#DEFINITION	Reference Metabolome for Phyllostachys edulis
#IDENTTFIER	RefMeta-Phyllostachys edulis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Phyllostachys edulis
#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 Phyllostachys edulis 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
59.06118	2.3
70.23909	1.8
70.79250	4.1
82.01438	4.4
82.99853	4.3
83.01499	15.9
83.02723	1.7
84.01205	2.3
100.02495	5.8
101.00891	53.1
101.02558	27.4
102.02229	3.2
119.01923	100.0
119.03619	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01864	0.8
55.05520	1.3
56.05021	0.4
56.96571	3.4
57.03457	1.0
58.06604	4.1
58.96166	0.3
58.99866	1.4
59.05000	1.5
59.06942	0.3
59.07391	1.7
59.52189	0.4
59.99936	0.9
60.95846	0.2
61.02918	0.4
62.01023	0.2
65.52180	0.2
66.00523	0.2
68.00266	0.4
68.02646	1.5
69.01931	0.4
70.79667	0.5
70.98116	0.6
70.99860	1.8
71.01337	0.3
71.04972	0.3
71.52189	0.4
73.02936	0.4
74.09711	0.3
75.01064	0.2
77.00867	1.6
77.78872	0.2
77.85548	0.2
78.00982	0.4
78.52966	0.6
79.01856	0.7
80.02891	0.2
80.52698	0.7
82.01448	2.4
82.99847	3.5
83.01502	5.1
83.04978	0.9
84.01197	0.8
84.04508	0.4
84.08123	0.3
84.53010	0.2
85.02912	1.5
85.51962	0.2
87.01906	0.4
89.00883	0.9
89.03459	0.6
96.02110	0.3
97.00156	0.4
97.05288	0.3
98.01294	0.5
98.04861	0.7
98.52697	0.5
98.54645	0.5
98.97599	0.8
99.04306	0.4
100.02493	4.0
101.00887	37.5
101.02550	12.8
101.05982	0.5
101.07929	0.3
101.99924	0.2
102.01021	0.4
102.02238	1.9
102.12817	0.7
103.02432	0.4
109.55692	0.3
115.01173	0.7
115.02454	0.5
118.03526	1.4
119.01926	100.0
119.03648	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	3.9
73.02894	4.4
79.05497	57.6
81.03415	10.3
81.07059	63.9
83.04965	8.5
83.08642	12.5
85.02907	26.2
85.06549	2.4
87.04465	3.5
90.88651	1.8
91.03954	7.8
91.05485	33.3
93.07049	50.7
95.04961	7.8
95.08607	45.2
97.02915	12.3
97.06544	5.1
97.10172	12.6
98.20749	3.9
105.07049	20.0
107.04987	4.1
107.08596	31.6
109.06569	3.2
109.10159	63.5
111.08078	3.5
117.07078	8.8
117.07778	2.2
119.08588	17.1
121.10130	20.4
123.08086	2.7
123.11713	7.1
125.09635	14.3
127.03924	3.8
129.05482	3.5
129.07036	4.0
131.08554	12.6
133.10120	11.3
135.08112	2.0
135.11725	14.1
137.09608	4.2
137.13200	2.4
143.08540	2.6
143.10690	3.8
145.04955	3.6
145.10133	13.1
147.11705	7.6
149.13261	7.5
153.12749	4.0
155.10678	4.2
157.10146	2.2
159.11650	8.8
159.12878	1.9
161.13280	5.6
163.05980	3.0
163.11185	10.0
173.11749	18.1
173.13275	6.3
175.14772	3.1
185.13106	2.1
187.14891	2.8
191.10637	2.7
193.12299	1.9
199.13237	6.5
209.11743	5.5
211.13177	1.9
227.12772	7.0
229.14360	49.5
229.16527	3.4
241.19501	2.5
243.21068	5.5
245.13713	2.3
257.13782	3.0
261.22165	19.9
267.15912	5.1
283.15387	3.5
289.21753	2.6
301.16486	14.9
315.23218	2.0
317.24661	2.8
335.25815	100.0
336.26160	2.7
374.91855	2.3
382.23584	2.0
399.23871	11.0
447.23700	2.9
477.35571	9.5
489.35828	30.2
543.36621	3.5
561.38025	9.4
579.38989	5.1
659.45166	43.7
660.45050	3.7
696.90094	2.3
885.13733	1.9
999.52905	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	1018.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04994	5.2
71.59814	3.3
73.02917	3.1
79.05501	74.3
81.03415	17.4
81.07059	100.0
83.04982	18.0
83.08621	21.8
84.04500	4.2
85.01048	2.6
85.02911	14.7
85.06564	4.2
91.05481	75.4
93.07047	79.1
95.04970	20.1
95.08614	47.9
97.02892	8.0
97.06532	20.3
97.10165	17.4
99.04457	5.0
99.08067	4.1
102.62604	2.9
103.05499	3.5
105.04546	5.6
105.07037	58.5
107.04963	18.0
107.08597	58.8
109.02877	3.9
109.06543	16.5
109.10152	22.6
111.08089	9.3
113.09619	4.4
115.05440	4.6
115.48880	2.4
117.07030	26.3
119.08587	40.4
121.06502	8.6
121.10158	26.9
123.08038	6.3
123.11717	7.6
125.09627	12.7
125.72646	2.5
127.03896	6.5
128.06267	3.4
129.07022	11.3
129.51782	2.8
131.08572	38.3
133.06493	7.6
133.10135	37.8
135.08051	10.3
135.11690	23.7
137.06076	2.9
137.09622	3.7
141.06999	7.1
142.07816	3.2
143.08562	9.7
143.13828	2.8
145.10126	34.8
147.11685	23.6
149.09618	20.5
149.13268	13.6
153.82623	2.6
155.08577	9.0
157.10146	8.6
159.08177	3.1
159.11705	26.8
161.09645	3.1
161.13263	7.8
163.11208	17.9
165.12778	5.9
169.10139	7.9
171.11716	8.8
173.04544	3.3
173.09715	3.0
173.13278	10.1
175.11218	3.3
177.03314	3.1
177.12801	7.6
179.14322	5.2
181.10120	3.3
183.11714	5.6
185.13234	2.8
189.11230	9.8
195.11899	2.5
195.13766	5.6
197.13315	7.3
201.23911	2.7
211.14838	4.2
227.12711	22.7
229.14497	3.0
229.19548	3.5
239.17905	4.7
247.20691	4.0
251.16380	2.7
255.15968	11.8
257.18997	19.0
267.15948	5.2
269.17496	40.1
275.20068	71.5
293.21191	5.8
331.22803	4.4
335.25696	3.5
349.23749	71.2
365.08731	3.0
367.24628	9.3
405.04663	3.6
423.27460	4.5
428.92825	2.6
433.30704	2.7
445.29486	5.0
447.30927	4.6
449.28827	16.0
463.30496	20.4
503.33542	5.5
525.35699	7.4
529.35199	11.6
543.36847	58.7
561.37567	11.2
595.43420	3.2
623.42975	25.2
641.43665	13.9
781.61444	3.3
1018.58484	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	102.0918
Annotation	3-Methylbutyraldehyde oxime
Peak:m/z	Relative Intensity
50.09710	1.0
51.41659	0.9
55.05502	2.9
56.04779	1.2
56.05041	23.1
56.55570	1.1
56.96569	49.7
57.03431	2.6
57.05818	2.3
57.07072	7.7
58.50540	7.0
60.04529	100.0
60.95856	12.0
65.03928	3.7
67.05505	7.4
67.51074	14.5
68.05037	1.9
69.05811	2.5
69.07073	54.5
70.01345	3.0
70.71699	2.1
70.72091	2.0
72.04517	1.7
73.05303	11.5
74.02455	2.0
74.06076	3.1
74.09697	1.1
76.51583	4.1
77.31226	1.2
78.52259	1.0
79.01861	16.0
84.04506	3.8
84.08136	2.1
85.02915	11.6
88.02381	6.3
102.05575	2.1
102.09185	38.2
102.09861	2.0
102.12823	2.1
102.77977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
56.04785	1.3
56.05043	22.6
56.96571	100.0
57.03448	6.0
57.05820	1.5
57.07070	5.4
58.06596	1.5
58.50544	10.8
60.04529	93.5
60.95855	21.4
65.03931	4.6
67.05505	6.6
67.50737	2.1
67.51074	24.3
68.85036	1.2
69.05801	3.4
69.07072	51.5
70.01326	5.6
70.06590	2.5
70.16637	3.0
70.17045	2.2
72.04514	1.5
73.05296	13.5
74.02441	4.4
74.06074	5.5
76.51586	8.6
79.01398	1.6
79.01858	33.3
79.52010	1.8
84.04501	4.6
84.08115	3.1
85.02905	24.6
88.02383	16.6
90.52621	1.8
102.05544	4.1
102.09182	41.2
102.12807	3.3
103.05464	2.7
117.59743	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	1022.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01330	0.3
71.59623	0.3
73.02907	0.5
79.05493	2.1
81.03419	3.9
81.07056	2.6
83.08628	1.1
85.02908	1.7
85.98537	0.2
87.67350	0.2
91.03954	0.7
91.05470	1.8
92.02467	0.3
93.07050	2.5
95.04950	1.5
95.08615	1.8
97.02908	1.6
105.07031	1.3
107.04945	0.5
107.08595	0.9
109.06512	0.3
109.10159	0.9
111.08070	0.4
117.06983	0.4
119.03554	1.4
119.08605	1.1
121.10152	1.0
123.11712	0.3
127.03931	0.3
129.07008	0.5
131.08556	0.9
133.10130	0.5
135.11705	0.6
136.06187	100.0
137.04616	1.5
137.06624	0.5
145.10129	0.5
147.11681	0.5
149.09691	0.2
152.05696	1.8
157.10139	0.6
175.11177	0.5
178.07233	0.3
193.12280	1.0
226.68864	0.2
241.24634	0.2
243.21251	0.2
261.22137	1.0
267.15881	3.6
298.11392	0.5
335.25848	3.7
346.19202	0.2
435.32291	0.2
527.37549	1.5
545.38544	1.8
680.43866	1.4
698.44861	4.4
842.49597	2.2
860.35724	0.3
860.50415	3.9
1004.54846	1.4
1022.54755	2.3
1023.54468	0.8
1056.51892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.8
51.02381	4.0
53.03950	30.0
55.01876	1.8
55.95671	0.6
56.96563	1.9
60.08162	1.1
60.95846	1.7
63.38443	0.6
63.68793	0.6
71.00247	1.6
77.03938	8.1
81.03428	3.4
95.04974	30.1
102.04681	5.3
102.96833	1.2
103.05474	100.0
104.05845	0.9
104.10753	1.6
105.04527	12.0
120.97912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02231	52.6
76.03988	2.2
79.05501	15.0
80.05007	1.4
81.03420	27.7
81.07061	16.6
83.04980	1.8
83.06089	1.2
83.08614	6.2
83.32221	0.4
84.04026	0.9
84.04506	13.3
84.05009	0.7
85.02895	1.9
85.04022	1.3
86.99052	2.0
88.02221	1.2
91.05486	13.5
92.01678	0.6
93.07051	12.5
95.04981	9.1
95.08614	10.6
97.02876	1.8
97.06537	1.5
97.10144	1.2
98.00605	0.6
100.02193	0.5
105.07035	9.1
107.04964	2.8
107.08607	7.6
109.06526	1.6
109.10146	5.0
111.04427	0.6
111.08067	2.3
112.07594	1.4
113.03466	0.7
114.03777	0.7
115.05448	1.1
116.01682	15.1
116.06239	0.7
117.07005	2.8
118.10799	0.6
119.08597	9.1
121.06512	1.2
121.10139	6.6
123.08060	1.3
123.11723	1.5
125.09638	1.3
129.07039	3.4
130.05013	9.2
131.04510	1.2
131.08566	5.9
133.06564	0.6
133.10124	4.7
135.11693	3.2
135.22046	0.6
137.09628	0.8
137.13223	0.7
141.04848	0.9
142.03209	6.8
142.07787	1.2
142.66451	0.6
143.08540	0.6
144.01158	8.8
145.10121	3.3
147.08041	1.5
147.11682	3.5
149.09659	2.5
149.13277	2.8
157.10168	3.4
159.11707	2.5
161.13239	1.4
162.02214	27.6
163.11191	0.9
163.14801	1.0
165.12703	0.8
167.73732	0.5
169.10100	0.7
170.02670	2.8
173.13272	1.2
175.11194	4.0
177.03262	3.3
179.04861	52.7
185.03839	0.7
187.05394	1.8
189.11302	0.7
193.12250	6.9
203.27663	0.6
215.04866	2.0
227.12756	0.7
233.05931	12.3
243.21098	1.2
245.05821	2.6
261.22134	4.3
267.12964	1.1
267.15921	23.6
272.06912	0.6
290.08038	1.0
291.06448	1.8
291.23007	0.6
301.25171	1.0
306.07590	0.9
308.09116	100.0
309.09329	1.5
317.24646	0.8
335.25818	19.7
405.61044	0.5
435.27155	0.7
453.33771	1.5
455.31494	0.7
470.14026	0.8
471.34381	0.8
508.47995	0.5
527.37396	10.5
545.38446	5.4
575.36267	0.6
637.43793	0.6
641.68317	0.6
834.45966	1.3
852.45807	2.2
869.46954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00674	1.7
76.02232	42.7
76.04004	4.2
79.05050	1.1
79.05498	16.1
80.05021	0.8
81.03422	24.3
81.07060	21.9
83.04974	1.9
83.06108	1.8
83.08627	7.1
84.04501	13.0
85.02901	1.6
85.04029	6.5
86.99059	2.7
88.02234	1.6
91.05486	13.9
92.01704	1.8
93.07050	16.1
94.78890	0.8
95.04971	9.8
95.08613	14.2
97.01122	1.1
97.02904	1.9
97.06534	1.9
97.10168	1.7
104.10753	0.8
105.07039	9.5
107.04955	1.5
107.08602	9.7
108.11877	0.7
109.06513	2.4
109.10144	5.9
111.02673	0.8
111.08080	2.8
112.03979	1.9
113.03518	2.1
114.03806	1.0
116.01692	12.7
117.07024	2.3
119.08586	8.4
121.06526	1.9
121.10143	6.8
123.08078	1.5
123.11710	2.4
127.03908	0.8
129.06987	2.3
130.05014	13.8
131.04515	4.3
131.08574	7.2
133.10112	5.4
135.08118	1.0
135.11713	3.9
136.07478	0.7
137.09622	1.6
142.03236	6.0
144.01154	8.7
145.06145	2.7
145.10150	3.8
147.08040	2.0
147.11670	5.5
149.09651	2.5
149.13295	2.6
153.06660	0.8
157.10149	3.2
159.11703	2.4
161.13269	1.5
162.02216	23.3
170.02725	3.0
173.13312	2.0
175.11198	2.7
177.03296	15.2
179.04868	49.3
181.06032	2.2
185.03835	2.4
187.05391	1.6
187.14796	0.9
189.03278	1.2
193.12233	9.5
211.13332	1.4
215.04941	2.1
227.12822	1.2
231.04390	1.5
233.05904	13.1
243.21149	1.5
245.05879	2.5
250.12743	1.6
259.20514	1.3
261.22141	7.2
267.15921	28.0
268.13605	1.1
268.16290	0.8
269.17462	1.2
276.15756	0.9
288.06357	1.3
289.04672	0.7
290.08121	1.0
291.06418	2.2
301.25101	1.8
306.07614	1.3
307.58066	0.9
308.09116	100.0
309.09464	1.8
335.25803	28.4
336.26129	1.5
396.19858	1.0
453.33633	1.9
527.37408	13.9
545.38416	8.1
656.41351	1.1
705.41425	5.1
723.41846	1.1
743.92224	0.9
759.41742	1.2
777.42407	1.0
834.46417	4.2
852.47144	7.0
941.99603	0.8
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
58.06601	5.5
59.07380	1.4
60.08167	49.9
69.03437	1.1
70.26906	0.7
71.63988	0.2
81.50317	0.2
83.45428	0.2
86.06080	0.8
86.09720	0.3
87.04469	3.1
104.10747	100.0
105.11068	0.3
118.46357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	5.2
59.07380	1.9
59.65427	0.3
60.08166	52.1
66.56532	0.3
67.11838	0.3
67.53469	0.3
69.03435	1.5
70.21330	1.0
70.21717	0.5
73.83554	0.3
86.06045	0.5
87.04480	2.4
104.10747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01142	1.6
73.02876	1.0
74.00659	5.9
74.02441	1.4
75.01441	1.2
75.02714	1.6
76.01807	1.6
76.02231	24.1
76.04002	9.3
79.05495	18.1
80.05024	11.4
81.03421	11.1
81.05802	3.4
81.07063	21.3
82.06580	4.5
83.04991	2.1
83.06106	9.6
83.08614	4.7
83.34937	0.9
84.04507	56.9
85.01132	57.8
85.02918	2.9
85.04026	7.7
86.00655	40.3
86.09629	0.8
86.99057	55.2
87.02683	3.1
88.02222	5.7
89.00582	0.9
91.05489	14.0
92.01732	4.2
93.07049	17.1
94.06565	1.3
95.04945	4.8
95.08604	15.3
96.04482	5.8
97.01119	14.7
97.02885	2.8
97.06525	1.9
97.10162	5.0
98.00641	7.3
98.06049	4.1
98.21404	1.8
98.99023	1.0
99.01439	1.4
99.02699	1.5
99.05595	3.9
100.02215	7.6
100.03977	1.0
102.00139	2.0
102.03770	37.5
102.05545	29.3
102.13036	0.9
105.04573	0.9
105.07038	9.3
106.06593	1.9
107.04958	2.4
107.06090	2.5
107.08592	9.3
108.04471	1.9
109.05288	1.6
109.06528	2.0
109.07654	6.0
109.10161	7.0
110.06033	2.7
111.02647	1.8
111.08062	1.3
112.02193	32.2
112.03960	7.4
113.00569	6.8
113.02896	1.0
113.03562	1.7
114.00122	3.3
114.03755	15.7
114.05547	3.3
115.02166	1.9
116.01682	30.6
117.07019	2.8
119.08573	7.6
120.04500	1.2
121.10147	6.3
122.06038	1.8
123.02692	1.2
123.08077	1.1
123.11701	2.1
124.02208	4.5
125.00565	2.2
125.09623	3.4
126.03767	3.5
126.05505	6.0
128.07100	2.0
129.06554	9.3
130.03259	15.6
130.05003	34.6
131.04497	5.2
131.08575	6.2
132.01170	3.5
132.04796	2.5
133.10126	4.7
134.06041	2.7
135.05582	2.3
135.11732	4.1
136.03967	3.1
137.09673	1.1
138.03731	1.9
138.05400	1.3
139.02170	1.2
139.03188	2.0
140.01668	6.5
140.06990	0.9
141.04840	1.6
141.06671	0.9
142.03229	44.6
143.02751	40.5
143.04561	2.5
143.08519	1.6
144.01157	8.2
145.06075	9.7
145.10117	3.8
146.02704	0.9
147.07880	1.2
147.11652	4.2
149.03864	2.6
149.09572	1.3
149.13216	1.7
150.03693	1.0
150.05521	1.2
151.02180	1.0
152.01672	3.9
152.37682	0.9
153.06572	7.0
154.14339	0.8
155.08180	10.3
156.06563	8.9
157.10138	2.2
158.02719	8.0
159.11676	2.3
160.00644	2.6
160.04353	1.2
161.13257	1.0
162.02206	16.4
162.05501	1.7
163.11214	2.9
165.31430	0.9
168.04814	7.2
168.06589	1.8
169.04326	7.9
169.06049	1.4
170.02773	6.7
171.02222	6.8
171.07722	2.0
172.04283	1.3
173.09283	5.0
173.13210	1.0
175.11148	1.3
177.03300	35.3
177.07347	1.1
179.04857	22.0
181.06094	8.4
184.06042	2.2
185.03812	7.5
186.02057	1.0
187.05383	1.9
188.03824	8.9
188.05424	1.5
189.03290	100.0
191.10736	1.3
192.06606	1.8
193.06117	1.4
193.12276	2.6
195.04314	1.7
196.04295	13.6
197.05716	1.5
199.05351	3.8
199.07199	5.5
199.13316	1.3
200.07866	1.3
201.08772	2.8
202.04063	2.2
203.09244	1.1
205.06432	39.8
208.04285	1.2
208.06096	2.1
211.07228	1.6
211.13213	1.3
213.03333	1.5
213.07117	1.4
215.04858	41.7
217.06392	5.5
224.03760	4.1
227.04807	6.3
227.12848	2.4
229.14355	1.5
231.04340	9.3
231.08035	1.8
232.05104	2.6
233.05914	36.1
238.06982	1.0
238.44147	0.9
240.03259	1.0
241.06535	3.5
242.11887	1.0
243.04422	2.2
245.05920	17.9
248.11093	2.8
257.07733	1.2
259.07562	6.3
259.20581	1.4
261.22244	2.5
266.12167	8.6
267.15863	7.7
269.05917	3.0
271.07529	1.2
274.10364	3.5
275.11215	2.9
284.13095	4.2
287.06946	16.6
288.06448	4.4
289.04785	1.3
291.06519	1.4
294.11691	2.1
299.06961	4.5
306.07544	15.3
307.08154	6.8
308.09070	7.1
312.12796	1.6
316.09842	1.3
317.08060	2.0
322.06964	1.0
323.14386	1.9
324.08511	1.2
333.23993	1.1
334.10678	23.1
335.11017	1.6
335.25815	30.2
336.26212	1.3
340.15787	1.6
341.15338	2.9
345.07477	2.4
362.10162	52.5
363.10706	1.0
369.14761	1.9
392.11209	1.7
413.17392	1.0
443.18927	1.5
461.19513	3.6
479.20685	1.4
527.37347	2.4
543.36969	1.3
608.24799	2.2
610.13049	1.0
618.38342	1.8
626.25702	1.1
636.39001	1.6
654.40186	2.9
703.39648	3.4
705.41034	2.5
721.41211	11.6
739.42072	29.6
740.41803	2.1
757.43262	13.7
775.41345	1.7
793.43243	5.9
796.53241	1.1
811.44275	7.8
850.44092	1.4
868.46289	11.6
869.46075	1.2
886.47290	55.0
887.46881	3.0
919.47784	1.5
964.46991	1.5
973.48621	1.2
1030.51196	1.6
1048.52002	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	1048.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00657	4.3
74.02449	1.7
75.02679	1.2
75.31206	0.9
76.02232	22.2
76.03998	8.4
79.05499	17.3
80.05022	12.1
81.03415	8.8
81.05785	3.8
81.07063	16.6
82.06570	3.5
83.04975	2.0
83.06112	9.4
83.08607	3.9
84.04511	49.0
85.01134	56.8
85.02896	4.2
85.04041	5.8
86.00658	40.4
86.99059	53.9
87.02671	3.3
88.02232	7.9
91.05484	14.1
92.01717	1.7
93.05787	1.1
93.07052	13.6
95.04984	4.8
95.08623	10.7
96.04487	5.9
97.01126	15.8
97.02884	2.3
97.06535	1.3
97.10162	3.4
98.00643	5.7
98.06064	4.6
98.20805	2.0
98.99017	1.3
99.01440	1.4
99.05578	4.3
100.02214	8.9
102.00131	2.0
102.03771	38.9
102.05551	26.3
104.01669	1.1
105.07030	9.4
106.06551	1.0
107.04936	2.4
107.06083	2.7
107.08604	8.5
107.85914	1.0
108.04478	2.4
109.05294	1.0
109.06511	2.7
109.07652	4.3
109.10159	6.8
110.06013	3.6
111.02665	2.0
112.02197	31.2
112.03944	2.6
113.00601	6.0
114.00097	1.8
114.03762	17.7
114.05480	3.1
115.02165	1.9
115.03174	1.0
116.01688	30.6
117.07032	1.8
119.08582	6.2
121.10133	5.4
123.02631	1.2
123.08035	1.5
123.11721	1.6
124.02151	5.5
125.00576	2.7
125.09618	3.5
126.03745	3.6
126.05515	4.2
127.03967	1.3
129.01205	1.4
129.06573	8.5
130.03252	17.4
130.05005	30.0
131.01721	1.0
131.04526	4.0
131.08557	4.2
132.01122	3.2
132.04759	2.3
133.10147	4.3
134.06024	2.9
135.05493	1.4
135.11682	2.7
136.03929	2.8
137.00513	1.2
137.09563	1.2
138.03767	1.2
139.02145	1.2
139.03252	1.9
140.01649	6.3
140.06990	1.0
141.04759	1.4
142.03235	49.5
143.02753	36.4
143.04446	1.6
143.08606	1.2
144.01134	7.8
145.06090	5.6
145.10103	2.9
146.02660	2.1
147.11670	3.4
149.09618	2.0
149.13229	1.3
150.03755	1.2
151.02109	1.1
152.01642	3.6
153.06551	6.2
155.08157	10.4
156.06580	9.3
157.10161	1.6
158.02728	8.5
159.11722	1.8
160.00661	2.2
160.04280	1.9
162.02211	13.4
163.11221	2.1
168.04814	8.0
168.06219	1.4
169.04295	7.9
169.05922	1.7
170.02731	7.3
171.02245	8.3
171.07790	1.1
171.11636	1.1
173.09262	3.8
175.01802	1.1
177.03316	16.5
178.03250	1.1
179.04886	17.5
180.05037	1.0
181.06070	8.9
182.06705	1.4
184.06081	1.7
185.03812	4.5
187.05382	2.7
188.03789	8.2
189.03294	100.0
192.06622	1.0
193.12230	4.2
195.04391	1.1
196.04289	13.1
199.05359	4.4
199.07190	4.8
199.13422	1.5
200.07785	1.4
201.08708	1.7
202.04089	1.6
204.08698	1.3
205.06425	35.1
208.06020	1.1
211.07137	1.8
213.06839	1.2
215.04863	45.0
217.06418	5.0
223.07895	1.0
224.03743	4.8
227.04866	4.4
227.12766	1.3
229.14348	1.4
231.04459	6.0
232.05161	2.3
233.05913	36.2
238.07283	1.2
241.06348	3.0
243.04373	2.9
245.05949	16.9
248.10977	2.6
256.09256	1.2
257.07761	1.2
259.07562	6.8
261.22311	1.8
266.12039	7.2
267.15964	4.9
269.05905	3.6
271.07294	1.1
274.10260	2.1
275.11057	2.6
284.13223	3.3
287.06995	15.3
288.06686	1.3
289.07434	1.5
291.06503	1.6
294.11761	2.0
299.06860	4.3
306.07645	4.7
307.08347	8.5
308.09021	7.2
316.09824	1.6
317.07901	2.0
334.06992	2.0
334.10687	24.6
335.25827	21.4
341.15244	3.6
344.09125	2.1
345.07516	3.5
362.10165	53.9
369.14706	2.6
387.15723	1.3
392.11179	2.5
443.18234	1.7
461.19482	3.4
489.35855	1.3
516.20642	1.5
534.20978	1.7
543.37329	1.0
600.37030	1.2
608.24597	1.6
618.38007	2.3
654.40503	2.2
703.39630	2.1
705.40735	2.2
721.41058	9.7
739.41962	25.0
740.42468	1.8
757.43146	12.5
793.42993	6.4
811.44025	7.3
868.45770	8.4
886.47345	53.9
887.46918	3.3
1048.53088	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	3.1
51.02384	11.7
53.00298	0.6
53.03950	80.5
55.01874	4.8
59.06935	0.4
65.00291	0.5
68.99810	0.8
70.11570	0.3
70.84655	0.4
70.84990	0.6
77.03932	23.4
79.05501	7.4
81.03419	10.0
83.51740	0.3
95.04972	100.0
96.05304	0.5
98.03712	0.5
103.05475	3.9
105.03407	67.5
105.04500	42.3
105.07029	14.4
105.11068	0.7
106.03699	0.8
115.31932	0.4
118.06551	1.1
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
50.01592	0.8
51.02370	2.5
53.03949	15.5
59.06926	0.9
61.08498	0.8
65.03938	1.6
71.61098	0.7
77.03941	3.6
78.04722	5.0
79.05495	52.6
81.03419	1.4
87.00826	5.2
95.04974	17.9
96.04478	0.9
97.28227	0.6
103.05473	32.8
104.90822	1.4
105.03391	2.3
105.04521	7.7
105.07032	100.0
105.11082	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	2.6
51.93007	0.9
53.03952	17.3
55.01876	1.0
56.74397	1.0
57.02923	0.9
57.34940	0.9
61.53987	1.0
64.34568	0.9
65.03932	3.1
71.40619	1.4
77.03909	3.1
79.05499	50.6
81.03413	1.6
95.04972	18.0
103.05471	30.7
105.03405	1.3
105.04543	8.4
105.07037	100.0
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
50.01614	0.9
51.02381	2.2
53.03952	15.2
53.79167	0.3
56.24482	0.4
56.96569	1.2
59.06932	0.4
60.08176	0.6
69.94151	0.7
69.94502	1.8
77.03925	4.4
79.05496	55.3
80.62240	0.3
81.03426	1.1
91.48193	0.5
94.48086	0.4
95.04974	17.3
98.21461	0.7
103.05473	40.8
104.90838	1.7
105.03394	1.6
105.04529	8.8
105.07034	100.0
105.11090	1.5
106.07372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02380	1.5
53.03951	14.1
55.01879	0.9
56.47752	0.5
58.06616	0.6
59.56733	0.5
65.03944	1.5
65.44709	0.5
68.74231	0.6
69.26481	4.2
69.26903	1.9
77.03931	3.6
79.05498	50.9
81.03424	1.3
95.04978	15.6
98.20770	1.0
103.05477	31.1
105.04564	5.5
105.07038	100.0
106.07341	1.1
121.67990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02378	1.2
53.03954	11.5
55.01888	2.0
56.96558	1.1
65.03943	2.9
67.05511	0.5
69.72496	1.9
70.75752	0.3
77.03940	2.5
79.05500	21.4
80.05019	0.7
81.03423	1.9
91.05489	18.1
95.04977	12.7
104.32578	0.3
105.04522	5.6
105.07030	4.7
106.04207	0.5
106.06570	1.0
107.04962	100.0
107.08607	5.0
108.04519	0.4
108.05306	1.0
108.08105	0.3
109.06531	2.2
119.06071	1.2
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	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01588	0.3
51.02374	1.2
53.03953	8.9
53.75057	0.3
55.01877	0.8
56.96570	3.6
58.81350	0.2
61.64895	0.2
62.99083	0.4
64.95576	0.4
65.03938	1.4
65.58068	0.2
66.00503	0.3
66.01448	0.2
67.05515	0.4
69.59042	0.6
69.59473	1.2
74.00295	0.4
77.03941	1.6
79.05499	100.0
80.05035	0.7
80.05844	0.8
81.03435	0.8
83.00809	0.4
84.01606	0.3
89.85591	0.2
91.05487	9.6
92.06282	0.3
92.39472	0.2
93.05772	0.2
94.52451	0.3
95.04364	0.5
95.04974	9.9
98.20798	0.6
98.97626	0.3
100.02492	0.4
105.04520	4.5
105.07039	2.8
105.54091	0.3
106.06581	0.4
106.96595	0.2
107.04966	23.0
107.08594	2.6
108.04504	0.5
108.08115	0.4
109.06527	0.7
119.06094	0.6
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
51.02382	0.7
53.03946	2.7
55.01862	0.7
61.97435	0.4
65.03946	15.2
67.05512	4.5
69.32169	0.5
73.04723	0.5
77.03938	0.9
79.05501	28.8
80.05024	1.0
82.12150	0.5
91.05487	100.0
92.05766	0.6
92.06306	3.0
95.04951	3.7
105.04513	1.3
105.07036	28.3
106.04204	0.6
106.06544	1.7
107.04966	9.1
107.07394	1.0
107.08599	27.7
109.06529	9.9
119.06072	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03950	1.0
55.01878	0.7
62.18679	0.2
63.02385	0.3
65.03945	12.8
67.05515	2.1
69.76174	1.5
79.05501	11.5
81.57375	0.2
83.03874	0.3
90.03481	0.2
91.05486	100.0
92.05797	0.5
92.06274	2.9
95.04956	1.5
96.07167	0.2
98.48334	0.2
103.05482	0.7
105.04559	0.6
105.07039	29.8
106.04184	0.9
106.07445	0.2
107.04956	2.7
107.08601	33.0
108.08906	0.3
109.06527	12.6
114.77193	0.2
119.06080	8.3
124.05231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50915	0.2
79.05457	0.2
81.07000	0.3
93.03295	0.2
93.07021	0.3
94.94506	0.2
95.08553	0.2
124.60543	0.2
136.06149	0.3
173.10359	0.2
225.76630	0.2
279.24683	0.2
335.25772	0.4
396.12347	0.4
397.12958	0.7
398.14108	0.4
399.14771	0.3
409.12894	0.4
410.13748	1.3
411.14612	2.7
412.15381	2.2
413.16101	1.3
423.09964	0.3
423.14636	0.8
424.11032	0.7
424.15335	1.4
425.16312	6.9
426.11264	0.3
426.16824	4.7
427.17441	1.5
428.18472	0.7
437.11462	1.1
438.12305	2.4
438.17990	0.5
439.13458	8.5
440.13470	0.4
440.19049	3.4
441.19327	21.2
442.19562	1.9
451.13354	1.0
452.14163	2.4
453.15298	10.5
454.15903	2.8
455.16562	0.3
456.13614	0.3
457.14944	0.6
463.14008	0.7
465.15540	0.7
466.16306	0.9
467.17157	16.9
468.17856	9.6
469.18985	7.4
470.18835	0.8
471.16946	0.3
472.17249	0.4
477.15897	0.3
478.16003	0.4
479.13416	0.3
480.17908	0.5
481.14713	10.7
482.15286	2.3
483.16220	0.6
485.18826	0.4
486.67126	0.2
494.15952	0.5
495.16516	12.3
496.16986	20.2
497.17795	3.0
498.19302	0.4
499.15555	0.4
499.20270	0.2
500.19537	0.3
508.19339	0.3
509.18304	1.7
510.18301	0.4
512.20642	0.7
513.18073	0.4
514.23145	1.4
522.17596	0.3
523.19897	1.0
525.17627	0.3
526.18390	0.2
527.22528	1.9
528.20007	0.9
536.19305	0.5
537.19012	0.9
539.19122	0.3
540.19952	0.5
542.21454	0.6
545.24194	0.4
551.19757	0.3
555.22461	17.9
556.22845	1.2
567.18579	0.3
568.19287	0.5
578.71362	0.2
582.21240	0.5
583.21924	57.0
584.22198	6.1
585.21484	0.3
586.20227	0.4
587.25464	1.0
600.21802	0.5
610.20508	0.5
611.21100	1.4
614.23822	0.6
615.24506	4.9
616.25012	0.3
628.20660	0.3
642.23236	15.7
643.23853	100.0
644.24005	6.6
1089.64673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02390	1.1
53.00330	0.5
53.03067	0.4
53.03949	17.8
54.43562	0.4
55.01880	6.1
55.05518	6.5
56.96565	1.0
58.10944	0.4
60.83184	0.4
65.03947	6.4
65.70149	0.4
66.04729	1.8
67.05508	57.1
69.07069	3.8
71.59393	0.7
79.05496	47.8
80.06264	0.7
81.03423	27.7
81.07059	52.1
82.06604	0.8
84.29797	0.4
87.00469	1.3
91.05483	12.8
94.04196	5.3
94.07829	1.3
95.04986	1.1
104.64110	0.4
105.04490	0.4
105.07076	0.5
107.04969	1.5
107.08620	1.9
109.02881	6.9
109.06524	100.0
109.10157	24.8
110.06059	3.7
110.06761	0.9
119.06142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.93874	0.4
51.02388	0.4
53.03949	14.2
55.01869	2.0
55.05516	9.8
62.74185	0.3
65.03946	5.0
67.05508	100.0
67.25613	0.4
68.05843	0.5
68.14238	0.4
69.07073	6.3
69.72723	1.5
70.49974	0.4
72.30009	0.4
79.05499	12.4
80.06278	1.7
81.03422	20.1
81.07059	33.8
85.46121	0.4
88.95153	0.4
91.05494	1.8
94.04178	1.3
94.07821	1.3
95.05013	0.5
105.06983	0.5
107.04962	0.6
107.08617	2.8
109.02882	6.4
109.06525	8.2
109.07674	0.7
109.10160	40.2
110.06033	0.9
110.09697	0.6
110.10460	0.6
112.16670	0.4
116.97556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
50.29573	0.3
52.01905	0.5
56.05023	0.5
58.06590	1.4
59.07369	0.9
67.02978	1.1
68.01376	1.2
69.03441	1.7
69.04556	9.4
69.55520	2.0
70.02955	0.5
70.06590	0.5
71.02451	0.4
71.85653	0.3
73.55653	0.3
84.04497	0.5
84.08157	0.7
94.04059	4.8
95.02456	28.6
95.06056	0.4
96.02817	0.3
96.09682	0.3
98.20739	0.5
100.02446	0.4
111.59560	0.3
112.05092	100.0
112.07609	2.6
113.02374	0.5
113.03481	0.4
113.05413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01896	0.4
56.96559	0.4
58.06588	1.1
59.07378	0.5
67.02984	1.2
68.01395	0.9
69.03423	1.9
69.04555	10.1
70.02934	0.4
70.06600	0.6
70.92358	0.3
70.92689	0.5
71.02473	0.5
80.43703	0.3
84.08146	0.7
94.04059	4.4
94.06578	0.3
95.02456	28.4
97.54765	0.4
100.02479	0.6
100.05061	0.4
112.05093	100.0
112.07600	3.9
113.00008	0.9
113.02353	0.7
113.03489	0.6
113.05459	0.7
118.01161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00307	1.9
54.18589	1.1
55.01872	3.0
55.05513	9.8
56.96573	1.9
57.03438	6.7
57.07081	58.5
64.84408	0.9
65.03951	13.9
67.01882	6.8
67.05511	100.0
68.05028	2.0
68.99802	0.9
69.03428	3.6
69.07071	3.4
70.02962	6.7
70.03764	1.1
70.06602	1.0
71.04999	22.2
71.59497	1.4
71.94112	4.7
71.95258	2.9
72.93797	30.0
83.04992	5.0
85.02908	3.0
85.06552	24.0
90.00130	1.2
90.94827	10.1
95.01330	4.9
95.04978	33.2
95.08614	2.9
96.00851	3.9
113.00056	11.2
113.02380	87.4
113.03490	11.3
113.06013	23.5
113.07155	1.4
113.07975	1.9
113.09673	1.1
113.10748	0.9
113.96436	2.1
114.02730	1.2
114.05559	1.3
114.09148	4.6
131.97392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01610	0.5
51.02369	1.8
51.02859	0.3
53.03951	14.1
55.01877	0.9
55.82038	0.3
56.96576	0.8
58.06603	41.6
59.07385	38.7
63.06500	0.3
65.03939	0.6
67.05531	0.4
69.26233	2.4
72.08167	1.5
72.56293	0.3
76.92937	0.3
76.93384	1.2
77.03934	3.3
79.05505	0.5
81.03413	1.5
91.05487	16.3
92.05814	0.6
93.07042	0.5
95.04975	18.5
98.20719	0.7
103.05466	0.9
104.06239	1.4
105.04523	8.7
115.05487	0.6
116.05820	1.1
117.05779	0.4
117.07040	2.5
118.06559	25.9
118.08659	100.0
119.06100	0.4
119.06925	0.3
119.08572	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01595	1.1
51.02390	4.1
53.03950	37.4
55.01862	1.8
56.62070	0.7
58.06604	39.9
59.07384	36.9
65.03952	1.1
72.08147	3.6
77.03938	7.4
81.03424	3.2
91.05489	10.0
95.04973	41.9
98.20782	2.2
103.05492	1.3
104.06301	1.1
105.04526	18.8
116.05791	2.7
117.07014	1.8
118.06555	51.2
118.07296	3.7
118.08659	100.0
119.08571	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	3.9
51.02394	6.8
51.02586	1.3
53.03952	49.9
55.01871	2.6
55.18831	1.3
58.06335	2.1
58.06603	39.1
59.07106	2.9
59.07389	41.6
71.15559	3.0
72.08165	6.7
77.03941	9.6
81.03411	4.2
91.05495	15.9
95.04977	58.3
103.05518	1.6
105.04527	27.7
116.05804	4.6
117.07002	2.2
118.06557	69.8
118.07296	4.2
118.08661	100.0
119.08595	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
56.05020	0.4
58.06602	38.0
59.07384	37.0
70.24552	0.9
76.90988	0.3
106.05050	0.3
118.08658	100.0
119.08979	0.8
123.56467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0868
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06601	35.5
59.07384	35.1
60.07724	0.2
63.07884	0.1
66.77903	0.1
70.98473	0.2
70.98798	0.1
80.84025	0.1
81.05923	0.1
82.45493	0.1
102.05524	0.1
118.08659	100.0
119.09000	0.5
120.03811	0.1
138.76944	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	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	40.3
59.07383	38.7
62.10176	0.2
63.89329	0.2
71.44598	0.3
72.08173	0.3
76.89260	0.2
118.08656	100.0
119.09003	0.6
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	Unknow
Peak:m/z	Relative Intensity
58.06604	38.7
59.07385	39.0
71.44557	0.6
80.67750	0.4
81.43833	0.3
91.41378	0.3
107.65134	0.4
118.08662	100.0
119.09007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
99.40639	0.1
128.50226	0.1
152.86313	0.1
197.10617	0.1
209.10742	0.1
220.09808	0.1
223.12225	0.1
249.13811	0.1
312.14966	0.1
326.16422	0.1
373.14597	0.2
380.46671	0.1
385.14279	0.1
387.16110	0.2
388.17050	0.4
389.17603	0.7
390.18765	0.2
400.17401	0.1
401.17545	0.4
402.18359	0.5
403.19174	1.7
404.20099	0.7
405.20728	1.2
406.21405	0.2
415.14865	0.1
415.19379	0.3
416.15579	0.2
416.20734	0.4
417.16516	0.6
417.21494	2.2
418.21857	1.4
419.22388	2.6
420.23013	0.2
429.21295	0.1
430.17300	0.6
430.22900	0.1
431.18219	6.1
432.18512	1.6
432.23901	0.5
433.24310	4.4
434.24655	1.1
444.18961	0.3
444.23987	0.1
445.19977	7.1
446.20737	3.9
447.21634	3.9
448.22409	0.2
449.23401	0.3
458.21387	0.1
459.21573	3.0
460.22571	7.3
461.23285	6.6
462.19202	0.1
462.23807	0.5
463.21344	0.1
464.22208	0.1
473.23907	1.7
474.24850	0.5
475.21100	0.1
476.26227	0.6
477.22211	0.8
478.23679	0.1
487.25256	0.8
488.25696	0.2
489.27246	0.4
491.19226	0.1
491.24155	0.5
492.25357	1.0
493.26108	0.3
503.25150	0.1
504.25970	0.1
505.22003	4.1
506.23053	0.3
515.23969	0.5
517.25806	0.2
518.23242	0.5
519.23798	0.9
520.24994	0.1
533.25500	27.9
534.25879	1.9
535.22131	0.1
547.27411	0.4
551.26678	0.1
561.25208	0.6
563.22644	0.2
564.23590	1.1
565.28363	0.8
575.26727	0.5
578.25519	0.2
592.26849	0.3
593.27576	100.0
594.27905	5.9
904.36707	0.1
963.21606	0.1
1213.51990	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	7.3
66.12978	3.2
67.05502	10.2
68.03053	3.3
69.03431	8.8
69.94096	15.8
80.02962	4.1
80.06258	3.7
82.01447	11.5
85.01394	4.1
91.05489	11.6
93.07048	4.5
100.02481	18.1
101.00890	41.0
103.02434	10.8
107.05251	15.2
113.72974	3.4
116.05788	9.1
118.03596	6.1
118.41708	3.6
119.01132	5.1
119.01935	100.0
121.03483	6.2
129.03937	6.5
137.02991	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03961	2.1
54.04276	0.4
59.07373	0.5
60.07732	0.4
65.03936	2.6
71.48326	0.5
71.48655	0.5
78.04715	0.8
78.39325	0.4
79.05499	3.4
91.05485	100.0
92.05826	0.7
93.07051	3.1
95.04968	1.4
96.05300	0.8
103.05476	6.0
104.06260	7.3
105.04501	1.0
106.04808	0.6
115.05470	3.3
117.06207	0.7
117.07031	13.5
119.04901	0.6
119.06842	1.6
119.08570	41.6
120.08875	0.5
121.69998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19564	0.5
53.03953	3.2
55.01876	2.2
55.05504	0.7
57.03422	0.4
65.03944	76.9
66.04268	0.8
67.05515	0.7
68.99795	0.6
70.70132	1.4
77.03942	0.6
79.05498	8.7
80.02664	0.9
82.43301	0.5
91.05483	6.9
91.25003	0.5
93.03411	11.9
93.03961	0.9
93.04543	1.5
93.05384	1.0
93.07048	11.7
95.04967	2.8
96.24539	0.5
98.03688	1.9
98.97555	0.6
103.05473	3.7
105.04551	0.9
105.07033	17.8
106.06594	0.5
106.07830	1.4
107.07340	3.0
111.04456	10.6
115.63772	0.5
119.08528	2.5
121.02895	100.0
121.04000	22.7
121.06465	3.2
121.10149	8.6
122.03210	1.2
122.09682	4.0
123.08100	1.2
133.07657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.6
53.03948	1.6
55.01868	3.7
56.96558	1.4
65.03942	67.5
66.03451	0.8
68.99781	2.3
69.03423	0.8
69.93364	2.9
71.01343	2.0
79.01849	1.3
79.05489	2.7
91.05476	4.9
93.03393	2.3
93.04532	5.5
93.07053	4.9
95.04961	1.7
97.02872	0.8
98.21488	0.7
98.97597	1.1
103.05471	2.7
105.04505	0.9
105.07040	3.1
107.07324	1.1
109.02876	0.7
111.04445	27.7
121.02864	100.0
121.03977	41.4
121.06521	4.4
121.10121	1.0
122.03227	1.0
122.09644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01593	1.9
51.02381	3.7
53.03695	1.5
53.03953	29.6
55.01877	7.1
55.05509	4.4
56.31800	1.2
56.96561	1.8
58.68191	1.1
65.03947	60.7
66.06747	1.1
67.05495	3.3
68.99803	1.5
71.61266	1.6
72.00464	1.2
77.03945	5.8
78.04718	24.0
79.05500	39.4
81.03434	3.0
81.07054	1.3
91.05486	100.0
92.05815	1.4
93.03407	4.3
93.04550	5.7
93.07053	58.1
95.04974	28.7
98.97585	2.3
103.05473	42.3
104.05821	1.4
105.03413	2.2
105.04525	11.3
105.07040	58.0
106.04182	11.7
106.07821	3.3
107.07343	8.6
107.89079	1.2
111.04473	10.0
111.82164	1.2
119.08601	8.3
121.02882	51.6
121.03998	24.0
121.06519	88.3
121.09296	1.9
121.10146	28.7
122.06055	1.4
122.09673	11.4
123.08060	2.9
133.07642	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03953	15.6
55.05519	10.6
58.29547	1.4
58.79090	1.5
65.03946	8.8
67.05511	37.2
69.44449	11.5
71.02161	1.6
77.03923	3.7
79.05501	100.0
81.03407	2.0
91.05487	36.0
93.04528	2.6
93.07053	95.3
95.04976	16.2
103.05480	20.0
105.04514	7.0
105.07039	72.9
105.07759	2.9
106.06560	1.8
106.07818	4.8
107.07352	20.6
119.08595	10.1
121.02873	6.9
121.03991	6.0
121.06526	16.9
121.08392	2.5
121.10151	58.3
122.09682	20.3
123.08099	4.5
133.07658	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	1.3
53.03947	10.0
55.01866	1.6
55.05500	2.4
56.96555	2.0
65.03599	1.1
65.03943	17.7
66.03488	1.0
66.98560	0.8
67.05502	1.5
70.91689	2.0
77.03922	2.6
78.04699	1.3
79.05497	42.4
80.06308	0.7
81.03397	1.7
81.07033	2.1
91.05488	28.1
93.03412	1.2
93.04532	6.0
93.07050	39.0
95.04974	12.8
98.97587	1.8
103.05476	24.4
104.05767	1.6
105.04538	5.1
105.07036	100.0
106.06628	0.9
106.07847	7.0
107.07336	16.2
111.04456	5.5
119.08585	13.0
121.02869	21.6
121.03987	13.6
121.04819	1.4
121.05762	1.2
121.06526	17.1
121.10147	51.2
122.08842	1.3
122.09682	19.2
122.10497	0.9
123.08070	9.2
133.07649	6.2
138.06766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	1.0
53.03948	7.8
55.01866	2.4
55.05502	2.3
63.98967	0.8
65.03944	71.0
67.05497	2.1
68.99775	0.8
69.03400	0.9
69.29937	5.2
69.30357	2.6
71.01348	0.8
77.03922	2.0
79.05497	31.9
81.07042	1.3
91.04956	1.6
91.05486	20.3
93.03408	10.2
93.04508	3.3
93.07053	33.4
95.04974	8.4
98.03648	2.4
98.20749	1.4
103.05475	14.6
104.05821	1.4
105.04507	3.4
105.07037	56.8
106.07802	3.4
107.07347	14.4
107.96744	0.8
111.04449	10.3
119.08593	8.2
120.05766	1.1
121.02868	100.0
121.03979	26.5
121.06509	7.8
121.08358	1.1
121.10146	27.6
122.03234	0.9
122.09676	14.7
123.08073	5.6
133.07613	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72077	2.5
70.58154	8.0
82.01453	42.8
100.02487	100.0
101.00895	14.4
101.02454	2.6
118.03526	29.0
119.01912	34.2
137.03006	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84437	0.8
53.03943	1.8
55.01858	1.5
57.03429	2.5
58.06589	1.6
58.99852	1.8
61.02932	1.2
67.05508	0.9
69.03419	2.4
70.17806	3.6
70.99835	1.0
73.02920	2.2
77.00879	0.8
78.03444	2.8
78.06337	2.4
78.52969	2.6
80.05018	16.6
81.03421	1.7
82.01450	42.0
82.99856	2.1
83.01526	1.6
85.02917	2.6
88.02673	2.0
88.52681	1.0
93.01902	1.7
95.04971	3.9
96.04499	4.7
97.02887	1.5
98.20724	1.1
98.21292	1.5
98.52679	1.3
100.02488	100.0
101.00887	13.0
101.02574	1.8
102.02311	1.3
106.02917	2.5
109.02953	0.9
111.02929	1.0
113.00864	1.7
115.02420	1.6
117.10246	2.3
118.03526	34.3
119.01923	31.5
123.05555	38.7
124.02501	1.0
124.03946	2.0
124.09998	1.1
124.11192	1.1
131.01892	3.9
137.02985	5.0
140.08792	1.0
142.03517	4.2
143.01871	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02374	0.2
53.03950	1.0
68.05038	0.3
69.03424	0.2
70.24072	1.0
78.03458	3.9
79.04212	0.3
80.05022	44.5
81.05357	0.3
82.01452	5.8
82.99854	0.5
85.02903	0.3
95.06097	0.5
96.04498	11.5
100.02489	11.8
101.00883	4.5
105.04492	0.2
106.02924	2.7
118.03532	3.7
119.01929	10.6
123.05559	100.0
124.03965	2.4
124.05879	0.9
131.01912	0.4
137.02969	2.1
142.03470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03948	15.5
55.01858	2.0
55.05261	1.5
55.05512	26.6
56.04771	1.2
57.07063	2.9
58.41171	1.2
65.03936	5.9
67.05506	100.0
69.03416	2.4
77.03931	2.8
78.03461	2.1
79.05493	54.8
80.05021	32.0
80.05772	1.4
80.06278	2.9
81.03403	3.2
81.07057	52.4
82.01441	12.0
82.06564	3.4
91.05488	5.0
93.07046	19.1
95.04364	1.6
95.04974	41.9
95.08607	99.9
96.04477	9.2
96.08131	4.2
96.08894	1.3
100.02487	39.7
101.00871	2.2
103.05462	1.6
104.39297	1.3
105.03368	6.5
105.04529	3.3
105.07043	13.8
106.07352	6.8
107.04958	4.2
108.05064	2.1
108.05742	25.0
108.07671	11.4
108.09356	2.2
112.03991	2.1
118.03529	13.0
119.01930	6.5
121.06499	2.9
123.04452	12.2
123.05556	60.1
123.08070	60.9
123.10001	10.2
123.11699	10.8
124.03949	10.1
124.07569	1.6
124.08400	1.6
124.11227	15.6
137.02998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.00305	1.0
53.03954	9.0
55.01868	1.8
55.05514	8.0
55.50400	0.8
56.96564	0.7
57.03444	0.8
57.07074	2.1
57.98067	0.7
64.74829	0.8
65.03946	3.4
67.05509	44.9
68.05032	1.1
69.03413	1.1
69.07053	1.6
69.24808	8.1
77.03928	2.2
78.03449	2.7
79.05498	23.8
80.05025	37.8
80.05779	1.4
80.06281	2.4
81.03432	1.6
81.07062	58.9
82.01446	11.1
82.06577	3.4
89.41592	0.7
91.05486	1.9
93.07051	9.3
94.07825	1.2
95.01373	1.1
95.04973	38.1
95.08611	56.1
96.04500	12.1
96.05151	1.1
96.05334	1.0
96.08131	3.5
100.02489	45.4
101.00896	1.6
103.05470	2.6
105.03366	1.0
105.04555	4.1
105.07040	17.1
106.02912	2.4
106.06673	0.7
106.07351	3.8
107.04967	10.6
108.05746	67.6
108.07681	4.7
109.00497	0.9
112.03975	2.8
113.06922	0.7
118.03528	22.9
119.01927	6.7
121.06519	11.8
121.10116	1.5
123.04466	8.7
123.05560	76.4
123.08075	100.0
123.09944	8.2
123.11709	11.6
124.03958	8.7
124.07583	1.3
124.08427	1.3
124.11237	20.1
125.06014	1.2
137.02956	2.8
140.03459	1.2
142.03456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
51.81242	0.5
53.03945	7.5
55.01880	1.8
55.05514	5.6
56.96568	1.1
57.03423	0.7
57.07076	5.1
65.03937	2.3
65.66605	0.5
66.04723	0.5
67.05508	25.0
68.05036	0.9
69.07068	2.5
71.60579	0.9
77.03934	1.3
78.03460	1.8
78.45522	0.5
79.05046	1.0
79.05499	21.3
79.05958	1.3
80.05023	33.9
80.05811	1.6
81.03427	1.8
81.07060	100.0
82.01452	10.0
82.06574	2.4
82.07388	1.1
83.80672	0.6
91.05518	1.0
93.07042	3.9
94.07807	0.7
95.01360	0.7
95.04976	32.5
95.08036	1.1
95.08609	18.5
96.04504	12.6
96.05133	1.0
96.05343	0.6
96.08136	3.1
100.02492	40.7
101.00880	2.6
101.02573	1.0
105.03392	1.1
105.04542	3.4
105.07023	1.8
106.02927	1.8
106.06709	0.6
106.07374	3.7
108.05739	3.8
108.07676	6.1
108.09371	1.0
112.03957	1.6
116.12306	0.6
118.03526	19.8
119.01928	15.4
119.03633	0.7
121.06526	0.9
121.10102	1.0
123.04457	10.2
123.05555	71.2
123.08060	12.9
123.09149	1.4
123.10000	7.4
123.11707	19.5
124.03966	8.7
124.05970	1.3
124.07595	1.6
124.11236	22.3
137.02985	4.7
140.03413	1.1
141.05048	0.9
142.03496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36253	0.3
59.17620	0.3
61.49401	0.3
65.91257	0.3
69.55553	0.3
70.24712	1.2
72.03648	0.3
82.01463	0.8
82.99842	4.5
83.01499	1.7
90.57111	0.3
100.02489	1.4
101.00890	41.8
101.02551	3.6
102.00986	0.5
102.02229	0.5
104.13753	0.3
111.00464	0.3
118.03532	0.7
119.01929	100.0
120.02019	1.7
121.02367	0.4
124.02480	0.6
133.03397	0.4
137.02965	19.3
138.03101	0.5
142.03513	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
57.16336	0.2
58.99860	1.0
69.46022	2.1
70.40636	0.3
70.99862	1.8
77.00903	0.8
78.06335	0.4
82.01443	0.8
82.99841	5.6
83.01527	1.3
84.01203	0.3
89.00903	0.6
98.20790	0.4
100.02497	1.4
101.00888	42.2
101.02550	2.5
102.00978	0.3
102.02244	0.5
103.00638	0.3
118.03542	0.3
119.01929	100.0
120.02000	1.8
120.03230	0.3
124.02450	0.9
124.03971	1.3
124.05911	0.4
124.11259	0.7
133.03439	0.6
137.02966	18.8
142.03517	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60024	0.2
58.99877	0.4
70.80514	0.3
70.80855	0.4
70.99859	0.5
78.06349	0.4
82.01440	0.4
82.99847	4.6
83.01537	0.5
87.58983	0.2
89.00897	0.3
100.02480	1.1
100.33212	0.2
101.00889	43.8
101.02541	1.3
102.00971	0.8
111.00539	0.2
118.03556	0.4
119.01927	100.0
120.02013	1.6
121.02345	0.4
124.02453	0.9
124.03973	0.5
124.11245	0.4
133.03488	0.3
137.02963	19.0
142.03510	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01853	2.8
55.05303	1.0
55.05517	11.3
56.96564	1.1
57.03421	2.8
65.03936	1.3
67.05486	3.7
67.67863	1.1
68.99794	22.0
69.03432	100.0
69.07051	2.8
69.23106	2.2
69.23507	8.7
71.01357	1.1
79.05492	11.8
81.07054	8.5
83.04975	9.0
83.08607	1.3
91.05483	8.2
93.38717	1.0
95.04946	1.2
96.08145	1.4
97.02908	10.2
97.06537	5.1
102.02222	3.6
105.07016	4.1
107.08595	14.5
109.06506	2.3
111.04374	1.1
120.02010	2.5
121.01708	1.0
125.02357	2.9
125.05967	3.8
125.09634	33.2
125.11572	4.3
126.05440	1.1
137.82559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05043	1.7
57.07079	78.1
58.07391	1.2
62.70430	1.0
63.81784	1.1
65.43037	1.1
69.03432	9.2
71.04689	2.1
72.08134	1.6
74.09721	51.8
75.10055	1.1
84.04508	8.5
84.08149	35.3
85.08501	1.7
87.80769	1.2
98.21062	1.5
103.05466	2.9
107.60539	1.1
110.80759	1.0
112.07613	26.1
130.06531	8.1
130.08653	8.7
130.15923	100.0
131.16260	1.9
144.24529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79097	0.6
53.03943	0.8
56.96563	2.3
60.60877	0.6
65.03943	0.8
68.95258	0.7
71.59709	0.7
84.04505	0.8
84.08144	1.5
85.04848	1.4
85.08469	9.1
91.05481	100.0
92.05833	1.2
98.01283	1.1
98.97585	1.1
103.05461	9.0
105.07106	0.7
113.07932	2.5
114.69640	0.6
115.05467	6.2
116.06239	22.0
124.52890	0.6
128.06223	1.8
128.98631	0.6
129.07007	15.2
131.04950	1.4
131.08566	76.3
132.08923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
53.17221	0.6
56.96567	7.7
57.03441	1.4
60.05637	1.1
60.25650	0.6
61.02917	0.7
65.03934	1.6
68.95296	0.8
69.03436	2.4
69.37843	1.7
69.38256	4.2
70.03762	2.8
72.08160	3.9
77.00758	0.8
84.08144	2.2
85.02901	1.7
85.04839	2.3
85.08472	9.1
86.09699	1.2
89.00787	1.4
91.05482	100.0
92.05804	1.2
95.04977	3.2
97.02343	0.7
98.01298	1.2
98.97607	4.3
103.05470	50.9
104.05006	1.1
104.05753	0.8
105.04506	1.1
105.07006	1.1
110.01293	0.6
110.97583	0.7
113.07256	1.1
113.07947	7.4
115.05463	9.4
116.06238	30.0
116.98591	1.5
119.01814	1.0
122.32051	0.7
125.96981	0.7
128.06194	1.1
128.98576	1.0
129.07011	15.6
131.04951	10.1
131.06909	3.1
131.08562	91.0
132.04449	1.8
132.08887	1.3
133.06509	1.5
133.13643	0.7
143.06065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
56.06035	0.7
56.57291	0.7
56.96571	2.7
65.03934	1.2
67.38249	0.8
69.80516	0.7
70.03762	1.0
71.05029	0.6
80.12674	0.6
83.00787	0.8
84.08148	2.8
85.04847	1.8
85.07909	0.9
85.08473	10.7
89.68661	0.6
91.05483	100.0
92.05814	1.5
98.01307	0.8
98.97565	0.9
103.05463	10.6
105.07024	0.9
107.01765	0.7
109.71083	0.7
113.07954	2.4
115.05465	7.0
116.06248	24.7
128.06235	1.8
129.07004	16.0
130.07353	0.7
131.04919	2.0
131.08566	83.0
132.08904	2.2
133.06479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
51.09574	0.2
53.03950	5.3
55.01886	0.4
56.96561	0.3
70.75650	0.7
72.93787	0.2
73.57057	0.2
77.03921	2.6
78.03455	0.5
81.03406	0.4
83.00786	0.2
86.09707	0.9
91.45353	0.2
95.04969	6.4
95.05547	0.5
96.04491	2.1
98.97631	0.4
104.04995	74.0
105.03421	1.7
105.04528	2.7
105.05249	0.5
105.07031	0.8
128.98535	0.3
130.04066	0.3
132.04456	100.0
133.04785	1.0
133.06380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02383	1.0
53.03947	6.1
54.14704	0.3
55.01862	0.6
59.29235	0.2
61.04618	0.2
70.75818	0.7
77.03927	2.7
78.03463	0.3
81.03413	0.7
86.09683	0.5
95.04974	6.8
95.05547	0.5
95.14610	0.3
96.04487	1.4
101.84873	0.3
104.04995	74.9
105.03435	1.6
105.04529	2.7
105.05313	1.1
105.07052	0.5
132.04457	100.0
133.04814	1.5
133.06438	0.4
144.17284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.4
50.91742	0.2
51.02380	0.8
53.03950	5.6
55.01867	0.4
56.96568	0.3
61.73879	0.2
71.03221	0.6
77.03926	2.5
78.03459	0.5
81.03413	0.7
95.04970	5.9
96.04478	1.7
104.04995	74.5
105.03431	1.7
105.04522	2.9
105.05322	0.8
105.06990	0.5
111.46056	0.2
132.04456	100.0
133.04816	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.31348	0.3
51.02395	1.0
51.57203	0.3
52.53582	0.3
53.03949	6.1
55.01874	0.8
55.05510	0.3
56.96569	1.2
61.28556	0.3
69.07073	0.5
70.06611	0.3
70.90306	0.6
70.90638	0.3
72.93790	0.3
74.41076	0.3
74.95457	0.3
77.03934	1.8
78.03432	0.4
79.05495	0.7
81.03423	0.6
84.08156	0.5
86.00655	0.8
86.09715	2.2
90.90391	0.3
91.05487	2.6
92.05827	1.1
93.07040	0.5
95.04364	0.4
95.04973	7.3
96.04487	2.0
103.05479	0.7
104.05000	77.8
105.03413	2.2
105.04524	2.9
105.05247	0.6
105.07034	8.2
110.27745	0.3
115.05453	0.7
117.05772	0.5
119.14540	0.3
123.07938	0.3
130.07336	0.4
131.08589	0.5
132.04460	100.0
132.08096	1.0
132.08940	1.2
132.10159	0.7
133.04765	1.5
133.06493	2.9
133.10129	2.8
149.00917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03952	5.0
56.96566	1.2
69.66591	1.1
69.67009	0.8
72.93797	0.4
77.03923	2.0
78.03443	0.5
79.05515	0.3
81.03416	0.7
84.08124	0.3
86.09698	1.4
91.05490	0.6
95.04971	6.1
96.04505	1.9
98.21465	0.4
98.97601	0.3
104.04996	74.2
105.03419	1.7
105.04526	2.9
105.05329	1.0
105.07034	2.2
110.97566	0.3
117.05779	0.5
123.07948	0.3
132.04456	100.0
132.08090	1.2
133.04800	1.8
133.06448	0.6
133.10104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
50.71448	0.5
52.23240	0.6
53.03934	1.3
54.03482	0.6
56.96559	1.1
69.03429	0.5
70.91656	1.1
72.93776	0.7
79.05499	1.3
86.09703	3.4
89.00765	0.9
90.90378	1.9
91.05495	3.2
93.05775	1.7
95.04999	1.2
103.05482	1.4
104.05003	6.7
105.07030	12.0
107.01872	0.6
109.60617	0.6
115.05460	18.6
117.05767	58.8
118.06109	0.8
126.85048	0.5
128.98747	0.6
130.06529	7.3
131.07335	6.5
132.04459	8.2
132.08098	100.0
133.06520	1.5
133.08441	2.2
138.53586	0.6
143.06039	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06607	47.7
59.07389	30.8
67.26865	0.3
68.87683	0.3
69.07106	0.5
70.52315	1.3
71.14975	0.3
72.08169	0.6
79.40458	0.3
86.09715	2.5
88.07613	0.3
98.06077	0.8
101.74867	0.3
103.12431	0.3
105.68124	0.3
115.08701	0.4
132.10219	100.0
133.10565	0.6
141.58998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06596	4.4
59.07381	2.9
69.07066	2.5
70.26637	2.0
77.26360	0.8
80.81217	0.6
86.09710	100.0
87.10022	0.8
98.20857	0.8
132.10202	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03944	3.3
55.01881	2.9
55.05510	1.6
56.96552	2.1
60.46512	0.6
63.73527	0.6
66.04711	1.2
66.74068	0.6
67.05489	1.2
71.35912	0.8
71.36240	0.6
76.11191	0.6
79.05046	1.2
79.05495	15.9
81.04537	1.4
82.05304	0.9
90.04677	1.6
91.05482	14.3
92.02628	0.8
93.07056	1.3
95.04983	3.5
96.01581	0.7
103.05473	12.7
105.03391	1.6
105.07033	100.0
106.06626	1.0
106.07361	1.4
107.04938	0.9
111.17554	0.5
112.02210	3.5
113.02976	2.0
115.05466	5.7
117.07037	2.3
118.04177	8.3
118.07827	1.8
123.07944	5.2
126.43678	0.7
131.04941	1.9
131.08565	3.5
133.02911	1.4
133.06500	61.3
133.07449	2.1
133.10127	19.4
134.05974	1.3
134.06914	1.1
144.04837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02368	0.8
53.03946	2.6
54.03477	0.4
55.01866	2.2
55.05513	3.6
56.96559	1.6
57.12124	0.4
65.03941	0.6
66.04716	0.9
67.05478	0.7
69.03412	0.7
69.34227	0.5
69.34515	4.2
77.03928	2.6
77.04338	0.5
78.04704	1.1
79.05495	13.2
81.04536	1.3
90.04684	2.3
91.05485	19.1
93.07049	3.2
95.04962	2.8
98.21043	2.1
103.05467	8.9
104.05008	2.8
105.03411	3.2
105.07030	100.0
106.06552	3.7
106.07359	1.8
107.04900	0.5
112.02197	1.9
113.02975	1.4
115.05453	5.7
117.07021	4.3
118.04164	6.1
118.07811	3.7
123.07941	3.3
124.08264	0.6
127.95154	0.6
131.04903	0.6
131.08583	6.0
133.02914	2.2
133.05237	4.4
133.06494	42.1
133.07419	1.5
133.10127	33.5
134.06007	3.7
134.06883	0.6
134.10478	0.7
144.04762	0.8
148.96948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02371	0.7
52.15753	0.5
53.03942	3.1
55.01870	2.1
55.05509	1.9
65.03952	1.0
66.04720	1.6
66.91484	0.5
67.05500	1.3
69.27523	5.3
77.03925	1.1
77.46444	0.5
78.04718	0.6
79.05494	16.5
79.05959	1.0
83.74812	0.6
89.03914	1.2
89.91644	0.5
90.04697	3.6
91.05478	17.0
92.72406	0.6
93.07040	3.0
95.04972	3.0
98.21508	1.1
103.05469	12.4
105.03404	1.9
105.04522	1.4
105.07032	100.0
106.07384	1.4
107.04947	1.0
107.08562	0.8
107.57608	0.6
112.02199	1.6
113.03001	1.0
115.05447	7.4
115.30444	0.6
116.06232	1.5
117.07034	4.7
118.04161	9.3
118.07826	6.0
121.15971	0.6
123.07970	2.1
131.04961	1.0
131.08565	5.5
133.02861	1.5
133.06497	57.1
133.10133	48.0
134.06850	0.9
134.10435	0.8
144.04762	0.8
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
53.03942	1.9
55.05513	3.4
67.05520	1.5
69.48581	4.6
70.67111	0.5
77.03937	1.0
78.29022	0.6
79.05499	10.0
91.05487	26.5
93.07048	7.3
95.04971	2.4
98.20785	1.4
103.05463	5.9
105.07036	72.5
106.07325	1.2
107.08631	1.7
112.02174	1.0
113.13277	0.5
115.05473	8.3
116.06222	2.2
117.07021	8.7
118.04194	0.8
118.07809	10.6
123.07910	0.6
129.06998	0.7
131.08583	8.9
133.06526	7.9
133.10136	100.0
134.10492	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05518	3.4
57.55485	0.5
59.86243	0.5
60.59310	0.5
65.03931	0.9
67.05516	0.8
70.42909	0.5
70.71279	1.1
70.71609	0.6
77.03949	0.4
79.05498	10.0
83.25031	0.4
89.19969	0.4
91.05482	26.3
93.07054	5.6
95.04983	2.0
102.60884	0.5
103.05465	5.2
105.07036	74.9
106.07355	1.2
107.08601	1.7
112.02187	1.1
113.02987	0.6
115.05463	8.6
116.06235	1.8
117.07023	9.8
118.04161	0.8
118.07811	9.7
123.07973	1.3
131.08569	8.5
133.02832	0.8
133.06540	8.2
133.10135	100.0
134.06079	1.1
134.10480	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02378	0.3
51.16200	0.2
53.03947	1.3
55.01883	0.3
55.05508	1.3
56.96566	0.8
65.03941	0.7
67.05517	1.5
71.48790	0.4
77.03936	0.5
79.05496	9.0
79.05956	0.5
80.05815	0.3
81.03414	0.3
81.04558	0.4
82.05322	0.3
91.05486	25.9
92.05799	0.6
93.07056	1.7
95.04990	1.6
102.00227	0.2
103.05476	5.3
104.06277	0.3
105.03410	0.6
105.07036	100.0
106.06685	0.4
106.07343	1.4
107.08564	0.5
112.02193	1.0
113.02946	0.5
115.05473	2.2
116.06232	0.5
117.07037	1.4
118.04189	0.4
118.07817	1.7
123.07967	2.0
131.08572	3.9
133.02811	0.5
133.06490	8.8
133.07602	1.9
133.10135	22.3
134.06015	0.5
134.10455	0.3
144.04742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.34319	0.4
53.03938	2.1
55.01852	0.7
55.05518	3.1
65.03948	0.6
67.05494	0.8
69.48280	1.4
69.48705	2.3
73.42825	0.5
77.03921	1.0
79.05494	8.8
82.35873	0.6
91.05482	23.1
93.07060	5.6
95.04965	1.5
103.05482	5.0
105.03374	0.6
105.07037	65.3
106.07352	1.5
107.08598	1.0
113.02950	0.7
115.05470	7.4
116.06238	1.7
117.07025	7.8
118.07802	9.0
123.07913	0.5
129.07037	0.9
131.08583	8.9
133.06546	5.4
133.10136	100.0
134.10461	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.7
53.03940	2.4
55.05520	4.3
64.44496	0.6
65.03943	1.1
67.05490	1.2
70.89214	0.7
70.89525	1.0
77.03920	1.7
79.05495	13.1
91.05482	33.4
93.07057	7.0
95.04967	2.0
103.05473	7.8
105.03403	1.6
105.07033	98.0
106.06549	3.9
106.07276	1.0
107.08575	1.7
112.02215	1.1
115.05459	9.0
116.06243	2.0
117.07024	10.2
118.04154	2.1
118.07820	9.4
123.07956	1.6
129.07053	0.8
131.08574	10.3
133.02892	0.9
133.06517	12.9
133.10132	100.0
134.06033	8.4
134.10478	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.06446	0.6
52.46357	0.6
53.03948	1.4
55.01876	0.7
55.05525	3.2
65.03949	0.6
67.05506	1.0
69.30637	5.7
70.80141	0.6
77.03941	1.3
79.05495	10.1
91.05484	28.9
92.05805	0.8
92.44419	0.5
93.07042	4.9
93.07567	0.8
95.04979	1.6
103.05475	6.1
104.05031	1.7
105.03410	2.0
105.04536	1.3
105.07035	74.7
106.06563	3.4
106.07295	1.2
107.08608	1.2
107.40478	0.5
115.05472	7.7
116.06229	1.8
117.07025	10.4
118.04161	0.8
118.07809	10.1
123.07966	1.1
124.11230	0.6
129.07030	0.6
131.08575	9.3
132.48808	0.6
133.05238	2.7
133.06497	5.8
133.10136	100.0
134.06036	4.5
134.10475	1.2
145.35315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02375	0.9
53.03946	2.5
54.03468	0.7
55.01869	1.4
55.05512	4.0
56.96556	0.6
65.03931	0.9
67.05510	1.2
70.02977	0.6
70.87329	1.3
74.02450	3.7
77.03917	1.4
79.05492	11.2
81.04530	1.3
82.05321	1.0
85.58498	0.5
87.05598	0.7
88.02267	0.6
91.05483	27.7
92.05798	0.6
93.07045	5.8
93.47461	0.6
95.04967	2.3
96.31335	0.6
103.05477	7.2
105.03391	2.0
105.04559	1.5
105.07031	100.0
106.06619	0.7
106.07383	1.5
107.08624	1.3
112.02163	2.8
113.02937	1.2
115.05445	7.2
116.06230	2.1
117.07011	7.3
118.04176	1.7
118.07809	6.9
123.07932	4.9
124.15977	0.5
131.08562	11.0
133.02844	2.3
133.05034	0.9
133.05380	0.9
133.06506	17.9
133.10129	66.1
133.77031	0.6
134.05992	2.1
134.10461	1.7
145.92831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.6
58.99848	1.5
61.02922	1.1
69.03412	1.2
69.56938	6.0
70.50666	2.0
70.99849	0.8
71.00716	0.8
73.02930	2.5
77.00898	1.2
78.52966	1.9
79.05508	1.1
79.51180	15.2
80.01221	3.7
80.51052	1.9
81.03416	1.3
82.01449	3.4
85.02910	1.9
86.52689	3.1
88.02685	2.2
88.51701	53.9
89.01742	11.8
89.51569	11.0
91.01979	1.5
91.51948	1.5
93.01889	1.8
93.53459	1.7
95.53235	1.6
97.52216	3.9
98.02261	0.9
98.21514	0.9
98.47947	1.0
98.52093	1.2
98.97650	1.7
99.53462	2.0
100.02489	15.0
100.52550	2.0
101.00892	11.3
101.02407	3.0
102.00981	2.2
102.02381	4.0
103.00657	1.3
107.04908	1.0
107.98211	3.5
109.02956	0.9
111.02936	4.4
113.00859	1.6
115.02442	0.9
116.98694	9.9
117.48767	2.2
117.98557	2.7
118.03532	2.4
119.01923	17.5
119.48968	10.5
119.99017	1.8
120.02032	3.9
120.48857	2.5
121.01639	5.1
122.53699	1.1
124.02461	3.5
125.99241	17.9
126.49284	5.2
126.99082	4.1
128.49503	54.5
128.99541	18.6
129.03979	1.1
129.49359	16.0
130.99786	1.4
131.01894	3.4
134.05910	1.5
135.50163	0.9
137.02957	2.9
137.50021	100.0
138.00063	31.3
138.03026	1.1
138.49887	26.0
139.00142	0.9
140.00291	6.2
140.50345	1.7
141.00162	1.6
142.03519	13.3
143.01891	1.7
143.03625	3.2
144.03226	2.3
145.03545	0.9
146.50578	1.1
147.05011	1.2
149.00827	7.2
149.50838	1.9
150.00664	2.3
154.03546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03946	8.7
55.01867	1.1
63.02369	4.1
69.52081	1.1
69.76830	5.4
77.03910	2.0
79.05497	38.8
89.03925	81.4
91.05468	9.9
93.07033	6.9
95.04975	7.3
105.04517	3.1
105.07040	3.5
107.04958	20.0
107.08599	10.7
109.06523	0.9
109.50028	1.1
115.05470	1.8
117.03394	29.5
117.07025	1.8
119.08608	1.7
133.02853	2.2
135.04424	100.0
135.08064	7.8
135.11711	2.3
136.02164	3.8
136.04826	1.6
136.06183	7.0
136.07111	1.0
136.07600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03946	5.7
55.01873	14.5
55.05496	3.9
56.96553	4.5
57.03431	1.6
65.03941	11.0
67.05508	8.9
69.03427	14.8
69.07064	1.2
71.42005	1.5
77.03918	2.1
79.05494	63.1
80.04993	2.3
81.07059	4.5
89.03950	2.1
91.05481	100.0
92.06265	3.2
93.07048	25.2
94.04096	1.4
94.06564	1.2
95.04974	9.3
95.25288	1.1
105.04544	3.2
105.07027	35.7
107.04955	12.6
107.08595	58.8
108.04541	1.1
109.01107	2.1
109.06516	12.1
112.01025	2.9
112.03944	1.2
115.05463	26.4
116.06300	1.0
117.07007	21.2
119.03545	4.3
119.06046	8.7
119.08585	5.4
120.05740	1.2
121.01551	4.3
135.04416	9.1
135.05511	2.8
135.08057	41.3
135.09105	2.4
135.11711	11.3
136.02168	26.9
136.05211	1.7
136.06181	47.3
136.07535	4.2
137.04605	2.4
150.57207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02378	1.5
53.03955	11.1
55.01854	4.4
55.05514	11.1
56.96560	4.3
65.03937	4.6
67.05167	2.3
67.05509	42.5
68.33335	1.3
69.07072	10.0
69.22608	5.8
69.23035	7.8
69.94668	1.3
77.03938	1.8
79.05497	80.6
81.07056	34.5
89.03917	1.8
91.05485	47.9
93.07049	100.0
94.04038	2.5
95.04982	10.6
96.19337	1.3
97.00507	1.4
98.02057	1.2
98.20675	2.0
98.97588	1.9
103.00532	1.5
105.04520	4.4
105.07030	16.9
106.01039	1.9
107.04943	10.8
107.08602	68.9
108.08907	1.5
109.01109	1.7
109.06526	3.5
112.01041	2.2
112.03983	1.2
115.05471	3.5
117.06995	4.1
119.03539	5.1
119.06036	2.9
119.08601	11.8
120.09358	3.6
121.01546	4.9
121.46865	1.3
133.10115	1.5
135.04416	10.4
135.05551	3.9
135.08058	19.7
135.09077	2.5
135.11694	51.8
136.02176	27.9
136.03200	0.8
136.06192	47.6
136.07553	4.5
136.12106	1.4
137.04614	4.3
146.99495	1.4
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
51.02375	0.9
53.03950	6.3
55.01885	0.9
55.05519	8.5
63.92467	0.9
64.50541	0.7
65.03934	3.6
67.05502	3.3
67.95549	0.8
69.07058	3.4
69.21466	1.9
69.21870	7.8
74.22615	0.9
77.03944	2.2
79.05501	23.2
79.08105	0.8
81.07051	2.1
81.88058	0.9
91.05489	63.2
92.06277	1.3
93.07050	46.7
94.07864	1.0
95.04971	6.7
95.08595	1.0
102.14301	0.9
103.05511	1.6
104.06264	1.2
105.04520	2.9
105.07038	33.3
106.04163	1.2
106.07862	1.9
107.04971	1.7
107.08602	100.0
108.08936	1.5
109.06527	8.2
115.05461	2.4
117.07024	3.7
119.06071	4.9
119.08591	24.0
120.09374	7.4
125.39046	0.9
133.10110	2.2
135.04433	1.8
135.08076	7.2
135.11705	28.2
136.06184	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.22686	0.8
51.02378	1.7
51.05040	1.0
53.03952	6.9
55.01880	1.0
55.05519	9.9
57.07080	1.1
65.03941	2.4
67.05483	2.7
69.07059	3.8
69.55874	4.2
69.56281	2.5
77.03926	1.7
79.05059	1.6
79.05499	24.7
81.07076	4.7
89.03926	2.1
91.05486	58.6
92.02619	1.0
92.06296	1.7
93.07052	57.6
95.04987	8.9
95.08633	1.1
103.05476	1.6
105.04524	3.3
105.07037	26.7
107.04962	4.0
107.08604	100.0
109.06515	6.9
115.05437	1.4
117.07037	4.0
118.06537	1.0
119.03542	1.2
119.06096	5.3
119.08579	12.6
120.09389	5.0
133.10123	1.1
135.04428	7.7
135.08054	6.7
135.11710	30.2
136.02180	5.8
136.06209	5.9
136.07521	1.2
147.09131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01879	0.6
56.96579	1.5
57.03439	0.3
58.99862	2.5
65.03937	0.6
67.05505	0.5
69.03417	0.7
70.02161	0.2
70.39758	0.8
71.01350	0.3
77.00912	1.3
78.52957	0.3
79.05503	0.5
80.05002	0.5
80.51054	0.5
81.03387	0.4
81.07067	0.5
81.50921	0.8
82.01447	0.8
85.01431	0.5
85.54551	0.2
86.52720	0.3
86.55432	0.2
89.51576	2.7
90.01632	0.5
90.51452	2.7
90.52964	0.3
91.05478	0.9
91.53756	0.5
92.02618	1.9
93.03393	1.0
93.05757	0.2
93.07053	0.7
94.99832	0.8
95.01913	0.4
95.04932	0.6
98.21526	0.3
98.97600	0.4
100.02499	3.5
101.00880	0.8
101.02546	0.6
101.52144	0.4
102.02231	1.2
102.03406	0.2
103.02456	2.1
104.01072	0.5
104.52704	0.3
105.07024	0.4
105.53416	0.3
107.04993	0.3
108.04395	0.2
108.54086	0.2
109.51780	0.2
110.52676	5.6
110.54436	0.3
111.02809	0.7
112.03732	0.4
112.53158	0.3
112.55965	0.2
113.00887	17.0
113.01619	2.0
113.05221	0.3
115.01179	0.9
115.02483	0.6
116.79776	0.2
117.04006	0.3
118.03505	2.0
118.06527	0.5
118.98425	0.7
119.01943	2.2
119.03556	0.5
119.04937	0.2
119.53203	0.3
120.02103	0.5
120.03296	0.3
121.01644	0.3
121.03567	0.5
121.48700	0.8
122.02137	2.8
122.03499	0.4
122.52324	0.2
122.53674	0.3
124.52411	5.3
125.02535	1.3
127.02346	0.2
127.98949	2.3
129.99434	0.5
130.49199	3.8
130.61415	0.2
131.01917	100.0
132.01973	2.1
133.02336	0.5
133.03333	0.2
133.52937	2.6
134.03027	0.5
136.02185	5.3
136.03943	0.3
136.06212	1.3
136.07587	1.2
136.08578	0.2
137.05959	0.3
138.99905	0.6
139.49747	9.2
139.99835	0.7
141.02733	0.2
142.00056	0.4
142.03526	0.4
145.03494	0.9
147.01416	0.6
149.02983	21.4
150.03131	0.7
151.00592	0.6
154.03499	3.8
154.94228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
56.96570	0.3
58.99868	0.3
59.68866	0.2
67.02977	0.3
69.72984	0.4
69.73392	1.5
77.85632	0.2
91.05494	2.0
92.02497	0.7
94.04063	3.9
98.21424	0.2
100.02457	0.5
108.94148	0.2
109.05122	0.7
111.34473	0.2
113.00875	1.5
119.03555	13.8
119.04922	0.5
131.01917	4.8
133.98126	0.2
136.06194	100.0
137.04599	6.2
137.06512	0.9
149.02957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
52.34127	0.2
55.45229	0.3
66.43974	0.2
67.02982	0.6
70.25909	1.0
82.54912	0.2
91.05495	0.5
92.02496	0.6
94.04063	4.1
98.21376	0.3
109.05138	0.9
112.05087	0.3
117.63550	0.2
119.03560	12.8
131.01930	0.4
136.06195	100.0
137.04591	5.4
137.06500	0.9
146.23723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.07560	0.9
52.36387	0.9
53.03938	2.5
55.01864	1.2
58.02963	66.4
59.11665	0.9
65.03927	2.6
67.05488	3.9
69.03432	1.0
69.60637	3.4
69.61053	2.8
76.04020	2.2
79.05497	13.0
80.05017	1.9
80.05824	2.5
81.03407	1.2
81.07068	4.7
81.40505	0.9
91.05482	52.2
92.05804	3.8
92.06297	2.0
93.05773	4.1
93.07043	3.3
94.04146	6.9
94.07377	3.0
95.04956	3.0
95.08617	2.6
98.21430	2.1
98.60405	0.9
104.05023	1.9
104.06244	3.6
106.07327	1.4
107.04987	1.6
108.04511	1.7
108.08113	2.9
108.08937	4.3
109.01102	5.6
109.06516	3.0
109.10151	1.5
117.05768	3.4
118.05679	1.5
118.06545	43.3
119.03545	6.4
119.07329	100.0
120.07645	1.5
122.03644	9.6
122.07307	2.7
127.77760	0.9
136.02173	47.2
136.03918	2.7
136.05188	2.0
136.06192	54.5
136.07579	49.6
136.08365	2.6
136.11166	2.3
136.12083	1.9
137.02417	2.0
137.04588	4.0
137.05978	15.1
137.09602	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	136.0759
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
53.03931	2.5
58.02963	67.8
65.03932	3.4
67.05514	4.3
68.05019	1.0
69.03423	3.7
69.86316	0.8
71.59900	1.2
76.03989	3.6
77.03937	1.2
79.05499	13.1
80.05009	3.4
80.05820	3.2
81.03394	1.1
81.07040	4.8
85.20928	0.7
89.49448	0.8
91.05483	53.1
92.02492	1.0
92.05804	2.7
92.06302	1.4
93.05768	2.6
93.07041	2.5
94.04148	11.1
94.07384	3.1
95.04977	3.9
95.08597	3.5
104.04992	2.1
104.06252	2.0
106.07374	1.0
107.04901	1.8
107.08623	1.1
108.04481	1.5
108.08109	3.5
108.08927	4.2
109.01121	7.3
109.05099	0.8
109.06525	2.4
109.10143	1.2
117.05746	5.2
118.06548	47.1
119.03556	11.6
119.07330	100.0
120.07657	1.8
122.02846	0.9
122.03669	11.8
122.07314	0.8
131.01923	1.6
136.02171	76.7
136.03941	2.5
136.05261	3.1
136.06192	92.8
136.07576	52.3
136.08350	2.5
136.11142	1.3
136.12059	1.2
137.02437	2.7
137.04601	5.7
137.05984	19.0
137.07880	1.2
137.09636	3.8
142.07695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46203	0.6
53.03944	2.8
57.04548	0.6
57.07075	0.7
58.02960	50.6
65.03926	2.6
66.04720	1.7
67.05495	3.3
68.83133	0.6
69.03425	3.9
69.82657	0.6
76.03989	3.2
79.05495	10.8
80.05009	2.7
80.05818	1.8
81.03409	1.1
81.07052	4.3
91.05482	40.3
92.05806	2.6
92.06303	0.9
93.05780	2.1
93.07047	2.6
93.48135	0.7
94.04173	12.0
94.06565	1.6
94.07373	2.5
95.04950	3.2
95.08604	2.5
104.05004	1.3
104.06242	2.4
105.03347	0.6
106.06582	0.6
106.07372	1.5
107.04932	1.0
107.07330	0.9
107.08548	0.9
108.04448	0.9
108.08116	2.4
108.08928	4.8
109.01100	7.2
109.05146	1.2
109.06490	1.6
109.10160	1.4
112.05095	0.8
117.05775	3.4
118.06547	36.3
119.03542	11.5
119.07327	76.0
120.07631	1.7
122.03650	11.0
122.07280	1.0
136.02167	70.4
136.03934	2.5
136.06187	100.0
136.07567	43.3
136.11188	1.6
136.12086	1.2
137.02449	2.0
137.04587	7.8
137.05980	19.7
137.09596	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01596	0.5
51.02390	0.8
52.03172	0.2
53.03943	0.9
55.01871	0.9
55.05510	0.3
56.96552	0.3
65.03935	1.9
66.04726	8.3
67.05506	1.8
69.03437	0.7
70.32642	0.3
70.33022	0.4
77.03922	1.1
79.05496	5.4
81.03419	0.8
81.07059	2.4
91.05478	4.9
93.07054	0.6
94.04189	57.2
95.04457	0.5
95.04553	0.3
95.05005	1.4
95.08619	0.9
96.04578	0.2
97.02902	0.2
105.03392	0.7
105.04534	0.5
107.04958	2.3
107.41846	0.2
109.06527	1.2
111.48180	0.2
119.04964	0.5
119.07681	0.3
122.03651	74.3
123.03985	1.1
135.04420	0.7
137.05978	100.0
138.05418	0.4
138.06340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02391	0.5
51.60163	0.3
52.26981	0.3
53.03943	1.4
55.01867	0.7
65.03941	1.8
66.04372	0.5
66.04725	8.0
67.05500	0.5
69.03429	0.3
69.90405	1.4
77.03940	1.2
79.05496	4.7
81.07053	1.7
82.22336	0.3
91.05483	3.9
93.03445	0.3
94.04192	57.7
95.04474	0.5
95.04986	1.3
98.20772	0.3
105.03402	1.0
105.04507	0.5
107.04956	1.9
109.06527	1.3
122.03654	75.8
123.03997	1.2
135.04361	0.3
137.05983	100.0
138.06319	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.20573	1.1
51.30369	0.8
53.03946	7.1
55.01870	5.0
55.05513	9.8
56.96569	1.1
57.03426	1.9
58.02950	2.1
64.74976	0.9
65.03942	6.9
66.04711	3.4
67.05507	78.7
69.03413	3.8
69.07072	5.0
71.61221	1.6
73.46779	0.9
77.03905	1.2
79.05496	14.3
81.03419	6.2
81.07063	31.9
83.04980	3.9
90.24507	0.9
91.05482	37.6
92.05801	2.1
93.07046	9.8
94.04197	14.5
94.07828	2.7
95.04980	16.2
95.08607	14.9
96.05768	1.0
103.05426	1.3
104.06274	1.3
105.04539	2.2
105.07029	1.6
107.04955	28.0
107.08597	6.6
108.05745	2.2
109.06526	47.2
109.10160	57.6
117.07029	4.9
119.04932	0.9
119.06065	4.0
119.06829	1.3
119.08585	22.5
120.07660	2.9
121.06513	8.9
122.02837	1.4
122.03661	20.8
122.07293	95.1
135.08038	4.7
137.02406	3.0
137.05960	24.1
137.09622	100.0
138.05486	1.3
138.09969	2.6
154.36617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02369	1.0
53.03954	6.2
55.01862	6.1
55.05514	9.5
56.96544	3.1
57.03420	1.5
57.07060	2.5
63.51916	0.9
65.03928	6.3
66.04720	7.4
67.01852	1.1
67.05505	71.6
69.03424	6.3
69.07050	4.2
71.59820	1.8
78.64762	1.1
79.05053	1.3
79.05493	23.6
81.03423	10.9
81.07056	41.6
83.04952	2.2
86.69595	1.1
91.05482	47.6
92.05832	1.3
92.45947	1.0
93.07053	15.2
94.04186	48.4
94.07802	3.0
95.04438	1.7
95.04977	17.2
95.08610	28.1
96.04497	1.2
103.05468	2.2
104.06229	1.5
105.04490	1.9
105.07003	2.3
107.04270	1.9
107.04959	28.0
107.08592	5.1
108.05703	1.8
109.02830	1.7
109.05779	1.7
109.06521	38.4
109.10157	47.5
110.06965	0.9
117.06997	3.8
119.04939	3.0
119.06043	3.3
119.08585	17.8
121.06507	9.2
122.03651	55.1
122.07288	85.0
123.07616	1.6
124.06343	1.6
125.06117	1.3
134.06674	2.5
135.08006	3.6
137.02457	9.2
137.05956	88.8
137.09613	100.0
137.13167	2.7
138.05463	2.9
138.09090	2.5
138.10031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03754	0.6
53.03983	2.9
55.01900	1.3
55.05548	2.4
59.48735	0.6
63.02961	0.7
65.03973	2.3
66.04762	3.1
67.05505	31.8
69.03471	2.4
69.07098	2.3
69.35860	6.2
70.44018	0.6
77.03993	0.8
79.05489	8.2
79.11017	0.7
81.03465	2.0
81.07065	13.3
81.07498	0.9
85.92450	0.8
91.05476	16.8
91.05984	1.0
93.07049	5.9
94.04189	18.4
94.04742	1.2
94.07830	1.3
95.04987	4.0
95.08609	13.7
95.09145	1.0
103.05489	2.2
104.06278	0.9
105.04530	0.8
105.07069	0.9
107.04965	24.0
107.05692	1.6
107.08625	1.9
109.06539	1.9
109.10159	33.6
110.10507	0.9
111.63834	0.6
117.07030	2.5
119.08587	16.7
121.06501	9.6
122.03662	24.3
122.07290	100.0
123.07640	1.4
135.08035	4.6
137.02423	3.1
137.05966	37.1
137.09621	85.1
138.10031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03941	2.4
55.05506	2.7
63.51527	0.9
65.03939	2.0
66.04723	1.3
67.05161	1.8
67.05510	29.1
69.03442	0.9
69.36823	6.8
77.03919	0.9
79.05502	7.1
81.03432	2.0
81.07065	14.1
86.01411	0.9
91.04954	1.5
91.05486	19.5
93.07045	4.8
94.04200	11.9
94.07850	1.5
95.04979	4.1
95.08611	12.9
103.05466	2.1
104.06236	1.9
105.04572	1.0
107.04271	1.7
107.04959	23.6
107.08594	1.8
109.06506	2.9
109.10160	32.5
117.07019	2.5
119.08591	16.0
121.06502	9.9
122.03654	13.4
122.07294	100.0
123.07680	1.3
135.08055	5.0
137.02415	2.3
137.05972	22.2
137.09621	82.2
138.10005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02364	1.0
53.03940	5.5
55.01862	1.5
55.05492	2.4
56.96548	1.8
57.07064	1.4
65.03610	0.9
65.03925	4.8
66.04725	8.1
67.05505	26.3
68.99770	1.0
69.03410	2.3
69.07048	2.2
69.39474	2.7
69.39908	2.9
73.56517	0.7
75.16821	0.7
77.03920	0.8
79.05119	0.8
79.05494	10.2
81.02969	1.0
81.03417	13.2
81.07057	20.8
91.04889	0.9
91.05476	21.9
93.07037	6.8
94.04186	49.3
95.04455	0.9
95.04975	6.4
95.08609	14.1
96.02083	1.4
96.04485	0.8
98.21544	1.4
103.05459	0.8
105.03366	1.0
105.04512	1.6
107.04962	12.6
107.08591	2.3
108.05762	1.4
109.02856	1.3
109.06519	53.0
109.10154	19.6
119.04961	2.5
119.06004	3.2
119.08575	5.8
121.06507	3.5
122.03650	63.4
122.07284	35.9
123.03967	0.9
123.06799	0.9
127.03898	1.8
135.08073	1.3
137.02417	12.0
137.05965	100.0
137.09608	44.2
137.13164	1.8
138.05455	2.2
138.06393	1.7
138.09105	1.8
155.30786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03949	2.9
55.01879	1.1
55.05513	7.6
56.96568	0.7
57.07086	7.3
59.47734	0.5
65.03929	1.9
66.04739	0.9
67.05511	40.9
69.03429	1.8
69.07072	6.1
69.51778	1.1
69.52162	4.7
73.73295	0.6
79.05499	11.5
81.03416	1.2
81.07064	70.1
82.07392	1.3
91.05489	10.8
93.07051	12.7
94.04201	6.1
95.04973	4.1
95.08614	100.0
96.08946	0.9
107.04979	1.4
107.08586	1.1
109.06519	3.3
109.10167	6.6
110.19133	0.6
113.61726	0.6
117.07057	0.9
119.08620	4.1
122.03661	8.0
122.07307	1.0
137.02473	2.6
137.05943	10.7
137.09628	14.9
137.13277	7.4
138.01770	0.6
138.05515	1.0
138.09189	0.8
145.33516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.4
62.81946	1.2
67.68176	1.1
70.65442	3.8
74.09721	100.0
77.02926	1.3
79.94683	1.5
96.07896	4.9
98.97585	11.9
99.21487	1.1
114.08929	14.4
116.98606	4.5
122.86864	1.2
133.80830	1.2
134.99660	2.0
140.06830	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65293	24.1
58.42875	24.0
70.63828	83.5
101.00852	33.2
119.01900	100.0
142.03589	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66103	9.0
54.38402	8.2
57.21053	7.6
58.51986	8.4
61.01481	8.1
70.36227	9.3
70.78100	14.1
70.78454	12.9
79.57053	7.9
97.18620	10.1
101.00890	75.2
113.46361	8.5
119.01906	100.0
133.49777	7.4
137.02965	16.4
142.03542	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40001	5.3
61.91236	4.4
62.74060	4.6
68.52843	5.3
70.02213	18.8
75.68272	5.3
98.20714	4.8
100.02505	5.4
101.00899	45.8
101.49976	5.1
101.71194	4.7
119.01125	8.4
119.01928	100.0
137.02968	16.5
142.03477	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05507	0.3
56.96565	1.2
57.03436	0.4
58.06599	0.9
58.99859	2.2
61.02927	0.3
70.06577	0.8
70.19252	0.9
70.99865	2.8
72.08157	0.5
75.10047	0.3
77.00904	2.5
81.03435	0.3
81.04544	3.2
82.99833	1.5
83.06065	0.3
84.04479	0.3
84.08141	5.4
86.99327	0.3
89.00913	2.0
95.01939	0.7
95.06097	1.5
97.02895	0.4
97.07648	0.3
98.06037	0.5
98.09680	0.5
98.97589	0.4
100.02472	1.0
100.07629	0.3
101.00882	24.0
102.00986	0.9
103.02456	0.5
105.00356	0.4
113.00878	0.3
114.09142	0.5
115.02457	0.5
118.03531	0.6
119.01922	100.0
120.01991	3.6
121.02364	0.3
121.03509	0.6
124.02444	0.7
125.07119	2.3
126.05503	0.3
126.09209	0.6
131.01915	0.7
133.03467	1.1
137.02959	25.7
138.03055	1.3
142.03510	2.6
143.01915	2.3
143.03448	2.4
143.08162	0.8
143.11818	3.1
144.05054	0.4
144.10188	3.2
158.74287	0.3
160.04539	0.8
161.02968	4.1
161.04187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.01875	1.2
56.96571	1.0
57.03439	0.4
58.99865	1.6
59.05018	0.3
61.02925	0.4
69.03432	2.7
70.06598	0.7
70.41529	0.9
70.99866	3.4
71.01347	0.5
72.08160	0.4
74.24362	0.3
77.00903	1.7
78.52979	0.3
81.04556	1.5
82.99834	2.3
83.01389	0.4
84.04490	0.6
84.08141	1.5
85.02908	0.4
89.00885	1.5
95.06096	1.0
96.06877	0.4
97.02898	3.0
97.03979	0.3
97.07652	0.8
98.06056	0.5
98.09673	0.7
98.22811	0.3
100.02499	0.7
101.00884	33.1
102.00959	1.7
103.02444	0.6
107.01872	0.3
115.02451	0.7
116.98647	0.6
118.03493	0.7
119.01926	100.0
120.02010	5.9
121.01653	0.6
124.02440	0.5
125.02361	3.0
125.07119	3.7
126.05616	0.3
131.01886	0.6
133.03485	1.0
135.05038	0.6
137.02959	23.6
138.03104	1.1
142.03532	2.1
143.01936	1.6
143.03404	19.0
143.08174	0.9
143.11807	1.1
157.03441	0.4
160.04604	0.4
161.02983	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	143.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.96555	0.8
58.99852	2.7
61.02934	0.7
69.03422	1.1
69.29259	2.2
69.29678	4.1
70.99860	6.7
76.80983	0.6
77.00909	1.7
82.99841	6.6
84.08171	1.1
85.02913	1.2
89.00891	2.9
97.02896	1.6
98.21452	1.1
100.02479	1.0
101.00890	57.4
102.00975	3.2
102.02373	0.8
103.02428	1.1
107.01881	0.7
115.02496	0.7
118.03485	0.9
119.01927	100.0
120.02005	5.5
123.12696	0.7
124.02435	1.1
125.02382	1.1
127.70614	0.7
131.01924	1.7
133.03471	1.7
137.02971	15.1
142.03532	2.2
143.01932	3.5
143.03410	7.8
143.11784	1.5
144.10248	1.0
161.02936	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	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03939	0.7
53.75898	0.3
55.01861	0.5
55.05521	0.2
56.05034	0.5
57.03428	0.7
60.04512	0.4
60.95826	0.4
62.37317	0.2
63.96554	0.2
69.03423	0.7
70.06599	1.2
70.83418	0.9
71.04990	2.0
77.03918	0.3
78.99771	0.3
81.03413	0.8
84.04513	0.3
84.08154	1.4
84.26562	0.2
85.02914	2.4
89.03920	3.9
91.05483	3.3
95.04974	0.3
97.00803	0.4
97.02874	0.4
98.06066	1.9
98.09679	0.6
98.72292	0.3
99.04465	4.0
102.04707	0.3
102.96857	1.4
103.05470	3.3
113.02922	0.3
115.05459	8.4
116.04956	0.8
116.06268	0.5
117.03388	1.4
117.05812	2.6
117.07020	22.5
118.06539	1.9
118.07288	0.4
120.02020	0.3
120.97919	1.1
121.00752	0.9
126.02756	0.2
126.12791	0.5
127.03964	0.7
127.05458	1.1
128.04990	2.5
128.06207	1.0
129.05743	0.6
134.06050	0.5
139.01828	2.0
142.06525	0.9
143.07310	18.9
144.03719	1.8
144.08084	100.0
145.05290	0.4
145.06494	3.6
145.08415	2.3
146.06036	1.1
155.06042	5.2
160.19815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
57.06773	0.7
65.03953	0.8
69.91356	0.6
70.91113	0.8
70.91438	1.2
72.08159	2.0
73.17817	0.6
85.64869	0.6
90.04234	0.8
91.05480	27.7
96.43517	0.6
100.04859	0.6
116.41068	0.6
117.05777	6.0
118.06543	100.0
119.04962	3.7
119.06864	1.8
128.05002	4.0
141.31514	0.6
146.06007	20.6
147.04417	2.2
147.06360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
53.47609	0.3
55.42493	0.3
56.96571	0.6
57.03421	0.3
65.03938	1.8
69.03431	0.5
69.40060	2.8
72.08159	0.8
76.51308	0.3
82.06593	1.1
85.02926	0.3
86.03231	0.3
86.06075	0.5
89.03920	0.6
91.05483	32.7
92.05807	0.4
93.71275	0.3
98.21427	0.7
100.04825	0.5
100.07621	2.1
105.07035	2.5
106.07346	0.9
109.06506	0.3
112.11264	0.3
116.05766	0.4
117.05756	4.3
117.07022	0.3
118.06546	100.0
119.04955	5.1
119.06880	1.6
119.08580	2.8
119.97291	0.6
141.92311	0.4
144.08942	0.4
146.06013	11.4
146.08000	0.6
146.10500	0.9
147.04414	2.7
147.08080	0.6
147.11684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05523	0.7
55.70671	0.6
59.43343	0.5
65.03940	12.2
69.03426	1.4
70.83678	1.8
71.60276	0.6
79.05514	1.0
85.02873	0.6
91.05480	100.0
92.05811	2.0
100.54005	0.6
103.05465	0.9
105.07021	6.5
117.07008	1.0
119.04943	89.0
119.08577	6.6
120.05288	2.4
123.96398	0.9
125.09803	0.6
141.67543	0.7
147.04411	33.1
147.08072	2.5
147.11711	3.5
148.04720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.05029	5.2
59.25669	0.8
60.49242	0.7
65.03944	11.8
69.03440	2.1
70.06571	0.9
70.40178	2.3
71.04971	0.7
83.05002	0.8
84.04504	91.6
84.08144	59.5
85.02881	3.1
87.04466	1.3
87.06379	1.0
88.04803	1.6
90.24023	0.8
91.05482	100.0
91.20029	1.0
92.05840	1.6
95.04929	0.8
101.07114	2.4
102.05547	3.6
119.04948	97.4
120.05273	0.9
130.05014	25.4
130.08627	5.6
145.46770	1.0
147.04414	35.4
148.04836	1.0
149.01239	1.0
153.04054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1122
Annotation	Actinidine
Peak:m/z	Relative Intensity
53.03934	0.9
55.01865	0.3
55.05522	0.3
56.05029	0.4
56.96572	2.6
64.95528	0.2
65.03945	6.3
67.05508	0.3
69.41622	1.7
77.03925	0.4
78.84290	0.2
79.05495	4.0
80.02660	0.2
83.04985	0.4
84.04510	4.6
84.08144	0.7
85.02920	0.3
85.08475	0.3
88.01801	0.2
89.03899	0.4
91.05479	3.1
92.04997	0.6
92.05819	2.4
93.03378	1.1
93.07053	3.5
95.04961	0.7
100.99142	0.2
102.03343	0.5
102.05534	0.5
103.05477	11.0
105.07034	0.4
106.06544	0.8
106.96607	0.4
107.04962	2.0
111.03841	0.6
111.04453	0.8
118.06553	5.8
119.00194	0.4
119.04955	0.5
119.07306	0.6
120.04466	1.2
120.05282	2.1
120.08107	3.2
121.02868	6.3
121.03989	2.1
121.06517	1.8
124.04597	0.3
124.97552	0.3
130.02954	0.3
130.05005	0.3
130.06485	0.3
131.04924	0.6
132.08095	6.7
133.05249	0.7
133.08881	17.8
134.09164	0.4
146.09659	0.3
148.03864	3.7
148.04855	0.7
148.11214	100.0
149.02348	10.2
149.05960	1.0
149.11549	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02377	1.5
53.03950	5.8
55.01872	3.9
55.05508	1.3
56.96572	6.7
58.06583	1.3
61.50225	0.8
62.87180	0.9
65.03949	50.3
67.05506	1.5
70.16695	1.9
70.17080	1.9
77.03931	1.6
79.05502	44.6
81.03413	0.9
88.21169	0.9
89.03918	3.6
91.05485	17.9
93.03409	11.7
93.07056	35.5
94.06599	1.6
95.04982	6.5
98.03689	2.5
102.03388	1.4
103.05476	98.5
104.05789	2.2
105.04527	3.2
105.07056	2.5
106.06547	1.1
107.04273	1.7
107.04970	26.5
107.05693	1.4
111.03899	0.9
111.04467	8.7
111.75389	1.0
117.03384	2.0
121.02876	55.3
121.03989	17.5
121.06514	16.0
121.10143	1.7
122.06057	1.7
124.14899	0.9
131.04964	5.8
134.03636	1.2
134.09236	1.9
149.02357	100.0
149.05984	9.3
149.09714	1.6
149.11574	14.4
150.02673	2.6
150.05563	2.2
150.07793	2.1
150.09100	1.1
169.03529	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	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.80286	1.0
53.03947	9.7
55.01866	2.9
65.03941	54.6
67.05482	1.5
69.07066	2.3
69.29722	13.1
77.03923	1.8
78.04715	14.7
79.05496	15.0
81.03427	2.3
81.07061	3.8
89.03905	7.2
91.05486	41.9
92.05831	1.5
93.03419	13.5
93.07047	27.0
95.04979	7.2
98.03690	1.9
102.03334	1.3
103.05489	11.0
105.03402	3.0
105.04510	4.9
105.07037	16.0
106.04174	29.9
107.08582	5.5
111.04475	7.5
117.03389	2.1
119.08537	2.1
121.02869	56.0
121.03984	15.4
121.06501	28.3
121.10145	13.1
131.04977	1.6
131.08569	3.0
134.03621	11.1
141.15924	1.2
143.71320	1.4
149.02348	100.0
149.05986	22.2
149.07082	2.6
149.09628	39.6
149.13242	2.5
150.02693	2.4
167.03304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.61728	1.5
53.03939	4.8
55.01878	1.8
55.05512	2.0
57.02588	1.3
65.03954	7.5
68.51269	1.3
69.03434	1.6
69.85664	7.7
69.89781	1.5
73.60688	1.1
77.03951	1.4
79.05494	22.7
81.07047	2.8
82.48248	1.1
86.95634	1.2
89.03928	1.2
91.05491	40.2
91.06065	2.1
93.07056	36.9
94.95119	1.3
95.04957	2.7
103.05462	7.7
105.04537	2.3
105.07040	38.1
106.07826	5.0
107.04967	1.4
107.08623	2.8
109.06535	2.0
115.05460	5.2
116.06246	12.7
119.08573	7.1
121.02878	8.1
121.03938	3.5
121.06509	9.0
121.10157	34.0
123.08067	3.9
129.07014	4.2
131.08585	11.2
133.07652	2.4
134.07292	2.1
149.02341	11.6
149.09630	100.0
150.09964	2.9
167.08586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03943	5.6
55.01865	2.5
55.05498	3.3
60.15598	1.3
61.73633	1.4
65.03942	23.8
66.60390	1.2
69.07081	1.6
70.83273	3.0
70.83633	1.8
77.03940	1.9
79.05497	24.8
81.07057	3.9
89.03922	1.9
91.05487	26.9
93.03395	5.5
93.07051	43.3
95.04954	5.0
98.03694	1.8
103.05464	8.9
103.42857	1.4
105.07030	35.3
105.35649	1.5
106.07810	5.3
107.08599	3.8
111.04430	2.6
116.06266	3.0
119.08560	6.5
120.05796	1.6
121.02868	24.3
121.03984	9.1
121.06472	3.4
121.10152	25.6
123.08074	4.1
133.07652	3.2
136.94933	1.3
149.02353	49.8
149.06047	2.0
149.09622	100.0
150.09943	4.0
151.34634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.03403	0.6
53.03941	3.2
55.05503	1.5
65.03947	3.7
67.05501	1.5
70.84236	0.8
70.84578	1.4
77.03926	1.3
79.05048	1.2
79.05499	21.1
81.07047	2.7
91.05487	22.2
93.03403	0.8
93.07051	38.1
93.93538	0.7
95.04998	3.6
103.05466	6.3
105.04525	1.4
105.07038	29.6
106.07823	4.2
107.08589	1.3
115.05470	1.4
116.06227	3.5
119.08565	5.2
121.02897	3.1
121.04047	1.2
121.06548	1.7
121.10146	25.2
123.08076	2.4
133.07657	1.7
134.07234	1.2
149.02347	8.1
149.09627	100.0
150.09967	2.9
151.43642	0.7
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	Hormodirene
Peak:m/z	Relative Intensity
53.03940	3.4
55.01862	2.9
55.05504	4.1
56.96572	1.0
65.03945	52.2
67.05511	14.3
68.99778	0.9
69.07069	9.1
69.71883	2.5
69.72298	3.0
77.03951	1.3
79.05501	31.0
80.05817	0.9
81.07061	44.8
83.08619	2.4
91.05486	15.2
93.03416	8.6
93.07050	41.2
94.07372	1.3
94.15864	0.9
95.04967	2.5
95.08606	7.2
98.03658	2.4
105.07041	3.5
107.04952	2.1
107.08598	29.9
108.04472	1.3
109.06543	1.0
111.04449	7.5
121.02871	53.2
121.03986	18.2
121.06504	2.3
121.10155	9.7
122.03172	1.1
126.05483	1.0
131.04993	0.9
149.02353	100.0
149.09706	4.0
149.13261	18.5
149.14351	1.6
150.02670	2.6
155.89105	0.8
167.52919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	3.1
55.01864	2.4
55.05509	6.2
56.96556	3.0
65.03944	49.1
67.05496	3.6
67.68421	0.9
69.07067	5.7
69.53873	6.2
72.54730	0.8
77.03931	0.9
78.04707	1.0
79.05494	16.7
80.02634	0.8
81.06628	1.2
81.07064	11.7
88.08857	0.8
89.03924	2.0
91.05482	13.1
93.03409	10.9
93.07047	34.4
95.04961	3.9
95.08631	1.9
98.03661	2.5
98.20734	1.6
103.05438	2.3
105.04517	0.9
105.07033	5.6
107.08600	22.5
108.04484	1.3
109.06523	1.0
111.04453	8.2
111.40614	0.9
119.08633	0.9
121.02864	59.7
121.03976	19.3
121.06498	2.5
121.10140	9.1
131.04945	0.8
131.08543	1.4
133.06447	0.8
149.02345	100.0
149.05980	2.8
149.09628	5.3
149.13271	9.1
150.02716	2.2
163.64771	1.0
167.03392	1.2
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
53.03941	3.9
53.29827	1.1
55.01863	2.0
55.05513	7.0
56.96545	3.1
65.03945	52.9
67.05511	13.6
69.07073	8.0
71.20120	1.8
79.05048	1.8
79.05493	28.8
81.03400	1.3
81.07059	38.1
82.35010	1.0
83.08176	1.2
83.08637	2.4
88.83007	1.0
89.03937	1.1
91.05488	12.1
93.03408	9.7
93.07052	41.4
95.04946	2.6
95.08613	6.8
96.27821	1.0
98.03654	2.4
98.79391	1.0
103.05461	1.6
105.07035	5.3
107.04952	2.3
107.08601	29.4
108.02080	1.0
108.04446	2.1
111.03825	1.0
111.04484	6.8
121.02871	57.1
121.03984	18.9
121.06522	3.1
121.10151	10.0
122.03242	1.8
122.17918	1.1
123.63632	1.1
126.98991	1.0
149.02354	100.0
149.06013	2.6
149.09637	8.3
149.13261	17.2
150.02690	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.6
51.02375	0.9
51.10427	0.5
51.21249	0.5
52.03164	1.3
53.03951	5.2
55.01880	7.3
55.05508	3.2
55.89598	0.5
56.96567	3.9
57.03438	1.5
59.04978	0.5
65.03944	16.6
67.05164	1.1
67.05509	19.4
68.99798	0.8
69.03421	1.3
69.07068	3.6
69.48528	2.3
69.48952	2.0
71.01363	1.1
73.02906	0.8
77.03912	1.9
79.05504	2.7
80.02638	2.0
80.63074	0.6
81.03409	1.3
81.07066	6.4
84.02089	0.7
85.02909	2.0
91.05489	7.7
93.03410	1.6
93.07063	3.2
95.00766	0.7
95.01340	1.1
95.04979	12.7
95.08611	3.9
96.01564	0.6
98.01315	0.6
98.03715	0.8
98.97594	2.2
105.04522	2.5
105.07026	5.0
107.04960	0.8
107.08607	2.8
108.02108	23.9
109.02879	1.6
109.06529	3.4
109.10152	2.9
110.01287	1.6
110.97548	0.9
111.04443	3.3
112.01575	1.2
116.48090	0.6
116.98621	1.2
119.01814	2.0
119.04961	3.3
121.02855	0.7
121.03991	1.9
121.06510	0.6
123.04456	3.2
123.08072	2.9
123.11700	2.0
127.03955	0.9
128.02324	2.1
128.98611	0.9
133.06534	0.7
133.10130	2.1
134.06000	0.8
136.01566	2.2
141.05473	12.6
151.03900	100.0
151.05046	41.9
151.07495	5.7
151.11183	5.2
152.04279	1.5
152.05574	0.7
152.07050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02386	0.8
52.03165	0.7
52.29688	0.7
53.03959	5.0
55.01874	6.4
55.05516	4.3
55.79628	0.7
56.96572	3.8
57.03435	1.9
57.07055	0.6
61.02913	1.0
65.03944	17.9
65.67973	0.6
67.05161	1.2
67.05506	19.1
68.95296	1.0
68.99783	1.5
69.03437	1.7
69.07077	3.7
69.24957	6.5
71.01336	1.2
71.04987	1.1
71.32254	0.7
73.02917	1.2
77.03929	2.5
79.05493	5.8
80.02634	2.2
81.03407	2.0
81.07058	15.5
83.04977	0.8
85.02901	1.9
91.05485	20.0
93.03399	1.4
93.07043	6.5
95.01318	1.8
95.04974	14.9
95.08607	5.6
97.06515	0.8
98.97580	2.0
105.03373	0.9
105.04512	2.4
105.07029	11.5
107.04967	1.4
107.08591	5.7
108.02100	22.2
108.05703	1.0
109.02869	2.0
109.06513	5.8
109.10140	4.5
110.01281	0.8
110.03514	0.7
110.97573	1.0
111.04421	3.4
112.01555	1.8
116.98598	1.0
119.01750	3.4
119.04935	6.5
121.03989	2.0
121.10146	2.2
123.04425	3.7
123.08086	4.6
123.11705	4.0
128.02306	3.0
128.98622	1.2
131.08595	0.9
133.06494	1.2
133.10146	5.8
134.10133	0.8
136.01550	3.1
136.05179	1.1
141.05472	9.5
151.03903	100.0
151.05046	37.3
151.07524	10.6
151.08627	1.5
151.11208	9.3
152.04352	1.4
152.05658	3.8
152.06990	1.3
153.04082	1.5
154.02603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02378	1.5
52.35349	0.8
53.03944	7.8
55.01869	8.2
55.05515	22.0
56.96331	0.7
56.96571	8.7
57.03413	3.5
57.07066	1.6
59.04999	2.2
61.02927	0.9
65.03938	18.1
67.05505	37.3
68.05042	1.0
68.99808	0.9
69.03432	5.1
69.07069	9.1
69.88062	2.9
69.88474	1.9
70.98125	1.5
71.04971	1.3
71.49816	0.8
73.02915	1.5
75.01017	0.9
77.03925	2.4
79.05492	18.5
80.02629	1.9
81.03429	4.9
81.07056	42.4
83.00782	1.1
83.04966	1.6
85.02888	2.1
89.00760	1.1
90.01580	1.2
91.05481	44.0
93.03376	1.7
93.07047	19.1
95.01350	1.5
95.04974	26.0
95.08037	1.2
95.08602	15.6
97.06499	3.3
98.01283	1.3
98.97596	5.6
101.00727	1.4
103.05463	2.2
104.01295	0.9
105.03373	1.9
105.04513	2.1
105.07030	39.8
106.06590	1.4
107.04951	3.2
107.08590	16.2
108.02099	20.1
108.05710	2.4
109.02870	4.0
109.06522	21.4
109.10158	15.2
110.01280	1.1
111.04485	4.6
111.05107	1.0
116.61594	0.9
116.98595	1.8
118.07760	1.2
119.01786	3.8
119.04946	12.8
119.05828	1.3
119.06116	1.1
121.04005	2.4
121.06499	1.2
121.10143	11.5
123.04415	6.2
123.08073	14.4
123.11694	15.9
124.07597	1.8
128.02310	3.2
128.98624	1.9
131.08585	1.4
133.06468	3.2
133.07549	1.1
133.10121	15.6
134.05984	1.0
136.01553	3.9
136.05188	1.4
136.08844	1.8
140.80283	0.9
141.05467	12.4
146.99713	1.1
150.56116	1.1
150.98076	1.1
151.03885	100.0
151.05032	42.6
151.07536	26.7
151.08636	2.2
151.09962	1.4
151.11180	28.8
151.97427	2.0
152.04442	1.1
152.05621	5.9
152.07027	3.4
152.10579	1.7
154.02541	1.3
163.07930	1.0
169.03482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
54.86117	0.3
55.02991	0.8
56.41039	0.3
56.96569	0.7
57.03440	0.8
65.03948	0.8
67.05507	0.3
70.90130	0.9
70.99882	0.3
73.01440	0.4
82.01439	0.4
82.04056	0.7
85.02929	0.4
92.05016	4.5
93.05796	1.3
94.06580	0.4
97.01357	0.3
100.02503	0.5
101.00880	0.9
103.02444	0.5
107.03558	0.7
108.08138	0.5
109.05125	2.0
110.03532	14.6
110.06053	5.2
110.97565	0.8
115.02425	0.8
117.04044	0.4
117.99113	0.4
119.01930	0.9
121.34459	0.3
122.06024	1.5
123.06854	0.4
125.04765	0.8
128.04575	3.6
128.98656	0.5
129.00368	0.6
129.03981	0.5
133.03490	0.6
134.03662	0.3
134.04630	1.4
134.05902	0.3
135.03030	26.6
136.01459	0.9
138.05473	0.7
147.01418	0.9
147.05003	0.6
152.05688	100.0
152.07068	72.8
153.04085	25.7
153.07425	1.1
154.02489	0.8
158.96565	0.3
170.02919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55687	0.3
55.03007	0.6
55.05519	0.4
56.96563	2.3
57.03432	0.9
59.74406	0.3
62.76485	0.3
65.03945	0.8
67.05507	0.6
68.50598	0.3
68.98296	0.3
69.03416	0.5
70.52134	1.0
71.04967	0.3
73.02917	0.6
74.19337	0.3
77.00819	0.3
82.01451	0.4
82.04080	0.4
85.01406	0.8
85.02895	0.7
89.00842	0.3
92.05008	6.1
92.05843	0.3
93.05799	1.2
94.06577	0.5
96.04511	0.3
97.01350	0.3
97.02908	0.4
98.01245	0.3
98.97594	0.8
100.02486	0.7
101.00935	1.4
101.01492	0.3
103.02445	1.0
105.00387	0.4
107.03611	0.6
107.04964	0.3
108.08157	0.4
109.05134	2.6
110.03530	16.1
110.06049	7.3
110.09664	0.4
110.97588	1.5
111.02866	0.5
113.00882	0.5
115.02448	0.8
117.03988	0.5
119.01929	1.5
122.06036	1.7
123.06848	0.6
124.03945	0.4
124.07578	0.6
125.04709	1.1
128.04564	4.6
128.98615	1.5
129.00339	0.6
129.02170	0.4
129.03993	1.1
131.01892	0.4
131.05580	0.3
133.02516	0.3
133.03470	0.7
134.04669	1.5
134.06039	0.6
135.03029	18.4
136.01450	0.5
136.11153	0.4
138.05515	0.9
143.01884	1.1
146.99658	0.6
147.01390	3.7
147.03218	0.8
147.05048	1.0
152.05692	100.0
152.07071	94.0
153.04085	25.6
153.06067	1.0
153.07254	1.4
153.47072	0.3
154.02493	0.7
157.03410	0.4
159.04990	0.3
161.02989	0.9
170.03052	1.0
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	Acetaminophen
Peak:m/z	Relative Intensity
53.03959	0.4
54.51343	0.3
55.02992	0.5
55.05532	0.4
56.96568	4.6
57.03437	0.7
57.07076	0.6
65.03962	1.5
67.05498	1.5
67.23267	0.3
69.03434	0.9
69.41355	2.5
70.06577	0.4
71.95268	0.4
72.48694	0.3
72.73021	0.3
73.02926	0.5
74.40684	0.3
76.94197	0.3
79.05481	0.7
80.05057	0.3
82.04093	0.5
84.52199	0.3
84.96065	0.5
85.02893	0.6
88.74517	0.3
91.05502	0.5
92.05006	5.7
92.05824	1.2
93.03439	0.4
93.05796	1.3
94.06567	0.4
94.33385	0.3
96.04513	0.5
96.08131	0.6
97.02882	0.7
98.97591	8.1
101.00890	0.4
103.02427	0.4
106.06573	1.2
107.04967	0.7
108.08121	0.3
109.05147	1.4
110.03538	10.6
110.06049	18.1
110.97587	2.3
111.04419	0.7
115.02431	0.4
116.98633	2.3
117.02039	0.4
120.05279	0.6
120.54471	0.4
122.06060	2.5
123.06760	0.6
124.07573	0.5
125.04749	0.8
128.04578	3.1
128.98651	2.1
129.03146	0.4
129.03986	0.4
134.04625	1.0
134.06020	3.2
135.03030	17.5
136.01431	0.7
138.05496	0.7
143.05437	0.5
146.99615	0.7
147.01398	1.4
147.05031	0.8
152.05696	73.9
152.07071	100.0
152.10661	1.5
153.04089	20.2
153.05083	0.4
153.05997	0.5
153.07420	1.1
154.02515	0.6
158.99675	1.4
159.03293	0.6
161.03000	0.3
162.29674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03938	0.1
55.01872	0.4
55.05521	0.5
56.96571	0.6
57.03441	0.2
58.00916	0.1
65.03946	6.0
67.05515	1.0
69.03438	0.4
69.07074	0.6
69.88094	0.3
69.88496	0.5
70.94265	0.4
70.95874	0.1
71.01383	0.1
79.01874	0.3
79.05501	1.3
80.02658	0.2
81.03416	0.4
81.07061	1.0
83.04982	0.6
83.08649	0.2
84.08154	0.2
85.02924	0.3
91.05511	0.6
93.03413	2.9
93.07053	1.3
94.04171	0.1
95.01335	0.4
95.04978	2.6
95.08607	0.8
96.08138	0.6
97.02897	0.2
97.06530	0.7
98.03692	0.2
98.21419	0.2
98.97579	0.9
105.07022	0.2
107.04962	0.6
107.08602	1.5
109.06516	1.1
109.10170	0.4
110.03661	1.3
110.09637	0.1
111.04456	2.4
111.08076	0.6
111.96902	0.2
116.98629	0.3
121.02877	100.0
122.03213	1.6
124.99136	0.5
125.06004	1.9
125.09657	0.3
128.98634	0.3
129.09497	0.1
135.04445	0.4
135.08081	0.4
135.11679	0.5
138.03174	0.2
139.03879	0.5
143.00174	0.9
146.99715	0.2
153.01895	0.2
153.05479	5.3
153.06714	0.3
153.09128	0.7
153.10138	0.2
153.12750	0.6
153.13818	0.1
154.12259	0.6
161.01245	0.4
161.71205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03949	0.3
53.47468	0.1
55.01881	0.4
55.05517	1.0
56.96571	0.6
57.03443	0.4
59.05008	0.3
65.03944	9.0
67.05508	1.4
69.03433	0.6
69.07064	1.2
69.85619	0.2
70.06617	0.2
70.94262	0.9
70.95869	0.2
71.04993	0.4
71.60030	0.3
71.95268	0.3
75.04491	0.4
79.05492	1.8
80.02667	0.3
81.03430	0.3
81.07056	1.4
83.01352	0.2
83.04999	1.1
83.08643	0.3
84.08118	0.4
85.22292	0.1
88.88095	0.1
91.05484	1.7
93.03406	4.9
93.07056	2.9
94.04224	0.2
94.06588	0.2
95.04972	5.3
95.08634	1.5
96.08131	1.1
97.02880	0.3
97.06537	1.4
98.03703	0.3
99.71060	0.2
105.07053	0.4
107.04971	0.9
107.08605	3.4
109.06515	1.2
109.10158	1.2
110.03642	0.8
111.04454	5.8
111.08089	1.1
111.96889	0.4
121.02874	100.0
121.06412	1.0
122.03210	1.6
122.47667	0.2
125.02362	0.2
125.06004	2.3
125.09623	0.7
135.04424	0.7
135.08044	1.4
135.11665	0.9
138.03104	0.4
138.06737	0.6
152.55835	0.2
153.01849	0.5
153.04356	0.2
153.05469	5.5
153.06619	0.2
153.09111	1.9
153.10208	0.2
153.12758	1.6
154.12262	1.4
158.58182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03954	3.6
55.01871	4.9
55.05514	29.6
56.96563	2.5
57.03437	6.6
57.07075	1.1
58.06601	1.0
59.05000	4.2
65.03593	0.9
65.03943	13.6
66.69563	0.7
67.05509	18.6
68.99786	1.6
69.03433	27.8
69.06709	1.2
69.07074	17.7
70.06596	1.4
70.77367	1.6
70.77718	0.8
70.94257	4.0
70.95874	1.0
71.04984	3.9
73.06566	1.5
75.04479	1.0
77.03922	0.8
79.01863	1.7
79.05498	31.7
81.03416	1.6
81.07062	19.5
83.04986	64.9
83.08617	5.7
84.05296	1.2
84.08149	2.9
85.02911	1.3
88.95279	0.8
91.05482	34.9
93.03411	8.2
93.07051	39.6
94.07386	0.9
95.01322	0.9
95.04978	27.8
95.08607	8.2
96.08132	12.5
96.91663	0.6
97.02897	3.3
97.06538	10.7
97.08912	0.9
97.10188	1.4
99.04487	0.9
101.00799	0.9
105.04503	1.8
105.07033	12.0
107.01336	0.8
107.04961	6.0
107.08600	88.5
108.08201	1.0
108.08938	2.0
109.06528	13.2
109.10157	9.4
110.03679	5.0
110.06058	0.9
110.07317	1.5
110.09673	2.2
111.04449	19.4
111.08084	100.0
111.11730	2.9
111.96858	1.4
112.08435	1.5
112.11275	2.0
115.05452	2.0
115.33946	0.8
117.07028	2.3
119.06071	3.5
121.06528	2.4
125.06004	12.4
125.09637	60.5
126.09975	1.2
129.97919	1.5
134.06133	0.9
134.81342	0.8
135.04449	3.6
135.07086	1.4
135.08069	16.0
135.11670	5.2
136.07605	2.1
138.03221	0.9
138.06781	2.0
139.06407	1.0
139.07515	8.3
146.33273	0.8
150.06708	0.8
153.01846	3.3
153.02983	1.0
153.04199	2.2
153.05528	7.4
153.09117	29.5
153.10158	1.1
153.11720	1.2
153.12749	7.1
153.13869	1.7
154.05016	1.3
154.08650	12.5
154.09776	1.6
154.12260	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	153.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23075	0.8
52.61448	0.7
53.03946	1.8
55.01867	2.6
55.05505	3.8
56.01402	0.9
56.05025	2.0
56.96569	22.9
57.03423	3.3
57.03672	0.9
58.06599	4.3
59.05013	0.8
61.02911	1.9
64.02576	0.8
65.03946	21.6
66.04301	0.9
67.05511	6.7
68.05029	2.0
68.05827	0.9
68.96332	1.7
68.99801	1.1
69.03435	5.4
69.07073	23.6
69.55861	5.0
70.06236	1.5
70.06597	21.2
70.07397	1.1
70.94257	3.1
70.95853	1.2
70.98151	0.8
71.01368	1.1
71.04984	1.2
71.95271	2.2
72.08160	7.3
73.02908	3.0
79.01851	1.3
79.05495	13.2
80.05010	1.2
81.03423	3.3
81.05804	1.0
81.07057	3.6
82.06579	3.8
83.04995	5.8
83.07366	1.2
83.08620	1.1
84.08149	100.0
84.96046	1.4
85.02903	3.3
85.06544	1.1
85.08485	3.4
88.06571	4.1
89.00766	0.9
89.03918	2.7
90.01518	0.9
91.05488	35.7
92.04965	0.8
92.05829	1.9
93.03413	18.8
93.05325	0.8
93.07042	6.9
94.06059	1.2
94.06596	0.9
95.04973	6.9
95.08626	1.9
96.08138	39.1
97.02896	3.5
97.06517	5.3
97.07613	1.9
97.08446	1.3
98.09717	1.2
98.97588	53.9
99.97903	1.4
101.00808	0.8
102.06316	3.8
102.56511	0.8
103.05469	1.4
105.07045	1.3
107.01320	1.8
107.04268	1.7
107.04963	24.9
107.08615	6.1
108.08102	1.6
109.06531	2.8
109.08894	1.1
109.10172	2.4
109.98923	1.2
110.01272	1.7
110.03657	18.4
110.06054	2.4
110.09695	12.8
110.97614	2.5
111.03182	3.0
111.03799	1.5
111.04463	27.0
111.06859	24.7
111.08093	3.1
111.10499	7.8
111.57004	4.2
111.96909	1.3
112.11253	35.5
113.07111	4.6
113.11588	2.2
116.06075	2.0
116.98636	18.0
117.03390	3.3
117.56016	1.5
119.01839	3.4
119.04945	17.3
119.05761	1.3
120.05266	1.1
121.02876	3.9
121.06525	2.7
122.04861	0.8
122.06017	0.9
123.08637	3.4
125.02362	1.4
125.06007	22.5
125.07012	1.7
125.07992	1.9
125.09614	1.8
126.05575	5.7
126.06379	1.6
128.02347	2.9
128.98622	3.0
129.05728	0.9
129.13908	4.7
129.52670	0.8
129.97946	1.6
130.04625	1.0
130.96329	3.0
131.00200	1.5
131.02000	1.2
132.04532	0.9
132.09155	31.8
132.59305	4.1
134.03641	2.3
134.99689	4.6
135.04431	43.8
135.08055	3.3
135.11723	2.3
136.05251	13.4
136.07562	2.4
136.54921	1.3
137.05983	1.3
137.08350	1.4
139.12302	9.7
143.00174	1.6
143.05269	1.5
143.55624	1.7
145.01801	1.6
145.02824	5.6
146.99619	2.0
148.97388	4.6
149.01196	1.2
149.06009	2.8
150.06773	59.9
151.07562	7.7
152.56116	2.4
152.98651	1.5
153.01871	4.4
153.04092	3.1
153.05539	8.8
153.07434	33.5
153.09137	3.0
153.12749	2.5
153.13904	3.4
154.02480	2.6
154.04948	3.2
154.08685	2.0
154.12268	17.3
155.11801	34.9
156.12201	4.0
158.99670	14.3
159.03317	2.5
159.06770	1.1
160.07605	1.1
161.04921	1.0
161.06638	0.9
162.03172	4.3
162.05490	1.7
163.03915	1.4
164.07059	1.5
170.99724	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	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03953	2.1
55.01875	2.3
55.05516	13.3
56.96571	5.0
57.03447	4.8
57.07074	3.1
57.80031	0.6
59.05008	1.4
65.03948	7.3
67.05511	32.8
69.03440	3.3
69.07072	53.5
70.00735	2.2
70.06590	1.1
70.07405	1.1
70.94256	3.4
70.95872	1.7
71.05006	2.9
71.94096	1.2
71.95270	10.7
79.05499	30.0
81.07063	39.4
83.04981	9.0
83.08624	7.0
84.08143	1.1
85.02888	0.8
85.06547	1.9
88.95312	1.2
88.96938	0.6
91.05486	7.6
93.03397	4.0
93.07051	47.1
95.04975	4.7
95.08614	21.3
96.08142	9.8
97.02917	0.8
97.06538	23.1
97.10144	0.8
98.01272	1.0
105.04499	0.8
105.07048	2.8
107.04964	2.6
107.08600	53.6
108.08921	0.8
109.06539	1.8
109.10161	34.4
110.01257	0.9
110.03661	2.2
110.10458	0.7
111.04472	10.1
111.08086	9.4
111.11691	1.1
111.96906	2.4
112.04812	0.8
112.11272	1.6
112.96729	0.7
115.39489	0.6
117.06991	0.8
119.01617	0.6
120.52753	0.9
121.02885	1.8
123.08051	0.7
123.27139	0.7
125.05988	5.8
125.09618	1.6
126.06351	0.9
129.97949	1.9
135.04445	2.0
135.08051	2.4
135.11702	100.0
136.03848	0.7
136.07556	1.5
136.12018	1.7
138.05118	0.7
142.38391	0.8
153.01881	2.3
153.05513	5.4
153.07355	3.0
153.09209	5.6
153.12753	79.8
154.05016	2.0
154.08678	1.5
154.12242	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00309	1.3
53.03946	3.4
55.01873	4.5
55.05513	19.7
56.96561	2.5
57.03447	5.0
57.07075	1.3
59.05003	5.9
65.03944	21.6
67.05508	78.0
67.57264	0.9
68.05836	1.5
68.99844	0.9
69.03436	8.1
69.07063	11.2
69.47516	6.5
70.06589	1.2
70.94254	2.8
71.05000	24.1
72.08160	0.9
73.02921	5.7
73.06555	14.3
75.04498	1.1
79.01855	1.3
79.05496	69.4
80.05812	1.2
81.03411	1.7
81.07059	100.0
83.04988	24.8
83.05392	0.6
83.08614	3.0
84.08145	2.1
85.02929	0.8
85.06550	1.0
91.05486	23.7
91.06063	1.2
93.02810	0.9
93.03413	18.7
93.07052	40.5
95.01338	3.2
95.04971	16.8
95.08603	7.8
96.08125	9.4
97.02904	2.1
97.06537	14.4
97.10175	1.5
98.21111	3.6
105.07036	9.2
107.04982	7.8
107.08598	96.9
108.08950	2.1
109.06519	6.0
109.10160	15.9
110.03654	8.3
111.04449	56.7
111.08092	16.6
111.96864	1.8
112.04742	1.4
117.07022	3.0
118.90875	0.8
119.06095	2.4
121.02870	0.9
121.06496	2.2
123.08089	2.1
125.06008	14.0
125.09646	8.6
129.97894	1.7
135.04427	2.1
135.08049	19.0
135.11694	20.5
136.07585	2.2
138.03130	1.3
148.97386	1.0
153.01839	2.3
153.04227	1.6
153.05447	10.2
153.06558	1.3
153.09109	21.7
153.10275	1.7
153.12753	10.3
154.05031	1.7
154.08612	1.5
154.12273	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01871	2.8
55.05516	6.9
56.96560	1.1
57.03435	3.4
57.07071	2.4
59.05006	4.3
65.03942	24.1
67.05159	1.2
67.05506	14.8
69.03439	4.0
69.07067	13.7
69.22938	6.6
70.06607	0.7
70.94257	1.9
71.05001	2.9
73.06548	1.6
73.63516	0.7
75.04504	1.6
79.05492	16.2
79.61586	0.6
81.03422	1.4
81.07057	16.3
83.04984	10.9
83.08618	2.9
84.08134	1.0
85.06580	0.7
91.05479	12.3
93.03407	20.3
93.07047	68.4
94.07333	0.7
95.04976	7.1
95.08609	56.5
96.08136	3.5
96.08939	0.8
97.02911	1.0
97.06535	18.9
97.07130	1.2
105.04548	0.7
105.07031	4.8
107.04961	2.5
107.08596	100.0
108.08916	1.2
109.06535	4.0
109.10155	20.9
110.03668	3.8
110.10501	0.8
111.03682	1.2
111.04444	25.0
111.08045	4.1
111.96861	0.8
112.04797	0.9
117.06995	1.1
119.06092	1.1
121.02869	96.7
121.06490	2.7
122.03182	1.3
123.08084	1.9
125.06004	12.2
125.09649	3.9
135.04430	0.7
135.08080	5.6
135.11696	42.0
136.12044	0.8
138.02979	0.7
138.06723	1.5
153.01816	1.1
153.05472	10.2
153.09120	7.9
153.12749	21.9
153.13762	0.8
154.08662	0.8
154.12184	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	153.1275
Annotation	Geranial
Peak:m/z	Relative Intensity
53.03935	2.9
55.01876	4.6
55.05262	1.8
55.05515	32.0
56.96554	3.1
57.03423	3.6
57.07079	4.3
59.05008	9.8
65.03949	13.1
67.05511	16.1
69.03436	5.5
69.07072	100.0
70.06594	1.6
70.07383	0.9
70.94267	6.2
70.95864	1.0
71.04992	4.8
71.08621	1.5
71.60866	1.2
71.95248	2.2
73.06545	2.3
75.04466	1.6
79.01860	1.6
79.05495	19.0
81.03415	1.4
81.03863	0.8
81.07059	17.5
81.25034	0.9
83.04987	29.8
83.08614	3.7
84.08144	1.0
85.06550	3.6
88.95312	1.5
91.05485	11.6
93.03413	8.2
93.07050	34.1
95.04976	9.7
95.08612	17.0
96.08129	13.1
97.06538	92.9
97.10191	1.0
98.06859	1.0
105.07069	4.0
107.01341	1.0
107.04963	3.0
107.08601	40.0
108.08134	0.7
109.06539	5.8
109.10167	24.2
110.03661	2.9
110.10468	0.9
111.04456	16.3
111.08086	8.6
111.96873	2.9
112.11264	1.1
112.62221	0.8
112.99216	1.1
115.85948	0.7
119.08585	2.0
121.02877	1.9
121.04129	1.0
121.06501	3.3
123.11699	2.7
125.02326	1.3
125.06011	10.4
125.08040	0.8
125.09641	1.7
129.97917	1.6
135.04424	3.0
135.08058	3.8
135.11699	15.8
136.07637	0.9
138.03145	1.8
138.06790	1.5
139.03889	2.2
153.01872	3.2
153.05469	9.4
153.06850	1.2
153.07076	1.1
153.09148	8.7
153.12756	28.9
154.05055	1.8
154.06273	1.7
154.08615	1.0
154.12270	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	153.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01862	1.0
55.05257	0.4
55.05511	7.1
55.18980	0.3
56.05034	0.4
56.96555	1.3
57.03427	0.9
57.07070	0.4
58.06600	13.4
59.04995	0.7
65.03941	6.8
66.49844	0.3
67.05508	6.2
68.05030	1.6
68.96325	0.4
68.99766	0.4
69.03446	1.9
69.07071	3.9
70.06590	0.7
70.94257	1.6
70.95844	0.5
71.04991	3.0
71.59377	0.3
71.94074	0.5
71.95261	0.3
73.02881	0.4
73.06548	1.7
75.04483	0.6
79.05045	0.5
79.05492	8.2
80.05012	2.7
81.03418	0.7
81.05768	0.4
81.07056	13.0
82.06577	2.1
82.07364	0.3
83.01316	0.4
83.04981	3.0
83.08611	2.5
84.08154	1.4
91.05482	4.4
93.03410	4.3
93.05786	2.0
93.07045	7.4
94.06542	0.5
95.01331	0.7
95.04969	33.4
95.07349	0.7
95.08603	2.8
96.08129	10.2
96.08748	0.5
97.02873	0.6
97.06538	3.7
103.53510	0.3
105.04558	0.5
105.07030	1.5
106.06563	0.9
107.04970	3.0
107.07397	3.1
107.08590	8.8
107.72275	0.3
108.04485	0.5
108.08118	26.2
109.06540	3.2
109.08421	0.5
109.10146	2.6
110.03647	2.1
110.09679	100.0
111.03690	0.4
111.04445	8.5
111.08068	3.9
111.10000	2.2
111.96858	1.1
112.11269	0.6
115.05450	0.4
117.07013	0.8
120.08114	0.7
121.02866	3.5
121.06503	0.9
121.08934	0.3
121.20114	0.3
125.02413	0.6
125.05994	5.7
125.09647	1.2
126.64204	0.3
129.97961	0.5
130.96355	0.5
134.09657	0.5
135.04425	2.7
135.08076	2.6
135.11703	3.1
136.07579	7.3
136.08525	0.5
136.11214	19.5
137.11476	0.3
138.03107	0.7
138.06622	0.3
148.97475	0.5
150.06700	0.3
152.06343	0.3
152.55806	0.4
153.01848	0.9
153.04117	0.6
153.05507	4.7
153.07220	0.5
153.09114	4.0
153.10223	0.4
153.12730	2.7
153.13892	7.2
154.04924	0.9
154.08621	1.4
154.12280	5.0
157.21651	0.3
168.94916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
52.93707	0.5
53.03938	2.6
55.01861	1.1
55.05513	7.0
56.96550	2.0
57.03438	3.2
57.07077	100.0
57.92170	0.4
58.07410	0.6
59.04991	2.2
60.23996	0.5
62.01532	0.5
63.19864	0.5
65.03928	1.8
67.05505	12.1
69.03419	1.5
69.07069	4.8
69.91505	2.8
70.06592	0.7
70.95866	3.3
71.04991	3.8
71.08641	2.9
72.93792	32.9
73.06538	0.6
79.05492	2.8
81.03394	1.4
81.07062	19.0
83.04984	3.5
83.08623	1.6
84.08097	0.8
85.01569	0.5
85.02915	0.5
85.06545	28.0
85.70753	0.5
86.09721	0.7
88.96859	0.6
90.94832	6.6
91.05460	0.9
93.07049	1.4
95.04970	15.2
95.08613	12.5
96.08125	0.7
97.02882	0.8
97.06505	1.1
97.08447	2.3
97.10168	1.3
97.99116	0.6
98.09091	1.1
98.09695	16.7
98.97565	1.0
98.98482	1.3
99.04439	2.3
99.08082	3.5
105.04504	1.2
108.95902	0.7
109.02861	0.7
109.06525	2.8
109.10155	5.1
110.07162	1.1
110.97589	0.6
111.04442	3.1
111.08088	1.1
111.89013	0.5
111.98458	1.3
113.05988	2.9
113.96401	18.2
123.04420	5.8
125.02375	1.9
127.03905	2.2
127.07539	1.8
129.99583	0.9
131.01889	0.6
131.96097	0.6
131.96445	0.7
131.97444	8.5
132.95840	5.3
137.02322	2.5
137.05978	1.0
137.09644	1.4
137.13266	3.7
140.04698	7.1
150.96904	6.1
154.99068	0.6
155.03397	1.4
155.07011	5.6
155.08420	1.2
155.10637	1.2
155.12646	4.9
155.14331	5.1
156.13782	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	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03936	0.8
55.01875	5.2
55.05494	0.5
56.96573	6.8
57.03416	1.1
67.05496	0.8
68.05027	0.8
69.03413	1.5
69.07075	1.1
69.42879	2.9
69.43301	1.1
70.06593	5.0
71.29827	0.5
71.95264	2.1
72.04504	0.7
72.08152	0.8
72.14560	0.6
79.05523	0.7
81.03400	1.0
81.05786	1.0
84.04512	5.5
84.08153	1.2
86.06058	0.8
87.04492	2.8
94.06569	23.4
95.07357	6.3
96.04494	25.0
96.08134	6.8
97.02874	0.7
97.25765	0.5
98.06065	19.6
98.09668	0.7
98.97588	66.1
99.97900	0.6
100.21909	0.6
102.05544	0.8
110.93607	0.6
112.07601	3.7
112.36412	0.5
112.55758	6.9
113.05946	1.1
114.05534	21.7
116.97388	2.5
116.98627	29.8
122.06030	7.0
123.54973	0.5
126.55442	0.6
128.04941	1.5
130.06529	1.9
131.07352	1.3
133.54663	0.5
134.99670	7.1
135.06741	1.1
138.05507	1.9
140.07069	100.0
141.07382	1.0
141.68875	0.5
142.55101	0.7
143.05536	0.7
143.07324	0.7
144.04430	1.0
149.55870	0.6
150.06277	0.9
152.96890	1.3
158.08142	27.7
158.09549	1.3
158.15399	1.6
158.43625	0.5
159.06821	5.3
163.98409	0.5
175.06311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96267	0.5
55.01861	0.8
55.05516	3.0
56.96283	0.8
56.96566	13.6
57.03440	47.3
57.07077	100.0
58.07402	1.3
59.05007	1.3
61.02929	6.8
65.03938	0.8
67.04244	1.3
67.04572	0.5
67.05512	3.0
69.03441	1.2
69.07069	1.5
70.06624	0.7
71.05000	2.9
71.06943	0.5
71.60520	0.8
71.95261	3.0
72.08167	1.7
76.92947	0.9
76.93369	6.0
79.05479	1.2
79.89596	0.6
80.71092	0.5
81.07059	6.0
82.55346	0.5
83.05015	0.5
83.08595	0.9
84.08173	1.0
85.01154	0.6
85.02922	1.7
85.06548	49.1
86.06895	0.5
87.00840	2.4
87.04465	2.9
89.03949	1.3
90.04271	2.3
90.86162	0.5
91.05486	5.2
92.52545	0.6
93.05802	0.6
94.94433	1.1
95.04971	0.9
95.08632	2.6
98.09702	0.6
98.97588	35.3
99.04474	0.8
99.08124	1.5
99.97919	2.6
100.07638	0.6
102.04076	0.6
103.05479	3.7
103.07585	28.4
104.04951	0.6
105.07030	6.9
108.54458	1.2
113.02371	4.1
113.06065	0.9
114.05566	0.8
115.05438	3.3
116.06273	1.5
116.98627	29.5
117.01902	1.6
117.03366	0.9
117.05795	3.1
117.07024	6.3
117.96004	4.7
117.98954	3.4
118.03735	1.8
118.06586	4.0
118.96820	1.4
119.08578	4.4
119.10238	0.7
123.54972	1.4
127.04823	1.2
128.05011	1.7
128.54218	0.6
128.55386	1.9
129.05573	0.7
129.07018	6.7
130.04790	0.9
130.06561	8.0
130.07794	1.9
130.55034	0.6
131.04898	5.1
131.07321	5.9
131.08606	15.5
131.55717	0.6
132.04507	0.8
132.08116	8.1
133.05240	1.6
133.54578	2.6
134.99661	13.9
135.00607	0.9
135.03922	1.3
135.05768	1.4
135.56084	1.0
135.97052	1.8
136.00011	1.3
136.04729	2.1
136.06573	1.9
136.54915	0.7
137.05515	1.5
137.55833	0.9
140.00247	1.0
140.04991	0.7
140.55341	0.6
141.01839	12.8
141.05722	1.5
141.06950	0.9
141.12750	0.6
142.03688	0.7
142.04681	2.8
142.06566	2.1
142.55077	4.1
143.05453	1.2
143.07343	3.0
143.08461	0.8
144.04492	3.1
144.05751	2.4
144.09335	11.3
144.10356	1.0
144.54858	0.8
145.05267	0.9
145.58609	0.7
146.06039	1.7
147.06818	0.8
149.05533	2.0
149.55911	2.8
150.06247	3.4
150.56473	1.3
151.05244	1.0
151.55602	1.1
153.00774	1.9
157.10204	1.2
158.01335	1.1
158.06042	0.9
159.03094	1.0
159.04526	1.9
159.06836	25.7
159.08066	4.4
159.09152	4.2
159.10214	25.3
159.11752	30.3
159.15831	2.3
159.56970	1.0
160.07578	8.6
160.12120	1.0
172.07530	0.8
175.06319	1.8
177.00790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03950	0.8
53.19147	0.6
53.27251	0.5
57.07085	0.6
67.05504	3.9
70.06591	0.6
72.04491	0.6
76.92883	0.9
76.93356	1.4
79.05496	2.8
81.07049	2.5
83.52900	0.5
85.02902	0.8
91.05488	16.1
93.07053	1.4
94.94447	0.6
98.97567	1.7
103.05423	1.3
105.07037	17.6
113.02344	1.7
114.09190	0.6
115.05473	4.5
116.06233	1.9
116.98638	1.0
117.07024	42.3
117.95985	1.6
118.06569	0.8
118.07328	0.8
119.08588	7.1
128.06277	0.7
129.07016	11.7
130.07803	11.4
131.08577	69.2
132.08910	2.4
141.01837	5.5
142.07776	1.4
144.05670	0.6
144.09352	13.6
157.10159	3.1
159.08105	5.8
159.11699	100.0
159.15807	3.1
160.12061	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.91372	0.6
53.03962	0.8
55.01872	0.6
56.96577	0.8
57.07066	0.8
57.74232	0.6
58.09586	0.7
67.05502	4.8
71.59540	0.8
76.92898	1.3
76.93392	2.3
79.05497	3.6
81.07061	3.1
85.02901	0.7
91.05486	19.6
92.05814	0.9
93.07044	2.1
95.04973	0.7
98.09704	0.5
98.97602	1.6
103.05486	1.6
105.07039	16.4
113.02357	1.9
115.05470	5.9
116.06280	3.4
116.98640	0.9
117.07028	49.8
117.96004	2.6
118.06559	1.3
118.07322	1.0
119.08591	6.3
128.06248	1.4
129.07019	13.5
130.07805	13.5
131.08577	81.9
132.08954	1.6
135.97052	1.1
137.05406	0.6
140.78465	0.6
141.01828	8.2
141.06993	0.8
142.07825	1.1
143.08574	0.9
144.05702	1.0
144.09340	12.4
157.10165	2.8
159.08076	11.6
159.11700	100.0
159.15749	2.7
160.12051	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02377	0.4
53.03962	0.4
55.01890	0.4
55.05521	0.9
55.79848	0.4
56.96573	5.6
57.03440	3.6
57.07076	6.1
67.05514	4.1
67.42942	0.4
71.05053	0.4
71.88387	0.3
76.92885	2.0
76.93383	3.3
79.05485	2.3
81.07068	1.5
85.02891	0.5
85.06544	2.9
87.00842	0.9
91.05485	17.5
93.07072	1.2
94.94424	0.8
98.09641	0.4
98.21596	0.6
98.97600	4.8
99.97944	0.5
103.05506	1.9
103.07584	2.2
104.03143	0.5
105.07036	21.8
113.02341	1.8
115.04169	0.4
115.05459	6.1
116.06256	3.4
116.98631	2.6
117.01859	1.1
117.07027	35.1
117.96009	3.7
117.99019	0.5
118.06602	0.5
118.07365	0.7
119.08586	10.7
126.55306	0.5
128.00829	0.4
128.04970	0.4
128.06206	1.6
129.07010	19.0
130.07797	17.2
131.08574	76.5
132.08047	0.5
132.08902	2.1
134.99686	1.1
135.55829	0.6
135.97026	1.1
141.01826	4.3
141.06995	0.6
142.07805	1.7
143.08601	1.8
144.05681	1.1
144.09346	21.4
145.09644	0.5
154.97824	0.4
157.10147	3.9
159.04456	0.7
159.06763	1.3
159.08073	3.6
159.11696	100.0
159.15771	1.6
160.07663	0.9
160.12071	3.3
163.03963	0.6
164.04266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
50.03018	0.3
55.01884	0.3
67.04256	2.0
71.03868	0.5
74.16280	0.2
79.05504	0.4
83.25530	0.2
91.05485	1.3
92.47063	0.2
94.04202	0.4
105.07036	4.2
107.05002	0.4
115.05460	19.2
116.04976	0.3
116.05784	0.3
117.05766	9.6
117.07044	0.7
118.06535	0.8
119.01916	0.7
130.06529	1.3
131.04929	1.2
131.07288	0.9
132.08099	18.4
133.05249	1.0
133.06496	3.6
133.08359	0.3
142.06540	3.5
143.04929	0.4
143.06111	0.4
143.07292	2.6
144.04439	0.4
144.95963	0.3
145.05191	0.5
146.05983	0.4
159.06807	4.1
159.56981	0.4
160.07585	100.0
161.07899	1.9
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
54.60616	0.1
56.74575	0.1
64.97289	0.2
70.18982	0.6
79.64642	0.2
82.99846	3.4
89.68025	0.1
97.37893	0.1
98.97585	0.2
101.00885	39.0
102.00949	2.2
107.45127	0.2
119.01925	100.0
120.02009	4.2
120.97943	0.2
121.01591	0.3
121.02382	0.4
124.02432	0.4
125.02618	0.2
133.03459	0.4
137.02962	19.5
138.03036	0.7
142.03513	1.1
143.01949	0.3
143.03619	1.3
144.03313	0.4
151.93553	0.2
161.02974	4.5
161.04643	0.7
162.03148	0.2
162.04359	0.2
168.49629	0.2
179.04019	4.9
179.05573	0.3
179.22115	0.1
180.04128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54416	0.7
60.95137	1.0
64.10147	0.7
70.25003	2.5
72.08162	9.3
82.01426	1.0
82.99854	2.8
84.08157	6.0
90.05569	6.3
98.09689	2.8
99.09978	0.8
100.02549	0.9
101.00887	34.3
102.00954	1.1
103.00649	1.1
109.52216	0.9
119.01929	100.0
119.98796	1.9
120.02005	3.7
121.01682	1.6
133.01695	1.6
137.02979	23.1
137.51662	1.0
137.99814	1.1
142.03506	1.4
143.01973	0.9
143.03653	2.4
144.01787	0.9
144.10207	1.4
156.01804	0.8
156.97488	1.1
157.03456	0.8
161.01738	1.2
161.02943	5.5
161.09180	1.1
177.00897	0.8
179.02585	1.4
179.04037	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.72810	0.3
51.02379	0.5
53.03947	3.5
55.01877	5.0
55.05513	0.6
56.96571	0.7
57.07087	0.4
65.03954	0.6
66.04727	1.9
66.37897	0.4
67.05501	0.6
69.03419	0.5
69.07075	0.3
69.65430	0.7
69.65834	1.7
77.03916	0.7
79.05495	21.6
79.18109	0.3
81.03415	0.7
81.07053	1.1
89.03912	1.6
90.04703	3.7
91.05484	7.3
91.08745	0.4
92.02618	0.8
93.07048	1.0
95.04993	3.6
95.08625	0.4
99.64634	0.4
101.95045	0.4
102.04668	0.8
103.05475	26.0
104.05759	0.5
105.04543	1.7
105.07036	100.0
106.07347	1.8
107.04984	1.0
115.05460	29.3
117.07028	1.2
118.04169	20.2
118.07846	0.3
119.08583	6.8
120.97925	0.4
128.06204	0.6
131.04938	5.1
131.08629	0.5
132.05708	1.6
133.06497	46.0
133.10107	4.0
134.06877	0.6
143.05006	0.6
143.06047	5.5
143.08612	0.7
146.03629	1.3
146.07240	0.4
161.05992	9.4
161.07112	0.4
161.09622	5.6
161.10849	0.5
161.13234	4.9
162.05522	0.9
162.09134	0.8
175.44000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01598	0.4
50.38343	0.3
51.02378	0.9
53.03948	3.0
55.01875	4.6
55.05507	1.0
56.96565	0.5
65.03959	0.6
66.04724	1.7
67.05513	1.2
69.03416	0.5
69.07063	0.6
69.63838	2.1
77.03945	1.0
79.05498	20.0
81.03419	0.6
81.07049	1.5
89.03918	1.2
90.04707	3.4
91.05486	7.7
92.02607	0.9
93.07056	1.4
95.04978	2.8
95.08613	0.7
98.21478	0.5
101.95075	0.5
102.04697	0.4
103.05474	22.9
105.03421	0.9
105.04527	1.1
105.07037	100.0
106.07369	1.8
107.04985	0.8
107.08573	0.5
115.05463	27.1
116.05824	0.4
117.07048	1.7
118.04169	17.6
119.04985	0.5
119.08584	9.7
121.06479	0.6
128.06232	1.3
130.04231	0.4
131.04956	4.5
131.08606	0.8
132.05754	1.0
133.06499	46.1
133.10118	6.7
134.05959	0.7
134.06862	1.0
136.87895	0.4
143.04988	0.5
143.06038	5.7
143.08572	1.0
145.02827	0.5
146.03645	2.3
146.07291	1.1
159.11774	0.6
161.05989	13.3
161.06966	0.5
161.09622	7.1
161.10802	0.6
161.13272	6.9
162.05513	3.8
162.09143	1.0
168.90761	0.4
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
51.02384	0.7
53.03954	2.7
54.23893	0.4
55.01876	4.7
55.05499	1.0
56.96562	0.4
59.86452	0.4
63.16582	0.4
65.01443	0.3
65.03906	0.4
66.04720	1.4
67.05505	0.9
67.96435	0.4
69.07062	0.9
70.06571	0.4
70.71245	1.0
72.73781	0.4
73.20486	0.3
77.03915	0.9
79.05495	19.2
81.03413	0.7
81.07062	1.9
83.99651	0.4
87.92966	0.4
89.03921	1.5
90.04700	3.6
91.05482	7.5
92.02621	1.2
93.07048	1.7
95.04970	3.3
95.08622	0.4
102.04700	0.5
103.05472	22.5
104.05792	0.6
105.03413	1.2
105.04521	1.8
105.07034	100.0
106.06693	0.4
106.07373	1.7
107.04955	1.1
115.05456	27.2
117.07024	1.2
118.04168	19.6
118.06543	1.3
119.01912	0.9
119.08578	11.9
128.06230	0.9
131.04932	4.6
131.08559	1.4
131.19075	0.4
132.05685	1.2
133.06494	45.1
133.10129	6.6
134.05966	0.9
134.06866	0.9
137.39130	0.4
142.82866	0.4
143.02025	0.4
143.04936	1.0
143.06026	5.7
143.08545	1.1
146.03621	1.3
146.07245	0.7
161.05989	12.9
161.07018	0.6
161.09599	5.0
161.10728	0.5
161.13248	6.4
162.05476	2.8
177.05571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03949	2.6
55.01874	4.2
55.05499	1.1
65.03941	0.6
66.04707	1.7
67.05492	0.7
69.03426	0.5
69.07069	0.6
69.69525	1.9
70.93237	0.3
77.03911	0.8
79.05495	18.3
79.48062	0.3
81.03428	0.3
81.07057	1.3
89.03918	1.4
90.04693	3.4
91.04955	0.5
91.05486	6.7
92.02608	1.2
93.07058	1.0
95.04966	3.3
97.02963	0.4
98.21507	0.6
102.04685	0.6
103.05470	24.0
105.03398	1.1
105.07030	100.0
106.06676	0.4
106.07352	2.1
107.04965	1.2
115.05460	26.7
117.07003	1.6
118.04165	19.2
118.05015	0.8
119.04436	0.4
119.08583	10.0
122.37357	0.4
128.06181	0.4
131.04926	4.8
131.08578	1.3
132.05713	0.7
133.06493	45.6
133.10133	6.3
134.06868	0.6
143.04987	0.6
143.06052	5.0
143.08530	0.9
144.08067	3.3
146.03665	2.1
146.07248	0.7
146.10976	0.4
161.05980	10.8
161.09625	4.6
161.13252	6.6
162.05533	1.1
162.09094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03945	2.8
55.01876	4.3
55.05502	1.1
56.96560	0.7
62.99060	0.3
65.03947	0.5
66.04724	1.8
67.05511	0.5
69.03427	0.5
69.07072	0.7
70.37099	1.3
77.03932	0.8
79.05497	19.4
81.07055	2.4
87.91149	0.4
89.03928	1.6
90.04712	3.3
91.04947	0.6
91.05483	7.2
92.02595	0.6
93.07054	1.2
95.04971	2.8
98.21325	0.4
102.04697	0.7
103.05476	21.2
104.05764	0.4
105.03394	1.4
105.07037	100.0
106.06664	0.4
106.07367	1.3
107.04984	0.9
107.08624	0.6
115.05461	26.5
116.04975	0.5
116.05766	0.7
116.98566	0.4
117.05739	0.4
117.07034	1.4
118.04169	17.5
118.06541	2.6
119.08589	10.2
121.06460	0.5
127.89359	0.4
128.06221	1.3
131.04935	5.2
131.08586	1.0
132.05695	1.4
133.02875	1.1
133.06500	39.1
133.10129	7.6
133.11053	0.3
134.05933	0.5
134.06836	1.1
136.48398	0.4
143.05008	0.7
143.06038	4.2
143.08577	1.3
144.04443	0.4
146.03600	1.8
146.07280	0.9
149.05971	0.4
154.19440	0.3
161.02365	1.0
161.04601	0.7
161.05986	11.1
161.07982	2.2
161.09628	7.2
161.13269	7.3
162.05478	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03946	3.1
55.01872	4.3
55.05507	0.5
56.96556	0.4
58.99592	0.7
65.03944	0.4
66.04725	2.1
67.05517	0.4
69.03419	0.6
69.07063	0.8
70.93401	0.6
70.93711	0.5
75.71474	0.3
77.03933	1.2
78.43375	0.4
79.05497	19.5
81.03433	0.4
81.07063	1.1
89.03929	1.4
90.04701	3.6
91.05486	6.0
92.02631	1.0
93.07033	1.1
95.04968	4.1
98.97574	0.4
101.00883	0.6
102.04665	0.9
103.05472	23.9
105.04552	1.2
105.07034	100.0
106.07388	1.9
107.04959	1.1
115.05460	29.5
116.01723	0.7
116.05759	0.8
117.07032	1.2
118.04163	20.0
119.01917	1.1
119.04961	0.4
119.08583	8.4
120.08057	0.3
121.06512	1.0
128.06212	0.4
131.04933	5.2
131.05823	0.6
131.08580	0.7
132.05736	1.4
133.06497	48.4
133.10101	4.2
134.05998	0.9
134.06876	0.4
143.05000	0.7
143.06050	5.1
143.08569	1.0
144.08104	0.9
145.06480	0.6
146.03645	1.5
146.07292	2.4
161.05997	10.9
161.07175	0.8
161.09618	7.9
161.10886	0.7
161.13263	2.9
162.05470	2.7
162.09135	0.4
179.50450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	3.7
55.01866	2.1
55.05510	5.4
56.96552	2.7
57.07046	0.9
65.03925	1.5
67.05164	1.3
67.05505	24.7
69.03429	0.9
69.07076	7.9
71.34560	1.9
77.03945	0.9
79.05496	39.2
81.07058	34.1
83.02663	0.8
83.62440	0.8
85.02886	1.3
91.05481	64.8
92.05796	1.3
93.07049	30.3
95.04986	4.2
95.08041	1.1
95.08611	13.8
103.05461	7.6
105.03377	1.2
105.07035	88.4
106.07319	1.6
107.05063	0.8
107.08585	4.9
115.05447	6.0
117.07018	7.1
118.04155	2.6
119.08587	61.4
119.95796	1.2
120.08080	1.8
120.09412	1.1
121.06525	1.3
128.06248	1.4
131.04913	1.4
131.08572	2.9
132.09335	1.1
133.06496	10.7
133.10133	40.5
134.05991	2.1
143.05997	1.3
143.08563	2.6
146.07275	2.7
147.05052	2.2
159.11708	2.9
161.04718	1.6
161.05988	6.3
161.07181	1.7
161.09647	16.4
161.13261	100.0
162.05518	3.8
162.09171	3.7
162.13596	1.5
170.06615	2.1
180.71712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.87365	0.5
53.03946	2.6
55.01871	3.1
55.05511	5.7
56.96581	0.7
66.04740	0.7
67.05511	2.7
69.03427	0.9
69.07073	6.1
71.61122	0.5
79.05496	16.6
81.07060	5.6
87.78703	0.5
89.03944	1.1
90.04713	2.1
91.05482	16.3
93.07045	5.2
95.04966	3.1
95.08604	1.7
97.02889	0.7
98.97581	0.6
102.04714	1.2
103.05466	16.1
103.06120	1.0
103.46619	0.6
104.05774	0.7
105.03397	1.3
105.04528	1.5
105.07034	100.0
105.23493	0.6
106.07372	1.8
107.08583	2.4
115.05464	18.6
117.07028	4.6
118.04176	10.7
118.06573	1.4
119.08584	66.7
120.08122	0.7
120.08903	1.2
121.06528	0.7
121.10146	2.4
128.06215	1.8
129.07074	0.6
131.04951	3.3
131.08568	6.0
132.05742	1.0
132.09352	1.3
133.06494	29.3
133.10135	28.0
134.06000	1.1
143.04953	0.9
143.05989	3.1
143.08545	2.0
145.10127	0.8
146.03641	2.0
146.07294	1.6
146.10941	2.1
159.11726	2.1
161.05974	11.1
161.07193	1.0
161.09639	9.6
161.13260	37.5
162.05489	3.2
162.09068	0.7
162.13666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03944	0.9
55.05513	6.5
62.95405	0.3
65.03931	0.3
67.05507	0.6
69.07069	2.4
70.38176	0.5
70.38554	0.7
79.05490	3.2
81.07059	1.3
90.21294	0.3
91.05476	8.5
93.07038	1.5
95.04970	0.7
103.05469	3.2
104.06248	0.7
105.07030	22.2
107.08588	1.8
115.05452	2.5
117.07024	3.4
118.04188	1.6
118.07621	0.2
119.08578	100.0
120.08884	1.8
121.10138	3.3
128.06174	0.3
131.04918	0.5
131.08562	2.6
133.06503	3.5
133.10126	17.9
134.06017	0.3
143.06061	0.5
143.08551	0.5
146.07242	0.4
146.10893	1.0
159.11682	1.0
161.05971	1.0
161.09618	2.0
161.13254	20.1
162.05475	0.7
162.13754	0.3
170.56001	0.3
177.02847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
53.03947	2.0
60.66529	0.5
63.02383	2.2
65.03947	0.6
67.10680	0.5
69.08485	0.5
69.80471	3.0
69.80843	1.3
77.03931	1.6
79.05491	11.9
89.03918	87.0
90.04279	0.9
91.05513	0.6
95.04990	2.0
98.21425	1.1
103.05415	0.6
104.34698	0.6
107.04952	14.2
109.57528	0.5
109.67410	0.6
117.03380	71.4
118.03719	1.4
131.04958	1.5
135.04417	100.0
136.04745	1.9
145.02846	42.9
145.03850	1.5
146.03171	1.1
163.03908	72.7
164.04248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03944	2.0
57.49183	0.6
58.44442	0.5
59.68525	0.5
61.58749	0.5
63.02373	2.4
65.67310	0.5
68.54707	0.6
69.80003	1.0
69.80408	2.7
75.93813	0.6
77.03922	0.8
77.21023	0.5
79.05492	11.2
89.03920	78.2
90.04293	0.9
91.05489	0.6
95.04964	3.1
98.20823	1.2
99.13713	0.5
105.04516	0.9
106.23621	0.6
107.04961	13.9
117.03382	65.5
118.03730	1.4
135.04420	100.0
136.04729	2.2
145.02858	42.6
145.03880	1.6
146.03192	0.8
158.05965	0.7
162.29338	0.6
163.03914	77.7
164.04254	1.9
177.59982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02379	1.0
53.00318	1.8
53.03947	4.5
55.01873	2.6
55.05502	0.6
56.96563	0.9
57.03428	0.8
57.07089	0.5
63.46005	0.3
65.03933	1.8
67.05520	1.9
69.03436	1.5
69.07066	1.2
76.84436	0.4
77.03937	1.6
79.05495	28.6
80.05801	0.4
81.03403	0.9
81.07051	3.1
82.31302	0.4
83.08633	0.7
85.02917	0.5
89.03919	12.3
89.04467	0.6
91.05482	16.8
92.02636	0.5
92.06297	0.8
92.54198	0.4
93.03459	0.3
93.07047	6.0
95.04973	9.8
95.08595	2.0
98.97590	0.8
100.02510	1.9
103.05472	35.1
105.03415	1.0
105.04511	2.6
105.07034	29.3
106.06540	0.7
106.07320	0.4
107.04958	100.0
107.08591	10.5
108.05272	2.2
108.08098	0.4
109.06487	0.7
115.05455	15.0
117.03382	9.1
117.05772	0.6
117.07021	4.4
118.03552	0.8
119.01821	0.7
119.04935	1.5
119.06045	0.4
119.08583	1.6
120.05724	5.0
121.06521	2.9
121.10143	3.4
122.03677	0.5
128.02318	0.4
130.06543	0.9
130.07771	0.5
131.04932	20.3
132.02159	0.7
132.05295	0.4
132.08099	1.3
133.02855	3.8
133.06473	0.9
135.04428	19.3
135.08055	45.0
135.11636	2.0
136.04762	0.7
136.07538	0.5
136.08455	0.8
145.02856	6.5
145.03928	0.7
145.06485	1.2
145.07649	1.0
145.10097	3.4
148.05219	1.8
148.08888	0.3
163.03912	34.5
163.07545	28.0
163.11177	8.6
163.12340	0.8
163.14821	3.3
164.04349	0.7
164.08012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02360	1.5
53.03949	10.9
55.01868	5.5
55.05512	7.2
55.13451	1.5
57.03429	4.2
57.07079	1.3
63.02368	2.3
65.03928	2.8
67.05490	5.5
68.82212	1.2
69.03446	14.2
69.07062	6.1
69.27318	12.2
71.05004	2.2
71.40244	1.2
74.06080	3.2
77.03915	2.3
79.05498	40.7
81.03387	2.0
81.07059	25.1
83.04985	5.4
85.02882	4.6
89.03389	2.6
89.03925	47.6
91.01412	1.3
91.05484	27.4
92.02656	1.5
92.89292	1.5
93.07047	46.7
93.07619	3.0
95.04965	17.6
95.08616	7.0
100.02498	2.0
103.04776	2.8
103.05470	56.9
105.03394	4.1
105.04531	4.5
105.07040	38.5
105.07752	2.2
106.06570	2.1
107.04961	25.6
107.08599	60.3
109.06502	3.5
109.50063	1.3
111.03901	1.5
115.05470	4.4
117.03384	42.7
117.05737	3.0
117.07020	14.4
119.08581	18.0
120.05685	2.2
121.06493	12.3
121.10147	48.6
121.90939	1.3
124.52375	1.4
128.06224	2.2
128.64590	1.5
129.07008	3.7
130.06555	3.9
130.07785	15.7
131.04935	64.9
131.05930	3.3
132.05278	2.5
132.08084	4.2
133.02850	10.4
133.06520	3.9
133.10156	3.3
135.04420	76.9
135.08051	6.8
135.11703	27.2
136.07562	3.3
143.08522	3.4
145.02856	29.5
145.03966	2.8
145.06508	3.8
145.10124	60.0
147.08058	3.5
148.08820	3.8
163.03912	100.0
163.06001	3.3
163.07518	22.9
163.11182	98.9
163.12274	5.1
163.14761	7.8
164.04294	2.8
164.07083	4.8
164.11551	1.5
177.15996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	1.4
52.55952	1.0
53.03949	11.3
55.01620	1.1
55.01875	17.3
55.05515	8.7
56.96558	3.8
57.03437	5.4
63.02353	2.1
65.03952	2.1
67.05512	19.4
69.03433	8.8
69.07066	10.4
69.77574	6.9
71.04975	2.3
77.03925	3.4
77.77564	0.9
79.05498	62.2
80.05832	2.0
80.90933	1.1
81.03421	6.5
81.07058	23.2
82.01438	1.9
83.04972	4.0
85.06537	1.3
89.03923	48.7
89.04474	2.5
90.16158	1.1
91.04958	1.7
91.05492	30.9
91.22015	1.1
92.06290	1.2
93.07051	57.6
95.04974	20.7
95.08614	20.4
97.06518	3.0
98.97607	2.6
100.02473	5.0
103.05473	46.6
105.03372	2.5
105.04512	4.0
105.07042	32.2
106.06604	1.5
107.04964	41.3
107.08601	50.2
109.06515	5.2
110.01302	2.2
115.05485	7.2
116.06241	2.2
117.03392	36.1
117.07024	40.8
118.03548	3.3
119.01922	2.2
119.05000	2.0
119.08595	17.6
120.68424	1.0
121.06507	21.2
121.10158	18.9
123.67863	1.2
128.06136	1.4
129.06996	2.9
130.06639	2.5
130.07790	12.8
131.04002	2.4
131.04941	40.7
132.08084	4.6
133.02864	9.4
133.06459	2.0
133.10124	3.9
135.04425	70.1
135.08052	14.6
135.11700	23.6
136.04720	1.8
136.07556	1.2
143.08548	3.7
145.02855	28.3
145.03911	1.8
145.06497	4.9
145.10130	49.1
145.55191	1.2
148.08823	3.3
163.03917	100.0
163.07545	18.4
163.11188	82.3
163.12271	3.6
163.14822	5.5
164.04285	1.9
164.07037	2.3
164.11589	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02378	0.9
53.03952	4.2
55.01869	3.2
55.05510	7.0
56.48919	0.6
57.03435	1.4
57.07059	1.0
59.43680	0.6
63.02388	1.0
65.03946	2.1
67.05505	6.7
69.03425	2.5
69.07071	18.1
77.03947	2.3
79.05494	28.6
81.03424	0.8
81.07059	34.0
83.04982	0.9
83.08632	5.1
85.02899	2.0
89.03917	22.3
91.05481	17.2
91.06063	0.9
92.02623	0.9
92.06290	0.8
93.03416	0.8
93.07047	51.6
95.04967	7.2
95.08607	18.7
97.06521	0.6
98.97594	0.8
103.05471	25.6
105.03400	1.9
105.04539	1.8
105.07035	16.8
105.07750	0.9
106.06561	1.1
106.07357	0.7
107.04966	11.0
107.08595	100.0
108.08898	0.8
109.06513	7.5
109.10156	1.5
115.05443	1.6
115.42509	0.6
117.03377	17.8
117.07030	6.1
119.01814	0.7
119.04939	0.9
119.06075	0.9
119.08582	10.9
121.06504	4.1
121.10143	49.3
122.10440	0.8
123.08096	1.0
127.07576	4.0
128.03255	0.6
130.06552	1.3
130.07794	4.3
131.04930	25.9
132.05284	0.6
132.08101	2.4
133.02847	4.8
133.06505	0.8
133.10150	0.8
135.04422	37.3
135.08046	4.5
135.11699	17.4
136.04761	1.2
136.07559	1.0
143.08548	1.6
145.02861	12.2
145.03963	1.5
145.06494	2.4
145.10133	25.3
148.05200	1.8
148.08846	1.0
163.03914	44.5
163.06108	1.5
163.07529	13.6
163.11185	33.4
163.12262	1.7
163.14822	35.3
164.04292	0.8
181.02864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02368	1.0
53.03700	0.8
53.03949	13.5
55.01866	2.1
55.05300	0.7
55.05515	10.0
56.96571	1.6
57.03426	1.3
57.07062	2.1
61.01318	0.7
61.02930	6.4
61.08345	0.8
65.03948	0.7
67.05506	24.9
69.03417	1.8
69.07068	10.4
71.04988	1.1
71.50299	1.1
72.69686	0.6
73.02902	3.0
77.03931	2.9
79.05495	64.7
80.05835	1.0
81.03413	1.8
81.07059	41.9
82.01443	1.1
83.04946	1.0
83.08627	6.5
85.02905	4.7
89.03914	4.2
91.03969	1.4
91.05481	15.6
92.02627	4.4
93.07046	58.8
94.07400	1.3
95.04351	0.8
95.04971	15.7
95.08607	39.9
97.02865	1.5
97.10159	2.2
98.97562	1.1
100.02493	4.7
103.05466	3.0
105.03412	5.6
105.04504	5.2
105.07029	9.1
106.06552	1.0
107.04963	5.8
107.08597	54.7
108.08898	1.3
109.06535	1.2
109.10142	2.6
110.01294	1.3
115.05426	1.4
117.03363	2.0
117.05791	1.2
117.07040	3.4
118.03512	2.2
119.01823	1.8
119.04947	0.7
119.06043	0.8
119.08569	3.9
120.02058	0.7
121.06517	2.5
121.10146	69.8
122.10512	1.3
130.06525	3.0
130.07710	1.6
130.52518	0.7
131.04942	2.5
132.08119	3.7
133.02855	27.5
135.04420	31.5
135.08000	3.7
135.08958	0.7
135.11713	10.0
136.04834	0.9
145.02888	1.6
145.06476	1.6
145.10095	6.8
163.03909	100.0
163.07542	2.4
163.11182	16.0
163.12360	1.8
163.14824	47.6
164.04243	2.6
164.07069	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02380	1.3
52.10434	0.9
53.03957	11.7
55.01867	1.4
55.05518	8.7
55.19059	0.9
56.96569	1.6
57.03428	1.0
57.07054	2.1
67.05169	1.8
67.05507	26.6
69.06770	0.9
69.07077	12.1
71.40890	1.1
73.02943	0.8
73.09689	0.8
77.03931	2.7
79.05496	58.7
80.05818	0.9
81.03403	2.4
81.07063	46.5
82.01445	1.1
82.97692	0.9
83.08607	6.5
89.03927	2.2
91.05487	17.2
92.02626	3.2
93.07048	59.8
95.04971	14.6
95.08607	42.8
95.09232	2.0
97.10168	1.9
98.97570	1.4
100.02503	5.8
103.05468	2.7
105.03389	3.7
105.04539	5.6
105.07029	5.7
106.06556	1.5
107.04964	4.9
107.08600	53.9
108.08919	1.0
109.06532	1.3
109.10156	3.1
117.07025	3.6
118.03519	2.5
119.01816	1.3
119.04949	1.0
119.08579	4.3
120.02106	1.3
121.06549	1.3
121.10149	69.3
130.06548	2.9
130.07622	1.0
131.04930	1.9
132.08115	4.4
133.02863	26.7
135.04422	31.4
135.08060	1.8
135.11685	8.3
145.02840	1.6
145.06505	1.6
145.10132	3.8
155.65494	0.9
161.13152	1.1
163.03914	100.0
163.07579	2.7
163.11171	15.0
163.12387	2.1
163.14824	53.2
164.04271	2.7
164.10574	0.9
178.13258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	0.6
52.07011	0.5
53.03946	3.6
55.01868	1.1
55.05513	9.1
56.96565	0.7
57.07077	4.1
65.03946	1.0
67.05505	3.8
69.03420	3.0
69.07069	22.2
69.07452	1.2
71.59729	0.7
74.06081	0.9
77.03928	1.6
79.05493	20.8
79.05955	1.3
81.07056	9.3
82.15959	0.6
83.08622	7.9
83.71671	0.5
89.03387	1.3
89.03913	14.6
91.05480	21.6
92.02573	0.6
93.07045	40.3
94.07377	0.6
95.04969	5.0
95.08610	7.9
103.05472	11.1
103.09598	0.6
105.04536	1.5
105.07029	20.4
106.06598	1.1
106.07822	0.9
107.04955	8.3
107.08594	100.0
108.08871	1.7
108.09496	0.9
109.06518	3.1
109.10159	2.1
115.05426	1.4
117.03381	12.6
117.05692	1.0
117.07018	3.0
119.06075	2.1
119.08575	12.2
120.08029	0.9
120.09388	1.1
121.06497	2.9
121.10141	65.3
122.10464	1.2
123.08059	2.1
123.17386	0.6
130.06511	1.3
130.07753	1.5
131.04929	12.6
132.08121	1.7
133.02843	4.3
133.07611	1.1
133.10092	1.6
135.04416	25.1
135.08107	2.7
135.11694	57.6
136.04689	0.6
136.07541	1.0
136.12041	1.5
137.09590	0.8
140.53410	0.6
145.02861	9.7
145.03952	1.2
145.06499	1.4
145.10118	6.1
163.03906	37.4
163.07536	5.8
163.11182	15.2
163.12454	1.4
163.14819	22.7
164.04262	0.8
164.07118	0.9
175.19370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02390	0.8
51.76265	0.6
53.03949	3.8
55.01876	2.3
55.05518	6.6
56.96583	0.7
57.07096	0.9
65.03951	1.9
65.49588	0.6
67.05506	5.6
69.03424	2.7
69.07068	21.6
77.03941	1.9
79.05498	27.9
81.07059	28.0
83.08623	5.4
85.02914	1.5
89.03922	20.3
91.05486	15.7
92.02638	1.2
93.07048	46.4
95.04964	5.6
95.08611	18.1
100.02496	0.7
103.05470	24.3
105.03417	1.9
105.04532	1.9
105.07029	15.0
107.04958	12.1
107.08598	100.0
108.08208	0.7
108.08921	1.9
109.06530	5.3
109.10188	1.3
115.05429	2.0
116.38755	0.7
117.03388	17.3
117.07030	4.9
118.03558	0.7
119.06130	0.8
119.08585	9.0
120.02093	0.8
121.06515	3.6
121.10152	45.9
122.10501	1.0
123.08044	1.0
127.07561	1.9
130.06538	1.7
130.07799	3.3
131.04938	24.9
132.08058	1.5
133.02863	4.1
133.07571	0.9
134.06044	0.8
135.04428	34.6
135.08067	3.8
135.11700	18.3
136.07579	1.7
145.02855	13.0
145.03955	1.5
145.06487	1.6
145.10129	15.8
148.05183	1.9
148.08836	0.8
163.03912	43.0
163.07535	12.5
163.08778	1.3
163.11185	25.3
163.12257	1.1
163.14828	40.0
164.07016	1.2
164.15099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60627	0.6
71.58160	0.9
74.01323	0.6
82.01464	1.0
82.99850	7.1
95.36238	0.6
100.02503	1.1
101.00890	57.5
102.01017	0.7
115.60529	0.5
119.01928	100.0
120.02017	1.9
124.02450	9.3
137.02963	13.1
139.03514	0.7
142.03510	65.7
143.03656	1.1
160.04552	9.3
165.05135	1.3
171.48894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59414	0.4
70.99857	0.4
71.53292	0.5
71.53622	0.6
73.67499	0.6
82.99847	7.4
90.27168	0.5
100.02492	1.6
101.00887	57.4
102.00957	0.9
119.01928	100.0
120.02048	1.8
124.02470	9.0
124.67744	0.6
137.02965	14.0
142.03510	71.8
143.03654	2.2
160.04575	12.3
165.05173	0.8
172.18665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	0.5
66.98954	0.4
69.81780	2.6
82.01422	0.6
82.99846	7.8
95.04956	0.7
100.02488	1.1
101.00887	57.9
102.01019	1.2
119.01928	100.0
120.02026	1.8
121.02406	0.7
123.04362	0.7
124.02458	8.7
133.03554	0.5
137.02965	14.5
142.03513	76.4
143.03664	1.9
160.04561	12.3
165.05121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01859	3.5
55.05506	11.7
57.03437	26.8
57.06187	1.9
57.80056	1.6
59.04977	1.8
61.02925	22.0
65.03936	3.1
67.05507	13.6
69.03431	100.0
71.05000	8.9
71.16671	2.2
73.02896	7.5
73.81570	2.0
75.45172	1.6
77.62031	1.7
81.03425	14.1
81.04539	1.6
81.07045	5.2
81.44681	1.7
83.02045	1.7
83.02464	14.1
83.04536	2.3
83.04987	34.3
83.06063	3.2
85.02408	2.9
85.02905	46.5
87.04451	2.4
91.03931	3.7
91.05463	9.9
95.04993	8.7
95.08602	4.1
99.04450	17.3
103.03901	3.7
107.04927	1.9
107.06095	3.9
109.06510	3.9
109.10143	12.1
111.04445	13.8
116.56044	1.9
119.04966	8.4
119.08598	10.5
122.07249	7.7
123.07943	16.7
124.05094	2.6
124.08733	16.1
127.46185	1.7
129.05460	7.6
137.09627	27.8
142.67079	2.1
147.04413	15.0
147.06480	5.1
147.07906	1.6
165.07574	10.7
165.09077	61.3
165.11261	3.1
165.12666	4.4
165.47653	1.7
166.04912	2.1
166.09616	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	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03947	0.8
53.07100	0.4
54.92016	0.4
55.01866	1.4
55.05514	4.4
56.96568	0.9
57.03436	3.7
57.07085	2.2
59.04994	0.7
61.02922	1.5
65.03930	1.1
67.05509	10.7
69.03435	8.7
69.07079	4.4
69.64117	1.6
69.64525	1.1
71.04990	1.6
71.08643	1.0
77.03915	0.5
79.05497	7.9
81.03434	2.4
81.07060	16.3
82.99840	0.9
83.04987	4.6
83.08617	1.6
85.02901	3.1
91.05485	12.5
93.07049	13.2
94.04185	1.0
95.04980	8.4
95.08613	14.3
97.06532	1.3
99.04432	0.8
100.02496	0.6
101.00889	6.6
103.03938	0.6
103.05479	1.6
105.03400	0.5
105.07034	11.9
106.32134	0.4
107.04983	1.9
107.08603	11.1
109.02898	0.5
109.06525	18.8
109.09438	0.8
109.10163	11.6
111.04468	1.0
114.35663	0.4
117.07014	1.6
119.01929	17.4
119.04955	7.5
119.05800	0.7
119.08589	19.4
119.09452	1.0
120.02041	0.5
120.08099	1.6
121.06511	1.6
121.10149	21.0
122.03679	0.6
122.07299	8.2
123.04398	0.7
123.08073	11.1
123.11726	4.6
124.02466	0.9
129.05484	0.8
133.02855	1.4
133.06494	0.7
135.08060	2.8
137.03003	4.0
137.06003	1.8
137.09624	100.0
137.13161	2.0
138.09964	1.7
142.03519	10.9
142.04625	0.4
145.10092	0.7
147.04419	12.1
147.08041	1.4
147.11703	8.0
148.04912	0.6
150.10422	5.1
160.04550	2.0
165.01842	0.5
165.05548	2.3
165.06717	0.6
165.09099	6.3
165.12766	38.5
166.08629	0.6
166.13129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03944	3.0
55.01868	3.3
55.05513	11.5
56.96576	1.5
57.03435	9.2
57.07066	6.3
59.04998	4.4
61.02912	2.6
65.03935	4.1
67.05170	2.3
67.05508	40.8
68.00294	1.3
69.03431	25.1
69.07069	10.8
70.87323	2.4
71.04989	4.4
79.05493	18.3
81.03423	6.9
81.07059	41.5
82.99837	1.6
83.04982	11.3
83.08604	3.6
85.02890	5.9
91.05484	36.2
93.07030	15.1
95.04974	61.6
95.08038	2.9
95.08610	40.1
97.06510	2.2
99.04472	3.1
101.00885	26.5
103.05467	3.1
105.07027	21.3
106.07331	1.7
107.04949	5.6
107.08595	51.8
108.08927	1.8
109.06523	33.2
109.10166	9.7
110.07285	4.0
111.04472	2.7
117.07036	3.2
119.01925	55.5
119.04935	24.2
119.08582	46.9
120.02057	1.6
120.08092	7.9
120.08865	2.1
121.06477	2.5
121.10156	14.0
123.04428	3.9
123.07183	2.7
123.08075	44.2
123.11719	34.0
124.02443	4.6
124.08389	1.6
129.07059	2.5
132.05716	4.4
133.02826	3.9
136.08813	3.0
137.02968	9.6
137.05966	5.2
137.09618	11.5
137.13272	6.6
142.03508	39.4
147.04420	38.6
147.08037	23.1
147.11690	13.9
160.04578	6.2
165.01881	1.5
165.05449	4.9
165.06689	1.8
165.07687	1.9
165.09079	11.7
165.12766	100.0
165.56613	3.4
166.05034	3.2
166.13104	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	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03935	2.3
55.01857	2.7
55.05506	5.1
56.96553	1.7
57.03450	5.8
57.07061	2.3
61.02913	2.7
64.48537	0.7
65.03922	1.4
66.71941	0.8
67.05502	13.0
69.03432	12.1
69.07084	5.3
71.04987	2.6
71.08624	1.5
71.60034	0.9
71.60439	0.8
79.05504	8.7
81.03412	2.7
81.07058	20.6
82.99834	1.4
83.04990	6.9
83.08618	2.5
85.02917	4.4
91.03935	1.0
91.04948	1.4
91.05479	16.1
93.07047	11.3
95.04976	7.1
95.08606	18.6
99.04468	1.7
100.02483	0.9
101.00878	12.3
101.02525	0.9
103.05461	1.8
105.07030	15.6
107.04943	2.5
107.08599	11.0
109.06525	21.5
109.10163	10.9
111.04465	2.1
117.06992	1.7
119.01923	31.0
119.04941	12.6
119.07781	1.4
119.08583	21.1
120.01992	0.9
120.08115	1.5
121.06490	1.3
121.10142	25.7
122.07299	8.8
123.04448	1.3
123.08073	13.4
123.11739	4.4
124.02460	2.6
128.97816	1.2
129.05457	1.0
133.02888	2.3
135.08051	3.9
135.95039	0.8
137.02994	7.4
137.05975	3.2
137.09619	100.0
138.10052	1.8
142.03503	23.6
147.04411	19.8
147.08040	1.9
147.11687	8.2
150.10384	4.8
160.04570	5.6
165.01863	1.5
165.05513	4.2
165.07719	1.2
165.09079	7.1
165.12755	38.6
166.05002	1.0
166.13144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06168	0.6
53.03940	1.2
55.05513	6.9
56.05027	2.6
56.96569	23.7
60.05396	0.6
65.03931	1.1
67.05498	5.3
68.05029	3.4
68.87141	0.7
69.03433	38.2
69.07066	2.8
70.04012	2.3
70.06596	18.8
70.67583	0.6
71.04975	1.0
73.37331	0.6
76.92294	0.7
78.04726	1.1
79.05499	13.5
80.05026	3.1
80.05822	0.6
80.96529	0.6
81.03422	1.0
81.07061	46.8
82.06586	2.0
82.07378	1.0
83.04974	0.8
83.08636	0.8
83.93060	3.1
83.97649	1.3
84.01191	0.8
84.04503	2.1
84.05302	1.0
84.08137	2.4
84.96031	2.6
85.02915	0.6
86.06070	40.3
87.04459	0.8
91.05486	2.6
92.05804	1.1
93.07035	2.5
94.06583	1.8
95.04975	1.4
95.08614	1.9
96.04471	0.7
96.08137	25.6
98.06061	100.0
98.09704	1.5
99.06397	1.3
101.00880	2.0
101.02583	0.7
101.96291	1.3
102.00961	4.0
102.02233	6.3
103.00647	1.2
103.05476	1.4
105.07056	1.1
106.04227	0.7
107.04972	1.3
107.08604	1.7
108.04472	1.6
108.08111	0.8
109.06542	0.8
110.06099	0.8
110.09711	0.9
110.96838	3.5
112.07609	21.8
118.06567	0.9
119.01929	5.8
119.95148	1.2
119.97333	17.5
120.02039	18.4
120.03289	2.5
120.05303	1.7
120.08116	9.1
120.08910	1.0
121.01673	5.3
121.06520	1.7
121.10143	1.5
122.02444	0.6
123.04444	2.5
124.07600	73.3
125.02473	1.4
125.07965	0.9
128.97850	25.0
129.48035	0.7
131.48116	7.0
136.07574	3.3
136.54427	0.9
137.02934	1.3
137.98370	12.1
138.03062	4.7
138.05524	1.7
138.09094	0.9
138.10002	0.9
138.12770	0.9
139.02771	0.8
139.07549	1.0
140.48651	7.1
142.03532	2.2
142.96696	8.9
142.98982	1.2
143.00117	1.5
143.03622	17.1
144.03305	2.4
148.04875	3.0
148.11203	1.8
149.02322	0.8
149.09630	0.8
149.49199	2.6
151.99509	1.0
161.01239	1.5
161.04683	3.3
162.04361	1.7
165.56575	0.8
166.05006	6.1
166.08575	8.7
166.12280	18.8
167.07079	8.3
167.08530	0.7
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
51.02359	0.5
52.03158	0.4
53.03950	2.4
53.85345	0.3
55.01864	1.2
55.05507	0.7
55.48997	0.3
56.96551	1.0
57.03411	0.3
58.38726	0.3
65.03928	1.1
65.94672	0.3
66.04703	0.3
67.05499	1.2
68.99784	0.5
69.03419	0.6
69.07048	0.7
69.93938	0.7
69.94353	1.0
70.06584	1.3
73.02906	0.8
77.03931	0.8
78.04716	9.6
79.05502	12.3
81.03418	1.0
81.07063	2.5
83.04967	0.9
83.08647	0.4
85.02875	0.4
91.05488	7.1
93.03404	0.7
93.07054	9.8
94.04169	0.8
95.04980	3.1
95.08601	0.5
96.05732	1.0
97.06528	1.1
98.97617	0.3
103.00638	1.5
103.04170	0.3
103.05453	0.9
105.03412	1.1
105.04502	1.2
105.07003	0.5
106.03534	0.5
106.04185	5.0
107.04951	2.9
107.08615	2.9
109.02869	1.6
109.06542	1.5
110.06010	0.3
111.04462	0.7
111.08096	0.4
119.04931	0.3
121.01678	3.0
121.02869	7.7
121.06511	7.0
121.10145	2.2
122.03621	1.0
123.04441	18.3
123.08078	1.2
123.27604	0.3
124.05234	5.1
125.05998	0.9
125.09634	0.6
131.07359	0.4
131.08569	0.4
134.03630	1.3
135.04417	1.2
137.05991	1.2
139.02728	0.9
139.07573	1.9
139.11227	0.4
140.07111	0.6
144.03200	2.2
149.02341	1.2
149.06001	5.0
149.09631	0.9
150.03055	0.5
150.06322	0.5
151.03929	3.3
152.04689	3.2
152.05818	0.5
159.06793	2.4
162.04391	0.5
167.07051	100.0
168.07458	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03730	0.3
53.03949	2.8
55.01873	1.9
55.05514	0.6
65.03938	0.6
67.05489	0.8
68.99789	0.4
69.03416	1.1
69.07056	0.4
70.06590	0.7
70.36805	0.9
73.02911	1.0
77.03934	1.1
78.04710	1.9
78.94974	0.3
79.05497	14.0
81.03410	0.6
81.07062	2.9
83.04972	0.6
91.05483	12.7
92.05829	0.4
93.03398	0.3
93.07048	17.3
94.07359	0.5
95.04987	3.2
97.06532	1.3
103.00613	0.7
103.05461	1.3
105.04537	1.4
105.07047	0.3
106.04168	1.1
107.01301	0.4
107.04962	2.3
107.08610	0.9
109.02944	0.3
109.06489	0.7
111.04435	0.4
111.08081	0.3
119.04916	0.5
121.01675	1.1
121.02871	8.4
121.06512	12.4
121.10155	0.6
123.04430	4.3
123.08076	0.9
124.05239	1.3
135.04442	0.3
137.06003	0.4
139.07550	1.1
140.06978	0.3
144.03206	0.6
149.05983	9.5
149.09602	0.5
150.06375	0.4
151.03949	0.7
152.04727	0.7
159.06825	0.6
162.04320	0.3
167.07045	100.0
168.07416	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.17519	0.3
51.02366	0.7
52.03156	0.4
53.03952	2.2
55.01862	1.5
55.05517	2.0
56.96555	0.6
57.03414	0.7
57.07076	0.4
59.04990	0.4
62.31429	0.3
65.03935	1.1
66.04720	1.1
67.05508	3.1
68.99769	0.5
69.03424	1.5
69.07066	3.7
70.77559	0.9
70.77893	0.4
71.04987	1.2
77.03933	0.8
78.04716	16.8
79.05048	0.6
79.05495	11.3
81.03426	1.1
81.06644	0.4
81.07068	4.8
83.04999	2.4
83.08599	0.6
83.61671	0.3
84.96033	0.5
85.02901	0.6
91.05482	3.0
93.03396	0.6
93.07043	5.6
94.04182	1.5
95.04973	4.4
95.08606	3.2
96.05750	1.5
97.06539	2.1
102.20055	0.4
103.00628	1.1
105.03406	1.6
105.04515	0.6
105.07030	1.3
106.04185	6.8
107.04967	8.5
107.08598	5.9
109.02884	1.9
109.06528	2.4
109.10166	1.6
111.04462	0.7
111.08101	1.4
121.01655	3.1
121.02873	1.4
121.06490	1.7
121.08463	0.7
121.10150	5.9
122.03667	2.0
123.04438	28.4
123.08073	1.1
123.11690	1.2
124.05226	9.3
125.05979	1.1
125.07147	0.4
125.09619	1.2
131.08595	0.8
134.03648	1.8
135.04396	1.5
137.02284	0.6
137.05974	1.5
138.03119	0.5
139.02725	0.8
139.07542	2.2
139.11171	0.6
144.03221	2.0
149.02321	1.2
149.05983	0.8
149.07942	0.4
149.09616	2.5
149.13309	0.5
150.03043	0.4
151.03912	5.6
152.04700	5.2
159.06798	0.9
165.05476	0.4
167.03368	1.9
167.07048	100.0
167.10626	2.4
167.14296	1.5
168.07426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02368	0.7
53.03947	2.8
55.01863	2.3
55.05301	0.3
55.05515	4.3
56.96546	0.7
57.03426	1.1
57.25787	0.3
59.04994	0.4
61.02926	0.5
65.03933	1.2
67.05505	3.1
68.99781	0.7
69.03446	1.9
69.07052	1.6
70.06593	21.4
70.76947	1.0
70.77303	0.4
71.04999	0.5
71.49794	0.4
73.02926	2.0
77.03928	1.1
78.04714	6.8
79.05495	16.1
81.03400	1.0
81.06625	0.6
81.07059	7.0
83.04978	3.7
83.08604	1.4
84.96027	0.4
85.06532	0.6
90.52796	0.3
91.05482	10.6
93.03386	0.6
93.07047	15.0
94.04184	0.9
95.04977	4.8
95.08604	1.7
96.05752	0.4
97.02908	0.5
97.06553	2.0
98.82009	0.4
103.00638	1.3
103.05457	1.0
105.03412	0.5
105.04511	1.3
105.07037	3.1
106.04188	3.3
107.04971	4.1
107.08602	8.8
109.02864	1.5
109.06529	3.6
109.10079	0.9
111.04443	1.5
111.08077	1.3
119.04912	0.8
121.01678	3.6
121.02876	21.0
121.06509	9.9
121.08426	0.5
121.10139	4.8
122.03683	0.8
123.04434	13.9
123.08069	1.3
123.11708	0.9
124.05213	5.5
125.06005	0.7
125.09610	1.2
131.08574	2.5
134.03603	0.5
135.04416	1.1
135.05608	0.3
136.55087	0.4
137.05963	1.0
139.02655	0.6
139.07555	2.7
139.11217	0.6
144.03239	2.3
149.02359	0.9
149.05025	0.3
149.05992	7.7
149.09602	3.1
151.03891	3.0
152.04701	3.3
159.06796	1.4
159.38293	0.4
167.07042	100.0
167.10602	2.6
167.14197	0.8
168.07361	1.3
168.12508	0.4
168.13818	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02391	0.6
52.03194	0.5
53.03946	4.8
55.01875	2.3
55.05516	11.7
56.96577	3.0
57.03429	0.8
57.07074	1.5
57.86771	0.5
59.05006	2.7
65.03942	1.7
66.04735	1.5
67.05515	7.7
69.03434	3.5
69.07076	42.2
69.35213	3.6
69.35622	1.2
70.98145	0.5
71.04999	1.1
76.99726	0.5
77.03930	1.1
78.04720	16.1
79.05502	30.2
81.03413	0.9
81.07067	14.9
83.04995	4.7
83.08641	3.3
84.96049	4.6
85.02917	1.4
85.06563	0.5
91.05492	14.6
93.03430	0.9
93.07055	77.7
94.04194	1.8
94.07374	1.0
94.68309	0.5
95.04982	5.4
95.08616	12.2
96.05771	0.9
97.02906	0.6
97.06541	7.6
97.10179	1.3
100.11242	1.0
102.66766	0.5
102.97054	0.6
103.00632	2.4
103.05476	2.8
105.03379	1.2
105.04521	2.0
105.07043	21.5
105.07761	1.0
106.04172	5.2
106.07822	1.7
107.04971	8.3
107.08604	6.0
109.02898	2.0
109.06535	4.3
109.10192	2.4
109.10870	0.5
111.04453	1.6
111.08095	2.0
111.11729	7.4
119.08591	4.6
119.97335	1.1
120.02038	0.5
121.01678	9.9
121.02883	1.2
121.06590	2.7
121.10157	100.0
122.03683	2.1
122.10461	0.7
123.04443	24.9
123.08066	5.6
123.11710	1.0
124.05248	7.5
125.06013	1.3
125.09675	1.3
128.97864	1.9
129.48018	0.7
131.08565	1.0
133.07581	2.5
134.03635	1.1
135.04427	1.4
135.08157	0.5
137.06042	1.0
137.98436	0.6
139.02692	3.0
139.03764	0.6
139.07558	3.0
139.11168	3.2
140.20966	0.5
143.96715	0.6
144.03249	6.7
144.04300	0.7
146.35225	0.5
149.02353	2.8
149.05984	1.3
149.09637	15.3
149.13202	0.8
150.05479	0.9
151.03917	5.2
152.04709	5.3
152.06053	0.8
159.06830	1.1
162.04333	1.7
163.03937	0.9
167.03423	2.6
167.07057	86.5
167.10701	31.5
167.14340	0.9
168.04175	0.6
168.07494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03948	4.4
55.01876	2.7
55.05516	46.4
56.00296	1.2
56.96572	100.0
57.03440	9.0
57.07087	5.4
59.05009	1.6
61.78780	0.9
61.82035	1.0
65.03932	3.3
66.00554	1.0
66.04732	1.2
67.05511	49.5
69.03423	2.6
69.07074	87.1
70.06600	1.2
70.07409	1.2
71.05000	12.1
71.08637	1.9
71.60623	1.7
71.95264	2.9
75.01053	2.4
75.89439	1.0
78.04310	1.5
78.04716	13.3
79.05043	2.0
79.05499	35.9
81.03429	3.1
81.07063	66.4
82.01842	1.6
83.04987	6.6
83.08628	70.9
84.96044	9.6
85.02884	1.2
85.06554	12.9
91.05480	11.8
92.89013	1.2
93.07053	51.2
94.07332	1.3
95.04992	6.2
95.08615	27.7
97.02892	1.4
97.06538	22.5
97.10179	6.8
97.99199	2.3
99.08096	4.9
102.03390	1.8
103.00645	6.7
103.02406	1.3
103.04196	1.3
105.03408	1.5
105.04546	1.4
105.07050	6.5
106.04196	3.9
107.04986	8.0
107.06129	1.0
107.08604	44.2
108.05154	1.3
109.02862	2.8
109.06538	6.5
109.10166	9.0
110.03083	1.6
111.04456	2.1
111.08092	21.5
112.02824	1.4
112.05424	2.5
114.03350	1.0
115.04138	2.3
115.05946	1.4
116.06770	1.4
119.03622	1.4
119.08571	2.7
120.02029	1.3
121.01673	18.9
121.02624	1.3
121.02949	2.1
121.05898	17.4
121.10158	24.1
122.03637	2.2
123.04447	23.3
123.08073	3.8
123.11736	6.3
124.05297	9.0
125.05997	1.9
125.09644	4.2
126.02219	1.2
127.05953	11.4
128.97862	3.1
130.06471	28.8
131.08574	2.4
132.56726	4.3
133.10152	2.1
134.03618	1.5
136.06468	14.4
137.02707	1.2
138.56726	2.8
139.02713	7.3
139.06825	1.0
139.07535	4.7
140.03191	1.2
141.57239	4.5
143.96768	1.4
144.03236	14.5
144.04102	1.2
145.07045	5.7
146.99635	1.3
147.11757	1.3
147.57268	3.6
149.02330	5.3
149.05974	2.4
149.09607	5.1
149.13275	59.9
150.13571	1.5
151.03940	4.4
152.04668	5.3
159.06842	1.3
161.13332	1.5
162.04337	3.0
165.06897	1.3
167.03384	3.5
167.07060	86.4
167.08473	4.0
167.10690	7.5
167.14331	55.6
168.07404	1.2
168.10306	1.4
175.02841	2.3
185.04803	5.1
189.04332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
51.02365	0.4
53.03947	2.2
55.01880	2.0
55.05510	3.6
56.96555	1.8
57.03428	1.4
57.07067	1.1
57.64161	0.5
65.03945	9.9
67.05196	0.5
67.05511	4.6
68.99789	7.8
69.03421	2.4
69.07050	1.9
70.06593	8.6
70.70827	1.0
71.04987	2.4
71.06916	5.2
72.08164	0.7
77.01439	0.4
79.05493	2.8
80.02621	0.5
81.03419	13.9
81.07055	5.9
83.04980	3.7
83.08630	0.6
85.02892	1.3
85.06547	1.2
88.19047	0.5
91.05501	1.0
91.48641	0.4
93.03416	4.9
93.07022	2.4
95.04980	3.7
95.08601	3.5
96.08150	0.6
97.02883	2.1
97.06528	1.4
98.03664	5.0
99.04438	1.6
105.07034	1.7
107.04975	0.7
107.08594	1.8
108.02099	0.8
109.02884	28.9
109.06544	3.4
109.10161	3.8
110.03668	1.3
111.00806	27.6
111.04452	14.4
111.08075	2.0
113.06004	1.2
115.05464	0.6
121.10133	0.5
123.04431	1.5
123.08073	2.9
123.11711	2.7
124.01591	1.3
124.04674	1.8
125.05994	10.6
125.09642	0.6
126.03136	39.6
127.03972	3.0
127.07613	0.7
133.10135	0.8
134.05981	0.6
137.02356	1.6
140.04749	0.5
141.05467	100.0
142.05817	1.8
151.03912	3.1
151.05013	1.0
151.07544	1.2
151.11203	1.5
152.07091	1.1
154.02612	5.1
155.03354	1.3
169.04976	30.1
169.07390	6.8
169.08658	2.1
169.10092	0.9
169.12225	1.0
170.05667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03939	2.1
55.01880	5.1
55.05515	16.8
56.96568	4.7
57.03431	1.4
57.07065	2.4
59.04987	2.9
62.08322	0.7
65.03931	1.1
67.05163	1.4
67.05510	26.9
69.03429	1.1
69.07066	4.4
70.38975	3.2
71.01354	4.2
71.04999	7.6
73.84462	0.7
79.05493	13.4
80.23397	0.7
81.03413	3.4
81.07060	47.2
83.04976	2.9
83.08627	11.0
83.97602	0.7
85.06547	1.7
91.05486	13.3
93.07054	6.5
94.16378	0.9
95.04965	2.3
95.08618	5.9
97.06544	1.1
97.10141	0.8
99.04544	0.8
102.03375	1.5
105.07031	9.2
107.08598	8.2
109.02882	3.2
109.06522	1.8
109.10162	6.3
111.00817	2.5
111.03802	1.5
111.04464	2.0
111.08090	2.6
113.06036	1.3
115.04128	1.0
121.10202	0.9
123.04466	1.1
123.08020	1.2
123.11717	6.6
124.04649	1.9
125.06003	1.1
126.03151	4.0
129.06947	0.7
133.10130	3.2
141.05469	8.9
141.07039	4.0
146.04182	1.0
146.07608	1.4
154.07776	4.7
169.04948	3.1
169.07637	2.9
169.10161	8.2
169.12248	100.0
170.08192	1.2
170.09625	1.6
170.12561	2.7
179.58884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0766
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
55.01875	3.6
55.05505	0.5
56.96554	0.4
58.19007	0.4
68.99792	0.8
69.23986	0.5
71.05027	0.5
71.16228	0.5
71.32965	0.9
72.04519	1.1
72.08165	1.7
81.03424	0.7
88.07621	0.5
89.07156	1.0
93.03387	0.5
95.06099	7.9
96.06879	67.9
97.07076	0.6
97.07662	9.1
98.97643	0.5
100.07639	0.6
101.00899	1.4
107.66478	0.5
110.97585	1.1
111.04438	1.6
119.01932	2.5
121.01697	0.7
125.02415	0.6
125.07124	56.8
126.07497	0.6
127.03960	0.6
139.00282	8.8
139.03911	1.4
147.01381	0.6
153.06596	1.6
157.01283	3.0
171.02948	1.5
171.07658	100.0
172.08018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Boonein
Peak:m/z	Relative Intensity
50.14931	0.6
53.03947	1.1
55.01862	2.8
55.05514	5.5
55.05727	1.0
56.96590	0.7
57.03439	4.5
59.04988	0.7
65.03940	4.0
67.05505	69.0
68.05836	1.0
69.03408	2.1
69.07061	2.5
69.28307	0.6
70.74881	2.0
71.04974	1.5
72.04525	3.5
72.08134	2.2
73.02920	9.9
79.01915	0.7
79.05494	47.7
80.05812	1.0
81.03404	1.1
81.07059	43.4
83.04979	11.5
83.08595	2.1
86.09697	0.8
89.07138	2.6
91.05484	7.2
93.03395	5.0
93.07026	3.4
95.04973	0.9
97.06546	0.9
97.10149	1.6
98.97579	1.4
105.07020	4.6
107.04963	2.1
107.08595	100.0
108.08949	1.0
109.02919	1.0
109.06503	2.3
109.10155	18.8
109.10907	1.3
111.04443	43.9
111.08080	2.4
115.05442	2.1
117.07023	2.7
119.06047	0.9
125.09632	11.3
128.06233	1.3
129.07016	1.2
129.85864	0.8
135.08057	10.9
139.03893	5.7
141.06981	2.4
142.07813	1.5
143.08585	3.0
153.01804	1.5
153.09113	55.5
154.09496	1.6
155.08575	1.1
156.09361	12.2
171.05530	2.3
171.06813	1.0
171.10181	30.1
171.11708	7.2
171.14980	3.3
173.49979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.01853	2.4
55.05262	1.8
55.05515	30.9
56.96569	9.9
57.03426	1.7
57.07057	0.9
59.04992	1.0
65.03918	1.0
67.05509	5.9
69.03423	2.1
69.07076	5.5
70.01735	5.2
72.04141	1.8
72.04519	29.7
73.02904	2.0
75.78532	0.9
76.93704	0.9
79.05492	7.0
81.03418	1.4
81.07043	3.7
83.04973	3.0
83.08616	14.5
85.02902	2.2
89.07157	19.7
91.05482	11.0
93.07053	1.9
95.08645	1.4
97.02909	1.0
97.10163	9.5
98.20808	1.3
98.88138	1.2
98.97572	4.6
99.04455	0.9
105.02041	1.0
105.07037	3.1
107.08588	3.7
109.02890	1.3
109.06550	1.1
110.01276	2.6
111.04445	3.3
115.05459	4.8
116.98630	2.8
117.07024	7.3
119.01791	3.9
125.02360	1.5
125.09622	2.8
126.05495	1.1
126.09135	1.2
127.03902	1.4
127.96985	1.0
128.02309	2.3
128.06218	16.9
128.98613	1.3
129.07007	70.0
130.07729	3.9
131.08566	3.2
137.02832	1.4
139.03885	2.5
141.06990	4.5
142.07748	3.2
143.06120	1.4
143.08556	38.6
145.06332	1.0
146.99612	1.4
153.01920	1.3
155.06093	1.1
155.08554	1.8
156.09363	12.9
169.10176	2.3
171.02921	1.1
171.05516	4.0
171.11691	100.0
171.14890	12.5
172.07515	1.5
172.11996	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	173.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01872	2.0
55.05255	1.5
55.05512	26.6
56.96569	100.0
57.03429	2.8
57.07039	1.0
59.04996	2.8
61.05112	0.7
65.03967	1.3
67.05506	13.5
69.03426	2.7
69.07056	3.5
70.01821	0.7
70.02234	2.2
70.02622	1.8
70.06577	0.8
71.04986	3.4
71.95255	3.6
72.93791	10.6
72.96069	1.0
74.97626	1.0
75.01038	1.1
79.05498	20.4
80.05824	1.5
81.03412	2.1
81.07053	8.3
82.06582	0.8
83.04984	31.2
83.08636	1.6
83.51943	1.0
84.05287	1.0
84.96109	0.9
87.04462	1.4
88.01818	5.2
89.02422	0.9
90.90388	5.0
90.94830	8.1
91.05476	13.2
93.07047	12.3
94.01801	2.7
94.07380	1.0
95.02593	2.3
95.04997	4.2
95.08607	4.1
96.04482	0.9
96.05721	0.8
97.02313	2.3
97.02894	1.4
97.06533	2.5
97.99187	2.0
98.97594	1.5
99.02834	0.9
99.04443	2.1
101.02603	2.9
101.06026	15.3
103.02322	2.3
103.05505	1.2
104.03101	2.2
104.03793	1.0
105.00139	0.8
105.07036	10.0
107.02561	3.1
107.08618	3.9
108.03355	2.4
108.95863	1.5
109.06479	1.2
109.10139	1.3
110.03088	2.0
110.03811	1.7
110.97562	1.9
111.04454	22.0
112.02894	1.1
112.53378	1.7
113.04382	8.4
113.06017	2.4
113.96413	1.2
114.03310	0.9
115.04076	1.0
115.05455	2.1
116.00208	1.4
116.03121	0.9
116.06263	1.1
117.07014	6.7
118.06551	2.2
119.04398	7.2
119.08584	5.6
120.03374	2.4
120.04384	1.8
120.05205	1.7
121.10133	1.0
122.03101	1.1
122.04910	11.7
122.55087	1.7
123.01231	1.8
123.04623	3.1
126.05173	8.0
126.55335	1.2
127.04068	3.1
127.05937	3.7
127.07555	3.7
128.04919	6.1
128.06204	1.1
128.55006	1.4
129.03877	2.6
129.05513	7.3
129.06995	5.1
130.07787	2.2
131.00220	1.1
131.05434	2.2
131.08582	14.9
131.93027	1.3
132.05144	12.8
132.55345	2.4
133.10124	3.1
133.55676	1.2
134.04927	0.8
135.05696	6.1
136.04755	1.5
136.06503	4.0
137.55960	1.6
139.00668	1.4
139.05092	0.9
141.05678	64.6
141.55826	6.9
142.05879	1.4
143.00191	2.2
143.08574	8.0
143.55952	2.5
144.06299	1.0
144.09361	1.4
145.05441	1.0
145.06494	2.2
145.10133	11.7
146.06001	3.1
146.99683	1.3
147.11679	3.8
147.52521	0.9
148.06410	1.1
149.94055	6.1
149.96121	2.4
150.06210	53.1
150.56378	8.2
151.56883	1.3
152.56494	12.8
153.02287	2.4
153.06665	2.4
155.03548	1.7
155.06061	1.6
155.07047	11.6
155.08415	1.1
157.01724	1.8
158.07314	1.3
158.10938	9.2
159.06729	16.4
159.56819	1.8
161.01241	3.2
161.09692	1.1
161.13263	1.7
161.56982	7.7
162.07205	1.2
164.07341	1.0
164.55882	1.2
167.97198	3.2
169.01753	1.2
170.57524	1.6
171.03276	5.2
171.11708	3.0
173.02347	1.1
173.05902	1.4
173.08150	18.2
173.09674	5.9
173.13280	27.4
173.14832	1.3
174.05537	1.1
174.12770	1.6
175.02805	3.5
185.04868	3.3
187.02739	1.1
189.04346	3.3
189.12892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.29792	0.8
53.03950	1.0
54.31583	0.8
55.01885	1.2
55.05258	1.3
55.05514	22.6
56.96563	4.2
57.03431	5.1
57.07069	2.9
57.85497	0.8
58.07400	1.4
59.05000	2.4
67.05504	5.1
69.07059	1.3
70.28311	1.9
70.28700	1.8
71.04975	1.3
71.08631	7.7
72.93798	9.2
73.02904	1.0
74.06076	2.8
75.06412	0.8
76.02218	1.5
77.51029	0.7
79.05477	2.4
81.07050	3.5
83.04984	20.3
85.06544	1.3
86.05997	0.9
87.04432	2.1
88.07655	4.4
89.02383	1.9
89.07964	3.2
90.90388	8.0
90.94830	10.0
91.05484	12.3
93.07040	2.6
95.04970	1.3
95.08576	1.1
96.04491	1.2
97.06535	1.1
99.08085	2.9
100.02465	1.4
101.06025	17.4
102.09193	2.9
103.09508	1.3
105.07038	13.0
108.95864	2.6
109.10161	1.2
110.53477	0.8
111.04445	25.3
113.05985	2.0
113.96390	2.2
115.05456	5.0
116.06254	2.6
116.36472	0.9
116.98586	1.3
117.07047	9.7
117.09160	0.9
118.06529	1.7
119.08572	12.9
124.49750	0.7
127.07521	1.6
128.04909	0.9
128.06187	2.4
128.07069	1.5
129.05496	7.7
129.06996	10.9
130.07777	3.3
131.00192	1.2
131.08575	79.9
131.92950	1.9
131.97458	1.0
132.07993	0.9
132.08969	1.2
133.10133	3.0
134.99644	0.8
142.07762	1.0
143.04852	1.2
143.08563	22.6
144.09363	7.2
145.06535	2.0
145.10129	26.1
146.06001	3.4
147.42984	0.9
149.94031	6.4
149.96091	3.0
150.03680	0.9
150.31786	0.9
155.03403	1.6
155.05980	1.3
155.07062	15.7
155.08388	1.4
156.09338	1.4
157.10146	2.6
158.07304	2.2
158.10924	38.1
167.97192	3.5
171.11723	3.0
173.04697	1.3
173.05894	1.6
173.08134	21.7
173.09648	11.7
173.13264	100.0
173.17320	24.8
174.13791	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03947	1.0
55.05516	6.0
57.07083	1.7
59.04998	1.1
60.10542	0.4
67.05501	3.7
69.07092	0.5
71.04996	0.5
71.59804	0.4
71.60225	0.7
79.05499	3.8
81.07057	3.2
83.04988	5.3
83.65346	0.5
86.69592	0.4
87.04474	0.5
89.02385	0.6
91.05482	17.4
93.07059	3.2
95.04972	0.5
95.08604	1.2
97.02893	0.4
98.98458	0.7
99.04460	0.5
101.06023	4.2
103.05469	0.6
105.07031	11.5
107.08621	0.8
111.04442	5.9
113.06026	0.8
115.05460	1.6
116.06229	1.7
117.07023	15.5
118.06541	0.9
119.08580	4.1
127.07592	0.6
128.06198	0.6
128.07127	0.4
129.05537	2.1
129.07004	7.0
130.06877	0.5
130.07788	3.6
131.08571	100.0
132.08943	1.7
133.10086	0.4
143.08554	3.8
144.09315	2.2
145.06465	0.7
145.10120	18.9
146.06015	0.7
155.03293	0.5
155.07076	3.3
158.07292	1.0
158.10927	5.0
171.11700	1.5
173.08308	5.9
173.09880	2.2
173.13261	72.1
174.05537	0.7
174.13577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.20036	1.3
53.03942	1.5
55.01873	1.9
55.05510	7.0
56.96571	60.4
57.03443	57.5
57.07062	3.5
61.02903	1.8
65.03935	2.6
67.05509	8.8
69.03413	3.3
69.07080	7.2
70.06596	2.3
70.52940	2.4
70.53281	1.3
71.31209	1.0
74.93182	1.5
74.97607	1.2
79.05499	8.6
81.01036	2.6
81.07067	12.0
83.04974	3.3
83.08624	2.4
84.96025	1.7
88.01792	2.0
90.01553	2.6
91.04955	1.8
91.05486	27.8
92.90045	1.9
93.07047	6.8
94.01775	1.3
95.04955	1.6
95.08631	5.7
97.02322	2.0
97.02876	3.1
97.10154	4.0
98.98472	100.0
101.52317	2.5
103.02325	3.0
105.07040	24.4
107.02535	1.3
107.04906	1.9
107.08595	5.7
109.02376	1.2
109.06553	1.3
109.10146	2.0
113.02550	1.2
113.04428	1.6
115.04053	2.8
115.05405	2.2
116.00228	1.2
116.03090	1.3
116.99468	1.4
117.07014	6.2
119.04938	5.0
119.08589	59.6
121.10178	1.8
122.04916	1.4
125.04363	1.4
127.03951	3.3
128.06212	1.3
129.05670	3.6
129.07011	6.4
130.06561	1.5
131.08563	5.2
133.06488	4.1
133.08453	1.1
133.09222	2.0
133.10139	26.7
134.04910	5.4
135.05698	1.1
138.06206	4.8
139.00627	1.3
139.04012	1.3
139.05811	1.3
142.07765	5.1
143.00148	4.1
143.05453	9.8
143.55650	1.2
145.10117	3.0
145.55728	2.4
147.04422	3.2
147.08078	6.6
147.11700	11.2
151.93918	2.5
152.05946	10.1
152.56186	1.6
154.06451	3.4
154.56244	1.6
157.04318	2.7
157.10130	8.7
160.05156	1.6
160.08827	3.1
161.01218	4.2
161.06493	2.4
163.07008	2.1
163.56770	2.7
165.12697	1.2
171.03307	1.7
175.02696	2.4
175.04016	2.3
175.06232	1.5
175.07440	6.1
175.11188	42.8
175.12791	2.2
175.14810	24.1
175.40501	1.1
176.07076	1.6
179.03775	2.3
185.05151	1.2
187.02710	1.4
189.04384	1.5
193.03825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03953	1.4
55.01867	1.8
55.05513	5.9
55.14795	0.6
56.96566	2.8
57.03437	22.6
61.02912	0.6
62.38098	0.6
65.03946	2.8
67.05505	13.3
69.03429	2.6
69.07066	9.5
70.06596	0.9
70.63870	2.4
79.05501	7.9
81.03394	1.0
81.07049	7.0
83.04955	1.0
83.08621	2.7
87.04492	0.7
89.03922	1.0
91.05482	35.3
92.90044	0.9
93.06539	0.8
93.07043	4.1
95.04975	13.1
95.08608	4.8
96.28217	0.7
97.02892	1.1
98.98470	32.5
103.05475	2.2
104.06274	1.1
105.07034	39.3
107.04951	9.1
107.08578	4.3
109.06520	0.8
115.03970	0.9
115.05470	3.4
116.06232	1.2
116.99459	0.9
117.07019	9.3
118.07785	1.0
119.04958	7.1
119.08584	89.7
120.08926	1.0
121.06500	5.9
121.10139	1.0
127.03873	1.5
128.06219	3.0
129.07007	9.9
131.04948	4.5
131.08562	5.8
132.05740	3.1
133.06499	29.1
133.10135	43.2
135.08063	1.4
136.58022	0.9
139.03928	0.9
142.07771	10.9
145.06491	8.5
145.10149	4.8
146.06325	0.6
146.07269	33.5
147.04408	4.9
147.08054	71.4
147.11682	19.5
148.08411	1.0
151.93814	1.1
152.31601	0.7
155.06038	0.8
157.07594	2.8
157.10123	9.3
159.08025	1.0
160.05246	1.0
160.08849	8.7
160.12440	1.9
173.13251	0.9
175.03928	2.6
175.07608	7.6
175.11188	100.0
175.14809	42.3
176.11530	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01872	5.5
55.05520	5.3
56.05029	0.9
56.96570	8.7
57.03439	13.2
58.06599	0.7
58.99867	2.4
59.04999	0.8
60.04538	0.8
60.05651	30.7
61.01183	0.6
61.02932	3.0
65.03946	0.7
67.04252	0.6
67.05514	1.0
68.05031	0.7
68.98299	1.4
69.03436	10.4
69.07058	0.8
70.02946	0.6
70.06594	89.3
70.52541	0.5
70.88269	1.4
70.88623	0.6
70.98122	1.4
70.99873	1.0
71.01352	1.9
71.04990	3.4
71.05310	0.5
71.95264	1.8
72.08158	45.4
73.02914	8.4
73.06571	0.7
73.28558	0.6
74.03268	0.7
76.53220	0.5
77.00945	0.7
79.02168	0.7
79.05520	0.6
80.26511	0.5
81.03422	4.2
82.99836	4.3
83.01337	0.7
83.05002	1.1
83.62446	0.5
84.04538	1.7
84.08149	6.1
84.96053	0.7
85.01409	12.4
85.02901	11.4
85.06544	1.0
86.06100	1.3
86.09724	2.8
87.04491	1.9
88.02686	1.1
88.07610	0.9
89.00909	1.0
90.27169	0.6
91.05503	1.5
93.01892	1.2
94.02702	0.9
94.06609	0.7
94.16384	0.7
95.04958	0.7
96.02409	0.9
97.01442	1.1
97.02898	14.4
97.07641	0.9
98.03217	1.0
98.06055	1.3
98.97585	12.2
98.98469	2.4
99.04436	1.8
100.02608	1.2
101.00884	43.2
102.00972	2.6
102.02425	1.5
102.52563	0.9
103.00661	3.6
103.02451	26.5
103.03123	0.9
103.05450	0.9
104.02563	0.8
104.07117	5.8
108.02419	1.1
109.02912	2.1
110.97583	1.3
111.02955	1.9
111.04425	0.9
112.08720	3.6
113.00877	4.7
113.03468	2.9
114.00951	1.1
114.04011	0.7
114.09202	1.4
114.10284	0.8
115.00675	1.6
115.02446	12.5
115.04090	1.9
115.08700	1.2
116.04998	0.9
116.07091	25.8
116.07908	1.3
116.97216	1.2
116.98634	6.2
117.02152	1.2
117.02936	1.1
117.03992	1.5
117.05580	0.9
118.08672	2.4
119.01923	100.0
120.01960	4.0
120.54455	0.7
121.01682	7.2
121.03503	7.1
121.54564	1.2
122.55472	1.0
123.02987	0.8
124.04025	0.8
124.95498	0.9
127.02417	3.6
127.03942	1.5
128.02428	0.9
128.04959	1.5
128.98621	0.8
129.02983	1.0
129.03955	2.3
129.10297	0.7
130.03731	1.5
130.04732	1.7
130.06551	3.5
130.08641	2.0
130.09772	10.4
131.01903	10.0
131.07326	2.7
131.55252	1.4
132.01973	1.4
132.04375	0.7
132.10194	1.0
133.01720	3.2
133.03471	62.6
133.05151	3.1
133.54512	1.1
134.03618	2.4
134.04884	1.0
134.05966	0.7
134.99663	2.0
135.01416	0.6
135.03215	2.7
135.04126	0.8
135.05760	1.0
136.04726	2.0
136.06560	1.7
136.55121	1.0
137.02956	19.3
137.04573	1.4
137.05583	0.8
138.03250	0.9
139.00691	0.6
139.02458	1.7
140.04997	1.0
140.06076	0.7
141.55322	0.7
142.01111	0.9
142.03500	1.6
142.04617	0.9
142.55101	2.1
142.96503	1.5
143.01906	7.3
143.05469	2.2
143.55388	0.6
144.02054	1.0
144.04480	1.2
144.05476	0.8
144.54933	1.3
144.56012	5.1
145.01695	1.5
145.03461	21.0
145.05168	1.1
145.06145	1.1
146.03621	1.2
146.06004	4.6
147.03134	1.1
147.05026	1.4
147.06813	1.2
148.03860	1.0
149.02950	1.4
149.05513	1.8
149.55861	1.3
150.06245	4.5
150.55974	0.6
151.02719	1.2
151.04507	13.8
151.06261	1.5
151.56819	2.6
152.05994	1.0
153.01483	1.3
153.05006	1.1
153.06804	4.3
155.01907	4.0
156.04996	0.8
157.01582	0.8
157.03456	10.4
157.05312	1.0
157.10678	0.8
158.03690	0.7
158.06032	3.2
158.08087	1.1
158.09253	5.6
158.11827	1.0
159.03200	1.0
159.06804	41.4
160.97601	0.9
161.02965	9.1
162.03036	1.0
163.02774	2.0
163.04520	5.0
166.57361	2.0
167.02002	1.0
167.06499	4.6
169.01636	0.8
169.03476	1.9
171.01340	2.8
171.02550	5.9
171.04990	0.9
172.02579	0.8
173.03067	3.4
174.04388	0.9
174.07832	0.9
175.02968	2.7
175.04521	78.7
175.08661	2.0
175.11917	18.5
175.14392	1.4
175.55420	1.1
176.04678	4.1
176.07071	0.8
176.16385	0.9
179.04008	4.5
185.02975	1.7
186.03186	1.3
187.02882	0.7
187.04527	3.4
187.06044	0.7
188.04764	0.7
189.03593	12.7
190.03687	1.2
193.00249	1.2
193.03786	0.6
193.05568	2.5
193.07309	0.9
194.04094	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.37127	0.7
53.03938	2.0
55.05516	9.0
57.07080	1.2
60.15730	0.7
65.03941	6.4
67.05500	2.7
69.06721	1.2
69.07072	17.4
70.70641	1.2
70.70977	1.9
73.29796	0.9
76.03145	0.9
77.03920	2.0
79.05513	4.3
81.07065	11.2
83.08620	3.3
89.03911	4.4
91.05491	59.6
92.05820	1.5
93.07049	5.4
95.08615	8.7
98.98483	6.2
105.07037	32.6
107.08591	6.5
115.05396	1.3
117.07013	4.1
118.07825	0.9
119.04953	28.7
119.08592	82.8
120.08883	1.6
121.10144	2.6
129.03363	1.2
129.06981	0.9
130.06497	0.9
131.08597	7.0
132.02065	1.6
133.10141	96.4
134.10397	1.9
137.56075	0.8
145.02826	1.3
145.10133	5.4
146.10912	3.0
147.04431	13.9
147.11700	13.2
150.03099	1.2
157.03981	2.2
157.10175	1.0
160.05156	1.6
160.12463	3.8
173.13290	2.3
175.03900	7.1
175.07552	1.6
175.11256	3.4
175.14841	100.0
176.15158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.62084	0.8
55.05516	12.4
56.96575	1.0
57.07068	1.2
61.35183	0.9
65.03925	1.8
67.05509	5.1
68.39751	0.7
69.06712	1.1
69.07071	15.6
71.39871	1.2
71.40216	1.2
77.03925	0.9
79.05505	5.3
81.07063	21.7
81.29417	0.7
83.08630	3.8
88.85184	0.8
91.05486	35.3
93.07049	8.2
95.08611	15.2
97.02901	0.8
98.97588	4.3
98.98463	8.0
103.05402	1.0
105.07036	61.7
106.07359	0.8
107.08594	10.4
109.10152	1.5
115.05441	2.0
117.07018	5.2
118.07857	0.9
119.04976	3.9
119.08588	97.7
120.08848	1.2
121.10136	2.8
130.33238	0.8
131.08589	12.2
132.95839	2.3
133.10138	66.4
134.10455	2.0
145.10127	5.2
146.10966	3.7
147.04416	2.3
147.08011	1.2
147.11696	20.7
157.10089	1.2
160.12517	2.8
173.13274	1.7
175.03995	1.3
175.07565	3.2
175.14838	100.0
176.15115	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
52.59095	0.6
53.03945	1.0
55.05516	9.5
57.07076	0.7
62.95746	0.5
65.03938	3.3
67.05511	2.4
69.03458	0.6
69.07074	20.1
71.03773	1.2
77.03935	0.8
79.05498	4.0
81.07065	8.5
83.08627	3.6
87.98921	0.5
89.03920	2.1
90.37366	0.6
91.05484	32.2
93.07057	4.1
95.08615	7.2
98.98484	6.2
100.27575	0.5
103.05479	1.5
105.07034	26.8
107.08604	6.0
115.05450	1.6
116.51492	0.5
117.07004	4.3
119.04958	11.5
119.08585	86.3
120.08924	1.5
121.10132	3.1
123.99648	0.6
129.03424	0.6
129.06984	1.3
130.06535	0.7
131.08577	6.0
132.02075	0.7
132.09427	0.9
133.10133	78.4
134.10666	0.5
135.11699	0.7
145.10114	7.8
146.10910	1.6
147.04404	5.5
147.08029	1.1
147.11682	14.0
150.03152	0.8
157.03955	1.0
160.05142	0.8
160.12491	4.8
162.06383	0.6
173.13268	2.2
175.03923	3.7
175.07466	2.7
175.11292	2.4
175.14828	100.0
176.15167	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.98628	0.5
56.03700	0.5
58.06448	0.5
61.53101	0.5
63.02375	1.5
63.66970	0.5
70.93676	1.1
70.94022	0.6
77.24982	0.5
78.04713	3.1
79.05498	0.7
89.03919	47.5
90.04242	0.7
91.05492	4.4
93.07030	1.4
95.04974	0.6
98.98473	1.2
103.05466	1.8
105.03415	0.7
106.04186	4.0
117.03381	80.8
118.03735	1.6
121.06513	1.4
121.98232	0.5
129.04463	0.6
134.03633	9.6
135.04407	3.5
145.02852	100.0
146.03227	2.0
149.05991	23.9
150.06334	0.6
162.03110	1.2
163.03914	2.2
177.05481	22.9
177.12839	0.6
186.05548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
61.04945	0.4
62.01594	0.6
63.02388	1.6
65.78983	0.4
66.37314	0.4
69.33816	4.2
74.63792	0.4
77.03930	0.5
78.04726	2.4
89.03917	43.2
89.33808	0.4
90.04261	0.8
91.05482	3.0
93.07056	0.8
95.04958	0.8
103.05472	1.7
106.04166	3.8
117.03378	79.5
118.03729	1.2
121.06537	0.8
130.06441	0.6
134.03629	8.2
135.04427	3.4
145.02843	100.0
146.03198	2.0
149.05980	23.2
162.03146	0.9
163.03886	1.7
177.05469	24.4
177.12543	0.5
178.05803	0.7
186.05551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03971	1.0
54.51838	0.6
55.01868	0.7
55.05503	0.9
62.35669	0.6
63.02345	1.2
64.41029	0.6
71.03064	0.9
71.03410	1.1
71.29391	0.6
78.04716	4.1
79.05481	0.7
86.03025	0.7
89.03922	46.8
90.04259	0.9
91.05486	6.6
93.07021	1.8
95.04960	0.9
98.97615	1.0
98.98449	0.9
103.05458	2.4
105.03426	1.0
105.04498	0.7
106.04172	7.9
107.04989	0.6
107.08595	0.8
107.20840	0.6
117.03383	80.1
118.03703	1.1
119.04989	0.8
119.08648	0.6
121.06518	5.0
121.10114	0.8
124.05233	0.6
127.51664	0.6
131.04945	1.2
131.08597	1.0
134.03625	10.0
134.26199	0.7
135.04414	4.4
135.08035	0.9
135.11710	0.7
145.02850	100.0
146.03195	1.8
147.04407	1.2
149.05986	27.6
158.05978	0.8
159.04286	0.8
162.03128	2.6
163.03908	2.6
177.05473	28.6
187.65610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02386	1.0
53.03935	3.9
55.01867	3.9
55.05512	10.3
56.96309	0.8
56.96553	5.7
57.03443	4.7
57.07064	2.5
59.05013	1.2
63.02370	2.3
63.03768	1.0
65.03934	2.5
67.05215	0.9
67.05508	11.1
69.03422	4.8
69.06720	1.2
69.07076	19.3
71.04981	3.1
71.21172	1.9
73.19609	0.9
77.03908	1.1
78.04709	5.8
79.05049	2.0
79.05495	32.8
81.07056	24.4
83.04972	2.8
83.08637	5.2
89.03919	49.4
90.04256	1.2
91.05483	39.9
93.07051	58.8
94.07367	1.4
95.04970	8.0
95.08611	15.4
97.06529	2.8
98.98473	18.3
103.05467	7.3
105.04477	1.9
105.06361	1.9
105.07028	23.0
106.04173	16.0
107.04978	8.6
107.08599	40.2
109.06544	7.6
109.10167	4.5
113.00890	1.1
115.05441	3.5
116.06241	1.0
117.03384	79.8
117.07027	16.9
118.03733	1.0
119.04938	2.4
119.06094	1.3
119.08582	11.8
121.02932	1.8
121.06509	20.1
121.09293	1.9
121.10144	28.2
123.08058	2.2
124.05200	1.9
129.07005	4.8
130.07822	1.9
131.01917	3.4
131.04926	3.9
131.08572	23.5
133.06474	1.7
133.10146	8.8
134.03645	13.0
135.04428	8.6
135.08060	9.6
135.11707	9.0
144.09335	5.0
145.02853	100.0
145.06477	2.1
146.03259	3.0
147.04384	1.2
149.02306	5.0
149.05988	35.2
149.09613	5.4
149.13287	7.7
158.06082	1.9
159.04439	2.1
159.08055	3.2
159.11697	22.1
162.03128	4.9
163.03876	3.9
177.05472	38.1
177.09053	9.5
177.12746	36.8
177.16394	9.9
178.04938	1.5
178.08649	1.4
186.05534	4.1
190.95282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02360	0.8
53.03950	4.4
55.01874	4.5
55.05518	4.9
56.96564	6.6
57.03425	3.0
57.07076	1.0
58.21123	0.8
59.36914	0.8
63.02363	1.3
65.03930	3.3
67.05161	1.4
67.05508	23.3
68.00519	0.8
69.03436	1.3
69.07073	7.7
69.97805	3.2
71.05000	0.8
78.04701	3.1
79.05497	33.4
81.03425	4.6
81.07061	38.1
83.04990	3.9
83.08623	5.2
85.06528	1.4
88.38197	0.7
89.03920	27.0
90.04248	1.0
91.05482	38.0
93.03394	1.0
93.07048	53.0
95.04978	9.8
95.08611	13.9
97.06539	11.9
98.98475	16.5
99.08078	2.0
100.98888	0.8
103.05456	4.9
105.04534	1.9
105.07040	19.8
105.36869	0.8
106.04180	6.6
107.04971	4.2
107.08601	25.1
109.06518	6.0
109.10178	1.4
111.08077	3.4
114.03420	0.9
115.05485	1.6
116.06222	1.2
117.03384	39.8
117.07024	25.5
118.03687	0.8
119.08584	7.6
121.02879	1.7
121.06517	10.2
121.09289	1.4
121.10146	18.4
123.08042	0.8
129.07008	2.5
130.07675	0.8
131.01872	3.9
131.04904	2.7
131.08574	31.1
132.04424	1.1
133.06532	1.0
133.10141	28.7
134.03635	6.8
135.04449	4.5
135.08063	9.8
135.11697	10.6
144.09338	1.8
145.02853	45.5
149.02359	3.6
149.05988	19.1
149.06973	0.5
149.09618	5.3
149.12155	1.4
149.13268	19.2
153.93730	1.1
157.10080	1.3
159.08034	3.1
159.11700	47.4
160.12044	1.1
162.03094	2.4
163.03906	1.9
177.05450	20.6
177.06541	1.3
177.09241	6.3
177.12755	100.0
177.16321	3.6
177.35097	0.9
178.04988	1.5
178.13072	1.7
186.05551	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.98830	1.0
53.03936	3.5
54.98546	1.1
55.01865	1.9
55.05515	12.7
57.07065	2.2
65.03944	3.6
67.05511	45.4
68.69012	1.2
69.03432	1.1
69.07076	13.6
71.59622	2.4
76.34724	1.1
79.05498	64.4
81.07062	40.1
83.08611	9.0
88.02217	1.6
89.03920	14.7
91.05485	25.0
92.94968	1.3
93.07053	82.5
95.04993	7.2
95.08614	54.0
97.06525	1.5
97.10159	2.2
98.98479	23.4
103.05461	3.4
105.04533	2.1
105.07033	11.7
106.04188	1.7
107.04948	3.2
107.08603	46.7
109.06526	3.0
109.10151	17.0
117.03378	20.3
117.07029	7.9
119.08585	4.7
121.06528	4.5
121.10155	100.0
131.01907	1.9
131.08582	10.4
133.10168	7.9
134.03644	3.6
135.04439	2.7
135.08040	4.2
135.11700	37.5
144.09361	1.4
145.02849	25.8
149.02344	5.1
149.06001	10.0
149.07014	1.9
149.09618	2.4
149.13306	6.3
154.03607	1.5
159.04454	1.5
159.08157	1.6
159.11714	16.5
162.03085	1.2
163.03937	1.8
177.05432	11.7
177.06625	1.5
177.09106	3.9
177.12778	30.7
177.16403	50.4
178.04977	1.3
178.08667	1.3
178.13179	1.5
178.16841	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03952	4.6
55.01863	1.9
55.05294	1.1
55.05515	12.7
56.96575	1.1
57.07067	2.1
57.78431	0.8
65.03944	1.5
65.92188	1.0
66.08159	0.9
67.05509	46.5
69.03419	1.2
69.07070	9.5
70.97273	1.4
70.97613	1.3
77.03922	1.0
77.61065	0.7
79.05496	68.3
81.03421	1.2
81.07062	40.7
83.04969	1.1
83.08628	7.8
89.03915	8.6
91.05481	22.8
93.07050	78.2
95.04974	6.8
95.08609	47.7
95.09230	1.8
97.06532	2.1
97.10169	2.4
98.98474	12.1
99.08113	1.0
103.05495	1.2
105.04530	1.7
105.07035	8.5
106.07426	0.8
107.04963	4.8
107.08598	47.3
109.06509	2.4
109.10156	18.1
111.08093	1.0
117.03383	12.3
117.07030	6.5
119.08582	3.4
121.06509	1.6
121.10147	100.0
131.01889	1.4
131.04918	1.4
131.08591	7.7
133.10143	7.9
134.03632	2.1
135.04456	1.2
135.08022	2.5
135.11694	39.1
145.02866	15.8
149.02338	2.3
149.05995	6.6
149.09618	2.0
149.13263	7.0
159.08032	1.0
159.11711	11.7
162.03210	1.2
175.00160	1.0
176.62859	0.9
177.05400	7.6
177.09129	3.7
177.12781	24.8
177.16397	49.8
178.05006	1.5
178.08620	1.3
178.13300	0.8
186.05437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Valerianine
Peak:m/z	Relative Intensity
55.01871	0.3
55.60029	0.3
56.96563	0.4
67.05514	0.4
71.21843	0.6
79.05526	0.4
80.05027	0.4
85.33205	0.3
89.03936	0.8
89.49667	0.3
90.04261	1.0
90.83126	0.3
91.05489	0.9
92.05038	0.7
93.05824	0.4
93.07027	0.4
94.42334	0.3
98.20697	0.3
104.05012	0.5
105.07005	0.6
107.08604	0.6
117.03362	0.8
117.07034	1.3
118.03706	2.3
118.06558	8.9
118.96785	0.4
119.07336	9.5
132.04488	0.8
132.08084	0.8
134.09663	59.3
135.03992	0.5
135.10007	0.8
136.93181	0.4
145.02805	0.4
146.03197	3.2
147.04408	0.6
150.06386	0.5
160.11226	1.1
162.09154	2.1
163.09935	1.0
172.95346	0.7
178.05040	1.4
178.12280	100.0
179.03474	0.8
179.12604	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	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.96577	0.7
57.07069	1.3
58.99855	0.8
69.75960	3.3
82.01431	1.6
82.99843	2.9
83.16881	0.6
91.05502	0.9
96.46123	0.6
98.21406	1.0
98.97610	0.7
100.02475	3.6
101.00887	40.8
102.00972	0.9
109.85975	0.6
115.02443	2.4
118.03518	1.0
119.01927	100.0
120.01999	3.4
133.01675	3.4
133.03470	9.1
137.02957	17.6
138.03963	1.1
142.03484	1.8
143.01881	1.2
147.04427	0.8
151.04568	1.4
155.01889	1.0
156.02084	0.8
156.03220	0.9
156.05057	5.5
157.03494	1.5
161.02954	23.0
174.03137	2.5
174.06165	1.8
175.04536	1.0
179.04025	25.2
179.06543	1.1
179.10623	0.8
180.04112	0.9
184.04648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01872	6.3
55.05512	8.5
56.96565	1.3
57.03438	8.1
57.07060	1.2
57.51013	0.8
60.45511	0.8
65.03937	3.0
67.05508	37.2
68.47058	0.9
69.03421	2.5
69.07070	10.4
69.66584	1.7
69.67009	4.2
71.04987	3.7
72.40450	0.7
74.53933	0.9
77.03909	2.0
79.05048	1.7
79.05496	29.3
81.07060	100.0
83.04987	6.5
83.08617	4.4
85.06549	10.2
91.05486	41.6
91.06071	1.8
93.06461	2.1
93.07048	38.9
95.04991	5.9
95.08611	79.2
97.06537	20.8
99.08094	10.1
103.05466	1.8
105.03387	1.5
105.07033	39.8
107.07521	0.9
107.08601	18.8
108.04395	0.7
109.06544	6.6
109.10158	7.9
111.08101	5.6
117.07040	2.2
119.04954	11.1
119.08586	56.4
121.10143	16.0
123.04416	1.4
123.08073	10.9
123.11767	1.1
131.08565	1.5
133.02881	1.8
133.06488	2.0
133.10133	35.0
135.11700	32.7
136.05231	1.1
137.05980	1.4
137.09639	4.1
137.13275	1.9
139.91438	0.9
147.04413	11.0
151.07584	1.1
151.11201	2.0
159.11661	1.6
161.06000	3.1
161.13269	85.7
162.09149	1.9
162.13654	2.0
164.04675	0.9
178.97131	1.5
179.03400	3.4
179.07114	8.4
179.10751	2.8
179.14319	88.5
180.14685	1.6
189.79630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	2.5
54.68018	0.8
55.01869	2.6
55.05508	7.7
57.03225	0.9
57.03443	10.1
57.07066	1.1
58.64703	1.0
64.27806	0.8
65.03954	1.1
67.05508	36.9
69.03419	2.6
69.06764	0.9
69.07081	10.4
69.26598	0.8
69.93233	0.7
70.85748	2.5
71.05002	3.9
77.03928	1.2
79.05497	25.5
81.07063	100.0
82.07356	1.0
83.04987	7.5
83.08630	3.9
85.06126	1.0
85.06557	12.1
91.05486	31.1
93.07052	44.2
94.07362	1.3
95.04967	2.7
95.08614	74.7
96.08942	1.5
96.72768	0.8
97.06542	16.5
99.08109	8.4
105.07039	36.3
107.08604	18.4
109.06543	6.1
109.10161	5.3
111.08089	5.1
117.07010	2.2
119.08590	59.0
120.08956	0.9
121.10152	15.8
123.08085	9.6
123.11678	1.1
131.08514	1.2
133.10139	33.2
135.11703	34.4
137.09637	4.6
137.13197	1.7
151.11139	1.9
161.13268	92.9
162.13576	2.0
179.14320	97.1
180.14642	2.1
188.90317	0.8
191.41457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	2.5
53.79010	0.9
55.01870	6.7
55.05513	9.2
56.96559	2.5
57.03434	5.1
57.07067	1.7
59.04972	1.4
65.03922	2.4
67.05506	41.5
69.03414	2.9
69.07071	10.3
69.68293	0.9
69.85745	2.3
69.86156	3.9
70.06286	0.8
71.04995	7.2
74.20371	1.0
76.48457	1.0
79.05054	1.8
79.05496	31.6
81.03381	0.9
81.07056	100.0
83.04981	5.7
83.08641	5.4
85.06535	5.5
91.05482	33.1
93.07041	27.9
95.04981	6.2
95.08607	67.5
96.08918	1.4
97.06536	15.6
97.10131	1.0
98.21487	1.1
99.08089	6.7
105.04527	0.9
105.07034	27.9
107.08588	12.8
109.06525	5.8
109.10166	6.0
111.08074	6.3
117.07008	2.4
119.04936	11.7
119.08582	36.8
121.10155	9.3
123.04449	1.6
123.08086	9.5
131.08571	1.2
133.06468	3.6
133.10132	21.8
135.11705	17.9
136.05199	1.7
137.05927	1.8
137.09596	4.9
137.13211	2.0
147.03386	1.4
147.04422	12.1
151.07487	1.5
154.14706	1.0
161.05984	3.7
161.09653	1.4
161.13255	54.4
162.09120	0.9
179.03464	5.0
179.07104	8.2
179.08414	1.8
179.10730	3.7
179.14310	70.7
180.14685	1.4
197.62413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.40564	1.2
53.03945	3.8
53.92404	1.1
55.01869	6.2
55.05510	7.9
56.96553	2.1
57.03442	8.6
65.03937	2.6
67.05509	45.1
69.03416	4.1
69.07071	9.3
69.67172	2.0
69.67580	4.6
71.05002	6.3
71.98174	1.1
79.05049	1.8
79.05494	30.5
81.07059	99.5
83.04998	6.5
83.08608	3.0
85.06548	8.8
89.53051	1.0
91.05482	37.3
93.07051	44.3
95.04967	5.5
95.08614	84.2
96.08913	1.6
97.06537	19.9
99.08093	9.1
101.31172	1.1
105.07034	39.4
107.07942	1.7
107.08600	18.5
109.06519	6.7
109.10167	7.7
111.08071	6.5
113.09597	1.4
115.05457	1.1
117.07013	2.5
119.04962	9.0
119.08589	59.2
121.06489	1.3
121.10154	18.0
123.04430	1.1
123.08087	8.9
123.11700	2.0
132.62894	1.2
133.02873	1.9
133.06516	2.6
133.10136	36.3
135.11710	32.8
137.06003	1.7
137.09599	4.0
137.13239	2.4
146.03606	1.3
147.04402	12.5
149.02255	1.2
151.07533	2.1
151.11203	1.3
161.05983	3.4
161.13264	100.0
162.13585	1.5
163.13127	1.0
179.03403	3.7
179.07007	6.7
179.08450	1.9
179.14314	95.3
180.14688	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	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03941	1.1
54.42122	0.4
55.01857	0.6
55.05494	0.9
56.00269	0.3
56.96563	6.0
56.98568	0.4
57.03422	0.4
58.36907	0.3
59.68429	0.4
63.02383	0.4
65.03939	1.3
67.05487	0.8
69.03429	0.5
69.07056	0.4
69.61292	0.9
69.61716	1.7
71.95258	1.4
72.08145	0.4
79.05492	4.2
83.04975	0.6
83.08642	0.4
89.03920	19.4
91.05477	4.1
93.03405	1.0
93.07047	2.8
95.04955	2.1
97.06529	0.5
98.21495	0.4
98.97587	45.3
103.05470	2.8
105.04533	0.4
105.07032	0.5
107.04271	0.8
107.04958	10.2
107.08589	0.8
111.04456	1.9
116.26109	0.4
116.98627	27.5
117.03381	22.2
117.04225	0.8
117.06984	0.4
119.04954	0.5
121.02890	0.7
121.06499	3.6
121.10116	0.8
125.06002	0.7
128.55298	0.4
131.04958	0.5
134.99664	10.3
135.04419	39.1
135.08043	1.7
135.11656	0.5
137.05981	0.5
137.55185	0.4
139.03923	1.0
140.00183	0.6
145.02855	26.9
146.03143	0.6
148.05206	0.7
149.02242	0.4
149.05962	2.0
153.00652	0.7
153.05438	0.6
158.01276	1.5
158.99559	0.6
163.03908	100.0
164.04282	1.2
165.77562	0.4
177.00720	0.7
181.04924	3.0
181.06190	0.4
181.08624	1.5
181.10835	0.4
181.12146	0.7
194.67807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.01585	0.3
52.51121	0.3
53.03936	1.0
56.96576	1.5
63.02380	0.7
65.03942	3.7
67.05495	1.2
69.03443	0.7
71.02988	0.6
71.95250	0.5
77.03931	0.4
79.05505	3.8
81.07089	0.5
82.04192	1.2
83.04964	0.3
85.02910	1.4
89.03925	20.3
91.05490	4.2
93.03419	1.3
93.07047	2.0
95.04980	1.1
97.06580	0.7
98.97591	16.2
103.05467	1.6
105.04504	0.7
107.04964	5.8
107.08621	0.6
108.02104	0.6
110.03677	1.1
111.04446	1.3
116.98638	8.6
117.03390	22.8
118.03727	0.4
119.04938	1.2
121.06529	3.0
121.08447	0.4
121.10174	0.7
122.03643	0.4
125.06010	1.0
134.99654	2.3
135.04428	41.1
135.11679	0.3
136.04802	0.5
137.05972	1.8
138.03130	0.5
139.03885	1.1
140.03426	0.9
142.02599	0.4
144.55965	0.4
145.02864	26.5
145.03902	1.2
146.03157	0.6
149.05998	1.5
149.61783	0.3
150.97746	0.3
151.07553	0.7
151.56853	0.7
153.05544	0.7
163.03917	100.0
164.04297	1.7
171.06535	0.9
181.04947	5.5
181.06165	4.0
181.08456	1.5
181.12157	0.5
198.13957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03954	1.8
55.01881	1.1
55.05511	2.8
56.96568	10.3
57.04556	2.0
57.07080	11.7
57.45409	1.2
59.04996	2.0
67.05506	1.7
69.03416	2.7
69.07069	1.6
69.43495	2.8
69.43908	5.7
71.95273	3.3
73.21679	1.0
74.24261	1.1
77.94859	1.1
79.05501	7.7
81.03417	4.4
81.07060	3.4
83.04986	30.3
85.06495	1.1
91.05504	3.4
93.07042	6.5
95.04977	11.1
97.06541	15.2
98.97591	100.0
99.05578	5.0
105.07046	4.1
107.04939	2.2
107.08614	7.3
116.98627	62.2
117.07015	1.3
119.08605	2.4
121.06522	1.7
121.10148	9.8
123.08032	1.5
125.05997	38.8
130.07825	1.2
134.21588	1.0
134.98749	1.8
134.99672	21.3
135.08034	1.4
135.11699	4.5
140.00189	10.6
145.10153	6.3
153.00713	1.7
158.01265	5.5
163.03969	1.3
163.11191	63.8
163.66777	1.1
165.07056	1.1
166.07826	2.3
181.06139	3.7
181.10461	2.4
181.12216	19.4
203.09015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03932	0.9
55.01863	1.5
56.96556	1.7
57.03432	2.4
58.86621	0.5
58.99872	0.5
61.02921	1.3
61.76553	0.5
63.20631	0.5
65.03971	0.5
65.46726	0.4
68.98277	0.5
69.03426	1.9
69.51878	3.1
70.99841	1.1
73.02908	2.0
77.00925	0.5
81.03432	1.1
82.01462	2.2
84.04484	0.6
84.08125	0.6
85.02924	2.5
91.02489	0.5
91.05484	41.0
92.05803	0.5
93.01897	0.6
93.07065	0.8
94.58006	0.4
95.04973	16.8
97.02875	2.6
98.97595	5.7
100.02473	3.3
101.00888	3.0
101.01474	0.5
102.02411	0.6
103.05467	2.1
107.04935	1.5
109.02898	0.6
109.06536	1.1
111.02897	0.6
113.00873	2.6
115.02454	1.2
116.98627	2.1
118.03526	0.7
118.06529	1.9
119.01949	3.3
119.04947	42.5
119.97886	1.2
120.05291	0.7
121.06497	1.1
123.04433	54.0
124.04760	1.0
126.98766	1.4
131.01901	3.8
132.03502	0.6
133.03458	1.3
134.99620	0.6
136.07582	100.0
137.07919	1.1
138.05473	1.1
141.00391	0.6
143.01903	2.0
144.99808	3.3
145.03461	1.3
147.03209	0.9
147.04401	17.8
148.04779	0.7
149.02986	0.8
154.03500	1.5
155.01897	2.3
158.99606	0.6
159.01463	2.5
159.05031	1.2
160.04539	0.7
161.02982	1.9
161.05635	0.6
163.96808	1.2
164.05722	2.8
164.06969	0.7
165.05481	27.0
167.01993	0.5
168.01480	2.2
173.02983	2.1
177.00909	0.8
177.02438	4.7
182.02985	1.3
182.04485	0.7
182.06670	1.0
182.08151	4.7
185.02994	1.5
195.03606	0.5
200.04059	0.7
201.00662	0.5
203.04054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
52.85826	0.9
54.27237	1.0
55.05511	8.7
56.96563	1.5
57.03424	2.1
57.07064	2.6
58.02689	1.8
58.02964	32.7
66.44696	0.9
67.05508	23.3
69.07073	63.0
70.06585	3.2
71.08655	1.1
71.51152	1.7
74.06072	1.6
78.65115	1.2
79.05492	7.6
81.07067	19.3
83.04979	1.7
83.08619	6.6
84.08156	9.5
86.06082	1.4
91.05480	5.7
91.27367	0.9
93.07050	9.7
95.04973	2.8
95.08606	7.7
97.06533	4.2
98.06080	2.1
98.09692	2.9
98.97585	10.2
99.97939	5.4
100.07614	7.3
105.07042	13.7
107.08595	17.4
109.06506	2.2
109.10159	45.0
112.07597	3.7
114.09170	13.3
115.65541	1.3
116.98620	4.3
117.98972	2.2
119.08611	1.6
121.10128	2.8
123.11727	8.7
126.09164	17.1
126.12818	1.3
133.10135	26.1
135.11710	21.4
138.12794	21.2
140.10732	1.6
147.11678	4.8
149.81671	1.0
151.11182	9.3
153.12750	14.1
154.15895	1.9
164.14355	3.2
165.12770	2.7
182.15417	100.0
183.15767	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	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11335	1.1
51.82837	1.1
53.03936	3.7
53.64114	1.4
55.01871	14.2
56.96573	2.2
57.03178	2.0
57.03439	30.7
57.03721	2.0
57.89504	1.1
58.99870	3.5
61.02926	26.9
68.98289	2.3
69.03428	37.8
70.99857	2.5
71.01360	2.6
71.05016	3.3
71.59733	2.4
73.02918	65.1
79.02151	2.9
81.01913	3.3
81.03419	13.6
82.99847	10.9
85.02905	45.4
86.99344	1.5
87.01913	4.5
87.04433	1.4
88.02689	3.3
89.00885	1.9
90.02412	1.8
91.03964	2.0
92.02941	1.8
93.01891	7.8
94.02669	7.8
94.99850	2.4
96.02402	4.8
97.01405	2.3
97.02884	38.2
98.03244	1.7
98.97598	1.8
99.01877	2.0
99.04449	8.5
100.02685	7.2
101.00883	74.6
101.03438	2.2
102.00980	4.8
102.02425	14.6
102.52580	2.2
103.02505	1.6
103.03185	3.8
103.03885	1.8
105.01900	1.7
106.02668	4.9
107.03407	1.7
107.53526	1.8
108.02390	8.3
109.02821	7.5
111.02181	2.3
111.02916	15.2
112.02643	1.6
113.00867	25.5
114.00999	2.1
114.02397	7.5
115.02435	7.9
115.03182	4.3
115.03916	1.6
117.02944	5.2
118.03670	1.6
119.01920	100.0
120.02290	5.3
120.03391	1.8
121.03182	2.9
123.02905	15.1
123.04380	1.9
123.52982	1.8
124.02423	1.9
126.02409	2.2
126.03450	1.3
127.02384	8.5
127.03893	11.2
128.02419	1.4
129.00349	1.7
129.02922	8.8
129.03911	3.0
129.53030	1.5
131.01903	42.2
132.02081	4.3
132.03445	7.9
133.03476	5.5
135.02907	5.7
137.02950	13.9
137.07899	2.1
138.03424	15.7
138.53493	3.8
139.02426	4.0
142.03503	15.3
143.01897	68.3
144.02061	8.0
144.03453	4.9
145.03458	23.8
146.03606	3.0
147.01413	4.1
147.03995	1.6
147.05022	1.3
149.02960	2.3
153.03928	2.5
155.01895	52.9
156.02032	6.9
157.01653	1.7
157.02084	1.6
157.03465	17.9
158.03639	1.8
160.04561	7.4
161.02963	55.1
161.04303	3.0
162.03030	6.0
163.04465	2.5
165.03952	2.5
167.01906	20.5
168.02016	2.8
169.01831	1.5
169.03467	4.9
171.01414	2.2
171.05026	2.6
173.02968	60.4
173.04498	2.9
174.03119	6.9
174.04440	1.7
175.04565	2.9
178.05650	1.5
179.01886	2.6
179.04013	4.3
181.03506	2.5
184.04573	2.2
185.02959	45.5
186.03131	8.7
187.04478	4.1
189.02460	1.9
191.04031	4.1
197.02997	9.6
199.04558	2.7
203.04015	20.6
204.04089	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	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02383	1.3
53.03949	16.2
55.01872	4.5
55.05517	0.8
56.96567	1.3
57.03427	0.8
58.80241	0.3
61.02927	0.5
65.03945	6.3
67.05506	10.4
69.03428	3.0
69.07075	0.9
71.04999	1.9
71.25082	0.7
72.08144	0.8
72.40037	0.3
77.03934	2.8
79.05494	1.6
80.02629	0.5
81.03406	2.9
81.07051	3.0
83.01363	0.3
83.04986	1.1
85.02896	1.0
85.06557	0.5
87.04446	0.4
91.05495	2.1
93.07058	1.3
94.04182	0.5
95.04969	100.0
95.08604	3.1
96.05292	0.9
97.02919	0.9
97.06534	1.7
98.97619	1.4
98.98466	1.6
99.04465	2.4
100.97171	0.5
101.00908	0.5
105.03407	2.3
105.04513	8.1
105.07012	1.4
107.08595	0.8
108.02111	1.0
109.02870	0.7
109.06503	3.0
109.10162	1.1
110.03660	0.5
110.06106	0.4
111.04430	1.4
111.44469	0.4
116.98637	0.7
118.06549	0.7
119.01922	1.0
119.04973	0.9
119.08580	1.3
121.03984	1.1
121.10126	1.5
123.04430	83.7
123.08045	2.2
124.04789	0.5
124.07596	0.6
125.02352	5.0
125.05984	1.0
125.09624	1.5
127.07531	2.0
133.02831	0.8
137.05988	1.7
137.09621	1.4
138.09105	1.0
139.07545	0.9
140.04684	33.7
141.05431	0.4
146.06003	0.5
147.04408	2.1
147.08076	0.6
147.11678	0.7
151.03912	2.0
152.56717	0.6
155.07033	19.5
155.10570	0.8
165.05531	0.5
165.09103	1.6
165.12770	0.6
166.08636	0.7
183.05270	0.4
183.06610	4.5
183.08072	0.6
183.10213	1.7
183.11539	0.4
183.13783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02378	1.3
53.03949	14.0
55.01874	4.3
55.05510	1.2
56.96558	1.5
57.03448	0.9
61.37069	0.4
65.03944	6.7
67.05505	10.3
69.03430	2.2
69.07068	1.0
70.06602	0.5
71.04996	1.0
71.25810	0.8
77.03941	3.1
79.05477	2.1
81.03423	3.0
81.07053	2.2
83.04980	1.3
85.02908	1.3
85.06532	0.9
91.05488	1.9
93.03408	1.0
93.07043	1.7
95.04971	100.0
95.08588	2.8
96.05298	0.7
97.02895	0.7
97.06514	1.2
98.97577	1.5
98.98508	2.0
99.04468	1.5
100.97169	0.4
105.03429	3.1
105.04517	8.0
105.07030	0.9
107.08605	0.8
108.02085	1.2
108.03359	0.4
109.02876	0.9
109.06523	2.0
109.10155	1.2
110.03638	0.8
111.04474	1.1
116.98600	0.7
118.06541	0.5
118.98191	0.4
119.04920	1.1
119.08586	1.9
121.03992	1.6
121.10150	0.9
123.04433	84.0
123.07993	2.1
124.04721	0.6
124.07596	1.4
125.02352	5.2
125.05983	1.4
125.09624	0.8
127.07539	1.7
133.02811	0.8
133.47571	0.4
137.06032	1.0
137.09631	1.6
138.09183	0.5
139.07516	1.2
140.04692	33.4
141.09091	0.4
141.55431	0.4
147.04384	1.9
147.11638	0.4
151.03896	4.2
151.06129	0.6
152.56732	0.5
153.05847	0.4
155.07039	18.8
155.10600	0.8
164.49576	0.4
165.09129	1.3
179.05843	0.4
183.06567	5.7
183.08060	1.0
183.10124	1.5
183.11572	0.6
183.13802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76340	11.7
69.03421	27.9
70.18977	21.4
70.19393	39.3
75.03899	13.7
80.67475	13.9
83.02468	87.3
85.02934	12.1
85.82277	11.7
95.04965	25.8
95.71941	12.7
98.98504	68.7
99.04428	17.4
101.03511	100.0
105.03403	21.6
123.08051	12.1
124.08711	13.8
124.34494	11.4
143.14716	12.2
183.09477	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89517	0.4
55.79824	0.4
56.70998	0.4
60.77476	0.4
61.75641	0.4
64.86275	0.4
69.75389	2.0
82.99837	5.0
100.02457	0.5
101.00888	51.1
102.00993	0.9
119.01929	100.0
120.02094	1.8
124.02464	2.9
133.03467	0.5
137.02968	16.7
142.03513	22.4
143.01953	0.5
143.03694	0.6
150.61235	0.4
160.04565	3.8
161.02980	10.6
179.04025	9.1
199.20067	0.4
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
55.01868	1.3
57.03434	3.7
58.36552	0.6
61.02914	2.6
69.03437	3.2
71.52264	1.0
73.02917	6.5
81.03427	1.4
82.99852	5.9
84.74578	0.7
85.02916	5.6
94.44113	0.8
94.52747	0.9
97.02917	3.7
101.00884	50.3
102.00954	3.2
102.52551	1.0
103.00652	1.5
104.10752	4.0
108.52495	0.8
111.52996	1.0
112.02841	0.7
113.00862	1.8
115.00669	2.0
115.02396	0.7
119.01925	100.0
120.02042	3.5
121.01669	2.2
124.02483	2.8
129.53076	0.8
131.01917	1.9
132.02045	1.5
133.01665	1.9
133.03464	1.2
137.02966	16.4
138.05565	0.9
142.03503	20.9
143.01920	5.9
144.02031	3.6
145.01579	3.3
145.03456	1.9
153.29651	0.8
155.01907	2.1
156.02029	2.0
157.01666	1.7
157.03505	1.0
158.03531	1.4
160.04573	3.2
161.02968	17.0
161.04306	1.3
162.03162	1.9
163.02753	1.3
169.01823	0.7
173.03001	2.0
174.03122	3.1
175.02699	2.3
179.04045	8.0
180.01942	0.8
184.04602	1.3
185.02979	1.6
186.03162	2.4
187.02821	1.0
198.03108	0.7
202.05466	0.7
203.04089	1.2
204.04279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03168	0.4
57.03433	1.3
58.99871	0.4
61.02930	0.9
69.03433	1.0
69.81752	2.4
73.02908	1.5
80.89503	0.4
82.99842	4.7
85.02894	0.9
94.52713	0.5
97.02914	1.3
98.97569	0.7
100.86591	0.4
100.89680	0.5
101.00888	46.2
102.00974	1.6
104.10780	0.5
113.00851	0.6
114.00928	0.6
115.02435	1.1
119.01929	100.0
120.02006	3.2
121.02384	0.7
124.02453	3.3
133.01686	1.4
137.02963	16.7
137.04024	1.0
138.53569	0.4
142.03510	22.2
143.01956	1.7
143.03601	0.7
144.02025	0.5
145.01682	0.5
145.03574	0.5
156.02094	0.5
156.03276	0.8
160.04552	4.0
161.02971	12.5
162.03128	0.9
174.03122	0.7
179.04034	8.3
182.94380	0.5
185.02928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.05816	0.4
56.05032	1.3
58.06610	0.8
60.08168	17.9
61.50856	0.5
69.22710	5.1
71.07378	11.1
71.95279	0.6
83.09590	0.5
86.09710	100.0
87.10047	1.2
98.20679	0.9
98.51511	0.4
98.98473	18.3
101.95039	10.5
102.96864	1.3
104.10760	5.0
110.94030	0.5
119.96076	3.7
125.00011	80.4
126.38826	0.4
137.97086	0.9
142.97610	0.8
160.98686	0.7
184.07353	88.9
185.07619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.43894	0.8
56.05033	1.4
56.96571	3.2
58.06617	0.8
60.08164	20.3
60.95144	0.8
60.95861	2.0
69.03432	1.2
70.06609	1.0
71.07372	11.7
71.95273	3.7
81.07053	0.8
86.09709	100.0
87.10062	1.0
89.86575	0.6
92.36953	0.7
93.07053	0.7
95.08566	0.9
96.05324	1.5
97.02868	0.8
98.06065	0.9
98.98474	17.1
101.95037	61.1
102.96872	3.7
104.10737	4.6
105.03395	0.8
110.09647	0.8
119.01915	1.8
119.96077	25.9
119.98194	1.0
120.97924	3.5
125.00008	78.0
126.00382	0.9
127.03938	1.2
137.97099	17.9
137.99763	1.5
138.09123	1.5
138.98952	2.3
139.71507	0.7
142.97668	2.6
143.00984	0.8
152.79892	0.7
155.98172	4.8
160.04803	0.7
160.98701	7.4
161.01486	0.7
161.04729	1.1
163.64639	0.7
166.05061	0.8
166.08669	1.4
178.99690	1.8
184.07358	94.5
184.16905	0.8
187.55606	0.7
201.00644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01894	22.9
71.50072	48.5
119.01920	87.4
120.02022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0711
Annotation	Fuberidazole
Peak:m/z	Relative Intensity
55.05485	1.8
56.96544	1.3
65.03943	0.8
67.05500	2.4
68.99772	1.0
69.03408	1.1
69.07057	1.4
70.06595	10.2
70.74836	1.0
70.75212	1.0
71.04971	1.9
72.08140	1.4
72.92026	0.5
79.01848	1.5
79.05493	3.3
81.07066	2.7
82.04188	1.0
83.04969	0.8
84.08122	1.3
84.49197	0.4
85.02875	0.6
86.09711	2.7
91.05452	0.5
91.52549	0.6
92.86369	0.4
93.03362	0.5
93.04496	0.4
93.07011	2.0
95.01324	3.2
95.04940	1.9
95.08571	1.5
97.02966	0.4
97.06516	1.3
98.97560	1.5
99.04464	0.7
102.00962	0.6
102.96850	1.6
103.05460	2.8
105.07038	0.6
107.01304	0.6
107.08595	3.2
109.02871	0.9
110.02982	0.6
110.03673	10.9
111.04472	3.4
111.08035	0.5
117.03385	0.6
119.01873	0.7
120.97909	0.8
121.00771	0.7
121.10136	3.4
123.04391	0.6
123.11667	0.7
125.06003	31.5
125.09624	1.4
127.03914	2.6
129.05670	0.5
129.06967	1.0
130.06538	49.2
131.04924	0.6
135.04355	0.5
139.03902	8.5
139.09473	1.0
139.11153	1.3
139.28926	0.5
140.04837	0.7
142.06277	0.5
142.07771	0.7
145.02821	0.9
148.07553	1.3
150.85561	0.5
153.05478	40.3
154.06267	16.4
155.03433	0.7
156.06821	8.3
157.06476	0.8
157.07613	6.9
158.06026	45.0
159.06366	0.6
167.05946	0.6
167.08952	0.7
167.10614	1.0
170.05710	2.4
170.10893	0.5
181.02850	0.8
184.06264	1.2
185.07071	100.0
185.13239	1.1
186.05678	0.5
186.07419	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	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01870	0.7
55.05504	0.6
56.96566	1.2
59.81083	0.6
65.03928	2.1
67.05492	1.5
68.99783	2.0
69.03442	0.9
69.07062	0.6
70.06594	3.0
70.71883	1.3
72.08168	0.9
75.04472	1.6
78.43716	0.6
79.01856	2.0
79.05479	0.8
81.07063	0.9
82.04203	3.0
83.04980	1.0
85.02917	0.8
86.09702	1.8
93.03413	1.3
93.07028	1.6
95.01324	7.7
95.04970	2.1
97.06538	1.1
97.21418	0.6
98.97586	1.6
99.04456	1.2
102.96878	1.9
107.01300	1.3
107.08590	0.9
109.02855	1.2
110.03665	29.2
111.04453	7.5
120.97900	0.7
121.10178	0.7
123.04427	2.4
125.05993	82.8
127.03934	4.7
130.06522	9.6
135.04491	0.6
138.03165	1.7
139.03902	18.4
140.04678	1.0
141.05470	0.6
153.05466	100.0
154.06256	40.2
155.03371	4.0
155.06946	1.8
156.04250	0.7
156.06873	1.7
157.06494	0.8
157.07625	1.8
158.05998	8.1
163.01878	0.6
170.05740	6.9
181.02908	0.8
185.04652	0.8
185.06981	13.9
185.08153	19.8
186.07457	0.8
198.38527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01807	0.9
55.05449	1.1
55.05700	0.8
56.96511	0.5
57.03368	0.8
60.08435	0.5
65.03893	1.2
67.05422	2.4
68.99722	2.1
69.00049	0.5
69.03379	0.5
69.07020	1.0
70.06537	0.6
70.83713	1.7
71.04950	1.2
75.04443	1.2
79.01792	1.7
79.05453	1.0
81.03379	0.5
81.06989	2.0
82.04212	2.6
83.04918	1.5
84.08076	0.6
85.02895	0.6
85.06474	0.9
85.16782	0.5
86.09708	5.7
91.05446	0.7
93.03326	1.4
93.06992	1.9
95.01328	8.5
95.04910	2.2
95.05450	0.6
95.08560	1.8
97.02892	0.6
97.06477	1.2
98.97573	1.0
99.04391	1.2
102.96828	1.5
103.05466	0.6
105.07018	0.6
107.01321	0.9
107.08556	1.1
109.02832	1.5
109.10137	1.9
110.03671	31.9
111.04462	7.5
117.03362	0.7
120.97881	1.3
121.10127	1.2
123.00806	0.6
123.04439	2.5
124.05219	0.8
125.05998	87.3
126.06334	0.6
127.03931	6.5
127.07597	0.6
129.06978	0.8
130.06548	3.1
135.04501	0.5
138.03123	1.5
138.99019	0.6
139.03915	21.7
139.11168	0.6
140.04659	0.9
141.05515	0.6
141.06895	0.4
142.06348	1.1
142.07756	0.8
143.08597	0.9
145.02859	0.7
146.94530	0.5
149.09686	0.8
149.13271	0.6
153.05472	100.0
154.06258	42.1
155.03429	2.5
155.07036	1.5
156.04201	0.9
157.07582	0.8
157.08826	0.6
157.10211	1.5
158.06047	2.5
163.01897	0.5
167.10724	0.6
170.05746	6.4
170.11075	0.8
181.03049	0.5
185.04683	0.8
185.08270	24.4
185.13446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
51.02370	0.6
55.01866	0.7
55.05511	0.8
55.34879	0.6
55.57251	0.7
57.44226	0.6
62.98671	0.5
65.03928	1.5
67.05487	1.1
68.99795	1.5
69.07059	0.7
70.06609	3.5
70.17968	0.6
71.11539	1.2
71.76545	0.5
75.04498	1.3
79.01855	1.6
80.02618	0.7
80.48439	0.6
81.03448	0.6
82.04195	2.8
83.04977	1.1
86.09698	1.4
91.05419	0.6
93.03387	1.2
93.07039	1.4
95.01337	9.1
95.04957	2.2
96.95270	0.6
98.97622	0.7
99.04449	1.2
102.96867	0.9
106.21569	0.6
107.08585	1.0
109.02868	0.6
110.03670	30.8
110.04442	1.5
111.04458	7.4
111.32125	0.5
120.97937	0.9
123.00779	0.9
123.04414	1.7
125.06000	82.4
126.06364	1.1
127.03946	5.1
130.06528	7.4
134.03627	0.7
138.03049	1.1
139.03911	21.1
140.04739	1.1
142.06175	0.7
153.05475	100.0
154.06264	45.6
154.07303	0.5
154.07605	1.0
154.50702	0.6
155.03433	3.4
155.06973	1.1
156.04123	1.0
156.06825	0.6
157.07617	1.1
158.06001	5.6
170.05756	7.8
185.06860	5.7
185.08371	20.6
196.38861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.3
67.27496	0.2
68.05031	0.4
69.07095	0.2
70.06596	100.0
70.90011	0.5
71.06931	0.7
84.08141	1.0
85.02932	0.3
89.03920	2.2
93.06430	0.2
98.97539	0.2
114.05566	0.5
117.03391	2.9
118.02277	0.2
121.00793	0.4
126.05531	0.4
126.12818	0.6
130.06508	0.3
135.04453	0.4
139.01884	0.3
144.07742	0.4
145.02852	3.9
145.29059	0.2
158.06029	1.1
163.01810	0.8
163.03954	0.4
168.13866	2.1
173.20149	0.2
181.02954	0.5
186.05472	1.4
186.07050	0.2
186.14929	1.6
194.11479	0.2
209.05258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01871	2.6
55.05491	4.0
55.32379	1.0
56.05023	4.2
56.96571	25.4
57.03417	3.9
58.06603	29.7
58.99843	1.4
59.04986	1.1
60.04510	3.9
60.67414	1.2
61.02917	3.0
67.05496	3.6
68.05858	1.0
69.03432	7.5
69.07054	2.4
70.06237	1.6
70.06596	21.3
70.98106	3.5
70.99863	1.7
71.01355	1.6
71.04968	4.2
71.58767	2.2
71.92990	1.5
72.04508	2.5
72.08159	21.1
73.02911	3.9
73.06498	1.0
74.06065	1.8
74.97585	1.7
75.07417	1.1
77.00900	1.3
79.05491	1.8
80.04976	1.1
81.03433	8.5
81.07050	2.7
82.06563	2.4
82.99843	1.9
83.04970	1.7
83.08640	1.1
84.04534	6.9
84.08149	100.0
84.96035	1.0
85.01408	1.3
85.02903	9.9
85.08492	1.6
86.03588	1.4
86.06086	1.0
86.09697	3.4
87.04469	1.4
88.02211	3.1
88.99120	2.9
93.07050	1.7
95.04942	3.1
97.02892	13.2
98.06067	3.0
98.09690	1.1
98.97585	23.8
99.04448	2.6
100.02511	1.3
100.07626	21.0
101.00889	20.1
102.00975	3.2
103.00644	13.3
103.01293	2.2
103.02437	4.6
104.00964	4.3
106.06528	1.0
107.05001	1.2
109.02873	2.6
110.06018	1.1
110.09674	2.2
110.97554	1.4
111.04440	1.5
112.07552	1.5
112.11244	1.3
113.00861	3.0
113.02335	1.2
113.10750	4.8
114.05545	1.7
114.09178	22.3
115.00620	4.1
115.02428	4.5
115.05482	1.9
116.03468	1.2
116.07077	3.5
116.98627	10.9
117.02163	2.2
119.01932	54.6
119.02792	2.7
120.02024	9.4
121.01674	41.9
121.03526	1.6
122.01991	12.9
124.07551	2.1
125.97580	1.3
126.02167	1.6
126.12750	2.5
127.02438	1.6
127.03885	3.6
127.12324	42.4
128.02309	1.9
128.07066	2.1
128.10677	1.6
128.98587	3.2
129.10234	3.8
130.03471	1.3
130.08661	12.2
131.00168	1.4
131.01968	8.2
131.11777	4.4
133.01654	6.8
133.03453	7.8
134.99689	5.9
135.03159	3.1
137.02988	12.1
138.03165	1.8
138.07629	6.3
139.02699	11.3
140.03065	4.6
140.10722	7.4
141.10225	3.7
142.03511	1.7
142.06616	1.9
142.08646	42.1
143.01921	6.6
143.05502	1.4
144.02139	1.3
144.03230	3.8
145.01611	4.3
145.03497	13.0
146.03517	1.5
146.91833	1.3
146.99619	2.3
147.03174	2.4
147.05035	1.8
147.08118	1.6
149.02950	1.5
151.04480	3.4
152.10663	1.5
155.01863	1.3
155.11775	1.2
156.11256	2.3
157.01624	2.3
157.03468	7.5
158.99646	1.7
159.03203	4.8
159.06747	3.4
159.11409	1.1
161.02969	5.0
162.04257	1.3
162.99080	1.4
163.02704	10.8
163.04500	3.0
163.97586	1.3
164.03180	1.4
169.03456	3.2
169.09746	2.6
169.13361	5.0
170.06029	3.3
170.08145	2.3
170.11771	66.0
171.05107	2.0
171.12073	2.4
173.00842	1.7
173.02921	2.2
174.99126	2.0
175.02693	3.0
175.04501	3.5
176.04016	1.6
177.00763	1.7
177.04167	1.9
181.03722	4.3
182.04282	2.2
185.02969	1.2
187.00832	3.4
187.02681	6.1
187.04480	12.0
187.06187	4.0
187.08771	9.4
187.14384	68.3
187.61053	2.5
188.04567	2.0
188.09302	2.0
188.12912	1.4
188.14740	1.3
203.04080	1.5
205.00133	1.3
205.03755	3.0
205.05502	4.3
205.07182	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03928	1.6
54.90007	0.8
55.05504	2.4
56.05025	1.2
56.19833	0.7
56.96568	4.9
57.07078	4.2
60.04531	1.0
67.05510	8.6
69.03421	3.0
69.07056	3.8
70.98130	1.0
76.80513	0.9
79.05499	8.3
81.03413	2.7
81.07063	6.3
83.04969	0.9
83.08625	2.9
84.08141	2.4
85.02907	1.9
85.08486	1.3
88.02219	8.6
91.05488	19.2
93.07051	7.2
95.04985	1.1
95.08611	5.1
99.04462	1.1
100.07627	1.2
103.05457	1.4
105.07042	21.4
107.08607	4.7
109.02824	1.0
109.10153	1.8
109.93855	0.8
111.04403	1.2
114.05483	0.7
115.05435	2.0
116.06234	2.2
117.07037	22.8
119.07779	1.4
119.08595	18.9
119.38115	0.8
121.10155	3.5
127.13161	2.4
128.97849	1.3
129.07024	4.6
130.07794	4.4
131.04935	1.3
131.08580	59.6
131.48068	0.9
133.10130	4.9
140.58682	0.9
142.08600	1.5
143.08592	4.7
144.09335	2.6
145.10136	91.8
146.08124	1.4
147.06702	0.8
154.07753	1.2
157.10144	2.6
158.10934	1.2
159.06937	1.8
159.08099	2.4
159.11716	13.7
172.08824	1.2
172.12524	2.8
187.03809	1.1
187.07588	2.0
187.11362	6.1
187.14841	100.0
187.22487	1.8
188.15190	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03934	1.3
55.05506	3.3
56.96567	1.9
57.07066	2.9
67.05500	9.5
67.19111	0.7
69.03427	1.8
69.07065	4.8
69.44937	5.2
79.05500	7.9
81.03431	2.0
81.07063	5.6
83.08616	2.6
85.02883	0.8
85.08421	0.8
88.02210	6.5
91.05483	22.8
93.07042	6.7
95.04962	2.0
95.08614	5.3
103.05476	1.2
103.22435	0.6
105.03407	0.8
105.07034	23.5
107.04947	1.5
107.08601	4.4
109.10132	0.9
115.05476	2.9
116.06240	1.6
117.07024	23.8
119.08581	18.3
121.10167	2.6
128.06212	1.2
129.07019	5.9
130.07794	6.3
131.08577	61.0
133.10147	4.3
141.07011	0.8
142.07759	1.8
143.08543	5.4
144.09363	4.4
145.06541	4.1
145.10126	100.0
146.10564	1.1
154.07825	1.6
157.06473	0.9
157.10178	4.0
158.07291	0.9
158.10912	2.9
159.06924	1.4
159.08092	2.5
159.11703	19.8
169.10161	2.3
172.08830	1.1
172.12404	1.4
185.13295	1.4
187.11264	11.0
187.14827	93.6
187.22495	1.4
188.15240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01157	0.4
52.49205	0.4
70.83740	0.5
70.84064	0.7
90.77818	0.4
91.05476	4.0
103.05489	0.8
115.05458	4.7
117.05746	1.2
117.07006	4.3
118.06546	66.7
119.06913	0.6
132.08072	0.6
134.77011	0.4
142.06514	5.2
143.07310	10.1
144.04472	1.1
144.08095	25.2
145.06471	0.4
146.06012	100.0
147.06380	0.8
155.06027	1.0
160.07611	1.3
170.06010	8.2
188.07069	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.81667	0.4
57.81861	0.3
60.41777	0.3
70.84071	0.8
91.05473	4.0
96.59453	0.4
103.05494	0.6
115.05450	4.0
117.05764	1.2
117.07011	3.4
118.06545	60.1
119.06918	0.6
142.06519	6.0
143.07314	9.8
144.04393	0.5
144.08087	21.4
145.06540	0.7
146.06009	100.0
147.06342	1.6
155.06062	0.8
160.07584	1.3
170.06017	8.6
188.07066	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01868	8.2
55.05512	8.4
56.96547	4.0
57.03427	2.0
61.02910	3.0
67.05502	16.7
69.03432	23.2
69.07055	6.6
70.76957	4.0
70.77314	1.7
71.04992	3.1
79.05126	1.8
79.05499	21.0
80.23383	1.5
81.03393	2.9
81.07050	13.4
83.04991	13.1
83.08601	2.0
84.68326	1.5
84.91039	1.3
85.02889	3.3
85.06543	1.5
86.20950	1.4
90.01738	1.7
91.05481	67.8
93.07047	14.7
95.04957	6.0
95.08607	7.8
97.06487	1.8
98.97619	1.7
99.04436	4.8
100.68556	1.4
103.05421	2.0
105.06376	2.7
105.07035	46.6
105.07742	2.3
106.96552	5.5
107.04920	5.2
107.08574	8.0
109.10117	2.2
110.43562	1.3
111.04436	4.2
115.05441	5.1
117.06355	1.3
117.07047	11.2
119.07781	2.3
119.08580	29.5
121.06487	3.1
121.10155	3.7
124.04624	1.9
124.97613	3.9
128.06244	7.1
129.03333	2.8
129.05551	7.7
129.06999	37.8
130.07776	4.3
131.04910	1.9
131.08566	8.2
133.06474	5.5
133.10112	21.4
135.08026	1.7
141.06979	2.4
143.08563	20.6
144.07930	1.5
145.06458	2.5
145.10132	31.2
146.07214	2.7
147.06523	3.5
147.08026	11.2
147.11694	17.3
149.02347	2.1
156.09338	6.9
161.05971	3.9
161.07153	2.6
161.09592	5.2
161.13249	19.4
162.05537	2.3
171.05540	4.5
171.11694	51.1
174.06802	4.8
174.10330	2.8
189.05435	6.3
189.06848	2.1
189.09116	13.5
189.12729	100.0
189.16328	12.3
190.04810	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05518	4.6
67.05499	3.9
69.03430	9.4
69.07059	2.7
69.73579	4.8
73.83807	0.7
79.05472	3.3
81.07044	3.5
83.05006	1.6
86.12755	0.8
91.05479	9.6
93.07039	5.6
95.04945	1.2
95.08609	0.9
98.20815	1.6
103.05459	0.8
105.07024	20.9
107.04907	0.9
107.08594	4.9
109.06522	1.0
114.50323	0.8
115.05437	1.4
117.07015	2.3
117.40721	0.7
119.04971	1.3
119.08582	46.9
121.06467	2.0
121.10152	1.6
128.06166	1.7
129.06987	2.2
131.08560	12.4
132.05682	1.2
133.06482	3.7
133.10141	15.3
135.08083	6.8
141.06973	3.3
143.08543	6.0
145.06483	3.7
145.10100	3.3
146.07222	1.0
146.10817	1.3
147.08044	22.1
147.11682	21.0
155.08505	1.0
156.09346	17.9
159.08052	18.4
159.11697	3.2
160.08846	7.9
161.09619	10.9
161.13252	23.5
165.77328	0.8
171.11697	15.3
173.09702	1.1
174.10403	35.8
175.10767	1.0
189.12741	100.0
190.13077	2.2
194.43842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.52813	1.0
55.05492	3.3
57.03423	1.3
57.52893	1.3
59.87570	1.3
65.03928	1.5
67.05496	1.6
69.03430	12.2
69.07040	2.1
69.81425	7.3
71.04975	1.6
79.05482	4.1
81.07056	5.5
82.81099	1.1
83.04966	4.9
85.02895	4.7
86.00642	1.3
86.09688	5.0
91.05474	12.5
93.07040	3.1
95.04991	1.6
95.08587	3.7
99.04426	1.4
99.99293	1.2
103.05461	2.1
105.07033	23.1
106.52486	1.4
107.04951	1.4
107.08587	5.5
109.06542	1.6
109.10041	1.3
115.05441	4.2
116.06256	2.1
117.07011	7.6
119.08587	31.6
121.10112	2.3
128.06198	5.4
129.03409	1.5
129.05560	1.3
129.07019	8.1
130.07776	4.8
131.08562	17.0
133.06471	5.0
133.07474	1.2
133.10104	11.3
134.05981	1.2
135.08052	1.4
141.06967	9.2
142.07782	1.9
143.08534	10.4
144.09309	2.8
145.06436	4.1
145.10136	18.2
146.03674	1.6
146.06120	1.4
146.07285	1.3
146.10909	1.7
147.06355	1.7
147.08022	10.1
147.11685	24.3
155.08592	3.6
156.09344	56.2
159.08034	7.6
159.11662	11.5
160.05191	3.2
160.08862	1.8
161.05951	3.8
161.07117	4.5
161.09595	5.0
161.13245	7.5
162.05493	2.0
171.05542	3.3
171.11694	66.8
174.06737	2.5
174.10419	13.2
189.05193	5.8
189.06728	3.9
189.09082	9.3
189.12743	100.0
189.16374	5.1
190.12711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26202	0.2
55.01857	0.4
56.96557	1.2
57.07057	0.9
58.99855	1.2
68.98277	0.3
69.03432	0.4
69.52431	1.4
70.99848	0.4
71.01344	0.4
73.02898	0.2
77.00899	0.8
80.01196	0.2
81.03416	1.1
82.01430	1.1
82.99825	0.4
84.08126	0.7
85.01391	0.3
85.08459	0.4
88.51687	0.9
89.00884	0.8
89.50936	0.4
89.51525	0.3
91.02046	0.3
93.50851	0.3
97.01390	0.5
97.02892	0.4
98.01418	0.2
98.97585	2.7
100.02480	2.8
100.51698	0.4
101.00870	2.0
101.52428	0.2
102.00936	0.6
102.51471	0.3
103.00643	0.5
103.02441	0.5
104.02579	0.4
105.00311	0.4
107.52448	0.3
109.52170	0.6
110.01411	2.0
110.51440	0.5
111.01290	0.3
111.02927	0.3
112.51656	0.4
113.00871	0.7
115.00666	0.3
115.02443	1.6
116.98624	2.3
117.00407	0.3
118.01128	0.4
118.03507	0.7
118.50417	0.3
119.00352	0.3
119.01122	0.5
119.01926	5.6
120.01263	0.3
120.01995	2.0
121.01571	0.9
121.52186	2.4
122.02221	0.8
122.52058	0.3
123.00301	0.4
125.51663	0.2
127.02454	0.5
128.01027	0.3
128.01973	0.9
128.51094	0.5
129.00354	0.3
129.03976	1.1
130.01149	0.5
130.52699	1.1
130.59120	0.2
131.00298	0.2
131.01915	1.8
132.00854	1.0
132.01878	0.3
132.50929	0.4
133.03481	0.5
134.51100	0.3
134.99710	1.3
135.01260	0.2
135.02843	0.3
135.51921	0.4
135.57112	0.3
137.02943	0.5
137.51671	0.7
138.03069	0.4
139.02463	2.1
139.50888	1.2
140.00819	0.9
140.99287	0.2
141.03952	0.6
142.03522	1.4
143.01895	0.4
143.51659	0.4
144.00780	0.3
144.01816	0.4
144.05077	0.3
145.03467	1.3
146.00607	0.5
146.99646	0.4
147.04977	0.4
148.51450	0.7
149.00987	1.6
151.00713	0.3
151.01767	0.6
151.51622	1.0
153.01401	0.3
155.00974	0.3
156.01344	0.5
157.03484	6.6
157.51390	0.5
159.01399	0.6
160.52109	0.4
161.02979	0.4
162.03036	0.5
162.99429	0.5
166.52014	0.3
167.01917	11.3
167.05521	0.3
167.59744	0.4
168.05035	0.6
173.02966	0.4
175.04498	0.8
176.01534	0.4
177.00951	1.0
178.01073	0.7
179.10458	0.7
180.05013	0.3
185.02965	100.0
186.03108	2.5
187.01466	0.3
187.03267	0.5
190.03568	0.9
199.04582	0.7
201.00966	0.6
203.04012	16.3
204.04167	0.3
205.00366	0.4
208.04575	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	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.60155	0.3
60.69711	0.2
66.92160	0.2
69.38258	0.2
70.27010	0.7
80.96455	0.2
89.03907	1.1
116.04980	3.3
119.36145	0.2
136.86113	0.2
144.04434	1.8
144.08101	0.2
162.05504	100.0
163.05838	0.9
164.05928	0.2
179.19302	0.2
190.04991	32.2
191.05391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99069	0.7
52.08842	0.4
55.05508	0.8
56.96546	0.7
57.07079	24.2
59.98865	0.4
59.99110	4.1
62.99066	0.5
64.40459	0.4
64.53967	0.3
67.05506	0.4
69.03417	0.5
69.65034	2.4
70.21886	0.3
73.02913	0.6
76.72800	0.3
78.00159	39.3
79.05500	0.8
81.07065	0.6
84.04510	0.4
84.08132	0.5
86.09717	9.0
88.02210	0.5
91.05461	1.5
92.01701	0.9
93.07045	0.7
95.08567	0.5
98.21460	0.8
102.04678	0.5
103.05459	1.4
105.03415	0.4
105.07022	1.1
107.08605	0.6
107.21199	0.4
115.05478	0.4
116.05293	0.7
117.07037	1.7
118.06550	4.4
120.08881	0.5
121.10148	0.6
123.95952	0.4
130.04231	0.5
130.06535	16.8
131.04944	1.4
131.07220	0.4
132.08095	0.8
133.10123	0.8
134.06361	44.8
134.10439	0.7
135.08058	0.6
143.07314	0.9
144.08090	13.2
145.06517	0.4
145.10120	0.7
146.06036	0.8
147.04379	1.4
148.05063	0.4
148.07910	3.6
149.02328	1.4
159.05023	0.5
162.05464	2.6
163.07507	0.6
172.07556	3.0
175.03922	1.1
176.04756	0.9
190.06418	2.2
190.09013	2.2
190.12617	100.0
191.07021	1.5
191.10686	0.8
191.12874	1.0
191.14381	0.8
201.44046	0.4
205.68695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0816
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
55.01851	1.0
55.91845	0.5
56.15525	0.5
56.96566	3.5
57.03409	2.1
61.02900	1.4
62.06078	0.6
68.98249	0.6
69.03398	2.2
70.06557	0.6
71.02794	1.2
73.02917	2.7
74.06066	1.0
79.05482	1.0
81.03432	0.8
83.04941	0.5
85.02917	3.5
91.05459	2.6
92.04974	0.8
97.02331	0.7
97.02886	2.2
98.09669	0.8
98.97112	0.5
98.97597	5.7
100.02463	1.2
101.00856	1.7
103.05452	0.7
106.06553	3.6
107.04952	0.8
110.01278	0.6
110.49406	0.5
110.97600	2.9
115.02383	0.8
116.98592	2.0
117.05744	1.0
118.05910	0.6
118.06563	5.7
118.08643	1.1
119.01824	3.2
120.04442	1.0
121.07661	0.8
122.06016	0.7
128.01207	0.6
128.02264	1.2
128.04999	1.4
128.98576	1.5
131.04906	0.7
133.01590	0.6
134.06024	15.4
135.05540	2.5
143.01868	1.1
144.04448	0.7
144.99895	0.9
145.03477	3.3
145.07611	3.3
146.06010	21.2
146.99648	0.7
148.03946	3.5
149.01222	1.1
149.07085	1.5
155.06039	13.0
155.07286	0.9
156.06833	8.2
158.99709	0.9
161.02962	0.8
162.05507	100.0
163.04555	0.7
163.05859	3.6
163.07310	0.6
163.08723	1.7
168.05066	1.3
170.99640	1.1
172.06323	3.3
173.02983	1.2
173.07112	26.0
174.05510	20.9
174.14771	0.8
177.00783	1.1
185.03078	0.8
186.03133	0.7
189.00743	0.8
191.08179	27.1
191.14386	2.7
192.12360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	10476-41-2
Peak:m/z	Relative Intensity
56.96576	0.8
65.03948	0.4
71.32838	0.4
71.33176	0.5
73.02917	0.4
79.05488	0.8
85.02905	0.8
91.05491	1.2
92.61546	0.3
98.97584	1.2
106.06554	3.5
110.01328	0.4
110.97579	0.8
117.05792	0.9
118.06544	4.2
118.07226	0.4
128.98596	0.7
132.04420	0.6
134.06018	15.7
144.04436	0.4
145.07610	0.8
146.06012	19.6
155.06036	2.4
156.06786	1.2
156.79427	0.3
162.05504	100.0
163.05899	0.8
163.65167	0.3
172.06340	1.7
173.07114	19.3
174.05515	20.7
191.08159	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	1.8
55.05509	6.6
56.96568	2.5
57.07067	2.6
59.04991	1.6
64.77554	1.2
65.03928	2.4
67.05165	1.7
67.05500	24.3
69.03436	6.7
69.07073	11.1
70.76620	2.2
71.04993	23.2
77.03929	1.3
79.05498	16.3
81.07055	14.5
83.04975	5.4
83.08614	4.1
85.06553	9.3
90.54401	1.2
91.04951	2.0
91.05479	25.2
93.07048	23.6
95.04966	11.1
95.08601	16.4
97.06533	7.9
99.08061	1.6
102.04681	3.5
103.04856	2.2
103.05468	20.6
105.03379	2.9
105.05954	1.4
105.07029	46.8
107.04943	5.4
107.08595	53.0
109.05786	1.3
109.06527	20.3
109.10158	65.9
111.08046	1.5
115.05465	3.0
116.06184	1.6
117.07014	9.2
118.04173	8.8
118.06525	2.4
119.04892	3.1
119.08571	19.4
120.05698	1.9
121.06512	10.9
121.10145	44.9
123.08072	19.3
123.11672	1.6
129.06993	4.2
130.04129	5.5
130.07835	1.9
131.04964	16.3
131.08574	48.7
131.73894	1.6
133.02823	2.8
133.06494	3.3
133.07509	1.5
133.10132	51.2
134.05989	5.2
135.08051	55.4
135.11652	7.9
143.08543	8.8
144.09322	1.5
145.06445	3.2
145.10129	21.9
146.03572	1.9
146.05975	6.4
147.04379	2.8
147.08008	2.4
147.11691	18.8
147.62146	1.2
148.05199	10.2
148.08835	2.0
149.05930	1.4
149.09612	16.5
149.13268	15.1
155.06084	1.4
158.10902	13.5
161.09624	2.1
162.05511	24.7
163.06245	2.1
163.07564	15.6
163.11185	4.5
163.14832	4.2
171.11633	1.3
173.05875	1.6
173.07144	4.2
173.09558	3.3
173.13263	52.9
174.05499	6.7
176.04703	7.3
176.08340	2.5
176.12000	2.0
191.03403	3.6
191.06955	19.9
191.08481	1.9
191.10680	12.5
191.14304	100.0
191.17964	3.8
203.45932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03951	2.2
55.01863	2.4
55.05507	6.3
56.96574	10.5
57.03427	4.9
57.07058	1.2
57.90500	1.0
59.04998	2.7
59.72122	1.1
65.03943	2.2
67.05510	10.7
69.03439	6.1
69.07071	14.5
71.04278	1.7
71.04595	1.8
71.05001	7.4
73.02911	2.0
73.78517	1.2
79.05496	13.5
81.03417	1.6
81.07060	13.1
83.04973	4.7
83.08615	4.0
85.02893	3.7
85.06538	4.9
91.04960	1.9
91.05488	29.0
93.07041	18.2
95.04978	22.3
95.08618	12.2
97.02879	2.1
97.06528	7.2
98.97587	4.5
103.05484	6.9
105.07034	49.4
106.06577	1.7
107.04955	2.7
107.08601	33.0
109.06518	9.9
109.10181	10.4
110.69572	1.1
111.08127	2.0
115.05463	3.6
116.06227	3.5
117.07030	11.0
118.04125	1.8
118.06546	1.3
118.07789	1.2
119.08582	25.1
121.06525	5.9
121.10147	18.4
122.05975	1.8
123.08073	6.3
123.11641	1.6
129.06979	6.4
129.73978	1.2
130.07747	4.1
130.08609	1.2
131.04935	4.0
131.08574	76.8
133.06491	2.1
133.10136	100.0
134.06009	3.6
135.08058	23.3
135.11653	4.5
140.07031	5.3
143.08566	9.3
144.09326	3.5
145.06435	2.5
145.10133	33.7
146.06055	8.0
147.08049	2.3
147.11693	16.1
148.05263	2.7
148.08742	1.9
149.05891	1.7
149.09616	14.4
149.13261	22.8
158.10944	14.9
160.05054	2.6
162.05513	32.6
162.06898	1.6
163.07553	4.1
163.11201	4.8
163.14812	2.7
173.07227	5.5
173.09657	2.8
173.13268	55.0
174.05531	7.2
176.04742	2.0
178.90190	1.0
179.54491	1.8
188.54933	4.2
191.06728	6.1
191.08344	3.3
191.10683	10.8
191.14308	56.6
191.16035	2.9
196.02866	4.3
202.85460	1.1
214.03864	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	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03934	2.6
55.05511	7.9
57.07062	2.8
67.05511	9.4
69.03426	13.9
69.07067	13.5
70.73852	3.9
70.74194	2.2
78.44040	1.7
79.05496	13.6
81.07050	16.7
83.04978	7.1
83.08607	3.5
85.06542	3.2
88.59350	1.5
91.05475	14.9
93.07041	19.8
95.04977	13.7
95.05508	2.5
95.08620	19.6
97.06538	7.7
103.05453	7.7
105.07033	20.9
107.04974	4.5
107.08598	42.8
109.06530	8.8
109.10154	4.2
111.08070	2.2
117.07011	3.2
119.08595	12.7
121.06506	16.6
121.10146	33.3
123.08073	7.9
130.04176	2.4
131.04958	4.4
131.08559	22.4
133.06509	2.4
133.10143	18.7
134.06050	4.1
135.08052	16.3
135.11674	9.0
137.09587	1.9
143.08569	5.9
145.10130	9.9
146.06010	4.8
147.11710	21.0
148.05185	4.6
148.08835	5.6
149.09624	80.8
149.13271	12.1
155.14320	1.8
158.10930	5.9
161.09660	2.5
162.05487	17.3
163.07594	3.9
163.14851	9.8
173.07155	2.1
173.13284	28.0
174.05493	4.0
191.06810	7.9
191.14325	100.0
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03922	2.3
55.01858	1.9
55.05507	8.9
57.07068	2.6
67.05502	8.4
69.03429	10.2
69.07069	14.6
70.38464	5.0
70.38841	3.2
71.04986	4.6
79.05492	13.3
81.07064	18.9
83.04973	11.8
83.08596	5.2
85.06535	3.9
91.05480	18.9
93.07050	26.9
93.56607	1.7
95.04995	9.1
95.08611	29.7
97.06546	12.6
98.21372	1.8
103.05480	8.5
105.07035	33.1
107.04965	13.9
107.08604	56.9
109.06524	19.5
109.10158	6.6
111.08114	4.1
116.06207	2.2
117.07021	6.2
118.04158	1.8
119.08580	18.3
121.06516	33.7
121.10152	50.8
123.08070	14.5
123.11675	1.7
129.07008	3.1
130.04153	1.9
130.07831	2.6
131.04938	5.1
131.08578	38.7
133.06514	3.3
133.10135	61.7
134.06015	1.8
135.08055	21.3
135.11685	9.8
137.09665	2.2
143.08592	8.6
144.09348	3.3
145.10141	16.2
146.05980	2.4
147.04399	1.9
147.11688	17.8
148.05183	5.1
149.09618	31.4
149.13289	17.0
158.10907	11.2
162.05492	11.5
163.07509	4.0
163.11212	5.2
163.14813	15.7
171.11664	1.9
173.07185	2.1
173.13268	46.2
174.05542	2.6
176.11961	2.0
191.07034	5.6
191.14313	100.0
196.09096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
53.30529	0.5
55.01875	1.8
55.05519	4.5
56.96569	10.8
57.03448	2.7
57.07070	1.4
58.06597	0.9
59.05018	0.6
61.02919	1.4
65.03960	1.6
67.05508	7.0
69.03435	5.4
69.07073	6.4
69.89952	1.3
69.90344	1.7
71.04996	3.0
73.02928	1.7
74.97632	0.9
76.62125	0.6
77.03961	0.6
79.05499	9.8
81.03422	1.7
81.07060	9.7
83.04963	3.3
83.08633	3.3
85.02916	4.3
85.06560	4.1
86.09723	2.3
87.04520	1.0
91.05486	28.7
93.07046	11.8
95.04970	9.4
95.08604	7.6
95.17875	0.6
97.02904	2.9
97.06530	3.7
98.97580	3.8
102.04713	1.4
103.05476	9.2
105.03366	0.8
105.07035	32.4
106.06574	2.0
107.04955	3.9
107.08598	22.0
109.02901	0.7
109.06519	3.8
109.10162	5.9
110.07206	1.2
110.97572	1.2
111.08115	0.6
115.05479	4.4
116.06235	5.5
116.98637	1.9
117.03409	0.6
117.05814	1.0
117.06121	0.6
117.07027	13.3
118.04184	2.1
118.06571	2.2
119.04970	0.7
119.06100	0.7
119.08590	11.8
119.09434	0.7
120.08073	0.8
121.06525	5.9
121.10151	13.5
122.06058	1.0
123.08071	3.0
127.03921	0.9
128.06239	1.2
128.52914	1.0
128.98616	1.9
129.07002	6.9
130.04173	1.2
130.07791	5.6
131.04953	6.8
131.08574	100.0
132.08862	0.9
133.02869	1.7
133.06456	2.3
133.10136	44.9
134.06032	9.4
134.99652	0.7
135.04445	1.3
135.08057	11.6
135.11697	3.9
136.06227	3.6
140.07076	5.6
143.08557	5.7
144.09346	1.3
145.06493	2.8
145.07683	1.7
145.10129	44.0
146.03566	0.7
146.06007	16.5
147.04471	0.7
147.08073	2.8
147.11699	7.3
148.05171	3.4
148.08829	0.8
148.97505	0.7
149.06009	2.1
149.09633	12.9
149.13268	8.7
150.96918	0.7
155.06042	1.9
155.08641	0.9
156.06790	1.0
157.53151	0.7
158.10904	7.3
159.04443	0.8
160.05084	15.4
161.09642	0.6
162.05511	59.9
163.03873	1.0
163.05939	1.3
163.07549	5.0
163.08670	0.8
163.11208	5.3
163.14896	2.0
172.06308	1.5
173.05896	0.9
173.07144	12.9
173.09505	3.5
173.13275	23.2
173.47731	0.6
174.05504	13.6
176.04718	4.2
179.54462	4.0
188.54955	3.9
191.03387	2.3
191.07005	7.7
191.08249	6.2
191.10670	20.9
191.14305	32.7
192.07816	3.0
196.02769	4.9
214.03873	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	193.0861
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
53.03641	0.2
53.03964	0.5
54.83669	0.2
55.01879	0.7
55.05511	2.7
55.21235	0.2
57.03440	7.8
57.07072	0.6
59.05009	0.4
65.03944	0.8
67.05161	0.4
67.05509	4.8
69.03429	0.8
69.07068	2.2
71.04987	0.4
71.08646	0.2
71.51398	0.5
71.51734	0.3
79.05493	2.7
81.03423	2.7
81.07070	3.1
83.04984	1.2
83.08630	1.4
85.06533	2.5
90.04697	0.3
91.05485	100.0
92.05837	0.9
93.07048	3.1
95.04972	1.8
95.08611	4.9
97.06544	0.7
97.10165	0.5
98.21412	0.2
99.08099	9.4
101.03636	0.3
103.05486	1.0
105.07037	9.4
107.04956	0.3
107.08600	5.6
109.06516	1.6
109.10160	9.5
111.08111	0.8
115.05477	1.5
117.07063	0.4
118.04177	0.9
119.08583	4.8
121.06549	0.3
121.10156	3.2
123.08081	2.7
123.11715	1.6
125.09664	0.3
125.73783	0.3
129.07085	0.2
131.04904	0.4
131.08559	0.8
133.02846	0.5
133.06500	6.3
133.10139	9.3
135.11694	6.2
137.05946	0.7
137.09618	3.0
140.31277	0.3
143.06023	0.6
147.11713	1.0
149.02374	0.8
149.13272	1.0
151.11191	1.2
151.14799	0.8
161.05984	6.0
161.07230	0.5
165.16467	0.5
175.11107	0.5
175.14832	4.0
178.02586	0.5
193.04922	1.6
193.08615	7.3
193.10284	0.5
193.12218	1.0
193.15887	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02380	0.8
53.03948	3.6
55.01871	6.0
55.05517	7.2
56.96562	0.7
57.03425	2.0
57.07069	1.0
59.05026	0.5
64.57520	0.4
65.03943	3.7
66.04724	0.8
67.05505	19.6
69.03422	2.3
69.07062	3.2
70.83928	0.6
70.84266	1.1
71.01345	0.7
71.04979	1.7
77.03937	1.4
79.05494	24.9
81.03418	68.6
81.07058	11.3
83.04975	4.5
83.08627	8.4
85.06541	1.3
87.07965	0.4
89.03879	0.8
90.04688	1.3
91.05480	20.2
93.07047	8.6
95.04971	29.7
95.08611	4.8
97.02889	1.4
97.06533	1.6
97.10165	0.6
98.97578	0.5
99.08096	3.1
103.05473	15.0
104.06259	1.5
105.03371	1.2
105.07032	100.0
106.07364	1.3
107.04957	7.3
107.08598	5.6
108.04509	0.4
109.02911	0.6
109.06495	3.2
109.10161	5.6
111.04432	1.6
111.08102	2.0
114.43219	0.4
115.05457	21.2
117.07014	1.3
118.03360	0.7
118.04160	10.3
119.04928	2.0
119.07781	0.7
119.08585	10.7
121.06509	2.2
121.10137	3.6
123.04442	0.9
123.08062	2.1
129.07005	5.8
130.04146	0.6
131.04930	3.4
131.08568	5.5
132.05687	1.2
133.02921	3.0
133.06493	83.4
133.10127	7.2
134.06818	1.0
135.04465	0.7
135.08055	1.3
135.11694	3.9
136.07639	0.5
137.05980	2.0
137.09625	3.5
142.07780	1.7
143.04913	1.5
143.06035	6.9
145.10030	0.7
147.04398	1.3
147.08032	3.5
147.11687	4.7
149.02336	2.0
149.05998	0.7
149.09616	3.5
149.13220	0.9
150.03075	0.7
150.06783	0.6
151.03897	0.4
151.07529	0.6
151.11182	1.3
151.14865	0.6
157.10136	3.8
161.05983	80.8
162.06351	1.5
165.05507	0.9
165.09113	1.1
165.12759	1.0
175.07582	0.5
175.11211	4.5
175.14769	4.1
176.07108	0.6
178.02554	2.6
178.06238	1.0
178.07716	0.7
193.04990	7.1
193.06853	1.0
193.08592	14.6
193.10165	0.5
193.12225	8.7
193.14078	0.8
193.15855	6.3
205.43130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01580	0.5
51.02396	0.9
53.03953	3.8
53.09627	0.3
55.01876	5.3
55.05514	8.7
56.96567	0.7
57.03441	2.7
57.07072	1.1
65.03944	2.7
66.04728	1.1
67.05508	27.1
69.03430	3.3
69.07070	3.3
71.04992	1.9
71.60960	0.6
73.02940	0.5
77.03942	1.1
78.04727	0.4
79.05497	30.3
81.03421	100.0
81.07057	14.3
81.07795	0.4
82.03757	0.4
83.04987	4.7
83.08621	10.7
85.02898	0.6
85.06542	2.3
89.03918	0.4
89.11993	0.4
90.04688	1.0
91.05485	25.4
92.05791	0.4
92.06316	0.5
93.07049	11.9
94.07337	0.4
95.04974	39.5
95.08614	7.4
97.02891	1.7
97.06549	1.6
97.10165	1.1
99.04465	0.4
99.08092	5.4
102.04716	0.4
103.05477	13.3
104.06252	1.0
105.03407	0.8
105.04527	1.0
105.07035	81.6
106.07345	0.8
107.04961	9.4
107.08601	7.9
109.06525	4.6
109.10154	8.0
111.04461	2.5
111.08075	2.7
115.05461	15.3
116.06302	0.5
117.07019	2.2
118.04163	8.6
119.04981	1.9
119.08586	13.4
120.05730	0.6
121.02946	0.5
121.06521	2.7
121.10146	5.1
122.03661	0.7
122.07275	0.5
123.04446	1.1
123.08071	2.7
123.11725	1.8
125.05990	0.4
125.09602	0.5
128.06247	0.6
129.07014	7.8
130.04134	0.4
131.04927	2.4
131.08577	6.6
132.05733	1.4
133.02911	2.6
133.06500	62.5
133.10130	11.2
134.06926	0.5
135.04434	0.8
135.08086	1.9
135.11690	5.6
137.06006	3.3
137.09608	4.8
139.68394	0.3
142.07800	2.9
143.04909	0.9
143.06035	4.7
145.10143	0.9
147.04427	0.9
147.08047	4.2
147.11681	7.1
148.05161	0.6
148.07489	0.4
149.02333	0.8
149.05965	0.9
149.09613	3.7
149.13271	1.1
150.03067	0.5
150.06801	1.9
151.03915	0.5
151.07600	0.8
151.11217	1.4
151.14789	0.4
157.10135	5.6
160.05124	0.4
161.05988	56.6
162.06367	0.8
165.05473	0.8
165.09120	4.4
165.12741	1.7
165.16516	0.5
175.03896	0.4
175.07541	0.4
175.11223	5.7
175.14838	6.0
176.06992	0.4
178.02628	1.5
178.06317	0.8
193.05000	5.3
193.06790	0.8
193.08618	14.6
193.10114	0.6
193.12230	11.0
193.15894	8.8
212.27480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02376	0.6
53.03948	2.2
53.75983	0.4
55.01876	5.0
55.05511	8.1
56.96571	3.5
57.03438	6.1
57.07077	2.1
59.05001	4.3
61.02911	0.6
63.02374	0.5
65.03934	2.8
66.04730	0.7
67.05154	0.9
67.05504	11.8
67.64890	0.4
68.99797	1.3
69.03429	4.9
69.07072	6.0
71.04983	3.5
71.22532	0.5
71.59085	0.5
72.08124	0.5
72.74502	0.4
73.02945	0.5
77.03931	1.3
78.04700	0.5
79.05495	22.1
80.04993	0.5
81.03423	3.9
81.07057	27.1
83.04532	0.9
83.04986	9.3
83.08624	2.2
84.96031	0.7
85.02907	1.5
85.06554	5.0
87.04476	0.5
89.03928	0.4
90.04691	1.1
91.05482	27.8
93.07052	11.4
93.42664	0.4
94.04202	0.7
95.04971	9.8
95.08607	11.4
96.05717	0.5
97.02914	2.6
97.06542	1.6
98.97591	6.1
99.04478	0.7
99.08092	10.8
102.04719	0.5
103.05475	13.4
104.06255	1.7
105.03393	1.7
105.07031	100.0
106.07372	0.7
107.04960	4.0
107.08601	15.7
108.21164	0.4
108.50107	0.4
109.02882	0.7
109.06521	36.0
109.10156	13.5
110.07316	1.1
110.97594	1.0
111.04472	0.5
111.08081	2.1
113.05995	0.5
113.22163	0.4
115.05460	17.7
115.43359	0.4
116.98643	2.7
117.07047	2.1
118.04165	10.0
119.04945	2.3
119.08582	29.3
121.02882	0.8
121.06520	4.1
121.07298	0.7
121.10150	5.4
122.03673	0.8
122.34176	0.4
123.04421	1.4
123.08079	9.0
123.11710	4.7
125.05997	0.9
128.02307	0.4
128.98615	1.6
129.06993	2.0
130.06573	0.6
131.04933	4.0
131.08562	6.9
132.05717	1.5
133.02859	8.6
133.06497	71.2
133.10130	66.0
134.03656	0.6
134.06834	0.5
134.10487	0.5
134.99654	1.4
135.08051	9.3
135.10683	0.5
135.11688	8.3
136.07588	0.7
137.05984	7.0
137.08633	0.8
137.09618	11.9
137.58624	0.5
138.10373	0.4
140.06061	0.5
142.07794	2.1
143.04921	1.5
143.06049	4.4
145.06526	3.0
145.10133	1.3
146.03592	0.8
146.06027	0.7
146.07246	1.5
146.97424	1.0
146.99651	1.3
147.04404	2.1
147.08054	4.4
147.11688	16.8
148.07545	1.3
149.02336	1.0
149.05966	1.4
149.09610	1.9
149.13275	1.0
150.03117	1.3
150.10376	0.6
151.03877	1.0
151.07533	1.5
151.11188	13.9
151.14857	0.7
157.10115	2.4
158.99658	1.8
159.08029	0.5
160.05199	0.9
160.08836	10.6
161.02377	2.1
161.05984	68.5
162.06474	0.8
165.05493	2.5
165.09131	0.7
165.12730	2.5
165.16373	0.7
167.10809	0.5
175.03865	1.1
175.07469	1.0
175.11185	37.0
175.14799	7.7
176.07077	1.5
177.00734	1.6
177.05498	0.5
178.02582	3.6
178.06212	1.7
179.03336	2.5
182.04953	0.5
193.03334	0.6
193.04967	16.9
193.06961	0.8
193.08592	21.7
193.12239	40.8
193.15883	15.2
194.05658	0.7
194.08159	0.9
200.02388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02372	1.6
53.03950	7.8
54.85150	0.7
55.01870	4.6
55.05516	8.8
56.96569	3.8
57.03436	2.8
57.07078	0.8
59.05017	1.2
62.11181	0.7
65.03944	5.0
66.04740	0.8
67.05161	1.4
67.05511	27.2
69.03448	3.2
69.07069	6.2
69.96137	1.6
69.96539	1.9
71.01369	0.7
71.05000	7.0
77.03915	1.1
78.04716	1.2
79.05499	50.7
81.03424	51.8
81.07062	22.4
81.07462	0.4
82.17654	0.7
83.01357	0.7
83.04987	6.0
83.08624	6.9
85.02904	0.8
85.06550	2.3
87.62634	0.7
90.04729	1.3
91.05486	71.2
92.06320	0.9
93.07052	61.2
94.34948	0.6
95.04977	32.4
95.08605	6.7
97.02898	1.3
97.06531	2.2
98.97533	0.7
99.08094	2.8
103.05481	14.1
104.06297	1.4
105.03412	1.3
105.04562	3.1
105.07038	100.0
106.07333	1.1
107.04956	9.9
107.08606	7.5
109.06529	7.6
109.10165	6.0
110.97578	1.6
111.08083	2.2
113.06015	1.8
115.05465	15.7
117.07051	2.9
118.04165	9.9
119.04952	3.0
119.08588	20.5
121.06549	3.6
121.10143	4.7
122.07293	1.6
123.04411	1.9
123.08070	3.6
123.11714	0.9
127.07594	0.8
128.06224	1.3
128.98613	2.8
129.07011	12.9
131.04938	2.9
131.08574	15.4
132.05750	1.8
133.02878	3.3
133.06502	58.8
133.10136	57.1
133.33344	0.6
134.07181	0.5
134.10545	0.9
135.04442	1.5
135.08072	1.9
135.11714	3.5
137.05997	4.9
137.09644	2.7
138.10370	0.6
142.07811	3.8
143.05032	1.0
143.06033	3.2
145.10103	0.8
146.99672	1.7
147.04391	0.8
147.08051	6.3
147.11687	13.6
148.05244	0.7
149.02357	2.7
149.06009	1.6
149.09654	2.3
150.06818	4.1
151.07565	1.6
151.11160	2.0
157.10149	13.7
161.05994	47.3
162.06371	0.9
165.05447	1.6
165.09109	9.7
165.12767	1.6
165.49844	0.7
175.07483	1.1
175.11201	12.2
175.14818	4.6
178.02658	2.6
178.06216	1.1
178.07799	1.9
183.25899	0.6
189.04358	0.8
193.04945	9.8
193.08603	15.9
193.10213	2.6
193.12209	15.5
193.15895	7.0
194.15471	1.1
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
51.02372	0.6
53.00327	0.4
53.03947	4.5
55.01873	4.7
55.05250	0.5
55.05513	9.7
56.96555	0.5
57.03440	2.6
57.07095	0.5
65.03941	3.1
66.04718	0.3
67.05505	26.0
69.03432	2.7
69.07063	3.4
71.01346	0.6
71.05001	1.8
77.03933	0.4
79.05492	23.6
81.03418	100.0
81.07056	13.8
83.04987	4.9
83.08623	12.3
85.02886	0.5
85.06537	2.0
89.03926	0.6
90.04674	0.4
91.05480	21.0
93.07049	9.8
93.07615	0.7
94.04198	0.4
95.04971	38.3
95.08599	6.1
97.02907	2.2
97.06532	1.8
97.10170	0.8
98.20670	0.8
98.97634	0.6
99.04483	0.3
99.08095	7.9
103.05470	8.8
103.06126	0.7
103.39347	0.3
104.06280	0.7
105.03406	0.7
105.07031	58.7
106.07312	0.5
107.04956	8.9
107.08597	5.4
109.06515	3.8
109.10158	7.6
111.04439	1.5
111.08081	2.8
115.05457	12.1
117.07018	1.5
118.04175	5.3
119.04943	1.4
119.08584	11.8
119.09447	0.6
121.06512	2.4
121.10136	5.0
122.03664	0.6
123.04429	1.1
123.08086	2.5
123.11698	1.4
124.18724	0.3
125.09623	0.3
128.06235	0.6
129.07011	7.9
131.04913	2.1
131.08574	6.5
132.05713	1.1
133.02858	3.2
133.06493	45.8
133.10126	8.3
135.04367	0.7
135.08073	0.9
135.11696	4.6
137.05977	1.6
137.09596	3.8
141.06886	0.4
142.07776	2.8
143.04979	0.7
143.06024	4.1
145.10104	0.6
147.04384	0.6
147.08054	4.2
147.11690	4.8
149.02336	1.4
149.06023	0.5
149.09641	4.2
149.13217	1.0
150.03131	0.8
150.06726	0.8
151.11182	1.4
151.14861	0.8
157.10144	5.6
160.08830	0.4
161.05980	38.0
165.05444	0.5
165.09152	1.2
165.12741	0.8
165.16560	0.4
175.11183	6.3
175.14799	2.6
176.07074	0.4
178.02617	2.9
178.04472	0.5
178.06122	0.7
193.04988	9.7
193.06883	0.8
193.08597	8.8
193.12239	12.3
193.15904	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	Ibufenac
Peak:m/z	Relative Intensity
51.02368	0.7
53.03946	6.4
55.01878	6.4
55.05513	11.3
56.60150	0.7
56.96572	1.6
57.03436	3.3
57.07066	1.3
65.03928	3.6
67.05509	31.2
69.03426	3.0
69.07065	6.3
69.56676	4.4
71.01305	0.8
71.05003	4.3
74.72324	0.7
76.10986	0.6
77.03958	1.4
78.04711	0.7
79.05498	38.1
81.03423	72.3
81.07059	22.2
82.12800	0.7
83.04997	5.0
83.08624	10.3
85.02893	1.3
85.06538	4.7
89.03915	0.8
90.04697	1.2
91.05485	54.0
93.07049	29.9
95.04975	37.6
95.08611	8.7
97.02886	1.6
97.06522	4.3
98.21449	1.4
99.08097	13.0
103.05477	12.4
104.06254	1.1
105.04501	1.6
105.07034	100.0
107.04950	8.2
107.08601	10.5
109.06523	6.6
109.10155	10.4
111.04471	2.2
111.08092	2.2
115.05466	16.0
116.06260	0.8
117.07021	2.5
118.04175	7.0
119.04966	2.1
119.07772	1.4
119.08588	23.0
121.06521	2.3
121.10145	6.7
123.04464	1.5
123.08110	4.0
123.11710	1.4
128.06171	1.1
129.07018	13.7
131.04938	3.5
131.07582	0.8
131.08577	15.2
131.09506	1.3
132.05704	1.4
133.02866	2.0
133.06500	64.9
133.10133	57.7
135.08047	1.3
135.11697	7.3
137.05983	2.7
137.09607	5.0
142.07785	2.9
143.05011	1.3
143.06030	5.6
146.07225	0.7
147.04587	0.9
147.08057	5.1
147.11694	20.9
149.02342	1.0
149.09637	13.3
150.03299	0.8
150.06841	1.6
151.07607	0.9
151.11212	1.4
157.10141	15.3
161.05989	61.2
162.06488	1.2
165.05496	1.7
165.09117	2.8
165.12801	2.4
175.11205	21.5
175.14763	5.3
178.02615	1.6
190.05008	0.7
193.04982	6.2
193.06708	1.1
193.08615	15.4
193.10353	0.9
193.12247	22.7
193.15851	12.0
213.36893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03955	7.3
54.72645	0.9
55.01876	6.6
55.05515	10.6
56.96578	5.9
57.03178	1.6
57.03443	26.4
57.07067	1.2
65.03937	3.5
67.05506	27.8
67.76109	0.8
69.03430	5.0
69.07078	5.1
70.66049	0.9
70.66393	2.8
71.04996	2.5
75.04501	0.9
77.03929	1.7
79.05045	1.9
79.05498	30.5
81.03422	79.7
81.07063	18.8
83.04990	4.7
83.08624	12.6
85.06544	2.8
87.04472	1.1
87.70280	1.0
89.10791	0.9
90.04712	1.0
91.05486	44.0
92.06263	1.2
93.07049	29.5
95.04975	39.8
95.08620	10.7
97.02911	1.1
97.06532	3.1
99.04369	0.9
99.08098	4.0
103.05471	16.0
104.06242	1.0
105.03373	1.0
105.04503	1.5
105.07035	100.0
107.04957	9.7
107.08595	9.3
109.06526	9.2
109.10170	11.2
110.97555	1.9
111.04465	1.7
111.08086	2.8
115.05465	13.8
116.06197	1.3
117.07035	4.5
118.04156	10.6
119.04929	3.3
119.08588	38.0
121.00548	1.1
121.06504	20.8
121.10130	4.4
122.03625	1.2
123.04449	2.1
123.08073	3.8
123.11697	1.1
128.98613	3.5
129.07002	9.4
131.04926	3.1
131.08577	7.9
132.05722	2.8
133.02829	3.5
133.06497	59.3
133.10132	25.6
135.04419	2.5
135.08046	4.3
135.11697	4.1
137.06006	5.2
137.09627	13.7
142.07794	3.8
143.06061	2.6
143.91556	0.9
145.06540	2.0
145.10173	2.6
146.07266	2.0
146.97380	1.2
146.99622	2.4
147.08063	9.2
147.10628	1.6
147.11708	22.8
149.02380	2.5
149.05937	1.2
149.09657	3.3
149.13310	1.2
150.06743	3.6
151.07594	0.8
151.11179	2.3
157.10162	7.8
160.08830	2.7
161.02310	1.7
161.05989	55.1
165.05553	1.7
165.09138	6.7
165.12727	1.9
175.03918	1.4
175.07542	1.4
175.11195	21.8
175.14809	5.2
178.02565	2.4
178.06270	1.3
189.04318	1.0
193.04968	10.9
193.06589	1.1
193.06943	1.4
193.08623	16.3
193.10266	2.2
193.12245	17.0
193.14174	1.4
193.15887	8.2
194.08197	1.1
194.15236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	2.9
55.01889	4.2
55.05515	8.0
56.29643	0.5
57.03444	1.5
57.07083	1.3
59.05008	3.1
65.03956	1.7
66.04726	1.0
67.05508	15.3
69.03430	1.0
69.07077	6.5
71.01372	0.6
71.04990	2.9
71.10606	1.1
77.03961	1.3
79.05497	22.2
81.03424	13.9
81.07062	33.2
83.04993	3.2
83.08621	3.7
85.06544	4.3
87.04531	0.7
89.03951	0.6
90.04728	1.1
91.05486	16.1
93.07054	18.8
95.04978	8.9
95.08614	21.0
97.06519	1.4
98.06033	0.6
99.08099	3.5
103.05478	14.9
104.06271	2.0
105.03414	1.0
105.07038	100.0
106.07367	1.6
107.04955	3.2
107.08599	19.0
109.06530	13.4
109.07246	1.1
109.10165	22.4
111.04426	0.8
111.08099	2.5
115.05464	17.4
117.07021	2.4
118.04162	9.3
119.04973	1.0
119.08587	28.0
121.06529	1.0
121.10142	8.0
123.08076	6.5
123.11719	3.1
125.06019	0.7
125.09634	0.9
129.07013	1.6
131.04936	3.7
131.08591	2.8
132.05711	2.5
133.02878	3.1
133.06502	69.0
133.10144	22.1
134.06908	1.2
135.08070	2.1
135.11705	22.6
137.06012	2.0
137.09627	12.0
137.13228	0.7
143.04990	1.1
143.06024	4.6
146.97374	0.6
147.04353	1.4
147.08034	0.9
147.11696	6.7
149.06006	1.0
149.09644	1.3
149.13289	5.2
150.03149	2.2
150.06758	1.4
151.07567	0.7
151.11151	2.8
151.14787	0.9
157.08936	0.7
157.10107	1.0
158.13644	0.7
160.05162	0.8
161.05991	68.0
162.06427	1.2
165.05383	0.9
165.09113	2.1
165.12770	0.9
165.16440	0.9
175.07567	0.9
175.11235	1.4
175.14836	29.8
176.07108	1.4
178.02585	2.1
178.06290	1.5
193.04971	9.8
193.06784	1.3
193.08611	24.4
193.12245	3.4
193.15891	29.1
200.25551	0.6
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	Pseudoionone
Peak:m/z	Relative Intensity
52.11087	1.1
53.03935	2.4
55.01885	1.1
55.05517	11.4
56.96573	2.8
57.07059	3.6
59.04995	1.4
65.03934	1.8
65.45967	1.0
67.05512	14.6
67.08531	1.0
67.40646	1.2
69.03439	1.9
69.06711	1.8
69.07071	26.8
69.41151	5.6
69.41577	3.6
71.04999	16.9
79.05500	11.3
81.03414	2.1
81.07060	25.2
83.04994	2.7
83.08617	4.2
85.06551	13.5
87.04440	1.2
91.05482	9.5
93.07045	24.7
95.04977	35.2
95.08620	22.9
97.06522	3.7
97.10170	8.2
98.06097	1.2
99.08090	3.3
103.05436	1.6
105.07037	27.2
107.04954	1.6
107.08607	34.3
109.06525	100.0
109.10165	17.7
110.97567	1.2
111.08061	6.8
111.11709	2.3
115.05428	1.6
118.04198	1.2
119.08589	29.8
121.10153	10.4
123.08065	6.5
123.11707	19.5
128.98615	1.7
129.07089	1.2
133.02885	1.3
133.06485	6.9
133.10138	25.8
135.08061	1.4
135.11700	34.4
137.06033	1.6
137.09624	15.8
145.10132	1.3
146.40489	1.2
146.99680	1.9
147.11673	5.1
149.02350	2.0
149.13278	10.3
151.11211	4.9
161.05960	5.7
166.08656	2.0
173.04942	1.2
175.14848	42.8
176.15123	1.2
178.02708	1.8
193.04938	7.0
193.08533	2.8
193.12234	4.8
193.15894	57.9
194.08195	1.3
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	Pseudoionone
Peak:m/z	Relative Intensity
50.61659	0.8
53.03949	2.4
55.05256	1.2
55.05512	11.5
55.34254	0.8
57.03437	8.0
57.07063	3.3
59.04992	2.1
59.47593	0.9
65.03941	1.5
67.05508	21.5
69.03417	2.3
69.07072	6.9
69.31753	2.0
69.32156	6.8
71.04982	1.1
79.05500	9.8
81.03419	2.3
81.07059	13.6
83.04973	4.5
83.08617	4.3
85.06544	15.5
91.05483	100.0
93.07050	16.0
95.04962	4.1
95.08619	16.5
97.10145	1.1
98.20671	1.8
99.08098	61.9
101.02477	1.0
103.05498	1.3
105.07030	15.9
107.08606	19.0
109.06504	6.8
109.10160	47.5
111.08076	1.8
115.05467	1.8
118.04160	1.7
119.08578	16.0
121.10167	10.5
123.08081	7.9
123.11717	5.7
128.78204	1.0
129.07057	1.0
131.08569	1.1
133.02853	2.3
133.06493	8.0
133.09215	1.6
133.10127	18.3
135.11696	23.6
137.05943	1.5
137.09615	18.5
138.10455	1.6
147.11693	3.7
149.13248	2.1
151.11192	5.7
151.14821	2.0
161.05998	10.6
165.16350	2.0
175.11217	1.2
175.14851	15.1
178.02612	2.8
193.04994	7.7
193.06876	1.4
193.08566	8.4
193.15886	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89831	0.8
53.03933	2.8
55.01870	1.9
55.05513	13.2
57.03443	9.1
57.07057	4.3
59.05000	3.1
65.03937	2.1
67.05162	1.6
67.05507	24.7
69.03416	3.5
69.06762	1.0
69.07076	12.2
69.36236	3.1
69.36665	5.4
71.04980	2.2
71.08637	1.2
79.05503	12.0
81.03426	5.1
81.07066	18.1
83.04993	6.0
83.08622	6.2
85.06546	15.1
91.05486	100.0
92.37843	1.0
92.63334	0.9
93.07052	18.8
95.04972	5.9
95.08614	25.0
97.06546	1.1
97.10171	1.8
99.08101	60.1
103.05450	4.5
105.07040	34.9
105.07754	1.9
107.04950	1.0
107.08598	22.2
109.06527	6.9
109.10163	53.0
111.08093	4.3
115.05479	6.0
118.04169	2.6
119.08587	20.9
121.10168	12.3
123.08079	12.4
123.11743	5.5
131.04987	1.2
131.08559	2.3
133.06494	20.9
133.10141	32.7
135.11690	30.8
137.09610	21.3
137.10384	0.8
138.10405	2.1
143.06047	1.3
145.10112	1.1
147.11659	3.4
149.02367	1.7
149.13277	3.9
149.57407	1.1
151.11211	5.9
151.14827	1.8
160.12395	1.0
161.05974	17.2
165.12666	1.2
165.16403	2.2
175.11211	1.6
175.14825	18.8
193.04985	4.7
193.08655	8.3
193.12256	3.1
193.15889	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	3.3
54.79189	0.6
55.01870	4.4
55.05512	11.3
56.96553	0.9
57.03429	1.5
57.07074	2.9
59.04996	2.5
65.03929	3.5
66.04717	1.0
67.05160	1.4
67.05504	21.7
69.03446	3.7
69.07069	5.4
69.25967	6.4
71.04987	1.6
77.03943	1.9
79.05495	24.2
81.03421	35.2
81.07060	15.4
81.07496	0.5
83.04977	5.2
83.08624	6.3
85.06550	10.4
89.03899	1.0
90.04701	1.6
91.05483	19.6
93.07047	14.4
93.38006	0.6
95.04971	18.2
95.08606	14.2
97.02914	0.9
97.06525	1.5
97.10184	0.7
98.20685	1.2
98.97579	1.3
99.08095	34.5
100.78609	0.6
102.04715	0.6
103.04781	1.0
103.05466	14.7
103.06123	1.1
104.06255	1.3
105.03381	2.3
105.07031	100.0
106.07339	1.8
107.04947	4.4
107.08597	14.0
109.06522	5.9
109.10160	29.0
110.10478	0.6
111.04462	1.4
111.08072	1.4
115.04659	1.2
115.05465	20.7
117.07055	1.7
118.04162	10.8
119.04928	1.9
119.08581	14.1
121.02871	0.9
121.06503	2.2
121.10146	8.1
122.03637	1.3
123.04421	1.5
123.08080	6.6
123.11697	3.6
128.06238	1.2
129.06990	2.6
130.04132	0.6
131.04918	3.6
131.08601	4.2
132.05708	2.2
133.02869	10.3
133.06494	76.8
133.10129	19.6
134.06908	0.8
135.08025	1.7
135.11697	16.2
137.06015	3.8
137.09622	12.6
138.10425	1.2
142.07828	1.6
143.04897	2.1
143.06065	6.7
145.10109	0.8
147.04401	1.5
147.08037	2.1
147.11688	6.1
149.02342	6.9
149.03447	1.3
149.05969	2.0
149.09615	2.2
149.13271	1.6
150.03125	1.1
150.06815	0.9
150.12822	1.2
151.07512	0.9
151.11200	4.3
157.10138	2.3
161.02396	3.1
161.05984	73.4
162.06345	1.1
165.05473	2.6
165.09082	2.8
165.12775	0.9
165.16417	1.5
175.07562	1.5
175.11211	3.9
175.14844	9.4
176.07098	1.4
176.14310	0.6
178.02612	4.4
193.04988	17.0
193.06929	1.8
193.08591	22.8
193.12260	7.1
193.15891	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03949	2.9
55.01862	2.9
55.05516	16.7
57.03441	1.5
57.07060	4.5
59.05001	2.7
65.03939	1.9
67.05505	19.0
67.06093	1.0
69.03434	9.6
69.06764	1.1
69.07072	14.9
70.24657	1.1
71.04980	5.0
71.08622	1.2
71.20364	2.4
72.93575	1.1
76.44289	1.0
78.54562	1.3
79.05119	1.3
79.05495	17.7
81.03421	6.9
81.06570	1.3
81.07059	22.2
83.04530	1.7
83.04983	18.9
83.08617	8.9
85.06555	6.8
91.05486	18.2
93.07041	14.6
95.04971	7.1
95.08609	38.8
97.06525	2.0
97.10124	1.4
99.08104	7.0
103.05482	14.2
105.07034	100.0
106.07376	2.1
107.04961	3.2
107.08602	30.9
109.06528	13.0
109.10161	53.7
111.08112	5.7
115.05460	21.5
117.07018	2.2
118.04170	11.5
119.08583	37.1
121.10155	18.8
123.08084	30.2
123.11691	7.2
125.09622	2.2
131.04913	2.6
131.08569	2.3
133.02858	5.8
133.06500	72.9
133.10126	34.1
135.11699	49.0
137.06030	2.0
137.09622	22.7
138.10391	2.7
143.04997	1.0
143.06035	5.6
147.11696	5.4
149.02351	1.3
149.05893	1.7
149.13252	9.1
150.06715	1.8
151.03900	1.5
151.07449	1.1
151.11195	8.1
151.14865	5.6
160.05235	1.1
160.12326	1.2
161.05989	77.0
162.06310	1.5
165.09132	3.4
165.12759	1.2
165.16402	2.4
167.15428	1.2
175.11322	1.6
175.14821	29.7
178.02623	2.4
193.04976	10.7
193.08603	14.2
193.12315	2.8
193.15894	54.1
197.23563	1.2
202.42848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02382	1.4
53.03936	3.0
55.01880	4.0
55.05513	13.6
56.96542	0.9
57.03216	0.9
57.03439	8.5
57.07075	3.9
57.14126	0.7
59.04999	2.0
61.40324	0.7
65.03928	3.0
66.04717	1.4
67.05505	25.1
67.86788	0.7
69.03413	3.3
69.07073	9.5
71.04980	1.3
71.25770	1.2
71.26109	1.3
72.08134	0.8
77.03906	0.9
79.05048	1.1
79.05495	20.6
81.03429	12.8
81.07059	15.0
83.04987	4.9
83.08620	5.3
85.06543	9.6
89.03916	1.0
90.04679	1.2
91.05482	97.9
92.05804	1.2
93.07047	13.4
95.04971	10.9
95.08608	26.3
97.02905	3.9
97.06568	1.3
98.97580	2.9
99.08096	22.4
103.05477	14.3
104.06281	1.0
105.03395	1.6
105.07033	100.0
106.07352	2.3
107.04951	2.6
107.08588	14.9
109.02925	0.8
109.06522	5.1
109.10159	41.0
111.08087	2.3
115.05458	17.0
116.98578	0.9
117.07035	1.6
118.04170	11.1
119.04925	2.7
119.08582	49.0
121.06534	1.4
121.10146	7.5
122.03667	1.0
123.04377	1.3
123.08081	5.4
123.11668	4.1
129.04417	0.8
129.05382	0.8
129.06976	1.4
131.04922	3.1
131.08565	6.5
132.05667	2.5
133.02910	4.5
133.06494	75.3
133.10130	79.6
134.06786	1.3
134.10881	0.9
135.04536	0.8
135.07982	1.6
135.10674	1.2
135.11688	20.4
136.07574	3.2
137.05977	2.6
137.08641	1.6
137.09619	24.1
143.06049	5.6
145.10120	3.6
146.03595	1.3
147.04428	1.9
147.08031	1.4
147.11690	19.1
149.02362	1.6
149.05978	1.1
149.13298	4.4
151.11192	3.7
151.14819	3.3
157.10136	2.7
159.11655	1.3
160.12468	3.0
161.05994	73.3
162.06374	1.5
165.05481	2.0
175.03867	1.3
175.11285	4.3
175.14830	63.9
176.07062	0.9
176.15131	1.9
178.02612	3.1
178.06259	3.2
193.04933	10.1
193.08601	19.9
193.10300	1.6
193.12265	6.9
193.15889	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02382	0.8
53.03947	2.1
55.01876	2.2
55.05502	2.1
56.05036	1.1
56.96566	1.3
57.03434	1.7
57.07079	0.6
63.39597	0.5
65.03940	2.3
67.05508	2.5
69.03436	1.9
69.04557	4.8
69.07069	2.0
69.44994	0.7
71.04992	1.0
71.60916	1.2
77.03930	1.0
78.04715	2.2
79.05499	14.0
81.03411	2.3
81.07058	4.5
83.04986	1.9
83.06132	3.0
83.08613	0.6
89.03920	25.0
89.06018	0.7
91.05487	11.9
92.05833	0.9
93.03390	2.6
93.07050	6.4
95.04964	5.7
95.08597	2.7
97.06523	1.7
98.97589	1.5
103.05475	11.3
105.03377	0.8
105.07046	12.0
106.04182	2.7
107.04960	81.7
107.08599	5.7
108.05276	0.6
109.02849	0.6
109.03988	1.3
109.06512	2.7
109.10147	1.1
110.07165	14.1
111.04453	2.4
111.05545	0.8
111.08095	1.6
113.63583	0.7
115.05452	5.4
116.98634	1.4
117.03387	49.5
117.07000	2.4
118.88051	0.6
119.04945	1.2
119.08593	1.1
120.05737	2.8
121.02904	0.9
121.06520	3.9
121.09238	0.6
121.10146	2.5
122.03688	0.7
123.04396	2.4
123.08118	0.7
124.05209	2.4
125.05989	3.6
127.29842	0.6
130.02693	0.6
130.96295	0.8
131.04910	1.7
131.08559	1.3
133.02850	1.5
133.06519	0.7
133.10159	1.1
134.03635	6.9
135.04428	8.1
135.08057	21.1
135.10786	1.1
135.11691	2.9
137.05971	2.1
137.09589	1.3
137.63062	0.6
138.06633	70.9
139.03908	1.5
139.07530	2.7
145.02855	84.5
145.07576	1.0
146.03165	0.8
147.04402	2.8
148.05219	1.1
148.97356	0.9
149.05988	25.1
149.09589	1.9
149.13301	0.8
152.04630	1.2
153.05527	3.3
154.06270	6.4
158.82974	0.6
158.99504	0.6
159.11678	1.0
162.03098	2.2
162.44957	0.6
163.03915	12.8
163.07553	25.5
165.05461	1.6
167.07053	27.8
177.05478	100.0
177.12737	2.5
177.15446	0.9
178.05847	0.8
180.07814	5.2
186.05510	1.6
195.02896	2.0
195.08754	93.3
195.10242	21.0
195.13539	2.9
196.09026	0.8
198.18912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03963	0.5
54.36517	0.5
55.01892	0.5
55.05519	0.9
56.78218	0.4
56.96570	0.9
57.07092	0.6
63.02404	1.2
65.03952	1.0
67.05505	0.7
69.04559	1.2
69.63126	3.5
78.04726	1.2
79.05500	1.8
81.07066	0.7
83.04979	1.1
83.06083	0.7
89.03917	27.0
90.55399	0.5
91.05470	3.0
93.03406	2.2
93.07053	1.1
95.04978	0.9
95.08646	0.6
96.68259	0.5
98.21463	0.9
98.97595	1.3
99.78334	0.4
103.05479	1.8
105.03382	0.5
105.04549	0.5
105.07051	0.8
106.04166	3.0
107.04943	4.0
107.08595	0.7
110.07188	3.2
110.16406	0.5
111.04449	1.7
117.03381	52.3
119.04950	1.2
121.06508	1.5
123.04341	0.6
124.05197	0.5
125.05972	2.3
131.05000	0.8
134.03641	8.4
135.04416	6.1
135.08121	0.9
138.06615	15.7
145.02847	84.8
146.03154	1.1
147.04393	0.7
149.05983	21.2
149.09528	0.5
153.05478	4.1
162.03113	2.9
163.02534	1.1
163.03894	11.8
167.07039	0.8
177.05470	100.0
178.05824	1.7
186.05530	1.2
195.06656	1.6
195.08760	24.5
195.14966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02377	0.5
53.03952	0.8
55.05508	1.0
57.07073	0.6
63.02387	0.8
65.03936	0.9
65.14013	0.5
67.05507	1.6
69.03429	0.9
69.04557	1.8
69.07072	1.1
71.04993	1.0
71.48965	0.7
74.17307	0.4
78.04710	1.6
79.05470	2.8
79.33099	0.5
81.07043	2.0
83.04955	0.6
83.06113	1.2
89.03917	27.7
91.05481	4.2
93.07041	3.9
95.04977	1.4
95.08598	1.2
97.06487	0.7
98.97532	0.5
103.05472	1.9
105.07047	1.1
106.04181	2.2
107.04956	6.2
107.08580	1.9
109.06493	0.5
110.07178	4.9
111.04445	1.3
117.03382	52.4
119.04948	0.6
119.08591	0.5
119.68218	0.5
121.06486	1.4
121.10130	0.9
123.04357	0.8
125.05972	0.8
131.08557	0.7
133.02864	0.7
133.10124	0.9
134.03641	8.4
135.04449	6.3
135.08076	1.8
135.10783	0.5
135.11674	2.9
137.09665	0.7
138.06630	25.8
145.02850	91.7
146.03270	0.7
149.05981	23.0
149.09631	1.0
153.05501	1.6
159.55061	0.5
162.03175	2.7
163.03896	9.3
167.07037	1.8
177.05470	100.0
177.12706	1.1
178.05885	0.8
178.12210	0.6
186.05563	1.3
195.02884	0.6
195.08778	33.6
195.13676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	1.8
53.96871	0.6
54.06174	0.6
55.01865	1.6
55.05504	2.5
63.02365	1.0
65.03911	0.9
65.38541	0.8
65.49809	0.8
65.60289	0.7
67.05499	2.0
69.03426	1.6
69.04548	2.9
69.07064	2.6
69.27173	0.6
69.27479	7.5
77.03928	0.7
77.51032	0.6
77.75343	0.7
77.79244	0.6
78.04713	2.0
79.05505	9.7
81.03413	0.9
81.07069	4.3
83.04962	1.1
83.06098	1.9
83.08589	0.9
84.08173	0.8
85.06548	1.4
87.46933	0.7
89.03922	28.7
91.05502	5.5
92.13081	0.7
93.03407	2.0
93.07049	5.3
95.04961	2.9
95.08615	3.6
97.06527	1.5
98.97636	1.1
99.39983	0.7
103.05469	2.7
105.03476	1.0
105.04480	0.8
105.07021	2.9
106.04183	2.4
107.04964	44.6
107.08590	3.7
109.10155	2.4
110.07179	8.2
111.04449	0.8
111.08112	0.8
111.11739	0.9
117.03388	51.8
120.02089	0.7
121.02888	1.1
121.06507	2.4
121.10163	3.2
123.04367	1.3
123.11720	0.9
125.06005	1.9
133.02890	1.1
133.06526	0.9
133.10165	1.2
134.03654	8.0
135.04436	16.8
135.07127	0.8
135.08054	3.8
135.11691	3.4
137.05974	0.8
137.13213	0.8
138.06636	40.8
139.07585	0.8
145.02858	92.9
146.03195	1.4
149.05988	25.3
149.09648	0.9
150.09138	1.0
150.42574	0.8
153.05469	2.0
154.06184	0.8
162.03154	2.1
163.03917	27.7
163.07568	2.8
165.07066	0.9
167.07068	4.4
167.08356	1.0
177.05481	100.0
177.12790	1.3
177.16408	1.2
178.05887	1.2
179.37494	0.8
186.05508	1.5
195.02911	1.5
195.06648	2.6
195.08781	55.7
195.13712	1.6
198.03223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03946	1.1
53.45695	0.4
55.01883	1.0
55.05508	1.5
56.05034	0.4
56.96564	1.0
57.03441	0.4
57.07084	0.7
61.51701	0.4
63.02371	0.8
65.03942	1.4
67.05498	1.9
69.03437	0.8
69.04552	1.9
69.07088	2.1
71.05013	0.6
71.51296	0.6
77.03931	0.4
78.04714	1.2
79.05493	3.9
81.03402	1.1
81.07053	2.3
83.04983	1.2
83.06111	1.8
85.02937	0.5
89.03920	26.1
89.06028	0.7
91.05482	4.7
93.03403	1.2
93.07055	3.3
95.04986	2.3
95.08611	2.0
97.06527	0.9
98.97572	1.3
103.05472	2.4
105.07053	2.6
106.04161	1.6
107.04956	10.2
107.08607	3.0
109.04031	0.5
109.06477	0.7
109.10155	0.7
110.07169	7.7
111.04469	0.8
111.08077	1.0
117.03381	52.1
117.06996	0.7
118.03738	0.5
119.04945	0.5
119.08625	1.2
121.06532	2.4
121.10123	1.9
123.04389	0.8
123.08068	0.5
124.05147	0.8
125.06001	1.2
128.02289	1.0
130.96336	0.6
133.06526	0.6
134.03650	7.6
135.04422	6.7
135.08052	2.9
135.11667	2.7
137.09636	0.7
138.06627	35.7
139.07603	1.0
145.02847	92.7
146.03178	1.3
147.04396	0.7
149.05984	24.4
149.09645	1.6
149.13220	0.5
153.05486	1.2
159.11662	0.9
162.03142	2.6
163.03909	11.2
163.07614	2.8
167.07086	3.1
167.08357	0.6
177.05470	100.0
178.05769	1.5
186.05495	1.9
195.02879	1.1
195.06657	1.5
195.08768	52.7
195.13831	1.4
195.15674	0.7
198.64459	0.4
200.21704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02380	0.4
53.00306	0.5
53.03946	1.8
53.36963	0.3
55.01864	1.6
55.05507	1.6
56.96567	0.5
57.03442	0.6
57.07065	0.4
61.71695	0.4
65.03945	1.2
67.05510	2.5
68.99783	0.5
69.03435	0.8
69.04543	1.4
69.07053	1.7
69.33200	3.4
69.78552	0.4
71.04998	0.6
77.03917	0.6
78.50420	0.4
79.05498	12.8
81.03429	0.8
81.07057	4.1
83.05000	0.6
83.06114	1.0
83.08620	0.6
89.03918	2.3
89.06052	0.4
91.05486	7.7
92.08725	0.3
93.03413	0.8
93.07054	4.4
95.04981	3.3
95.08599	2.6
97.06532	0.6
98.21514	0.8
99.08109	0.5
103.05479	12.1
105.04505	0.7
105.07040	12.7
106.04176	0.4
107.04962	100.0
107.08596	3.6
108.05292	0.7
109.04000	0.6
109.06530	0.8
109.10165	1.0
110.07165	4.7
111.04481	0.6
111.08112	0.6
115.05466	8.3
116.06277	0.5
117.03374	4.5
117.07028	3.1
119.04958	0.6
120.05741	3.0
121.02861	0.4
121.06514	1.2
121.10168	2.0
123.04409	0.5
124.05224	1.1
125.09634	0.7
131.04947	0.8
131.08562	0.7
133.06525	0.7
133.10147	0.9
134.03673	1.3
135.04475	1.8
135.08063	25.5
135.11687	2.6
137.05994	1.0
137.09703	0.4
137.13214	0.4
138.06633	21.7
139.03918	1.4
145.02858	7.7
145.03960	0.6
145.06581	0.7
145.07626	2.3
147.04381	0.7
148.05254	0.6
149.06041	2.1
149.13287	0.7
151.03828	0.4
152.04689	0.5
153.05476	0.5
153.09149	0.6
154.06252	4.4
155.89636	0.5
159.11707	0.7
163.03925	2.5
163.07558	39.7
165.05560	0.6
165.07010	0.8
167.07059	5.3
167.08412	0.7
177.05487	8.8
177.09003	0.5
177.12767	0.7
177.16388	1.9
180.07861	1.6
195.02936	0.9
195.08801	29.7
195.10266	6.5
195.13850	1.2
195.17467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55836	0.7
53.03934	1.2
55.01859	1.2
55.05516	3.8
56.05027	1.0
56.96569	5.4
57.03444	4.2
57.07061	1.1
65.36697	0.6
67.05509	7.8
67.63002	0.6
69.04571	3.5
69.07075	6.3
70.06583	1.1
71.04980	2.0
71.59911	0.9
79.00316	0.6
79.05493	9.8
81.03410	1.5
81.07065	9.5
83.04970	2.1
83.06108	3.7
83.08621	1.3
85.06537	2.7
87.04443	0.7
89.03919	3.8
89.06051	1.1
91.05484	5.4
93.07051	13.8
95.04967	2.2
95.08603	7.5
97.06537	2.3
99.04472	0.8
100.02514	0.8
103.05466	2.8
105.06995	4.3
107.04961	14.2
107.08616	7.7
109.04015	0.9
109.06532	2.5
109.10162	1.6
110.07175	12.1
111.04433	1.1
111.08064	1.9
112.19627	0.7
115.05428	1.1
117.03379	6.7
117.07029	2.2
119.08591	2.2
121.02914	1.1
121.06498	2.1
121.10181	3.6
121.10915	0.6
123.04283	1.5
123.08080	9.8
125.06021	1.0
130.96344	0.9
131.08585	3.0
133.06485	1.8
133.10138	2.1
134.03641	1.7
135.04420	3.5
135.08076	2.9
135.11710	7.0
136.07593	0.8
137.05989	0.9
137.09636	2.3
138.06635	67.5
143.05412	2.1
145.02864	10.3
148.97400	1.4
149.05948	4.6
149.09625	1.6
149.13255	2.5
152.06035	1.8
153.05426	1.3
159.11731	3.4
163.03896	6.3
163.07547	1.9
165.07039	1.4
167.07056	2.9
167.08472	1.2
176.77667	0.7
177.05486	12.0
177.09085	1.1
177.12755	4.9
179.08588	0.7
180.07843	0.8
180.09370	1.3
195.02933	2.9
195.08794	100.0
195.13600	4.7
196.09122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	2.4
53.30925	0.7
55.01871	7.4
55.05515	6.9
56.05020	1.0
56.96549	1.4
57.03434	1.9
57.07067	1.4
60.24220	0.8
62.21038	0.7
65.03942	2.9
67.05169	1.3
67.05508	26.0
68.99791	6.3
69.03410	2.2
69.04553	4.6
69.07076	6.5
70.06583	1.7
70.89833	1.8
70.90190	0.8
71.04999	4.9
72.73047	0.7
73.02900	0.8
78.04669	0.9
79.05051	1.4
79.05495	26.2
81.03415	2.5
81.07059	56.2
83.04989	11.9
83.06093	2.8
83.08612	2.6
84.04515	0.7
84.69940	0.7
85.02905	0.9
85.06552	3.7
85.10170	2.5
89.03394	1.2
89.03925	18.0
89.06035	1.1
91.04957	1.2
91.05485	14.3
93.03387	1.4
93.07051	34.7
95.04964	4.9
95.08611	28.3
95.09229	1.2
97.06542	16.8
97.10191	1.0
98.97610	1.1
103.05475	3.5
105.07034	8.2
106.04186	1.3
107.04960	22.9
107.05681	1.4
107.08604	18.0
109.02880	0.9
109.03989	0.9
109.06509	2.9
109.10146	3.0
110.07169	13.5
111.04462	0.8
111.05574	1.1
111.08063	3.5
115.05470	0.8
115.31036	0.7
117.03384	32.7
117.07034	4.9
119.04891	1.2
119.08588	2.1
121.06509	5.1
121.10139	7.4
123.04381	1.4
123.08053	0.8
123.11653	0.8
125.05968	2.1
125.09618	5.9
130.96289	0.9
131.08566	5.2
131.44644	0.8
133.02788	1.0
133.10156	7.1
134.03688	4.0
135.04431	9.4
135.08054	7.9
135.11703	22.5
137.05972	1.4
137.09602	1.6
138.06630	70.2
139.03960	0.7
139.07555	1.7
145.02858	54.3
146.03152	1.2
148.97388	1.0
149.05986	15.3
149.09598	2.4
149.13254	8.5
151.11169	0.9
153.05499	2.1
153.09128	9.7
154.06229	1.6
159.11696	9.5
162.03140	1.9
163.03917	13.2
163.06323	1.2
163.07617	5.1
165.05580	1.0
165.06926	0.8
167.07059	4.0
167.08513	1.1
177.05476	62.1
177.12776	10.3
177.16393	1.1
178.05779	1.1
178.46895	0.7
180.09341	1.1
186.05449	0.8
195.02888	2.7
195.06639	4.3
195.08772	100.0
195.13681	7.6
195.15581	1.0
195.17461	1.7
196.09149	1.7
196.13477	0.8
204.42183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.81924	0.9
53.03939	2.0
55.01861	2.7
55.05511	8.1
55.29485	0.8
56.05030	0.9
56.96561	1.6
57.03422	2.0
57.07080	1.4
65.03934	3.0
67.05506	45.5
69.03428	2.4
69.04553	5.2
69.07069	8.3
69.32823	7.1
69.49432	0.9
71.04987	4.3
79.05496	33.1
81.03409	2.9
81.07057	55.0
83.04963	5.1
83.06098	3.5
83.08611	5.2
85.02919	1.2
85.06545	3.7
87.04463	1.0
89.03915	6.4
89.06041	1.1
91.05477	18.4
93.07047	36.6
95.04977	7.1
95.08609	22.4
97.06538	10.3
97.10174	1.4
99.04465	0.8
99.08080	2.2
103.05478	5.8
105.04497	1.4
105.07037	14.5
106.04179	1.8
107.04957	56.1
107.08599	17.3
109.04005	1.2
109.06509	3.3
109.10168	2.3
110.07163	11.3
111.04445	1.1
111.08063	5.2
113.05974	1.1
113.09648	1.2
115.05452	4.3
117.03374	13.4
117.07020	6.8
119.08562	1.7
120.05742	1.3
121.02890	1.1
121.06505	3.5
121.10143	7.3
123.04353	1.6
123.11660	0.8
124.05245	1.1
125.05997	1.5
125.09612	0.9
131.04933	0.8
131.08574	10.2
133.02821	1.1
133.10123	10.8
134.03609	3.1
135.04425	6.5
135.08061	13.5
135.11696	23.6
137.05988	1.8
137.09735	1.4
137.13342	0.8
138.06628	70.9
139.03854	0.9
145.02849	23.5
145.03934	0.9
147.11667	0.8
149.05988	8.0
149.09607	2.0
149.13254	15.0
151.11156	3.8
152.04662	0.9
153.05487	1.4
153.09042	0.9
154.06259	1.4
159.11679	13.4
160.11920	0.9
163.03920	10.0
163.06296	1.0
163.07564	15.7
165.07010	2.1
167.07045	7.5
167.08469	1.4
177.05469	27.1
177.07048	1.4
177.09059	1.0
177.12762	12.0
177.16304	1.4
178.05768	0.9
180.07722	1.3
180.09248	0.8
195.02888	2.8
195.08768	100.0
195.11713	3.1
195.13792	14.5
195.15552	1.2
195.17450	1.2
196.09276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01870	1.6
55.05524	3.6
56.05021	1.5
56.96566	4.4
57.03439	3.8
57.07061	1.5
65.03938	1.2
67.05506	8.2
68.50143	0.8
69.03418	1.1
69.04549	3.8
69.07064	7.2
69.38578	5.5
71.04987	1.2
79.05490	8.5
81.03417	1.3
81.07059	9.8
83.04979	1.9
83.06094	2.3
83.08611	1.3
85.02912	0.8
85.06523	2.5
87.48950	0.6
88.00782	0.7
89.03912	2.9
89.06010	1.1
91.05494	5.4
93.07043	12.1
95.04967	1.9
95.08606	7.6
97.06528	2.1
99.08076	0.8
99.94804	0.7
103.05451	1.9
105.07026	5.2
107.04967	15.5
107.08585	5.6
109.04002	0.8
109.06527	1.9
109.10146	2.2
110.07172	13.0
111.04406	1.1
111.08095	1.7
117.03400	6.0
117.07020	1.9
119.08581	2.9
121.02847	0.8
121.06506	1.6
121.10142	3.2
123.04341	1.3
123.08076	9.0
125.05991	1.5
131.08542	1.6
133.02814	1.1
133.06506	0.9
133.10135	3.0
134.03671	0.9
135.04413	3.0
135.08072	3.3
135.11685	8.2
137.05981	0.8
137.09628	2.1
138.06628	70.3
139.06932	0.9
143.05434	1.4
145.02850	11.1
148.97412	1.2
149.06027	4.1
149.09616	1.0
149.13258	2.4
152.06010	1.2
153.09079	0.7
154.06183	0.7
159.11671	2.6
161.06435	1.4
163.03952	5.9
163.07532	3.0
165.07045	1.5
167.07056	2.6
167.12738	0.7
177.05481	14.5
177.12738	6.4
177.16414	1.2
180.09326	0.9
195.02908	2.2
195.08783	100.0
195.11725	3.0
195.13776	4.9
195.15683	1.9
196.09076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	3.3
55.01873	3.3
55.05514	11.7
56.05025	1.2
56.96571	8.3
57.03444	3.7
57.07069	1.4
65.03939	1.8
67.05509	38.7
69.03435	1.7
69.04552	4.9
69.06715	0.7
69.07069	10.6
69.92287	1.5
69.92704	1.8
70.06608	0.7
71.01336	2.0
71.04994	5.5
71.95274	1.6
73.02925	1.2
73.06580	0.7
76.26916	0.6
77.03924	1.2
79.05497	33.0
80.05833	0.7
81.03426	6.1
81.07063	73.9
82.07391	1.2
83.04540	0.8
83.04990	9.7
83.06094	2.8
83.08633	6.7
85.02934	0.6
85.06549	3.3
89.03921	2.6
89.06033	1.4
91.05486	19.1
93.03415	0.7
93.07050	45.7
95.04979	5.7
95.08611	31.1
97.06535	9.5
97.10169	1.2
97.99183	0.8
99.04456	0.8
99.08086	2.3
103.05470	1.0
105.04501	1.0
105.07035	9.5
107.04967	11.0
107.08602	18.7
108.08950	0.7
109.04040	1.1
109.06523	3.8
109.10146	3.4
110.07172	14.0
111.04452	1.3
111.05589	0.7
111.08108	5.0
113.09659	1.4
115.05440	1.5
117.03415	3.9
117.07017	7.5
119.08585	2.0
121.06516	4.9
121.10153	5.9
123.04359	0.7
123.08047	1.5
123.11723	1.0
125.05995	0.7
125.09678	1.1
129.07007	0.9
130.96333	1.1
131.00165	1.0
131.04884	0.7
131.08572	9.7
133.10139	11.5
134.03754	0.7
135.04407	1.5
135.08076	4.6
135.11700	24.6
135.85298	0.7
138.06631	74.6
139.07549	0.6
145.02840	8.8
147.11809	0.9
148.97304	1.5
149.06009	3.2
149.09613	1.2
149.13261	16.0
151.11169	1.5
153.05487	0.8
153.09119	0.7
159.11700	14.8
163.03906	3.4
163.07539	1.8
165.07137	1.5
167.07069	1.3
167.08878	0.7
177.05507	8.9
177.08963	0.7
177.12776	11.2
180.06485	1.1
180.09378	1.7
188.21446	0.7
195.02933	2.3
195.08783	100.0
195.11728	2.7
195.13809	12.1
195.15715	2.6
196.09119	2.0
213.08034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03936	2.4
54.27370	0.8
55.01861	5.6
55.05518	14.2
55.72281	0.8
56.96561	1.9
57.03428	2.1
57.07065	2.9
59.05013	1.1
62.40819	0.7
64.55244	0.8
65.03947	1.6
67.05508	12.7
69.03439	9.3
69.04557	4.0
69.06711	1.5
69.07072	28.2
70.03765	0.9
70.14211	3.0
71.04976	3.8
77.28582	0.9
79.05494	13.5
81.03430	1.9
81.07059	31.2
82.38326	0.8
83.04978	3.2
83.06090	3.0
83.08623	11.6
85.06548	4.7
89.03933	7.4
91.05485	8.9
93.07046	19.9
95.04971	2.8
95.08612	35.1
95.09233	1.7
97.06546	2.4
97.10183	7.7
99.08099	38.0
103.05471	1.1
105.07014	6.8
107.04962	16.3
107.08596	30.1
109.06522	1.9
109.10166	10.6
110.07174	14.4
111.04460	1.4
111.05592	1.0
111.08085	14.4
111.11720	3.8
113.09644	3.8
115.05484	1.1
117.03379	17.3
117.07028	2.0
119.08595	1.8
121.06528	4.2
121.10149	35.1
123.04305	2.0
123.11694	3.8
125.06023	1.8
125.09638	24.5
130.96272	0.9
131.04948	0.8
131.08594	2.3
133.10138	4.9
134.03627	2.0
135.04437	5.8
135.08029	4.6
135.11702	14.1
137.06013	0.7
137.09532	1.0
137.13254	10.7
138.06630	69.7
139.11208	4.0
141.56137	0.8
145.02852	28.5
145.03995	1.8
147.04373	0.9
148.50772	0.9
148.97325	0.9
149.06003	7.5
149.09595	2.4
149.13281	5.9
153.05432	2.0
154.06285	1.9
159.11678	2.9
163.03889	7.3
163.06285	0.9
163.07573	3.2
165.06966	1.1
167.07092	4.3
167.08371	0.8
171.98895	1.0
177.05478	29.8
177.09074	2.1
177.12798	1.9
177.16397	44.0
195.02824	2.0
195.08780	100.0
195.13770	3.0
195.15947	0.9
195.17500	12.0
196.09042	1.1
206.19493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03945	0.7
55.01871	2.6
56.96568	0.4
57.03448	0.4
57.07058	0.3
59.38989	0.3
65.03942	2.2
67.05508	2.0
69.03435	0.7
69.07083	0.4
70.64896	0.9
70.95867	2.6
72.93792	1.3
73.02918	20.6
77.03911	0.5
79.05482	1.0
80.02650	0.4
81.03448	0.6
81.07059	1.1
85.02895	0.7
87.04458	0.3
88.96934	0.4
91.05489	4.0
93.03394	1.3
93.07025	0.8
93.92607	0.3
95.04961	2.3
95.08617	0.8
97.06499	0.3
97.10170	0.3
97.29211	0.3
98.97570	0.7
100.07664	0.3
105.03410	0.3
105.04507	0.3
105.07048	0.5
107.05013	0.4
107.08595	1.7
108.02090	1.8
109.06541	1.9
109.10162	0.4
110.03658	3.0
111.04443	1.6
111.98499	2.5
116.98624	0.3
119.04946	1.8
121.43565	0.3
123.04453	0.8
123.08105	0.4
125.05995	13.0
129.99522	1.1
132.95844	6.1
133.02901	1.5
133.10150	1.2
135.04398	0.3
135.11665	0.6
136.01587	0.6
137.05974	3.2
141.05476	3.1
147.04427	1.0
149.05984	2.2
150.96909	4.9
151.03915	100.0
151.05005	8.8
151.07451	3.4
152.04236	0.8
155.97438	3.7
161.09650	0.5
165.05522	0.6
173.98508	3.6
179.07048	19.1
179.10645	1.0
197.08087	5.2
197.09775	0.6
197.11545	1.6
198.18536	2.0
217.34061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03938	0.8
55.01873	2.2
65.03948	2.2
67.05508	2.3
69.03448	0.3
69.63059	0.8
69.63459	0.9
70.95863	1.0
73.02921	20.2
77.03936	0.5
78.28474	0.2
79.05492	0.3
81.07063	0.5
85.02908	0.4
88.47160	0.2
91.05479	3.0
93.03403	1.5
95.04966	1.1
98.33443	0.3
101.88905	0.3
105.03389	0.4
108.02116	2.5
109.02888	0.4
109.06495	0.3
110.03687	2.3
111.04465	1.3
111.98498	0.6
117.03397	0.3
119.04989	1.7
123.04465	0.5
125.06002	15.8
129.06816	0.3
132.95845	1.7
133.02821	0.3
133.10217	0.3
136.01570	0.4
137.06015	1.8
141.05492	2.4
147.04391	0.5
149.05992	2.3
150.96927	1.3
151.03920	100.0
151.05008	8.9
151.07402	3.0
152.04292	0.5
155.97444	1.0
173.98575	0.6
179.07040	19.1
179.10564	0.6
192.14488	0.3
197.08096	5.9
198.18520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03944	5.7
55.05508	0.8
57.03440	1.7
59.04998	0.4
67.05495	1.6
69.03419	0.6
69.07056	0.4
70.84054	0.5
70.84391	0.6
70.95879	0.8
71.05006	0.5
72.93780	0.3
77.03931	1.7
79.05497	5.0
81.03427	0.6
81.07053	1.5
83.04997	0.7
85.06532	0.5
89.63351	0.4
91.05471	5.4
93.07031	5.6
95.04966	7.1
95.08615	1.4
97.06516	0.8
105.03391	100.0
105.04539	2.8
105.07013	6.8
106.03722	0.7
107.08592	15.8
109.06513	1.6
109.10173	1.9
110.51396	0.4
111.98463	0.8
119.04929	0.8
119.08620	1.9
121.06515	1.3
123.04432	4.2
123.11736	0.8
125.05961	0.8
131.08574	0.7
132.95840	2.1
133.10127	14.2
135.11688	11.3
137.05965	1.9
137.09607	1.3
147.04427	2.2
150.96919	1.7
151.03905	1.1
151.07532	0.7
151.11192	1.2
155.97415	1.3
161.09616	7.2
169.10188	0.4
173.98494	1.5
179.07117	3.5
179.10666	20.8
191.13826	0.3
197.08029	0.5
197.09865	0.8
197.11719	15.5
197.13110	0.6
198.18547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03936	2.8
55.01863	3.6
55.05518	6.0
56.96560	2.3
57.03418	1.5
57.07066	3.5
59.04992	3.4
63.21675	1.1
65.03907	1.5
67.05511	9.9
67.61527	1.1
69.03417	4.9
69.07066	6.8
69.07356	1.1
70.64428	2.8
70.95874	7.5
71.04991	2.7
72.93787	5.2
73.02922	2.2
79.05496	11.1
81.03410	4.8
81.07056	12.8
83.04963	2.3
83.08607	2.4
85.06533	3.4
88.96873	2.2
91.05482	23.5
93.07042	29.1
95.04975	12.6
95.08614	12.1
97.06536	2.3
99.04446	1.7
103.05470	1.4
103.51423	1.2
105.03380	1.8
105.06374	2.1
105.07037	32.2
107.04938	2.4
107.08599	73.6
109.02837	1.2
109.06515	15.1
109.10172	11.9
111.04394	1.4
111.08070	2.1
111.98482	11.0
113.96390	1.6
117.07024	2.9
119.04928	2.9
119.08599	12.5
121.06496	7.2
121.10126	4.0
123.04451	2.9
123.08057	4.0
123.11694	5.4
125.05984	5.3
125.09597	1.7
128.06158	1.2
129.99536	4.0
131.08574	3.4
132.95839	16.3
133.02879	3.9
133.06525	2.0
133.10138	73.7
135.08051	3.4
135.11694	49.5
137.05974	13.6
137.09622	11.5
143.08549	2.3
144.22688	1.4
147.04466	1.9
149.09592	1.8
150.96898	22.7
151.03926	10.5
151.11174	14.7
155.08537	2.3
155.97440	12.8
161.09633	31.1
162.09979	1.4
165.05484	2.9
167.08574	2.8
167.10661	3.8
169.10129	3.6
173.98485	12.8
179.10680	100.0
180.11002	1.6
182.10971	2.7
197.08049	2.0
197.09898	2.2
197.11737	64.0
197.13261	3.7
198.18544	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02391	0.7
53.03941	4.8
55.01878	1.9
55.05513	4.0
57.03465	2.0
57.07076	1.2
59.05019	2.8
65.03954	1.8
67.05505	6.6
69.03432	1.4
69.07056	1.3
70.91925	1.0
70.92233	1.1
70.95892	2.4
71.05010	1.1
72.93810	1.3
77.03959	2.7
79.05502	9.8
81.07063	7.5
83.05034	0.8
90.94830	0.8
91.05488	18.7
93.07052	23.1
93.07621	1.5
95.04972	11.5
95.08611	3.9
97.06526	1.0
105.03399	83.3
105.07038	29.7
106.03745	1.1
107.04966	1.2
107.08598	61.9
108.08900	0.9
109.06519	6.0
109.10145	6.7
111.04491	0.9
111.08054	1.0
111.98497	2.1
117.07056	1.0
119.04947	2.5
119.06078	1.3
119.08587	8.4
121.06525	6.1
121.10165	0.8
123.04452	7.1
123.08054	1.4
123.11721	3.4
125.06035	2.5
126.80215	0.8
128.06227	1.0
129.99503	1.0
131.08565	3.1
132.95808	4.1
133.10139	63.8
135.08121	1.9
135.11697	56.0
137.05984	6.4
137.09615	4.9
143.08600	1.7
146.07285	1.9
147.04395	4.1
150.96933	4.6
151.03923	2.1
151.05127	0.8
151.11205	5.7
155.97420	3.2
161.08272	1.1
161.09634	35.6
173.98503	3.0
179.07140	3.1
179.10681	100.0
180.11104	1.1
197.11737	67.2
198.11975	0.7
198.18623	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.03880	0.9
52.03171	0.9
55.05502	1.8
56.35198	0.9
57.07064	1.1
59.04984	0.8
59.79838	0.9
60.92225	0.9
62.75030	0.9
65.04531	0.9
67.05504	4.3
69.03407	2.9
69.07056	2.6
70.95859	2.4
71.21099	1.6
72.93774	1.0
73.02934	1.5
73.68527	0.8
79.05492	7.4
81.07066	7.2
83.04968	1.1
88.69379	0.9
91.05479	17.3
93.07053	17.9
95.04966	3.1
95.08607	6.1
97.06519	1.5
98.97596	1.2
105.06366	1.9
105.07034	29.3
105.70174	1.0
107.08597	100.0
107.81040	1.0
109.06545	5.1
109.10167	7.3
111.98431	1.6
115.05416	1.2
119.04952	2.2
119.08582	14.6
121.06510	3.4
121.10150	14.8
123.08044	1.7
123.11707	3.6
125.05959	1.8
127.42213	0.9
131.08578	3.1
132.95799	5.1
133.10136	58.6
134.10493	1.1
135.11685	4.0
137.05992	5.8
137.09601	3.3
139.07561	3.4
143.08562	2.4
149.09618	7.7
150.96895	4.2
151.03941	3.2
151.07538	2.3
151.11189	19.2
155.97433	3.6
160.33484	0.9
161.09625	15.8
167.10680	22.9
173.98468	3.7
179.10683	35.1
197.11732	51.9
197.13144	2.1
198.18538	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03966	1.3
55.01904	1.0
55.05529	2.5
56.16006	0.7
56.96597	0.7
57.07088	1.6
59.05009	3.8
65.03958	1.3
67.05501	5.5
69.03455	2.3
69.07098	2.3
70.04745	2.9
70.59358	0.6
70.95881	2.0
71.05016	0.9
72.93771	0.9
73.02927	1.0
77.03931	1.0
79.05496	8.6
81.07056	6.2
83.05006	0.7
85.06574	1.4
91.05482	20.3
93.07051	23.9
95.04979	8.1
95.05445	0.7
95.08630	4.4
97.06549	1.1
98.20794	0.8
99.04488	1.2
101.00892	2.1
103.05479	1.7
105.03458	1.0
105.04603	0.8
105.07036	40.9
106.07394	1.0
107.05014	1.1
107.08599	66.4
109.06519	7.9
109.10173	7.5
111.98498	2.7
113.06007	0.8
117.07023	1.5
119.01945	2.2
119.04974	2.6
119.06122	1.6
119.08576	9.2
121.06513	7.1
121.10130	0.9
123.04452	2.7
123.08064	1.3
123.11709	3.2
125.05978	0.8
131.08583	2.7
132.95842	3.7
133.10135	70.7
135.08110	1.9
135.11697	53.8
137.05952	5.8
137.09613	5.5
141.07048	0.9
143.01883	1.5
143.08540	1.8
146.07242	1.5
150.96855	3.6
151.03934	2.2
151.07570	0.8
151.11194	7.2
155.08549	1.1
155.97430	2.6
161.02992	1.8
161.09619	32.7
161.40073	0.7
165.05489	0.8
167.08446	0.6
169.10233	0.9
173.98495	2.8
179.10680	100.0
180.11084	1.2
182.10898	0.9
187.00734	0.9
188.01057	0.8
197.11731	67.3
197.13116	2.7
198.12169	0.8
198.18520	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	197.1537
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03949	2.0
55.01880	3.4
55.05518	22.6
56.96567	2.3
57.03437	3.8
57.07079	2.7
57.20655	1.7
67.05509	35.8
69.03408	1.7
69.07070	26.0
69.47461	11.3
71.05004	15.4
79.05498	21.2
81.07062	73.9
83.04987	5.5
83.08636	16.4
85.06555	15.4
91.05489	20.5
92.94283	1.4
93.06477	1.6
93.07054	21.7
95.04974	1.5
95.08611	100.0
97.06540	29.3
97.10181	8.9
99.08112	6.6
105.07034	25.6
105.07696	0.8
107.08595	12.7
109.06529	6.0
109.10125	8.4
111.08083	7.2
111.37026	1.3
113.09664	1.5
115.07545	1.9
117.07019	2.0
119.08588	39.2
121.10154	10.6
123.08082	6.4
123.11736	1.4
132.95874	3.0
133.10136	30.3
135.11696	23.1
135.34286	1.6
137.09586	3.2
137.13260	24.3
139.31537	1.3
161.13269	67.4
179.14336	33.4
179.15579	1.0
194.69339	1.4
197.15375	10.1
198.18546	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	197.1537
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03952	3.2
55.01869	5.0
55.05515	29.0
57.03431	5.2
57.07077	4.1
64.14137	1.4
65.03922	2.9
67.05506	35.2
69.03422	3.7
69.07071	26.6
70.95874	7.0
71.01375	1.6
71.05006	14.3
71.59896	1.5
72.93797	3.1
73.02908	2.4
74.57478	1.5
79.05495	21.6
81.07061	79.4
83.05007	8.3
83.08625	20.4
85.02889	1.9
85.06556	14.9
91.05486	27.5
93.07053	29.0
95.04975	6.0
95.08611	100.0
97.02905	1.9
97.06538	28.2
97.10188	9.3
97.63370	1.7
98.97594	2.9
99.04488	2.2
99.08088	6.5
105.07036	32.8
107.08596	19.2
107.69637	1.4
108.08073	1.6
109.02931	2.0
109.06519	8.4
109.10162	12.9
111.08066	5.5
111.98464	7.2
113.09643	1.7
115.07576	1.3
117.07033	3.0
119.04954	2.0
119.08581	39.3
121.10132	12.3
123.08074	9.4
123.11727	4.0
125.09644	1.4
127.07584	1.6
129.99529	2.8
131.08566	2.5
132.95845	12.4
133.02895	1.8
133.10133	34.0
135.11688	23.5
137.05962	8.9
137.09631	3.2
137.13261	27.7
137.14230	2.5
141.09030	1.9
150.96890	13.5
151.03934	6.8
151.04996	2.3
151.11098	1.4
155.08563	4.4
155.97424	9.6
161.09612	5.1
161.13258	59.0
165.05446	2.8
167.08572	3.2
169.10097	3.5
173.98482	10.3
176.03290	2.0
179.10707	10.7
179.14313	27.3
182.05711	2.4
182.10954	5.0
185.03920	1.4
197.05997	3.6
197.07999	3.0
197.09895	1.9
197.11798	7.8
197.13307	8.1
197.15384	10.1
198.18536	32.7
201.94556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01869	5.0
55.05515	29.0
57.03431	5.2
57.07077	4.1
64.14137	1.4
65.03922	2.9
67.05506	35.2
69.03422	3.7
69.07071	26.6
70.95874	7.0
71.01375	1.6
71.05006	14.3
71.59896	1.5
72.93797	3.1
73.02908	2.4
74.57478	1.5
79.05495	21.6
81.07061	79.4
83.05007	8.3
83.08625	20.4
85.02889	1.9
85.06556	14.9
91.05486	27.5
93.07053	29.0
95.04975	6.0
95.08611	100.0
97.02905	1.9
97.06538	28.2
97.10188	9.3
97.63370	1.7
98.97594	2.9
99.04488	2.2
99.08088	6.5
105.07036	32.8
107.08596	19.2
107.69637	1.4
108.08073	1.6
109.02931	2.0
109.06519	8.4
109.10162	12.9
111.08066	5.5
111.98464	7.2
113.09643	1.7
115.07576	1.3
117.07033	3.0
119.04954	2.0
119.08581	39.3
121.10132	12.3
123.08074	9.4
123.11727	4.0
125.09644	1.4
127.07584	1.6
129.99529	2.8
131.08566	2.5
132.95845	12.4
133.02895	1.8
133.10133	34.0
135.11688	23.5
137.05962	8.9
137.09631	3.2
137.13261	27.7
137.14230	2.5
141.09030	1.9
150.96890	13.5
151.03934	6.8
151.04996	2.3
151.11098	1.4
155.08563	4.4
155.97424	9.6
161.09612	5.1
161.13258	59.0
165.05446	2.8
167.08572	3.2
169.10097	3.5
173.98482	10.3
176.03290	2.0
179.10707	10.7
179.14313	27.3
182.05711	2.4
182.10954	5.0
185.03920	1.4
197.05997	3.6
197.07999	3.0
197.09895	1.9
197.11798	7.8
197.13307	8.1
197.15384	10.1
198.18536	32.7
201.94556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.61112	0.5
53.03903	4.7
55.01867	3.5
55.05511	3.5
56.96525	2.2
57.07042	1.2
65.03899	1.5
67.05504	4.6
68.99751	1.3
69.03391	1.8
69.07069	3.2
69.66888	3.2
70.06552	0.7
71.01323	0.6
71.04951	0.7
72.04508	0.7
72.08127	0.7
73.02934	0.7
73.77499	0.5
74.09715	6.2
77.03883	1.3
79.05495	23.6
81.03375	0.8
81.06657	0.5
81.07055	7.2
83.04942	1.8
83.08588	1.7
84.08904	0.8
85.06503	0.5
86.09715	4.5
91.05480	18.8
93.07048	39.2
94.07357	0.7
95.04970	11.9
95.08564	2.1
97.02910	0.6
97.06522	4.2
98.97579	3.9
100.07579	1.6
100.11194	0.7
103.05446	3.2
104.07376	0.5
105.03351	1.3
105.04552	2.5
105.06995	1.4
105.37647	0.5
107.01268	0.7
107.04973	3.4
107.08588	1.0
109.02861	0.5
109.06492	1.7
111.04454	4.9
111.08064	2.9
115.05425	1.1
115.92763	0.5
116.97244	5.0
116.98580	1.7
119.04888	0.7
119.08556	0.7
121.02879	0.9
121.06511	46.5
122.06805	0.5
123.04400	2.3
123.07176	0.8
123.08071	14.0
125.02309	1.5
125.05951	1.4
128.06155	0.8
131.70360	0.6
131.99536	1.0
134.95865	0.8
134.99660	1.1
137.03535	0.6
137.05965	0.9
139.03926	1.0
139.07549	31.9
140.03706	0.8
140.04689	9.3
143.08540	1.1
149.05978	15.2
151.03935	0.8
152.96902	1.7
153.05511	0.5
153.06935	0.5
153.09039	0.9
154.06380	0.5
155.07014	1.4
156.09291	0.7
157.10054	0.5
166.06209	0.9
167.07045	100.0
168.07373	1.0
171.05550	0.6
175.98549	3.2
177.17213	0.5
181.08630	6.2
182.04514	0.5
182.08127	0.6
185.08102	1.0
198.99318	0.8
199.03705	0.7
199.05659	0.9
199.07477	0.8
199.11194	0.9
199.14819	1.5
199.18896	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	41.8
58.06861	2.1
59.07383	10.5
61.91703	0.6
63.39202	0.5
69.03387	0.7
69.76047	2.0
69.76460	1.3
70.06570	1.2
72.08128	1.4
73.02878	0.7
74.09718	53.1
74.95037	0.5
84.04465	1.1
85.02875	1.2
98.97589	3.9
100.07572	2.3
101.00864	2.8
105.09810	0.5
114.00033	0.5
114.07631	1.6
116.98582	1.6
119.01891	4.8
131.01843	0.9
132.08658	2.6
141.06360	1.2
148.01532	0.5
156.08690	7.6
158.06633	24.2
158.99640	1.0
163.79951	0.6
173.05324	3.1
174.09763	21.4
176.07689	55.5
177.07858	1.0
188.42215	0.7
190.09360	0.7
191.06389	5.7
194.08777	1.2
199.07018	0.6
199.09258	0.7
200.07681	100.0
201.07880	1.8
218.08749	93.8
219.08954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
55.05508	2.5
56.96555	2.5
57.03439	0.9
57.07069	3.2
66.17400	0.7
67.05516	6.9
69.03429	1.1
69.07084	4.9
71.04998	1.1
74.79908	0.9
79.05503	5.4
81.07059	9.2
83.08640	1.0
85.99943	0.8
91.05483	12.9
93.07044	8.1
95.04970	1.7
95.08611	11.0
98.97581	1.5
100.11268	1.0
102.04700	0.9
103.05464	2.9
103.94171	0.8
105.07037	26.3
107.08610	10.5
109.06503	1.1
109.10156	3.5
115.05466	11.6
116.06275	1.2
116.98592	0.9
117.07030	17.3
118.96760	2.3
119.08598	10.8
121.10160	6.4
127.05428	1.4
128.06227	20.2
129.07022	12.0
130.07793	43.7
131.08582	19.6
133.10114	4.0
133.99091	1.0
141.06995	4.1
142.07785	3.7
143.04935	1.0
143.08572	55.4
144.05721	1.0
144.09375	3.8
145.06517	4.6
145.10133	100.0
146.10838	1.0
147.08067	1.3
147.11711	1.2
151.07535	1.0
152.06189	0.9
153.07025	5.4
154.07780	2.5
155.04953	1.1
155.06075	2.6
155.08565	19.7
157.06522	7.7
157.10106	4.4
158.07283	83.9
158.10881	3.1
159.08084	3.9
159.11700	31.9
168.09425	1.1
169.06442	1.4
171.04416	3.4
171.08069	4.9
171.11708	2.2
172.08827	1.9
172.12515	1.2
173.05917	1.9
173.07159	2.9
173.09631	69.2
173.13243	9.0
174.09982	1.6
177.00653	1.0
177.98067	2.3
183.07863	0.8
183.09273	7.1
183.11705	1.4
185.05962	1.9
186.03181	1.6
186.05098	1.0
186.06778	19.4
186.10367	1.8
186.14075	1.7
189.09091	2.7
201.05283	7.3
201.09116	44.3
201.12730	7.4
201.16400	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03948	2.2
55.05510	10.4
56.96580	1.3
57.07072	2.0
60.04531	2.1
65.12458	0.7
67.05505	18.8
69.07069	19.9
69.56683	0.7
69.57002	5.5
71.08649	0.9
72.58756	0.7
77.03919	1.2
79.05495	13.9
81.07060	54.3
83.08623	3.9
84.04508	1.2
91.05485	26.9
93.06459	1.2
93.07048	23.0
95.04983	0.9
95.08611	42.3
97.10176	1.9
100.02478	1.2
105.03373	0.9
105.07034	68.4
107.08597	25.1
109.10163	24.5
114.05542	1.3
115.05460	1.0
117.06999	5.0
118.07848	0.7
119.08586	50.1
121.10152	19.6
122.40759	0.7
123.11715	7.7
126.05566	1.4
128.06248	1.4
129.01842	0.8
129.07043	1.2
131.08574	4.5
132.09305	1.1
133.04939	0.8
133.10135	40.8
135.11708	4.9
142.07735	1.7
143.08578	4.0
145.06454	1.0
145.10129	9.5
146.10851	1.3
147.11691	100.0
148.52849	0.8
150.99359	0.8
157.05009	1.1
157.06406	0.8
157.10098	1.5
159.11719	5.4
160.05234	0.8
160.08817	1.0
160.12500	5.1
161.09644	0.9
161.13268	21.1
171.08022	1.3
172.08812	1.0
173.05983	1.3
173.13234	1.3
174.14101	1.0
175.07564	1.2
175.11345	1.1
175.14795	4.9
185.09645	0.8
185.13235	1.0
188.04668	1.2
188.08356	8.9
192.58224	0.7
203.05370	0.9
203.07053	2.8
203.10629	10.9
203.14313	2.9
203.17961	77.6
204.13847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.46146	1.0
53.03942	2.2
55.01876	1.3
55.05511	11.7
56.96572	5.8
57.03431	1.3
57.07072	2.0
60.04522	6.7
65.03931	1.9
67.05511	17.8
68.05032	2.6
69.03424	2.2
69.07075	12.1
71.59246	1.7
79.05496	13.9
80.06351	1.1
81.03432	1.4
81.07063	100.0
83.04933	1.4
83.08619	4.4
84.04497	6.3
85.02903	1.3
86.09718	1.1
91.05482	17.0
93.07062	19.3
95.04974	2.7
95.08612	49.2
95.09222	2.5
96.04482	3.9
97.02888	4.7
100.02505	2.9
103.02325	1.3
105.03420	1.6
105.07040	51.5
107.08599	29.9
107.09171	0.7
107.17294	1.0
109.10164	33.2
111.07943	1.3
114.05533	3.8
115.05451	1.6
117.07030	5.3
118.03571	1.5
119.08588	48.6
121.06482	2.4
121.10136	13.7
123.08055	1.1
123.11705	8.6
126.05495	7.6
128.06165	2.5
129.07031	3.4
131.08611	5.5
133.10135	37.6
135.11700	4.9
138.05504	1.5
142.07762	2.3
143.05504	1.3
143.08560	3.9
144.06581	1.9
145.06482	1.9
145.10136	6.6
146.07269	1.2
147.08076	2.2
147.11696	46.8
152.05946	1.9
156.06491	1.1
157.06541	1.3
157.10135	4.7
159.08063	1.9
159.11688	4.7
160.08902	1.5
160.12392	2.8
161.09543	2.4
161.13287	19.5
161.21983	1.2
170.10951	2.2
175.02739	1.9
175.07494	2.4
175.11270	2.4
175.14828	12.9
182.07825	1.8
183.08611	1.7
185.07281	1.7
185.09663	1.8
185.13274	3.0
188.08333	3.4
197.99136	2.6
203.05354	2.4
203.07060	4.6
203.10649	9.7
203.14482	8.9
203.17976	82.6
203.21986	12.8
204.08742	2.4
204.13808	5.5
204.18144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.16766	1.5
52.05951	1.1
53.03931	2.3
55.01852	1.3
55.05513	10.8
56.05043	1.2
56.96548	2.5
57.03428	1.4
57.07060	3.1
60.04517	6.0
65.03831	1.2
67.05505	19.5
68.05017	4.7
69.03438	2.0
69.07071	18.8
71.59966	1.4
71.60655	1.4
74.07684	1.4
79.05499	12.0
81.07063	32.7
82.01454	1.9
83.08622	7.5
84.04501	8.9
84.62432	1.4
85.02882	2.1
91.05480	22.6
93.06461	1.5
93.07049	22.4
95.04975	1.5
95.08610	54.2
96.04475	6.7
97.02897	6.4
97.10146	3.2
100.02472	7.8
103.05487	1.4
105.07037	100.0
107.08603	27.2
109.10163	33.7
110.06021	2.2
114.05516	4.9
117.06983	5.0
118.03537	3.4
119.08588	61.2
121.10156	28.4
123.11722	8.5
126.05519	17.2
129.06981	2.1
131.08607	6.5
133.10133	48.9
135.11676	6.3
138.05490	2.0
142.07784	2.4
143.08543	2.6
145.10141	8.3
147.11693	76.9
156.97369	1.6
157.10085	2.2
159.08022	1.7
159.11699	4.7
160.12486	4.1
161.09627	4.2
161.13271	26.8
168.06581	2.2
175.11098	1.6
175.14848	9.0
179.98076	1.9
185.13254	2.1
185.57947	1.4
185.93739	1.5
197.99107	7.2
203.05211	2.1
203.10713	6.0
203.14436	11.1
203.17964	97.8
204.08618	7.1
204.13884	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03952	1.6
55.05515	12.0
56.96571	2.1
57.07064	3.7
60.04518	5.4
61.70813	1.2
67.05507	21.4
68.05029	3.4
69.03433	2.2
69.07070	44.2
69.92374	2.2
69.92796	4.3
71.08615	1.6
79.05492	12.7
81.07060	63.1
82.74116	1.2
83.08630	17.2
84.04505	13.3
85.02916	2.0
89.43752	1.3
91.05489	16.6
91.59813	1.2
93.07047	21.7
95.08611	52.5
96.04483	3.8
97.02879	6.1
98.20819	1.9
100.02483	6.7
105.07034	74.1
107.08600	29.5
109.09446	2.7
109.10156	38.9
113.72862	1.2
114.05522	5.0
117.07035	3.7
118.03518	3.0
119.08582	62.2
121.10150	27.3
123.11711	12.6
126.05527	13.3
128.06207	1.2
129.07051	1.7
131.08568	5.9
133.10143	49.0
135.11694	11.6
138.05444	1.4
138.97601	1.2
142.07787	1.8
143.08568	1.4
144.06534	2.5
145.10146	11.8
146.07259	1.3
146.10950	1.5
147.11693	100.0
156.06656	1.9
157.10127	2.8
159.11729	5.6
160.12485	10.9
161.09686	1.9
161.13246	30.4
175.07431	1.4
175.11113	2.3
175.14825	6.6
179.56735	2.9
185.09468	1.6
185.13258	2.1
188.57359	1.7
197.99239	4.2
203.05258	3.5
203.10689	6.7
203.14322	6.4
203.17963	90.6
204.08670	5.6
204.13809	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	204.0655
Annotation	Doryanine
Peak:m/z	Relative Intensity
56.96581	0.1
60.04523	1.9
61.02935	0.2
68.05023	0.4
69.03438	0.2
69.21868	0.8
69.22281	0.4
74.06071	0.2
79.05502	0.1
81.03404	0.2
81.07046	0.2
84.04507	1.0
85.02905	0.4
87.60040	0.1
89.03902	1.1
89.04321	0.1
91.05488	0.4
96.04488	1.0
97.02878	0.8
98.06071	0.2
98.97627	0.2
99.04485	0.2
110.06028	0.1
114.05539	0.6
115.05467	0.3
116.04970	3.2
117.03374	0.2
117.07018	0.3
118.42321	0.1
120.04294	0.1
126.05495	1.0
127.03898	0.2
130.06538	0.2
134.06012	0.2
138.05347	0.2
144.04416	1.1
144.06625	0.2
145.06483	0.5
149.02324	0.3
155.06047	0.1
158.05989	0.3
161.05940	0.2
162.05499	100.0
163.05861	1.2
164.05974	0.3
164.92966	0.1
168.06592	0.3
173.05923	0.2
185.07161	0.2
186.07719	0.2
189.11531	0.2
190.04990	14.0
191.05333	0.2
204.06560	29.3
204.13829	1.3
205.05014	0.2
205.06886	0.6
209.70682	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.40576	1.0
53.03930	1.6
55.05513	10.0
56.96561	3.3
57.07078	11.4
60.04521	2.4
61.71428	1.0
65.03948	6.6
67.05501	7.2
69.03433	2.4
69.07068	16.1
70.98120	1.8
71.08611	1.5
71.60344	1.4
75.57511	1.0
79.05499	9.5
80.72736	0.9
81.03408	2.3
81.07058	31.0
82.72239	0.9
83.08613	6.8
84.04506	2.8
85.02905	3.3
85.04852	2.1
90.69295	0.8
91.05482	7.2
93.07048	32.4
93.07619	1.9
95.04964	1.0
95.08605	19.8
97.02897	6.3
97.04815	1.5
97.10174	5.6
100.99110	1.0
103.05484	1.3
105.07030	6.6
107.08599	26.2
109.02866	3.9
109.06539	1.3
109.10158	19.7
111.04462	2.0
111.11710	1.6
115.33140	0.9
117.07019	1.4
119.08581	3.1
121.02893	12.0
121.03764	1.5
121.06542	4.3
121.10144	51.3
121.80721	0.8
123.11713	10.6
126.05567	1.4
127.05875	4.2
131.08527	1.6
133.10132	1.6
135.11691	20.3
137.13315	2.4
145.02863	2.9
145.10127	3.2
147.11685	2.6
149.02345	100.0
149.13266	30.2
149.14462	1.1
150.02713	1.3
159.11723	2.3
161.13196	1.1
162.10307	0.9
163.07472	1.1
163.11148	2.5
163.14822	4.5
167.03465	1.0
175.23773	0.9
177.12772	3.5
187.07558	1.4
187.11212	1.7
188.03499	1.3
205.04941	6.8
205.06778	2.2
205.08974	3.9
205.12271	5.8
205.14198	2.7
205.15948	2.8
205.19518	21.8
206.08098	1.2
206.18964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
51.02438	0.3
53.03938	0.3
56.96569	1.4
57.03476	0.4
65.03953	0.4
69.03461	0.6
70.59220	0.8
71.22751	0.3
73.02927	0.6
79.05492	0.3
81.03426	0.6
84.96066	0.3
89.03934	0.3
91.05504	0.3
93.07069	0.3
97.02905	0.6
98.97601	1.5
104.05024	0.6
108.04501	0.2
110.97633	0.4
116.98650	0.4
117.03433	0.3
120.08100	0.9
120.98276	0.3
121.97623	0.4
124.99119	0.3
132.04457	25.8
135.04436	0.7
136.07527	0.3
143.00168	1.3
145.02873	0.6
146.03200	0.4
146.05972	0.4
149.02390	0.5
150.02731	1.0
155.00194	0.4
158.99632	0.5
160.03947	1.1
161.01218	1.1
163.03911	2.9
165.96532	0.3
169.40807	0.2
174.07471	0.7
177.00693	0.4
178.04997	100.0
179.05347	0.9
182.99751	0.8
185.01286	0.6
189.00693	0.4
189.07396	0.6
191.14305	0.3
200.99097	0.2
201.00732	1.5
206.04485	52.0
206.11919	0.9
207.04688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
53.03949	0.3
55.01902	0.2
55.05531	0.2
56.05046	0.2
56.96570	2.2
58.07418	0.2
60.04538	0.3
63.68237	0.2
65.03964	0.3
67.05532	0.3
68.99811	0.2
69.03448	0.3
69.07086	0.2
70.06603	0.4
71.05030	0.2
71.59041	0.2
72.08184	0.4
73.02921	0.4
76.04021	0.3
79.05511	0.3
81.03452	0.7
84.04494	0.2
84.08163	0.4
84.96068	0.3
85.02930	0.3
86.09708	0.3
89.03944	0.4
91.05502	0.4
95.05009	0.3
96.82957	0.2
97.02945	0.4
98.09705	0.4
98.97627	0.6
99.04443	0.2
102.15875	0.2
104.05016	0.7
105.03399	0.4
105.07049	0.2
106.05081	0.2
106.49126	0.2
107.05016	0.4
107.08643	0.3
108.04542	0.3
110.06052	0.2
110.07204	0.2
116.98648	0.3
117.03400	0.2
117.05836	0.3
119.01905	0.3
119.04957	0.4
119.08597	0.2
120.04492	0.6
120.08122	0.5
120.98215	0.2
121.02909	0.2
124.99142	0.3
127.03905	0.3
132.04457	20.6
133.02826	0.3
133.07603	0.2
134.99635	0.3
135.04445	0.4
136.06223	0.2
136.07565	0.3
137.06000	0.4
143.00195	0.6
144.10210	0.8
145.02838	0.3
146.06033	0.3
146.99559	0.2
147.04436	0.5
149.02341	0.6
150.02736	0.9
150.05504	0.7
151.03923	0.4
155.00191	0.3
158.99649	0.2
160.03990	0.7
160.07582	0.3
160.11200	0.2
161.01231	0.4
162.05437	0.4
163.03860	1.3
164.98557	0.2
171.05539	0.3
173.01248	0.3
174.07411	0.4
177.00719	0.3
178.04999	100.0
179.05400	0.9
182.98145	0.2
182.99670	0.7
183.97592	0.4
188.03349	0.2
189.06616	0.9
190.05014	1.0
191.09410	0.5
191.14320	0.5
192.95764	0.2
201.00705	1.8
201.04327	0.3
203.02341	0.2
206.04483	47.0
206.11720	2.9
207.04794	0.5
219.01712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.01588	1.2
51.02353	0.9
53.03937	1.2
54.35378	0.6
55.01864	0.7
63.02394	0.8
64.03148	0.9
65.03943	9.0
66.37765	0.6
69.03391	0.7
70.29958	0.8
70.84711	1.6
76.03165	1.7
77.03935	2.9
79.05511	0.9
80.06278	0.8
89.03930	5.2
90.04704	1.4
91.05486	100.0
92.05809	0.9
93.03343	0.9
95.05006	1.3
95.08635	0.7
96.36453	0.7
103.05479	2.2
104.02611	2.2
105.03414	2.0
107.04955	1.8
108.05729	1.5
117.03381	1.9
118.04169	5.8
119.04949	94.9
119.08638	1.2
120.05283	1.3
121.02903	2.3
122.03626	0.9
129.03400	2.5
132.02081	10.3
133.02867	2.4
134.03629	0.9
135.04436	4.6
136.05211	2.5
145.02858	2.2
146.03603	4.9
147.04417	78.9
148.04913	0.9
149.02339	9.8
149.09563	0.7
150.03105	0.9
157.03989	9.5
160.01524	1.2
162.02986	1.3
163.03957	1.7
164.04721	4.7
167.64281	0.7
174.03130	4.1
175.03914	93.1
176.04228	1.5
177.01892	1.6
179.07047	8.3
192.04179	13.5
207.06540	37.8
207.13742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02385	0.8
53.03962	1.4
55.01881	1.2
63.02394	0.7
64.75997	0.6
65.03938	7.8
66.04730	0.8
66.12196	0.6
67.05510	1.5
69.68596	1.7
69.69001	1.5
76.03147	1.3
77.03931	2.7
79.05505	2.0
85.06522	1.2
89.03919	5.2
90.04705	1.5
91.05485	100.0
92.05806	0.8
95.04972	1.8
95.08614	3.2
103.05475	2.1
104.02620	1.8
105.03407	2.7
105.07047	1.9
106.04180	0.8
107.04961	2.2
107.08590	1.6
108.05740	1.5
109.06496	0.6
117.03398	1.1
118.04151	5.5
119.04948	98.8
119.08591	2.2
121.02855	2.2
121.08472	0.8
121.10139	1.1
122.03677	1.1
123.08084	3.4
129.03375	1.3
129.04506	1.2
131.04900	1.0
132.02090	9.7
133.02852	1.2
133.10150	0.7
134.03592	1.0
135.04430	3.9
135.11691	0.7
136.05214	2.5
145.02853	2.8
146.03682	4.1
147.04417	74.9
147.11729	1.3
149.02347	10.7
149.05963	0.8
149.09628	2.4
150.03131	0.9
151.07556	0.8
157.03987	9.4
161.13274	1.5
162.03149	1.5
163.03867	1.4
164.04739	5.1
174.03195	2.6
175.03909	92.9
176.04335	1.4
179.07019	8.3
185.01659	0.6
189.12729	0.9
192.04182	9.4
207.06525	35.3
207.13846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02376	1.7
52.10582	0.7
53.03943	1.3
55.05509	1.1
57.02560	0.7
58.63073	0.7
63.02399	1.0
65.03944	9.7
67.05505	1.2
68.99809	0.8
70.72523	1.6
70.72866	1.1
76.03149	1.5
77.03928	2.6
79.05493	3.4
80.06281	0.8
81.07069	1.4
83.48326	0.7
85.06533	1.0
89.03927	6.5
90.04707	2.2
91.05486	100.0
92.05804	1.0
92.08688	0.7
93.07063	1.3
95.04980	2.1
95.08611	2.8
97.06545	0.9
98.97605	1.1
99.86285	0.7
102.04709	0.7
103.05455	2.3
104.02641	1.6
105.03408	1.7
105.07043	2.3
107.04964	2.0
107.08591	1.7
108.05754	1.8
109.06503	1.7
117.03392	1.8
118.04172	6.1
119.04951	93.0
119.08575	2.6
120.05290	0.8
121.02894	2.6
121.10135	2.0
123.08092	2.9
129.03348	2.4
129.04364	0.8
131.04936	1.0
132.02080	9.1
133.02823	1.5
133.10100	1.5
135.04405	5.7
135.65350	0.8
136.05212	2.2
137.05936	0.9
137.09637	1.2
145.02812	2.0
146.03592	5.2
147.04419	66.4
147.11699	1.6
149.02356	10.5
149.05991	1.1
149.09612	2.7
151.07567	1.3
157.03976	7.6
160.01540	1.1
161.05980	1.5
161.13216	1.6
163.03915	1.9
164.04721	6.9
169.27287	0.8
173.35678	0.8
174.03151	4.4
175.03914	86.4
176.04390	1.0
179.07028	9.5
188.96649	0.8
189.12773	2.0
190.05046	1.2
192.04170	16.2
207.06538	37.9
207.13853	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.01611	0.6
53.03946	0.6
63.02361	0.8
64.03154	0.7
65.03938	7.9
67.05508	0.7
69.03444	1.0
69.07063	0.7
69.24994	7.2
76.03156	0.8
77.03933	2.2
79.05504	1.5
80.06277	1.4
80.86224	0.6
81.07054	0.7
89.03915	4.6
90.04696	1.9
91.05486	95.3
92.05825	0.8
93.03409	1.3
93.07054	0.8
93.51115	0.6
95.04966	1.1
95.08620	1.1
98.21478	1.5
101.03910	0.7
103.05467	1.4
104.02606	1.8
105.03380	1.7
105.07050	1.0
107.04961	2.3
107.08611	1.1
108.05740	1.7
109.06551	1.0
117.03385	1.4
118.04175	5.4
119.04949	100.0
120.05296	1.0
121.02866	1.4
122.03699	0.6
123.04394	0.7
129.03374	1.6
129.04474	1.2
132.02097	8.8
133.02843	2.0
134.03688	1.2
135.04416	4.7
135.44820	0.7
136.05185	2.5
145.02866	2.6
146.03618	4.6
147.04417	75.3
147.11740	1.2
148.04805	0.9
149.02354	10.3
149.09596	1.3
151.07570	1.6
157.03964	8.4
160.01602	1.5
161.06073	0.6
161.13232	0.9
162.03090	1.2
163.03905	2.1
164.04701	6.5
165.12785	1.1
174.03195	3.4
174.10304	0.7
175.03915	94.0
176.04381	0.9
177.01831	0.9
179.07066	9.6
189.12770	0.8
192.04170	12.9
207.06538	39.3
207.13797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03948	7.2
55.01871	2.7
55.05514	10.0
56.96577	4.6
57.03424	1.2
57.07080	1.5
59.05006	1.4
65.03939	2.4
67.05509	28.0
68.99805	0.8
69.03427	5.2
69.07066	8.5
69.70061	4.8
71.04995	2.8
73.06563	0.8
77.03943	2.5
79.05495	54.1
81.03423	2.9
81.07061	25.2
81.41962	0.8
83.04987	4.5
83.08623	2.9
85.02905	1.9
85.06554	3.1
89.03859	0.8
91.05486	66.5
93.07049	100.0
94.07420	1.0
95.04360	1.0
95.04972	16.0
95.08609	15.8
97.06541	2.4
97.10172	2.1
99.04487	0.9
99.08126	1.4
103.05463	1.2
105.04525	3.9
105.07035	33.3
107.04974	1.3
107.08600	13.9
109.06518	6.5
109.10160	2.3
111.08128	2.0
115.05431	1.8
115.96445	2.5
117.07017	5.6
117.50401	0.8
118.04109	0.9
119.04940	11.9
119.05821	1.0
119.06119	0.8
119.08587	19.7
120.04465	3.1
121.02989	0.8
121.06506	2.7
121.10139	5.1
123.04465	1.1
123.08078	7.0
123.11732	1.7
127.07556	1.4
128.06221	1.3
129.07004	11.5
129.07878	1.0
131.08592	2.7
133.06522	1.3
133.10135	10.1
133.97491	1.0
135.04460	0.9
135.08014	1.0
135.11705	2.5
137.09616	1.9
142.07739	1.0
143.08562	6.6
145.10120	9.2
146.03625	1.4
147.04404	9.3
147.08025	3.9
147.11694	54.6
147.88237	0.7
149.02293	1.5
149.09651	3.7
151.07545	1.8
151.11107	0.8
156.09299	1.2
157.03996	0.9
161.05922	0.8
161.09691	4.4
161.13272	11.6
163.03931	1.3
163.11203	1.7
164.04691	2.1
165.09143	1.8
165.12798	1.7
171.05608	1.1
171.11691	22.0
175.03964	9.4
175.08865	0.9
178.05017	1.0
179.07048	1.3
179.14200	0.7
184.09303	2.4
189.06664	1.0
189.09091	1.2
189.12755	14.5
189.16380	1.0
190.05014	7.1
192.04172	2.1
192.09346	1.7
195.78197	0.7
207.02971	1.0
207.06500	10.4
207.09944	1.7
207.11722	3.0
207.13788	24.5
207.17419	3.0
217.32610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	10.3
55.01869	2.8
55.05511	8.2
56.96558	2.3
65.03934	2.6
67.05157	2.0
67.05502	29.6
69.07049	4.2
69.81512	5.7
71.04987	2.1
76.35158	1.0
77.03926	2.8
78.53817	1.1
78.70306	1.0
79.05494	51.0
81.03421	1.9
81.07056	23.8
83.04979	3.4
83.08607	3.1
83.76978	1.1
85.06538	3.4
91.05482	63.6
93.07045	100.0
94.07307	1.2
95.04971	13.7
95.08614	10.6
97.06505	1.6
97.10210	1.2
98.20734	2.0
100.54490	1.1
105.04517	4.1
105.07034	29.8
107.08595	11.2
109.06509	5.7
109.10125	1.4
117.07009	5.6
119.04943	8.7
119.08588	18.3
121.06493	2.4
121.10116	1.7
123.08051	2.7
127.07566	1.5
129.07007	10.8
131.08588	1.7
133.10144	6.0
143.08548	5.3
145.10098	8.3
147.04378	4.9
147.08116	2.1
147.11688	54.5
149.02359	2.4
151.07497	1.9
156.09373	1.4
161.09651	4.7
161.13246	7.9
163.03923	1.4
164.04674	2.5
171.11678	20.1
175.03995	5.3
179.07098	1.7
189.12747	11.8
190.04964	2.6
192.04210	2.7
205.61694	1.2
207.06461	7.4
207.13803	20.0
228.39101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02382	0.8
53.03939	1.2
55.01864	0.8
55.05508	6.3
57.03424	0.8
57.07062	3.3
65.03935	3.2
67.05505	31.1
69.03426	2.3
69.07069	2.0
70.94622	2.1
71.04979	1.2
74.28293	0.7
75.39022	0.7
79.05493	5.1
81.07063	5.3
83.04977	3.4
83.08630	1.0
85.06545	10.0
89.03897	1.2
91.05479	23.9
92.20332	0.8
93.07042	12.1
95.04961	4.1
95.08604	100.0
97.06573	1.1
103.05456	1.2
105.03413	0.8
105.07029	14.9
107.04928	0.9
107.08588	13.7
108.05664	1.1
109.06552	4.5
109.07206	0.9
109.10173	2.7
111.08101	1.1
113.06017	3.9
117.06998	0.9
118.04173	1.2
119.04951	18.2
119.08578	24.6
120.09351	1.3
121.06509	2.5
121.10147	13.7
123.08067	57.2
123.11693	6.0
125.09613	0.8
125.15749	0.7
129.03436	1.0
131.08556	3.6
132.02042	1.6
133.10130	5.1
135.08003	1.4
135.11696	3.2
137.09590	4.0
137.13263	1.7
139.07556	1.2
145.10110	1.4
147.04411	12.8
147.08075	4.2
147.11674	9.5
149.02364	1.8
149.09621	24.0
151.07541	2.0
151.14798	4.1
156.09390	1.5
157.04007	1.2
159.08066	1.9
160.08876	0.8
161.09583	1.6
161.13263	16.1
163.11174	1.8
165.09125	0.8
165.12723	9.6
171.11687	2.3
174.10439	2.6
175.03911	15.9
179.14261	3.4
189.12744	13.7
192.04213	1.5
207.06532	5.7
207.13809	22.6
213.41776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03933	7.4
55.01866	3.2
55.05516	19.6
56.05024	4.4
57.03427	7.6
57.07056	4.0
59.06128	4.4
61.11362	3.2
65.03934	6.5
67.05515	27.8
68.05025	5.1
68.73775	3.8
69.03435	34.4
69.07069	13.6
70.63976	10.0
71.05004	15.6
79.05502	22.8
81.03419	10.4
81.04543	6.0
81.07061	36.4
83.04980	26.0
85.02901	13.6
85.06549	12.6
91.05479	41.0
93.03368	2.9
93.07053	42.2
95.04970	12.6
95.06101	5.8
95.08040	4.7
95.08614	81.4
97.06535	4.3
97.07652	4.4
99.04450	8.1
105.03403	3.3
105.07036	59.2
107.04985	5.8
107.07877	3.8
107.08601	67.4
109.06536	19.4
109.07651	4.1
109.10136	19.6
111.04438	7.9
111.08078	6.2
111.09196	4.1
111.60589	3.5
115.96428	3.5
117.07034	4.2
119.04958	17.1
119.08591	74.6
121.06498	8.3
121.10168	19.5
122.07201	5.7
123.04448	7.3
123.06696	5.7
123.08093	45.1
123.08971	5.7
123.11729	14.9
125.09613	3.5
127.07507	4.2
129.05495	9.0
129.06984	5.0
131.08594	6.3
131.49193	3.3
133.06496	9.0
133.10141	51.7
134.07193	4.1
135.08067	6.0
135.11703	100.0
136.05154	4.0
136.08727	4.1
137.05968	5.7
137.09630	27.1
137.13306	3.3
138.06477	3.7
138.10214	3.1
145.10117	7.5
147.04396	13.1
147.06534	3.5
147.08049	9.1
147.11700	56.0
148.08685	7.3
149.09613	35.5
149.13274	9.0
151.07550	9.6
151.11162	16.0
161.06079	4.4
161.13239	23.6
163.11205	4.9
163.14868	19.3
165.05437	3.8
165.07765	7.7
165.09050	8.0
165.11398	4.3
165.12743	10.3
166.09715	4.0
166.10941	4.8
171.11697	6.3
175.03931	12.2
189.09090	4.5
189.12791	23.4
189.16394	89.5
192.04103	5.6
207.02904	9.9
207.06459	25.3
207.08015	3.7
207.09917	13.4
207.12114	7.1
207.13840	50.3
207.17468	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01869	0.3
55.05515	2.4
55.78113	0.2
56.05034	0.9
56.96568	0.4
57.03443	0.6
58.22049	0.2
59.43979	0.2
64.47594	0.3
65.03948	2.0
67.05510	1.5
68.05023	0.7
69.03438	1.3
69.07071	0.8
69.69951	0.8
69.70359	0.9
70.06596	1.2
71.04977	0.4
72.08154	4.6
73.58456	0.3
77.03929	0.4
79.05498	1.4
80.04988	0.5
81.03416	0.6
81.07040	1.3
82.06577	3.6
83.04982	0.8
83.08620	0.7
84.08144	100.0
85.02925	0.4
85.08482	0.8
89.03934	1.1
91.05485	23.2
92.05781	0.4
93.07050	1.7
94.06577	0.8
95.04961	1.0
95.08588	1.3
96.08128	5.1
98.09721	0.5
103.05444	0.4
105.03396	0.7
105.07033	3.3
107.04961	1.0
107.08608	1.8
108.05753	0.4
108.08140	0.8
109.06523	0.7
109.10170	0.7
110.09686	2.8
111.04453	0.2
112.11269	1.3
115.05469	0.5
117.03388	0.4
117.07031	0.5
118.04163	1.1
119.04945	20.2
119.08586	3.0
120.04448	1.0
120.08077	0.4
121.02876	0.8
121.06570	0.6
121.10142	1.2
123.08076	1.1
123.11691	0.4
124.11248	0.3
129.03360	0.5
129.07011	0.4
131.04958	0.3
131.08578	0.4
132.02106	1.9
132.04439	0.3
133.02846	0.5
133.06497	0.5
133.10155	1.4
134.06032	0.4
134.09706	0.4
135.04414	0.9
135.08063	0.4
136.05161	0.6
137.09625	0.5
138.11664	0.5
138.12773	4.9
143.00200	0.4
143.08551	0.4
145.02847	0.4
145.06505	0.3
145.10057	0.5
146.03625	0.8
147.04414	14.8
147.08035	1.9
147.11646	1.4
148.11145	0.4
149.02370	2.6
149.09657	1.3
150.12761	1.7
151.07594	0.9
156.09319	0.4
157.04025	1.7
159.11557	0.3
160.01756	0.3
161.05968	0.5
161.07178	0.4
161.09654	0.7
161.13203	1.3
162.05530	0.7
162.12784	1.0
163.03973	0.8
164.04657	1.3
164.14325	2.1
165.09084	0.4
165.12679	0.4
171.05550	0.6
171.11626	0.4
172.03839	0.3
174.03113	0.4
175.03912	18.0
178.04976	0.4
178.15881	0.3
179.06998	2.6
179.08273	0.3
189.09158	0.5
189.12766	1.8
190.05026	2.6
192.04126	2.3
207.03180	0.4
207.06490	8.9
207.10219	0.8
207.13824	3.1
207.18579	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	208.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05521	0.4
58.99868	1.1
62.47354	0.5
68.98288	0.7
69.22702	4.3
72.44324	0.5
72.50253	0.5
77.00919	0.6
81.03423	2.2
82.01456	0.6
85.01447	0.6
98.97659	0.6
100.02485	0.8
101.00896	1.8
103.00655	0.7
103.02461	0.5
108.02560	0.5
108.04485	1.0
109.02901	1.7
113.00900	1.2
115.02444	2.2
118.03537	0.6
119.01904	4.0
121.01672	1.9
123.89501	0.4
129.04013	1.3
131.01926	3.7
133.03539	0.6
139.02396	2.5
141.03992	1.2
142.03474	0.5
144.03279	2.4
145.03455	0.9
146.99789	0.6
147.05104	0.7
149.00803	1.3
157.03481	10.9
159.01422	0.6
159.05070	1.8
161.02988	1.1
161.04706	0.5
162.03113	1.6
167.01895	11.1
173.02980	1.0
175.04581	1.8
177.06119	0.5
180.05043	1.4
182.06586	0.6
184.04584	1.1
185.02975	100.0
186.03166	2.3
190.03535	3.1
203.02293	1.6
203.04015	23.2
203.07689	1.8
208.04572	27.6
209.04726	0.8
221.03154	0.7
221.05118	1.2
226.05539	2.9
229.31754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03946	8.4
55.01873	23.0
55.05517	5.9
59.11176	1.2
65.03934	9.7
67.05483	4.0
69.03416	2.2
69.07053	2.3
71.04986	2.3
71.13624	2.9
71.83934	1.1
75.04483	8.7
77.03926	3.3
78.04696	8.7
79.05489	8.1
81.03419	1.9
81.07034	5.6
82.04210	1.3
83.04978	4.3
83.08611	2.9
85.02914	7.8
89.03923	9.8
91.05484	49.1
93.03407	20.7
93.07047	23.9
95.04974	18.2
95.08588	5.3
97.06513	7.8
98.97572	2.0
103.05473	27.7
105.03411	2.8
105.04505	3.9
105.07021	4.6
106.04177	62.5
107.04980	8.6
107.08575	6.4
109.06522	4.9
109.10167	1.4
111.08026	1.7
117.03388	8.8
118.04148	2.2
119.04915	4.3
119.08593	1.6
121.06508	78.9
121.10130	4.4
123.04438	2.4
123.08050	5.1
123.11668	1.7
125.06008	16.3
125.09618	3.9
131.04935	12.9
131.08566	1.7
133.02946	1.4
133.10098	3.5
134.03635	12.5
135.04419	4.2
135.08047	2.9
135.11661	2.4
137.06018	9.2
138.06738	3.7
139.07509	4.4
145.02867	9.7
145.10118	2.1
145.28955	1.6
147.04393	4.1
147.11627	1.5
148.05202	9.4
149.05983	100.0
149.09602	3.9
149.13246	2.5
151.07509	2.4
151.11169	5.9
153.05437	5.4
153.09129	12.3
159.04424	5.0
163.03920	3.4
163.07523	6.5
165.05464	2.1
165.12764	1.3
166.06256	3.2
167.07047	2.4
167.14264	1.9
173.13339	2.0
176.04710	2.6
177.05479	57.7
180.07733	2.0
181.08627	20.1
181.34030	1.2
191.07056	10.8
191.14377	6.6
194.05809	1.8
209.08093	26.7
209.15260	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02383	1.4
53.03947	7.7
55.01878	15.0
57.03432	2.2
65.03943	12.4
67.05491	5.4
69.03416	2.1
69.27150	2.7
69.27553	9.2
71.04977	1.8
75.04480	11.4
77.03921	2.7
78.04718	13.1
79.05507	7.4
81.03411	2.3
81.07063	2.4
83.04984	2.2
85.02908	10.5
88.44854	1.3
89.03915	5.1
89.06042	3.4
89.68022	1.1
91.05483	46.5
93.03413	31.7
93.07053	16.9
94.04176	2.3
95.04971	19.4
97.05966	1.7
97.06529	12.6
103.05466	21.5
105.03381	2.3
105.04503	2.8
105.07005	3.4
106.04180	89.3
107.05003	7.5
107.08590	2.2
108.05721	2.1
109.06522	9.8
109.10166	1.3
111.04427	1.7
111.08118	1.5
117.03377	5.4
118.04209	1.4
119.04964	5.2
121.06513	82.7
121.10108	2.4
122.03626	1.8
122.07307	1.3
123.04411	3.3
123.08065	2.1
124.05231	1.6
125.06007	19.7
127.59276	1.2
131.04935	6.1
133.02840	2.0
133.10129	2.4
134.03636	14.1
135.04401	2.2
135.07996	2.1
137.05974	14.0
138.06740	4.7
139.07559	6.3
145.02873	5.3
147.04454	2.4
148.05206	7.0
149.05992	100.0
149.09615	14.0
151.03905	2.2
151.07526	3.6
152.08366	2.4
153.05476	6.4
153.09119	20.5
159.04390	2.7
163.07535	4.2
165.05492	1.7
166.06287	4.1
167.07079	2.6
176.04698	1.9
177.05487	43.2
181.08591	18.9
191.07065	5.9
209.08113	20.1
209.15417	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02380	1.3
53.03954	8.2
55.01876	19.3
55.05518	10.2
57.02316	1.1
57.03424	2.1
59.04977	1.5
65.03944	11.4
67.05507	7.5
69.03418	2.8
69.07059	4.7
71.04983	4.3
71.55190	1.7
75.04479	10.3
77.03938	2.7
78.04723	14.3
79.05495	15.0
81.03419	2.6
81.07056	6.4
83.04984	9.4
83.08604	4.3
85.02917	8.8
85.06552	1.2
89.03916	8.1
89.06032	2.5
91.05482	48.7
93.02878	2.2
93.03417	24.8
93.07053	24.6
94.04192	1.1
95.04975	23.7
95.08596	3.3
96.05722	1.2
97.06538	13.0
98.24651	1.0
98.97555	1.4
99.04462	2.0
99.08083	3.0
103.05477	26.0
105.03426	2.7
105.04494	2.4
105.07030	7.6
106.04182	74.5
107.04961	10.6
107.08603	11.9
108.05771	1.9
109.06510	9.4
109.10166	4.8
110.07275	1.3
111.04445	1.9
111.08112	3.0
117.03365	6.0
117.07034	1.4
118.04150	1.5
119.04957	5.4
119.08566	2.2
120.05733	1.7
121.02833	1.6
121.06515	78.4
121.10153	9.9
123.04448	3.8
123.08070	3.4
123.11701	2.2
124.05183	1.9
125.05995	19.9
125.09619	4.4
131.04939	15.3
131.08585	10.3
133.02846	1.7
133.06508	1.6
133.10127	2.9
134.03632	13.8
135.04413	4.9
135.08069	3.1
135.11693	1.9
137.05984	11.6
137.09550	1.4
138.06746	8.3
139.07579	5.9
145.02821	5.2
145.10114	3.2
147.04401	3.6
147.11649	1.4
148.05186	9.7
149.05986	100.0
149.09615	15.0
149.13300	1.5
151.03882	2.3
151.07536	2.8
151.11165	5.6
152.08347	1.2
153.05487	6.9
153.09111	19.0
158.99712	1.1
159.04413	4.9
162.03078	1.3
163.03947	2.8
163.07520	3.7
163.11177	2.6
163.14862	2.1
165.05490	1.8
165.12727	1.3
166.06181	3.3
167.07045	3.5
167.14337	3.7
173.13275	2.3
176.04768	2.9
176.95076	1.1
177.05478	52.7
181.08568	16.5
191.07062	5.5
191.10684	4.6
191.14348	4.6
194.00319	4.2
194.05768	6.2
209.02646	3.6
209.08095	29.1
209.11566	5.4
209.15384	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.01605	1.8
51.02376	2.0
53.03950	11.2
53.99793	1.3
55.01875	19.8
55.05518	12.2
56.04333	1.3
57.03433	3.0
57.07076	17.5
58.07410	1.8
61.87129	1.4
65.03943	14.9
67.05508	10.7
67.78226	1.3
69.03416	4.8
69.07072	8.4
69.27016	13.4
71.04990	12.2
75.04479	8.7
76.72362	1.3
77.03942	3.5
78.04723	12.4
79.05045	2.4
79.05497	30.6
81.03378	3.3
81.07066	12.8
83.04990	12.4
83.08614	5.2
85.02906	8.1
85.06548	12.3
89.03928	9.7
89.06049	2.4
91.05484	62.3
93.03416	28.4
93.07048	43.5
95.04973	30.5
95.08580	4.9
97.06530	18.5
97.10138	1.4
98.20796	3.6
99.04436	3.9
101.00860	4.4
103.04792	1.5
103.05472	26.3
105.03403	3.9
105.04502	4.0
105.07028	15.7
106.04180	75.4
107.04966	16.4
107.08598	31.6
108.05724	1.7
109.06519	11.2
109.10147	4.4
110.07237	2.5
111.04461	4.8
111.08098	3.4
117.02130	1.5
117.03365	7.4
117.07042	4.4
118.04160	1.8
119.01897	1.8
119.04955	6.6
119.08555	6.8
120.05731	3.8
121.06511	98.3
121.10146	19.4
123.04439	6.1
123.08076	5.0
123.11762	1.7
124.05209	2.0
125.06004	22.8
125.09615	10.2
131.04932	16.7
131.07571	2.2
131.08566	46.0
131.09499	2.8
133.10144	4.6
134.03641	17.6
135.04414	4.1
135.08058	8.2
135.11732	3.3
136.05223	1.6
137.05969	14.0
138.06801	8.9
139.07573	7.5
141.05444	1.4
145.02879	4.8
145.10120	18.7
147.04437	4.7
147.08040	2.9
147.11713	2.2
148.05203	15.9
149.05989	100.0
149.09616	39.4
149.13243	3.5
151.07594	6.9
151.11211	6.8
152.08369	2.7
153.05452	9.9
153.09116	20.2
155.01910	3.1
157.03461	2.7
159.04465	4.4
162.84142	1.3
163.03954	1.9
163.07590	5.8
163.11205	16.0
163.14833	2.2
165.05470	2.6
165.09148	2.8
166.00890	2.4
166.06267	5.3
167.07043	3.8
167.10715	3.7
167.14346	4.7
173.02975	4.6
173.09663	3.9
173.13261	4.2
176.04782	2.8
177.05484	61.0
181.04909	2.1
181.08620	14.4
185.03085	2.0
191.05449	1.6
191.07059	6.5
191.09033	2.6
191.10667	16.4
191.14297	8.9
194.00272	8.2
194.05766	9.3
203.04045	5.5
209.02689	5.0
209.04631	3.4
209.08116	48.2
209.09892	3.4
209.11693	25.0
209.15308	13.8
212.94153	1.4
215.03995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84365	0.6
53.03947	0.9
55.01871	8.2
56.96553	2.3
58.25746	0.7
61.39276	0.6
65.03928	1.3
67.05482	0.8
67.92506	0.9
69.03432	1.3
69.07029	0.8
70.06582	1.5
70.58892	0.8
70.59231	2.1
72.37930	0.6
73.18598	0.6
79.05487	2.3
81.03381	1.0
82.94862	1.1
84.04499	0.7
84.08123	1.3
85.02928	0.9
86.09698	1.0
89.03908	1.4
91.05483	5.3
93.03413	1.7
93.07051	1.5
95.04967	1.4
97.02888	1.8
98.97556	3.8
103.05479	4.6
106.06556	1.8
107.04966	4.1
107.08607	1.5
109.02864	2.0
110.06043	67.3
110.97541	0.9
116.98615	1.8
117.03384	2.2
118.04179	0.8
118.06549	1.9
119.04926	1.7
121.06488	6.2
121.10166	0.8
122.06028	51.4
123.97438	1.2
126.93758	0.8
131.04947	5.1
134.06015	11.5
135.04391	1.9
135.08118	0.7
136.07564	4.6
137.05956	2.6
138.06360	2.1
145.02774	1.3
145.10161	0.9
146.06013	24.0
147.04401	3.3
148.05179	1.3
149.05968	8.4
150.05511	1.8
152.07071	100.0
153.07440	1.1
156.03336	1.6
157.03503	0.8
159.04483	2.2
162.05498	5.9
163.03909	6.6
163.07588	1.2
164.07066	68.9
167.96465	1.6
169.03502	2.2
174.04283	0.7
174.05630	1.1
176.04726	1.6
177.00615	0.8
177.05470	17.4
180.06540	11.8
184.35551	0.7
185.02995	2.4
186.04428	1.0
187.04509	1.8
191.06985	1.4
192.06552	19.7
194.05722	1.2
209.04529	0.7
209.08012	4.0
209.09419	2.8
209.15205	1.4
215.03993	1.0
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	Coronafacic acid
Peak:m/z	Relative Intensity
51.02380	2.3
53.03944	8.5
55.01871	16.3
55.05515	15.8
57.03421	4.1
57.07075	15.4
65.03949	9.1
67.05506	12.7
69.03419	6.3
69.07066	21.6
70.83034	4.2
71.04640	1.5
71.04993	21.1
75.04454	4.8
77.03905	2.7
78.04697	6.6
79.05495	53.2
79.83187	1.3
81.03407	4.2
81.07065	16.1
83.04977	18.0
83.08602	5.7
85.02898	6.3
85.06539	9.9
86.09683	1.9
89.03906	4.5
91.05479	54.0
93.03414	17.3
93.07043	56.1
95.04977	30.3
95.08588	5.5
97.06531	15.3
98.97571	1.7
99.04424	4.2
99.08114	1.7
101.00888	1.6
103.05469	18.8
105.04501	3.9
105.07031	31.2
106.04179	48.2
106.19449	1.6
107.04953	28.3
107.08592	59.8
109.06526	15.2
109.10150	5.9
110.07161	2.5
111.04430	4.3
111.05246	1.5
111.08096	2.4
115.05459	1.9
116.06227	2.2
117.03380	5.6
117.07040	8.6
118.04113	1.9
119.01916	2.4
119.04929	6.2
119.08569	10.2
120.05684	1.5
121.06504	85.2
121.09298	2.5
121.10135	34.8
122.03732	1.6
123.04428	4.4
123.08061	6.0
123.11710	3.7
125.06013	17.1
125.09595	8.3
129.07054	3.2
130.07787	4.0
131.04915	8.2
131.08569	100.0
133.10092	3.4
134.03635	9.3
135.04370	4.6
135.08025	7.2
135.11682	5.6
137.05928	7.6
137.09657	2.3
138.06737	3.2
139.07550	6.3
141.05457	4.4
143.08507	2.2
145.02838	4.6
145.06404	1.7
145.10121	40.9
147.04387	2.9
147.08038	5.9
147.11659	5.1
148.05188	9.8
149.05981	67.9
149.09618	80.5
149.13271	2.4
150.09872	1.6
151.02681	1.5
151.07536	5.6
151.11165	7.0
153.05464	16.2
153.09093	15.4
155.01807	1.6
159.04411	3.9
163.03915	2.5
163.07520	5.1
163.11186	28.9
163.14925	1.9
165.09090	4.4
165.12767	2.4
166.00806	3.7
166.06218	3.5
167.07045	8.1
167.10686	5.0
167.14311	6.7
172.21521	1.4
173.02966	2.4
173.09586	4.0
173.13254	4.2
177.04018	2.8
177.05476	43.9
178.06055	1.4
181.07117	1.7
181.08560	10.8
185.02946	2.1
191.07016	4.3
191.10684	30.9
191.14284	5.8
194.00307	7.0
194.05730	4.5
203.03996	3.4
209.02647	8.3
209.04454	2.5
209.08110	26.3
209.11723	58.2
209.15182	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	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.01614	0.5
53.03947	2.4
55.01872	7.6
55.05255	0.6
55.05516	11.1
57.03431	2.8
57.07069	1.5
58.88095	0.5
59.05001	1.5
60.30147	0.6
62.34515	0.5
65.03931	2.0
65.82168	0.5
67.05504	9.1
69.03429	4.1
69.06709	0.8
69.07069	14.0
69.96488	2.3
71.04996	19.5
77.03923	1.3
78.04726	1.2
79.05496	31.9
80.03142	0.6
81.03419	1.4
81.07062	11.5
83.04984	14.7
83.08614	3.2
85.02905	1.1
85.06567	3.0
89.03947	0.9
91.05482	21.9
93.03391	1.8
93.07049	33.1
95.04972	100.0
95.08595	5.1
97.06535	10.2
97.10162	1.0
98.20745	0.7
98.21310	1.3
99.04460	17.4
99.08083	2.7
103.05480	4.8
105.03419	0.6
105.07037	21.9
106.04185	4.5
107.04957	14.4
107.08597	41.8
109.06526	18.8
109.10156	7.2
110.03746	0.7
111.04433	2.3
111.08074	3.1
113.06001	0.9
113.09620	0.8
115.05460	1.3
116.06244	0.7
117.03386	1.0
117.07029	4.7
119.04937	1.4
119.06033	0.8
119.08582	7.1
120.05777	0.9
121.06514	31.2
121.10151	26.4
123.04411	1.5
123.08070	4.5
123.11715	2.7
125.05985	6.4
125.09620	5.1
129.07004	3.1
130.07803	2.2
131.04959	2.9
131.08574	61.1
132.08873	0.8
133.02869	2.1
133.06508	1.1
133.10144	11.4
134.03615	1.3
135.04445	3.1
135.08060	6.7
135.11702	3.5
136.05206	1.6
137.06000	1.6
137.09595	0.8
138.06807	0.6
139.07585	2.7
139.11188	1.8
141.05460	1.8
143.08537	1.5
145.02898	0.7
145.10130	23.5
147.04405	1.1
147.08064	2.5
147.11688	3.4
148.05203	3.0
149.04909	1.1
149.06003	12.2
149.09624	49.1
149.13216	3.3
151.03889	1.3
151.07515	3.1
151.11197	7.3
153.05484	9.2
153.09114	26.6
158.10922	1.1
159.04440	1.9
163.03893	3.6
163.07605	1.3
163.11191	16.7
163.14786	3.4
165.09097	1.3
165.12706	0.7
166.06255	3.8
167.07047	5.1
167.10664	2.3
167.14310	5.6
173.09653	1.9
173.13263	6.2
176.04736	0.7
177.05492	9.9
178.06233	9.2
179.03404	5.0
181.04977	2.7
181.08652	4.3
191.07056	1.4
191.10675	18.4
191.14272	8.6
194.02061	0.9
194.05751	8.9
209.04456	2.3
209.08171	9.5
209.11749	30.2
209.15317	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02372	1.3
53.03943	6.6
55.01877	10.9
55.05512	19.2
57.03429	4.4
57.07072	10.0
59.04990	1.8
65.03948	7.7
67.05511	12.4
69.03424	6.3
69.06715	1.4
69.07072	21.4
69.18081	1.0
69.39207	9.9
71.04994	23.9
75.04462	3.3
77.03920	2.6
78.04723	5.0
79.05495	47.3
81.03404	3.3
81.07063	14.1
83.04985	24.8
83.08631	7.7
85.02885	3.9
85.06561	5.9
89.03928	2.7
91.05482	49.8
92.05794	1.5
93.03402	11.9
93.07047	55.4
95.04971	31.0
95.08606	5.2
97.06534	16.6
97.10149	1.7
99.04440	3.2
103.05466	12.3
103.80667	1.1
105.03400	1.0
105.04479	2.5
105.07033	31.6
106.04177	33.5
107.04957	23.9
107.08599	63.0
108.05759	1.8
109.06522	15.1
109.10174	8.1
111.04421	4.5
111.08075	4.6
113.05985	1.2
115.05489	1.4
116.06226	3.7
117.03351	2.5
117.07026	8.9
118.04204	1.0
119.04931	4.0
119.05917	1.1
119.08585	8.0
119.09292	1.3
121.06505	68.1
121.09290	2.1
121.10146	38.6
123.04437	3.5
123.08076	5.9
123.11661	2.4
125.05994	15.7
125.09631	9.3
129.07002	4.5
130.07761	3.6
131.04959	5.5
131.08571	100.0
133.06491	1.8
133.10100	4.0
134.03607	7.0
135.04393	3.3
135.08052	5.2
135.11649	5.3
137.05984	7.1
137.09706	1.2
138.06758	3.3
139.07527	6.3
139.11096	1.3
141.05444	2.4
143.08548	1.6
145.02792	2.4
145.10129	42.4
147.04393	2.6
147.08037	4.0
147.11664	3.3
148.05174	6.2
149.05989	44.8
149.09624	80.4
149.13263	4.4
151.07550	5.6
151.11201	8.1
153.05470	17.8
153.09109	9.7
155.01941	1.3
159.04398	3.0
163.03816	1.7
163.07545	4.4
163.11208	30.6
163.14853	2.0
165.05501	1.5
165.09126	3.3
166.06339	1.5
167.07065	8.4
167.10687	3.7
167.14323	9.4
173.02924	1.3
173.09589	3.3
173.13307	3.0
176.04669	1.2
177.05508	25.0
177.09271	1.2
178.09932	2.3
181.08562	8.0
191.07051	2.7
191.10669	31.5
191.14243	5.6
194.00371	2.4
194.05742	3.7
194.07381	1.0
203.03993	1.8
203.35683	1.0
208.21501	1.2
209.02673	2.0
209.04503	1.5
209.08221	14.7
209.11732	58.9
209.15242	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	3.8
55.01871	6.8
55.05255	1.5
55.05513	25.6
57.03433	2.7
57.07069	4.1
58.16029	0.7
59.04995	2.7
60.83513	0.8
65.03931	4.0
67.05506	11.3
69.03440	5.2
69.07063	9.6
69.68332	5.5
71.04995	12.6
73.75997	0.9
75.04479	1.4
78.04726	1.4
79.05495	22.3
81.03420	1.8
81.07055	22.3
83.01349	1.5
83.04983	35.4
83.08624	11.8
85.02876	1.5
85.06538	3.3
89.03930	1.1
91.04949	1.5
91.05482	19.3
93.03390	4.0
93.06460	1.2
93.07050	25.2
95.04971	100.0
95.08599	9.6
97.06528	15.5
97.10178	2.3
98.20807	2.1
98.21443	2.1
99.04463	17.8
99.08086	4.5
103.05460	5.1
105.07029	17.5
106.04173	7.8
107.04970	7.4
107.08598	34.7
109.06519	50.1
109.10155	17.5
111.04465	1.8
111.08077	9.2
113.09602	1.1
115.05455	1.4
115.07536	1.1
116.06249	1.4
117.03407	1.6
117.07011	2.6
119.04930	2.1
119.08605	5.7
121.02914	1.4
121.06509	20.9
121.10146	27.9
123.04358	1.2
123.08085	4.5
123.11707	4.7
125.05998	4.7
125.09641	11.3
129.06978	2.4
130.23796	1.0
131.04932	3.6
131.08577	32.2
133.10135	22.1
134.03642	3.0
135.04416	2.7
135.08044	10.5
135.11682	2.8
137.06032	1.1
137.09634	1.6
139.07520	4.8
139.11208	2.3
145.02878	1.3
145.10120	13.1
147.08049	1.7
147.11661	4.3
148.05182	2.7
149.04901	1.5
149.05984	15.6
149.09625	29.1
149.13254	7.7
151.07532	2.0
151.11171	15.5
153.05498	5.4
153.09113	31.1
155.09529	0.9
158.10941	1.4
159.04463	1.4
163.03896	1.9
163.11200	10.7
163.14827	3.7
165.09192	1.2
165.12769	1.0
166.06316	0.9
167.07016	3.0
167.14314	22.0
173.13278	9.6
176.61089	0.9
177.05492	10.2
178.06256	1.0
181.08636	3.0
181.15747	1.0
191.07094	1.3
191.10675	10.1
191.14305	13.7
194.05768	2.6
209.04468	3.7
209.08185	6.5
209.11775	15.2
209.15359	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.4
55.01873	2.0
55.05515	26.1
57.03421	1.8
57.07063	3.4
59.04988	2.4
67.05509	10.7
68.99788	1.4
69.03075	1.3
69.03435	23.7
69.07070	15.8
70.15422	2.6
70.15813	2.4
71.04984	5.0
71.43074	1.2
79.05489	6.0
81.07072	13.1
83.04985	17.4
83.08620	9.2
85.06554	9.5
91.05497	7.0
93.07056	16.6
95.04976	5.3
95.08607	15.5
97.06541	6.6
97.10172	21.6
99.04483	1.2
99.08091	12.2
105.07022	7.4
106.04141	1.6
107.08600	36.9
109.06532	9.1
109.10172	14.3
111.04424	2.4
111.08075	8.5
113.06019	9.4
117.07003	1.2
119.08569	2.3
121.06519	5.6
121.10154	27.1
123.08087	3.5
123.11703	5.1
125.06068	5.3
125.09639	100.0
127.07583	2.0
131.08592	5.9
133.10136	11.1
134.24522	1.0
135.08058	11.2
135.11670	4.2
137.09598	4.0
139.07529	8.0
139.11163	4.3
144.10803	1.3
145.10146	2.8
147.11658	4.4
149.06001	2.3
149.09627	65.7
149.13281	14.7
151.11188	43.3
153.09126	20.6
154.09853	2.2
158.10881	1.8
163.14842	14.1
167.14307	1.7
173.13284	10.9
180.52177	1.1
181.15869	1.9
191.14330	28.8
209.15381	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	4.9
55.01876	14.6
55.05513	72.8
56.96562	3.3
57.03450	7.1
57.07075	4.4
59.04989	6.0
65.03931	3.6
67.05508	17.0
69.03428	6.9
69.07073	11.1
69.94720	6.0
71.04987	7.1
73.37863	1.6
78.04731	2.3
79.05503	13.1
79.52299	1.4
81.07058	21.9
83.04984	100.0
83.08624	39.7
85.02903	2.1
85.06538	4.7
89.03915	5.0
91.05487	22.5
93.03403	3.1
93.07051	31.9
95.04969	33.6
95.08603	15.1
97.02892	1.8
97.06524	10.3
97.10172	7.9
98.97589	4.9
99.04446	5.0
99.08109	3.6
103.05460	14.2
105.07049	10.5
105.07661	1.8
106.04164	11.1
107.04962	49.2
107.08593	37.4
107.09284	3.2
109.06529	23.8
109.10159	26.2
111.04435	1.7
111.05592	1.8
111.08081	10.5
112.66157	1.7
113.09666	2.7
116.98648	1.7
117.03405	7.6
117.07006	1.8
119.04939	4.8
119.08559	2.9
121.06514	24.2
121.10143	45.8
123.04468	2.9
123.08073	5.2
123.11713	12.5
125.09637	16.1
131.04932	13.5
131.08569	6.9
133.10155	12.1
134.03621	6.6
135.04451	3.9
135.08060	8.7
135.11671	3.7
137.06075	1.9
137.09615	3.2
138.03140	1.8
139.07530	2.3
145.02872	6.1
145.10127	5.0
147.04405	5.6
147.11671	1.7
148.05193	6.8
149.05975	30.4
149.09612	6.4
149.13252	12.4
151.11186	40.4
153.05446	2.4
153.09123	15.6
158.99704	1.5
159.04419	5.6
161.92526	1.5
163.03923	6.3
163.07581	5.1
163.11099	2.0
163.14815	8.0
166.06345	2.2
167.07056	4.2
167.14317	67.3
167.96410	1.5
173.13232	8.6
176.04628	2.4
177.04015	3.2
177.05470	45.0
181.08582	3.2
191.07072	6.0
191.10640	3.3
191.14308	14.1
194.00354	2.9
194.05756	3.9
209.02699	3.6
209.04475	4.0
209.08051	24.6
209.11578	2.4
209.15364	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	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51303	32.1
66.24301	33.2
70.62214	100.0
79.97890	31.9
112.89606	75.3
119.64294	34.8
127.19914	31.4
210.94029	74.2
223.99959	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	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02375	0.5
53.03951	2.9
55.01884	2.3
55.05511	4.0
56.96568	2.2
57.03434	1.3
57.07071	0.7
60.94133	0.4
61.02908	0.6
65.03933	1.0
67.05504	5.5
69.03416	1.8
69.07057	2.1
70.06576	1.0
71.05004	2.5
71.58938	0.5
72.08147	1.0
77.03929	1.1
78.04717	4.1
79.05494	5.3
80.18445	0.4
81.03426	2.8
81.07055	5.1
83.05003	2.6
83.08617	1.6
85.02882	0.9
85.06544	1.5
87.17761	0.4
91.05485	16.4
93.07051	13.9
95.04971	10.1
95.08615	4.3
97.02869	1.5
97.06535	1.3
97.10168	0.5
98.97577	1.7
99.04449	1.1
99.08100	2.2
101.06004	0.5
103.05474	9.6
105.03420	0.9
105.04532	1.0
105.07053	7.4
106.04185	2.9
107.04968	2.7
107.08595	2.4
108.04447	0.6
108.18707	0.5
109.02867	1.0
109.06512	2.3
109.10167	7.5
111.04431	0.5
111.08085	1.6
115.05464	1.1
116.98701	0.5
119.04948	4.1
119.08582	4.0
121.06513	17.5
121.10152	1.4
122.03661	1.2
123.04434	9.6
123.08076	1.3
123.11694	1.0
124.05228	2.9
125.02370	1.1
125.05968	0.7
127.11170	0.7
131.06073	1.0
131.08565	0.8
133.02898	1.4
133.06485	4.3
133.10120	3.0
134.03683	0.9
135.04457	0.8
135.11708	3.7
136.03989	0.7
137.05981	14.9
137.09605	2.6
147.04411	1.7
147.08090	1.1
147.11685	0.9
149.05991	29.2
151.03900	4.2
151.07590	3.0
151.11215	0.8
152.04660	2.1
153.05446	0.7
155.10635	0.5
157.10112	0.6
158.99614	0.5
161.02344	0.5
161.06023	4.9
163.14859	1.5
165.05502	2.2
165.06926	1.1
165.09163	0.5
166.06245	6.0
167.07048	100.0
168.07404	0.7
175.11142	0.9
175.14850	1.6
177.09084	0.5
179.03427	1.0
179.07097	1.0
180.07771	1.8
181.08612	26.5
193.05020	0.7
193.08600	2.0
193.12263	1.4
193.15894	1.0
211.05957	1.1
211.07869	1.2
211.09674	4.6
211.13100	0.7
211.14990	0.5
211.16954	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03941	7.4
55.01864	7.8
55.05257	2.4
55.05513	41.2
56.96570	33.9
57.03440	9.5
57.07088	3.3
67.05507	34.9
69.03430	11.0
69.07066	13.5
71.04983	6.9
71.59975	2.2
79.05497	30.0
81.03422	100.0
81.07060	43.4
83.04985	47.0
83.05496	2.3
83.08627	36.3
84.96035	7.0
85.06540	4.0
86.06069	2.5
91.05482	39.5
93.07049	24.4
94.06573	2.8
95.04974	30.6
95.08604	21.8
95.72435	1.6
97.02820	3.5
97.06541	5.3
97.10163	4.7
97.99189	12.5
98.06056	2.4
99.04465	1.7
99.08095	3.0
105.07037	28.5
107.04963	7.4
107.08588	13.6
109.06519	7.9
109.10149	13.2
111.04467	1.9
111.08099	10.4
115.05510	2.8
116.00229	6.2
119.08590	24.9
121.06484	1.8
121.10153	9.4
123.04421	2.2
123.08051	5.5
123.11737	2.1
125.02371	3.4
125.09629	4.0
129.07028	10.7
131.08559	12.3
133.06519	4.2
133.10110	13.7
135.11705	5.3
137.05972	12.4
137.09644	5.2
142.07761	4.2
147.08025	4.1
147.11693	16.8
149.09651	8.2
151.11198	2.6
155.08556	4.2
157.10153	14.6
165.12773	3.9
167.07005	2.3
169.10112	5.9
175.11220	14.0
175.14851	2.3
181.10175	2.4
183.11636	3.8
193.10423	2.5
193.12236	35.2
211.07663	2.0
211.11278	3.3
211.13240	10.2
211.14851	8.1
211.16795	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03952	5.7
55.01870	6.1
55.05515	41.6
57.03444	8.8
59.04995	2.3
65.03940	1.6
67.05161	2.0
67.05507	30.2
69.03429	9.5
69.07068	11.9
69.77061	6.5
71.04998	5.6
79.05499	30.4
81.03425	100.0
81.07064	35.2
83.04987	44.3
83.08628	28.6
85.02907	1.5
85.06528	4.3
91.05485	37.6
93.07054	19.4
95.04974	31.4
95.08615	16.5
97.02902	2.6
97.06525	4.4
97.10190	9.3
97.99165	1.4
99.08097	2.3
103.05486	1.7
105.06366	1.7
105.07038	22.5
107.04953	6.5
107.08606	12.2
109.06528	6.8
109.10164	9.2
111.04473	1.6
111.08087	9.6
115.05473	1.5
117.07045	1.2
119.04932	1.9
119.08592	19.7
121.06515	3.9
121.10145	8.5
123.04404	1.7
123.08057	5.1
123.11723	2.0
125.09597	3.1
127.07562	1.2
129.07024	14.1
131.08588	12.3
133.06488	5.0
133.10135	12.3
135.11693	4.6
137.06012	7.4
137.09619	4.6
142.07747	3.0
145.10069	1.7
147.08069	2.7
147.11720	15.1
149.05945	2.8
149.09584	5.9
151.11087	1.8
155.08571	1.2
157.10135	16.3
165.12805	2.7
165.21230	1.1
167.07071	9.6
169.10089	1.7
175.11209	16.0
175.14868	1.9
181.08652	1.1
193.12259	31.9
211.13228	14.0
211.14911	2.2
211.16638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	4.7
55.01868	5.6
55.05514	39.1
57.03437	9.3
59.04997	1.7
63.30944	1.0
65.03944	2.5
67.05509	28.2
69.03436	10.2
69.07068	8.4
69.94495	4.8
71.04994	4.6
79.05498	33.6
81.03421	100.0
81.07059	35.4
83.04985	49.5
83.08624	32.6
85.02933	1.3
85.06550	2.8
91.05489	35.4
93.07053	16.0
95.04975	31.6
95.08602	12.6
95.49415	1.4
97.02881	3.8
97.06542	4.3
97.10184	7.5
99.08086	1.7
100.09052	1.5
105.07034	24.2
107.04959	6.9
107.08613	8.0
109.06520	5.3
109.10178	2.6
111.04449	1.8
111.08076	10.5
113.05998	1.7
115.05424	1.1
117.07085	1.7
119.08588	19.0
119.10634	1.1
121.06528	1.7
121.10163	8.8
123.08044	2.5
125.09626	1.4
127.07542	1.2
129.07022	14.0
131.08559	10.0
133.06474	4.3
133.10143	12.0
137.05959	3.8
137.09615	1.8
142.07791	3.1
145.10107	2.9
146.29375	1.1
147.08061	3.1
147.11685	16.0
149.09654	7.3
157.10121	14.2
165.12755	4.1
167.07048	3.6
175.11197	15.1
193.12256	32.9
211.13292	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02385	0.8
53.03950	5.2
55.01878	5.7
55.05512	39.3
56.96570	4.9
57.03174	1.1
57.03436	12.2
57.07057	2.5
59.04995	2.4
65.03936	2.1
67.05507	33.3
69.03433	11.6
69.07070	14.0
70.80110	2.3
71.04991	8.1
73.02898	0.9
77.03920	1.1
78.04710	1.1
79.05498	35.1
81.03420	100.0
81.07058	44.1
83.04984	52.1
83.08620	34.3
85.02890	1.5
85.06545	4.3
91.05484	39.0
93.07050	25.1
95.04973	37.6
95.08609	18.6
97.02905	4.3
97.06534	6.2
97.10165	6.5
97.99163	1.5
98.97549	1.5
99.04445	2.5
99.08080	2.7
103.05461	3.8
105.04539	1.5
105.07033	28.1
106.04134	1.2
107.04974	9.4
107.08601	13.0
109.02879	0.9
109.06523	8.6
109.10167	10.7
111.04424	3.1
111.08086	13.1
113.06004	1.0
115.05444	2.1
117.07032	1.6
119.04933	3.3
119.07781	1.3
119.08587	22.3
121.06514	8.0
121.10134	9.7
122.03641	2.9
123.04452	3.9
123.08051	5.7
123.11697	3.5
125.09636	5.3
127.03881	0.8
128.06200	0.9
129.07008	13.9
131.08577	11.9
133.06494	5.1
133.10135	15.3
135.08028	1.0
135.11697	3.4
137.05978	35.2
137.09578	5.0
139.11208	1.7
141.06975	1.1
142.07787	3.3
145.10091	2.0
147.04433	2.7
147.08067	4.5
147.11699	16.7
149.05986	8.5
149.09631	8.8
151.03931	1.9
151.07559	3.1
151.11168	2.2
153.05551	1.3
154.07793	0.9
155.08539	2.4
157.10141	17.8
161.06004	1.0
165.05467	1.1
165.06906	0.8
165.12799	4.3
166.06293	1.5
167.07059	31.2
167.10721	0.9
169.10118	4.3
175.11198	16.7
175.14813	2.2
179.07025	2.5
181.08646	7.9
181.10072	1.4
183.11623	1.8
193.12248	36.0
193.15918	1.9
196.05219	1.0
196.12357	1.3
211.05908	1.0
211.07661	2.2
211.09557	2.4
211.11308	1.5
211.13164	15.7
211.14917	3.8
211.16739	1.8
229.07501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.01855	1.6
55.05259	0.8
55.05515	11.9
56.96566	3.0
57.03439	2.2
57.07082	1.2
59.05005	1.4
65.03938	1.7
67.05508	19.3
69.03432	3.3
69.07074	6.9
70.04434	3.1
70.06580	0.9
71.01373	0.8
71.04991	6.6
72.08158	1.0
77.03936	1.1
78.04703	3.0
79.05501	8.0
81.03435	4.2
81.07065	11.7
83.04987	5.7
83.08629	8.0
85.02946	1.1
85.06535	3.2
87.04422	0.8
91.04953	1.2
91.05491	17.6
93.07049	16.7
95.04976	79.8
95.08611	16.8
96.05286	1.2
96.08029	0.7
97.02875	0.8
97.06531	3.2
97.10161	1.0
97.99174	1.1
98.06032	0.7
98.21249	1.8
98.97572	1.3
99.04465	5.7
99.08103	27.6
101.06035	2.0
103.05481	9.8
105.04540	1.5
105.07039	8.3
106.04168	3.3
107.04948	3.6
107.08598	9.4
109.02950	0.8
109.06519	6.1
109.10169	29.6
111.08094	2.6
113.06020	1.5
113.09634	0.9
119.04960	4.1
119.08580	7.6
120.08090	0.8
121.05636	1.1
121.06512	18.4
121.10150	3.1
122.03631	1.7
123.04442	11.7
123.08082	3.5
123.11713	2.8
124.05213	3.0
125.09637	2.9
127.11250	1.0
131.08595	1.0
132.04478	1.3
133.06520	5.1
133.10139	9.2
134.03682	0.9
134.45381	0.8
135.08072	1.3
135.11719	10.1
137.05991	19.1
137.09622	31.3
139.03882	0.9
142.07776	1.2
147.04453	1.9
147.11737	1.7
149.05994	32.2
149.13132	1.1
151.03906	4.2
151.07544	2.7
151.11191	3.8
152.04681	2.7
153.05521	1.2
153.12747	2.2
155.10681	19.6
155.11879	1.5
161.06001	4.4
165.05469	2.1
165.06834	0.8
165.12764	1.6
166.06268	6.7
167.07053	100.0
168.07416	1.8
175.14891	4.9
179.03514	1.8
179.07037	1.0
180.07805	1.6
181.08607	26.1
183.08072	1.1
188.33513	0.8
193.04976	0.8
193.08583	2.4
193.12282	2.2
193.15897	10.7
194.15416	1.8
211.05997	2.4
211.09717	3.7
211.11470	1.1
211.13359	1.4
211.16959	18.5
212.16473	1.4
229.51593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.01855	1.6
55.05259	0.8
55.05515	11.9
56.96566	3.0
57.03439	2.2
57.07082	1.2
59.05005	1.4
65.03938	1.7
67.05508	19.3
69.03432	3.3
69.07074	6.9
70.04434	3.1
70.06580	0.9
71.01373	0.8
71.04991	6.6
72.08158	1.0
77.03936	1.1
78.04703	3.0
79.05501	8.0
81.03435	4.2
81.07065	11.7
83.04987	5.7
83.08629	8.0
85.02946	1.1
85.06535	3.2
87.04422	0.8
91.04953	1.2
91.05491	17.6
93.07049	16.7
95.04976	79.8
95.08611	16.8
96.05286	1.2
96.08029	0.7
97.02875	0.8
97.06531	3.2
97.10161	1.0
97.99174	1.1
98.06032	0.7
98.21249	1.8
98.97572	1.3
99.04465	5.7
99.08103	27.6
101.06035	2.0
103.05481	9.8
105.04540	1.5
105.07039	8.3
106.04168	3.3
107.04948	3.6
107.08598	9.4
109.02950	0.8
109.06519	6.1
109.10169	29.6
111.08094	2.6
113.06020	1.5
113.09634	0.9
119.04960	4.1
119.08580	7.6
120.08090	0.8
121.05636	1.1
121.06512	18.4
121.10150	3.1
122.03631	1.7
123.04442	11.7
123.08082	3.5
123.11713	2.8
124.05213	3.0
125.09637	2.9
127.11250	1.0
131.08595	1.0
132.04478	1.3
133.06520	5.1
133.10139	9.2
134.03682	0.9
134.45381	0.8
135.08072	1.3
135.11719	10.1
137.05991	19.1
137.09622	31.3
139.03882	0.9
142.07776	1.2
147.04453	1.9
147.11737	1.7
149.05994	32.2
149.13132	1.1
151.03906	4.2
151.07544	2.7
151.11191	3.8
152.04681	2.7
153.05521	1.2
153.12747	2.2
155.10681	19.6
155.11879	1.5
161.06001	4.4
165.05469	2.1
165.06834	0.8
165.12764	1.6
166.06268	6.7
167.07053	100.0
168.07416	1.8
175.14891	4.9
179.03514	1.8
179.07037	1.0
180.07805	1.6
181.08607	26.1
183.08072	1.1
188.33513	0.8
193.04976	0.8
193.08583	2.4
193.12282	2.2
193.15897	10.7
194.15416	1.8
211.05997	2.4
211.09717	3.7
211.11470	1.1
211.13359	1.4
211.16959	18.5
212.16473	1.4
229.51593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.02361	0.9
53.03950	4.3
55.01871	6.3
55.05515	35.8
56.96553	2.8
57.03183	1.1
57.03435	7.8
57.07065	4.8
59.04994	1.8
63.42163	0.9
65.03931	3.0
67.05508	50.2
69.03127	0.9
69.03431	11.4
69.06721	1.4
69.07069	22.8
69.63972	6.0
69.69109	0.9
70.06618	1.6
71.04990	17.0
72.08123	1.3
77.03937	0.8
78.04698	2.9
79.05495	40.0
80.05804	1.1
81.03419	51.7
81.07057	71.0
82.07351	1.2
83.04982	30.6
83.08132	1.2
83.08621	23.0
85.02892	2.3
85.06538	9.1
87.04503	1.1
91.05483	37.2
91.06060	1.7
93.03405	1.1
93.07045	70.5
94.06578	1.8
94.07350	0.9
95.04339	1.7
95.04971	47.0
95.08605	69.9
96.05276	1.1
97.02868	2.7
97.06518	9.0
97.10167	5.7
98.06062	1.1
98.97552	1.8
99.04456	4.1
99.08100	16.9
101.06008	2.0
103.05447	6.8
105.03427	1.6
105.04485	1.6
105.07030	34.6
106.04164	2.6
107.04985	5.8
107.08595	79.2
107.73377	1.2
109.02871	1.8
109.05852	1.3
109.06528	12.3
109.10156	59.8
111.04434	2.6
111.07446	1.2
111.08086	12.6
111.11697	1.0
113.05968	2.1
113.09621	1.1
115.05461	2.1
117.06997	1.6
119.01890	1.1
119.04935	3.9
119.06068	1.6
119.08585	42.3
119.09441	2.4
121.06513	10.6
121.09303	1.3
121.10146	24.6
122.03613	1.0
123.04433	11.3
123.08078	8.0
123.11710	18.6
124.05240	2.1
125.02320	2.2
125.05982	1.4
125.09622	11.3
127.03895	1.3
127.07529	1.6
129.06999	5.6
131.08583	6.9
133.02795	2.3
133.06506	4.4
133.10130	32.6
135.04391	0.9
135.11694	87.6
136.07553	1.3
137.05980	25.0
137.08641	1.4
137.09615	18.3
137.13232	3.7
139.11157	1.8
142.07759	1.9
145.10098	1.7
147.04393	2.5
147.08009	2.7
147.11681	13.1
149.05974	15.0
149.09584	3.3
149.13271	9.3
150.06500	1.0
151.03873	4.8
151.06493	1.2
151.07582	4.4
151.11217	7.7
151.14813	2.0
152.04684	2.3
153.12747	6.3
155.08540	1.8
155.10681	5.7
157.10126	7.8
161.05968	2.2
163.14819	100.0
163.97763	1.0
164.15265	1.5
165.05522	2.3
165.09148	1.7
165.12743	4.1
165.16412	1.3
166.06215	3.2
167.07050	55.6
167.14313	2.4
169.10150	1.8
175.11212	9.2
175.14827	34.3
177.00735	1.2
179.07126	6.3
181.08595	14.5
181.10133	1.7
181.15901	6.7
183.08078	1.3
193.04941	1.7
193.08636	2.4
193.12273	17.0
193.15915	15.7
196.12352	1.2
211.05878	2.2
211.07692	2.1
211.09708	5.5
211.11287	2.0
211.13199	9.1
211.15067	1.5
211.16911	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.0
55.01883	7.9
55.05252	2.6
55.05516	43.9
56.96562	5.4
57.03444	10.0
57.07061	4.6
59.04992	2.8
65.03942	4.9
67.05507	57.7
67.82750	1.3
69.03443	13.3
69.06712	1.8
69.07071	24.3
70.18542	1.3
71.01352	2.6
71.05000	18.8
71.60005	2.2
75.81488	1.5
77.03895	1.5
78.04691	2.7
79.05497	50.5
81.03422	76.1
81.07061	80.4
83.04987	45.3
83.08622	34.1
84.08173	1.6
85.02930	2.5
85.06557	8.9
87.04446	1.6
91.05487	45.5
93.07049	73.4
95.04972	53.5
95.08613	69.1
96.21139	1.5
97.02896	5.2
97.06525	7.9
97.10192	9.6
98.97568	2.4
99.04481	2.3
99.08094	16.2
101.06044	1.8
103.05467	9.8
105.04538	1.5
105.07040	43.9
105.07758	2.5
106.04183	4.0
107.05008	7.8
107.08600	77.6
109.06529	16.1
109.10162	64.0
111.04450	4.1
111.08089	16.4
113.05991	2.5
113.09650	1.6
115.05488	2.8
115.07539	1.8
117.07033	1.6
119.04949	4.3
119.06038	2.0
119.07769	2.9
119.08588	42.5
121.06523	16.8
121.10151	21.3
122.03633	2.8
123.04452	13.9
123.07252	1.5
123.08080	9.7
123.11716	20.5
124.05245	1.7
125.02381	4.4
125.05981	2.4
125.09610	8.1
127.07561	1.9
129.07033	8.3
131.08580	11.0
133.02835	2.3
133.06467	4.5
133.10138	36.3
135.04433	2.0
135.11700	92.9
137.05981	48.8
137.09618	19.8
137.13228	3.5
139.11166	1.8
142.07735	3.3
147.04445	2.9
147.08038	4.3
147.10620	1.9
147.11697	19.2
149.05984	21.2
149.09633	6.3
149.13271	8.6
150.06549	1.6
151.03918	5.7
151.06502	2.4
151.07538	6.8
151.11203	8.7
151.14871	2.8
152.04657	1.8
153.05464	2.3
153.12769	5.7
155.08574	3.1
155.10690	4.9
157.10126	13.4
161.06012	2.6
163.14827	100.0
165.05467	3.3
165.06931	2.2
165.09120	2.2
165.12747	3.7
166.06277	4.5
167.07051	73.2
169.10207	1.8
175.11205	14.2
175.14844	31.9
179.07130	10.6
181.08577	15.1
181.15904	6.3
189.40665	1.4
193.04973	1.3
193.08589	3.9
193.10544	3.0
193.12239	29.3
193.15915	16.5
211.07677	5.3
211.09628	5.5
211.11430	2.9
211.13208	11.0
211.15092	1.6
211.16927	34.1
219.57207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03933	3.2
53.48985	0.9
55.01869	5.1
55.05514	37.1
56.88255	1.0
56.96582	4.8
57.03437	11.4
57.07078	4.7
59.04994	2.8
65.03933	2.5
67.05510	42.6
67.89637	1.1
69.03436	16.7
69.06712	1.4
69.07072	26.0
70.72437	1.8
71.01333	0.9
71.04998	7.0
71.08621	1.4
72.08133	0.9
73.02905	0.9
77.47203	0.9
78.04723	1.8
79.05502	22.5
81.03424	49.6
81.07063	49.9
83.04986	35.7
83.08625	21.9
85.02893	1.5
85.06538	7.3
91.05482	27.7
93.03359	1.0
93.07051	25.6
95.04981	21.4
95.08613	51.5
97.02869	1.5
97.06534	5.4
97.10187	6.4
97.99165	1.7
98.97613	1.6
99.04436	4.0
99.08105	5.8
103.05450	3.6
105.07038	26.0
107.04990	4.9
107.08599	34.3
109.06524	18.8
109.10164	100.0
111.04415	3.3
111.08095	11.9
113.09657	1.6
115.05487	1.7
117.07000	2.3
119.04900	2.7
119.07777	1.8
119.08593	32.2
121.06523	8.8
121.10160	17.7
122.03677	1.2
123.04441	5.1
123.08070	19.3
123.11721	13.5
125.02369	1.9
125.09639	8.5
127.07537	1.9
127.11179	1.3
129.07001	8.9
131.08568	7.3
133.06502	3.9
133.10144	27.1
135.08043	1.2
135.11700	63.2
137.05986	36.8
137.07051	1.7
137.08647	1.3
137.09627	18.2
138.10429	1.2
139.11137	2.5
141.06969	1.1
142.07823	1.3
143.08519	1.1
145.10054	2.1
147.04396	2.7
147.08022	2.1
147.11685	9.5
149.06013	9.8
149.09656	5.4
149.13261	6.3
151.02112	1.1
151.03923	3.0
151.07585	2.1
151.11195	11.6
151.14844	10.4
153.09082	1.4
153.12726	2.6
155.08577	3.4
157.10159	7.6
161.06012	1.7
165.05608	1.5
165.09117	1.9
165.12701	3.2
165.16400	3.6
166.06270	3.0
167.07057	32.5
167.08327	1.1
167.10710	1.9
168.09344	1.4
169.05127	1.3
169.10135	4.4
175.11224	9.0
175.14827	19.7
179.07027	4.2
181.08595	7.8
181.10078	1.6
183.11671	2.0
193.04926	1.2
193.08594	1.7
193.12242	17.3
193.15883	15.4
196.12450	1.5
211.07562	2.5
211.09590	4.4
211.11322	2.0
211.13257	7.2
211.15187	7.8
211.16975	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	2.3
55.05254	1.5
55.05509	16.6
57.03426	1.6
57.07077	4.4
59.04997	1.6
67.05504	29.5
69.03425	10.9
69.06713	1.1
69.07066	15.1
71.04133	1.9
71.04983	4.4
71.08626	1.3
75.45933	0.9
79.05479	6.1
79.75146	0.8
81.03404	3.4
81.07058	29.1
83.04978	14.1
83.08614	10.7
85.06532	4.1
91.05472	6.4
93.07040	12.4
95.04966	4.1
95.08606	39.7
97.06516	2.3
97.10161	1.8
99.08086	4.2
100.07606	0.9
105.07047	8.3
107.08591	23.2
108.05715	1.1
109.06525	11.0
109.10157	100.0
111.08086	3.7
113.09634	2.4
119.08577	23.6
121.06521	2.5
121.10136	12.1
123.04413	1.1
123.08074	13.4
123.11699	8.9
125.09631	1.1
127.11204	1.2
131.08499	1.1
133.10127	20.4
135.11693	60.9
137.06003	4.8
137.09624	17.7
139.11166	2.3
147.11691	1.9
149.05943	2.0
149.13254	4.9
151.11180	11.0
151.14819	11.2
153.12737	2.3
165.12823	1.1
165.16425	3.1
167.07027	6.3
175.14815	18.5
181.08626	1.1
193.15887	15.2
211.16959	2.3
219.67456	0.9
230.55264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01860	8.7
55.05254	3.8
55.05510	56.8
56.96568	100.0
57.03431	10.5
57.07063	7.2
57.86613	2.2
65.03938	3.5
67.05506	56.3
69.03441	12.6
69.07072	29.9
71.04995	13.7
71.60807	4.0
71.61225	3.1
71.95279	2.6
74.97591	3.2
79.05500	42.8
81.03421	89.6
81.07061	85.1
83.04984	53.1
83.08623	44.3
84.96023	11.1
85.02924	2.2
85.06519	7.6
91.04950	3.6
91.05484	48.2
93.07043	38.5
94.06574	3.0
95.04423	3.3
95.04976	33.2
95.08042	5.2
95.08611	74.5
97.02879	5.5
97.06524	14.2
97.10165	10.2
97.99174	23.6
99.04446	9.1
99.08080	7.4
105.06377	2.9
105.07033	39.1
105.20657	3.0
107.04951	9.3
107.08603	23.1
109.06513	12.1
109.10166	22.4
111.08096	14.9
111.87904	2.3
116.00265	12.6
117.07069	3.4
119.08584	51.2
121.06516	3.4
121.10149	18.1
121.61441	3.1
123.04405	3.7
123.08061	10.1
123.11720	4.7
125.02326	9.9
125.09678	4.9
127.07570	3.1
127.11197	7.8
129.07010	13.5
131.07687	2.6
131.08534	13.7
133.06528	4.2
133.10129	32.2
135.11719	19.8
137.06012	30.4
137.09612	6.8
137.13258	10.7
139.04028	3.0
142.07779	4.3
147.08038	5.2
147.11693	15.7
149.09608	6.4
151.07545	6.2
154.07780	2.8
155.08542	7.5
155.10643	5.4
157.10146	16.0
161.13258	42.2
165.12750	2.9
167.07062	6.8
169.08847	2.4
169.10103	14.6
173.04825	2.7
173.06386	4.3
175.11153	17.5
175.14816	6.2
179.07098	4.8
179.14297	34.8
181.08623	2.6
181.10135	3.9
182.10983	2.5
183.08446	4.0
183.11729	6.2
193.12263	33.2
193.15863	5.9
196.12460	4.7
199.06439	5.4
201.07918	5.5
203.05830	2.8
205.98730	3.2
211.06035	2.9
211.09557	3.0
211.11325	6.1
211.13197	11.6
211.14848	23.6
211.16931	9.8
217.07457	6.7
219.08888	2.7
222.07967	2.7
229.07507	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03944	2.8
55.01871	3.1
55.05513	23.8
56.96555	3.7
57.03441	6.4
57.07063	4.8
57.20985	1.3
59.04998	3.1
62.99381	1.1
65.03940	1.7
66.57256	1.6
67.00681	1.2
67.05164	2.0
67.05510	38.3
69.03434	18.8
69.06713	1.5
69.07072	23.9
69.82492	7.4
70.06580	1.5
71.04987	7.6
71.08637	2.5
72.08159	1.5
72.46828	1.2
73.02919	3.8
73.58725	1.3
74.15669	1.2
75.74979	1.1
78.04706	1.2
79.05496	13.3
81.03423	14.9
81.07060	37.4
83.04981	22.0
83.08634	13.9
85.02909	2.8
85.06554	8.0
91.05486	67.2
93.07044	20.6
94.06590	3.3
94.25579	1.2
95.04984	14.3
95.08611	53.5
95.09233	3.1
97.06542	4.0
97.10184	6.0
98.21463	2.7
98.97596	5.6
99.04449	1.7
99.08109	9.7
103.05466	4.0
103.87962	1.2
105.07037	17.8
106.04234	1.5
107.04980	2.2
107.08601	28.4
109.06529	16.5
109.10162	100.0
110.97555	2.1
111.08102	6.8
113.06699	1.4
113.09637	2.6
115.17482	1.6
116.98670	1.7
119.04923	2.9
119.06053	1.9
119.08594	31.2
121.06466	6.2
121.10155	18.0
123.04417	4.5
123.08077	20.6
123.11715	14.9
125.09637	13.3
127.11172	2.2
129.06984	2.4
131.08575	2.2
133.06519	2.1
133.10133	31.6
135.08025	1.9
135.11699	56.1
137.05992	20.8
137.09618	25.3
137.13213	1.7
138.10440	1.8
139.11111	2.5
147.11700	6.5
149.05992	9.9
149.13263	7.8
151.07552	2.9
151.11203	12.8
151.14854	14.5
153.12740	2.5
161.06018	1.6
165.16409	2.4
166.06285	1.3
167.07056	29.5
170.99649	2.0
175.11258	2.4
175.14835	28.7
179.07117	2.9
181.08629	7.8
189.00893	1.4
191.03883	2.3
193.08643	4.3
193.12239	5.6
193.15913	18.2
208.57043	1.3
211.09590	3.8
211.13193	3.3
211.16805	6.2
212.11864	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03942	3.4
53.66925	0.8
55.01871	2.9
55.05511	2.0
56.96371	0.8
56.96574	8.9
57.03431	1.1
59.52724	0.8
61.02675	0.9
61.02936	9.2
65.03942	8.0
67.05505	3.3
69.03434	1.9
69.07047	2.3
70.06601	6.2
70.25039	4.0
72.08148	3.6
72.93792	0.8
73.02930	1.5
77.03909	1.3
79.05491	20.0
81.03410	2.1
81.07056	2.1
84.96001	1.0
85.02914	2.3
86.09686	2.9
88.07646	2.5
89.03911	1.9
91.05494	7.3
93.03395	7.8
93.07053	2.2
94.04192	1.2
95.04990	5.5
95.08615	1.5
97.02910	1.3
97.06545	1.6
98.20875	1.1
98.97607	7.2
103.05483	1.0
105.03403	2.7
105.04520	1.5
105.07063	1.3
107.04964	34.3
107.05699	1.6
107.08642	1.1
108.02097	3.8
109.02874	2.2
109.06553	1.5
110.03666	25.5
111.04450	15.8
116.07144	1.0
116.55083	0.9
116.98641	3.4
117.03375	2.3
119.04946	2.5
119.08634	1.0
121.02880	1.8
121.06516	12.8
121.10062	1.2
122.03639	8.5
123.04469	2.2
124.99184	1.0
125.05997	60.3
127.03909	2.5
130.96320	5.0
131.08543	0.8
133.02838	11.5
135.04430	29.6
135.08069	2.3
137.05951	5.3
139.03938	1.2
141.05473	4.6
143.00179	2.8
145.02863	2.4
148.97360	5.2
149.05988	18.3
150.03130	8.9
151.03920	100.0
151.05029	11.1
152.04263	1.2
153.05473	16.4
157.06416	1.7
158.99660	1.8
161.01241	3.2
162.03104	2.8
163.03922	7.8
163.07591	2.2
165.05482	35.4
167.03374	1.8
167.07043	25.0
177.05473	21.1
181.04907	1.1
185.05881	1.1
188.92441	1.1
189.00743	2.5
189.97626	2.0
195.06529	14.5
195.08200	1.4
195.10158	1.8
213.05705	4.4
213.07584	6.2
213.12755	1.6
214.48842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01865	0.8
55.05497	0.7
56.96566	8.3
57.03434	0.9
61.02911	0.7
65.03941	0.8
67.05483	0.6
69.03419	1.8
69.07044	0.7
69.41711	3.6
70.06240	0.5
70.06592	4.6
71.04992	0.7
72.08138	1.1
73.02898	1.2
75.04490	2.0
78.03468	1.1
79.05476	1.5
80.05013	0.6
81.03413	0.8
81.07043	0.8
82.02942	6.9
82.06551	0.4
83.04975	0.4
84.08129	0.9
84.96005	0.5
85.02895	1.5
86.09698	1.4
88.07619	0.6
91.05484	1.4
93.07014	0.7
94.02865	0.6
95.04960	0.6
95.08617	0.6
97.02892	1.6
98.06055	0.5
98.20929	1.8
98.97005	0.6
98.97591	8.9
101.00884	0.7
103.00601	0.4
103.05476	0.5
107.04967	2.1
108.04474	0.4
109.02851	1.3
109.06490	0.6
110.03649	1.1
110.07177	1.3
110.97554	1.0
111.04459	0.4
112.07619	5.1
112.99207	0.5
113.07941	2.1
116.07081	0.6
116.98637	3.8
119.01912	1.4
119.04952	0.4
120.04479	0.7
121.06507	2.7
122.02407	1.6
123.04395	0.6
124.99082	0.8
125.05978	1.5
127.03912	0.5
128.98599	1.4
130.08629	0.6
130.96313	1.3
131.04898	0.5
133.02858	0.6
134.99725	0.5
135.04434	0.9
136.03943	10.8
136.07545	0.5
137.05989	0.4
140.03450	3.9
140.04494	0.7
141.05640	0.5
142.04984	1.9
143.00165	1.5
144.15262	0.4
145.03551	0.5
146.99677	0.9
147.27400	0.4
148.97360	1.1
149.05997	3.2
150.56493	0.4
151.03929	2.9
151.04993	0.6
153.05476	1.2
154.05020	0.4
156.03314	1.0
157.03560	0.5
158.06612	1.5
158.99658	1.3
159.06761	4.4
161.01256	1.0
161.02888	0.4
163.03903	0.6
164.03424	3.6
165.05446	1.2
167.07042	5.0
168.07953	0.4
170.99658	0.7
171.06650	0.8
173.53087	0.6
174.04407	0.7
177.00694	1.5
177.05482	3.3
177.07820	1.6
181.04788	0.5
181.06165	0.8
181.37259	0.4
182.04500	43.0
183.04755	0.4
184.07576	1.0
186.04407	1.1
186.09186	0.8
189.00648	1.0
189.06389	0.5
189.07849	2.8
195.06508	0.6
196.06006	1.8
196.07562	0.9
204.05399	0.8
209.08107	0.5
213.08780	13.8
213.10443	0.7
213.12254	0.6
214.07111	100.0
215.07452	1.2
223.05432	0.5
231.08913	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	213.1487
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
50.39941	1.0
52.90270	0.9
53.03933	2.4
55.01877	16.4
55.05516	74.1
55.19175	0.9
57.07073	1.4
59.04998	2.4
67.05164	1.7
67.05507	30.1
69.03439	8.3
69.07079	14.4
69.38206	1.1
70.71394	3.4
71.05000	67.4
71.21785	1.4
79.05501	18.3
81.03419	2.2
81.07063	29.6
82.71257	1.1
83.04987	6.7
83.08624	49.4
84.40134	1.0
85.02927	1.0
85.06566	7.3
87.04474	10.3
89.82616	1.0
90.00707	0.9
91.05524	5.5
93.07056	17.0
95.04935	1.5
95.08617	10.0
97.06538	93.9
97.10177	68.1
101.06010	1.4
101.09644	3.2
105.07023	4.4
107.08602	22.7
109.06516	3.0
109.10162	14.4
111.08056	3.8
117.07007	4.7
119.08533	1.5
121.06538	2.1
121.10125	3.4
125.09637	38.4
131.08530	3.7
133.10136	4.9
135.08049	7.5
135.11722	6.0
143.10750	1.1
147.11685	1.6
149.09651	1.2
149.13217	3.5
153.09084	1.2
159.11734	5.6
167.14247	1.4
171.10246	1.5
171.11705	1.2
173.52357	1.1
177.12749	7.6
189.11195	6.2
195.13818	44.2
213.14856	100.0
214.15222	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	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.01878	8.9
55.05499	44.5
56.96563	73.1
57.03434	19.3
58.62788	8.1
59.04992	9.3
60.09198	9.7
63.02679	10.4
67.05515	64.7
67.51463	8.9
69.07066	44.3
69.35132	49.7
69.35554	32.2
71.04992	26.2
78.27039	8.5
79.05508	56.4
81.03397	13.1
81.07065	91.6
83.04964	10.4
83.08636	18.0
85.02921	11.2
85.06550	12.4
88.07619	41.0
91.05482	34.2
93.07055	64.8
95.04980	17.6
95.08616	32.2
97.06520	16.1
98.21503	17.3
98.97585	15.7
105.07038	33.3
107.04965	13.2
107.08584	42.0
109.10165	15.0
110.67135	9.2
111.08090	10.8
117.07034	14.7
119.08601	23.6
119.16522	9.1
121.06534	11.3
121.10147	33.9
126.38726	9.4
127.03944	9.1
128.06210	19.6
129.07028	45.4
131.08589	17.9
141.06985	13.3
142.07791	31.1
143.08583	29.9
145.10106	13.5
149.13274	18.0
155.08557	12.1
156.09348	20.0
157.10153	73.6
159.11613	15.4
161.07433	11.3
165.07121	12.7
167.07129	14.0
170.03659	41.2
171.11728	50.2
184.12556	9.6
185.07253	12.9
185.13263	12.8
195.06413	12.1
213.05397	96.0
213.10948	9.9
213.12943	65.2
213.14659	16.5
213.16406	100.0
231.09126	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03946	1.3
55.01871	3.3
55.05515	8.4
56.96572	17.3
57.03450	1.4
57.07071	2.7
65.03942	4.0
67.05505	5.1
69.03425	4.0
69.07074	12.4
69.27142	8.7
69.27549	2.0
70.06581	2.0
71.04987	3.9
73.02912	4.6
74.97601	1.3
79.05511	6.2
81.03402	2.3
81.07059	14.9
83.08620	9.8
84.96043	3.2
85.02908	2.2
85.06543	3.7
87.98012	1.2
88.07671	1.0
91.05486	100.0
92.05819	5.0
93.03419	2.1
93.07054	13.2
94.06564	1.7
95.04971	1.6
95.08614	28.4
96.01559	2.0
97.02898	3.6
97.06536	2.2
97.10160	5.4
97.25041	1.1
98.97583	14.9
99.08095	22.6
105.02058	1.1
105.07021	2.7
107.04964	2.5
107.08599	25.5
109.06569	1.7
109.10159	7.5
110.97549	1.7
111.08076	12.0
111.11798	1.2
112.99118	6.9
113.09664	3.6
116.98625	3.5
117.07047	1.0
119.06095	2.4
119.08601	2.1
120.06431	3.4
121.02866	30.1
121.10150	48.1
123.08093	1.6
124.99248	1.4
125.09615	4.5
125.13214	1.7
127.03921	2.5
128.98605	2.5
131.00194	11.1
134.03209	1.1
135.11728	8.0
137.13284	5.9
141.05486	3.0
143.00175	2.2
143.03575	2.3
146.99641	1.2
149.01233	13.3
149.13300	4.7
150.97028	2.1
152.35579	1.0
154.02040	3.2
155.03633	1.2
156.45572	1.1
161.01291	1.3
163.02611	3.7
164.04158	5.5
167.02348	2.9
167.07118	2.0
168.08235	1.0
168.98096	5.0
169.04996	4.3
170.99713	1.5
171.11693	1.3
172.03076	2.0
173.01259	2.9
177.00737	2.3
177.16394	61.8
185.07133	1.3
186.99168	5.9
189.00833	1.5
191.02289	4.9
193.08574	1.3
195.17479	8.3
203.02296	2.0
205.00206	1.6
211.02759	2.2
213.09122	1.7
213.12233	4.9
213.16628	1.4
213.18468	5.6
217.16071	1.1
219.01758	3.2
222.04668	1.5
229.03816	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01886	7.9
55.05518	21.3
56.96555	3.3
57.03434	3.0
57.07084	2.7
65.03943	1.2
67.05519	11.5
68.99770	1.8
69.03432	6.9
69.06721	1.4
69.07079	24.3
70.06577	3.6
70.65489	2.8
71.04995	8.5
72.08152	1.9
73.02877	1.2
77.66840	1.1
79.05508	15.7
80.48701	1.3
81.03431	6.7
81.07063	31.3
83.04981	2.8
83.08630	13.7
85.02925	9.8
85.06561	6.8
86.09721	2.0
86.41351	1.5
88.07625	2.6
91.05480	8.3
93.06464	1.4
93.07052	28.5
94.43283	1.3
95.04961	5.1
95.08614	42.8
97.02913	3.3
97.06533	4.5
97.10182	12.6
98.97597	6.7
99.04485	1.8
99.07467	2.0
99.08105	33.9
103.05515	1.5
105.07037	12.7
107.04970	13.2
107.08600	46.8
109.02893	5.9
109.06533	2.7
109.10165	15.7
110.03714	1.5
111.04470	2.2
111.08089	20.3
111.11727	2.3
113.09648	3.2
116.98647	2.2
119.04948	2.7
119.08575	5.1
121.02866	2.0
121.06528	2.0
121.10159	79.7
123.04428	3.6
123.08071	3.0
123.11728	4.3
124.86062	1.5
125.06003	5.4
125.09636	8.2
125.13250	1.3
127.03931	14.4
128.06235	3.5
129.06990	5.3
131.08565	3.8
133.10150	2.2
135.08089	3.3
135.11696	13.5
137.09636	1.8
137.13263	10.5
139.11174	3.8
141.05484	2.3
142.07777	3.7
143.08615	5.8
149.09644	9.4
149.13312	6.5
151.03896	3.6
152.06319	1.6
153.05466	2.8
153.06982	1.3
153.12744	2.3
155.07196	1.5
155.08553	2.4
156.09343	3.0
157.06496	1.7
157.10144	10.2
159.11546	1.3
163.03970	1.5
163.07553	3.7
165.07033	2.3
167.07092	15.7
167.08539	3.5
169.10136	1.2
170.07379	1.7
171.08136	1.5
171.11725	7.4
177.00667	1.4
177.09096	4.0
177.16402	100.0
181.05003	1.8
184.05182	3.9
185.05887	1.7
185.09607	2.9
185.13295	2.7
195.06506	1.5
195.08115	3.1
195.10147	3.3
195.13794	3.0
195.17476	14.0
213.03889	3.4
213.07100	2.0
213.09138	10.3
213.11021	2.4
213.12753	5.7
213.14696	1.6
213.16393	14.8
213.18515	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03914	2.1
55.01864	5.0
55.05513	16.1
56.96570	8.0
57.03421	3.5
57.07068	4.0
62.91513	0.9
65.03945	1.6
67.05512	9.0
68.99773	1.2
69.03439	5.2
69.06717	1.5
69.07068	23.8
70.06567	3.0
70.46594	2.0
70.46980	2.2
71.04986	7.4
79.05048	1.1
79.05490	13.2
81.03391	2.9
81.07060	27.6
83.04974	2.4
83.08617	11.6
85.02906	1.9
85.06541	6.8
86.09698	1.7
88.07645	1.9
90.07700	1.0
91.05479	9.3
93.07048	22.3
95.04982	2.5
95.08611	46.9
97.02891	2.8
97.06519	4.8
97.10161	9.8
98.97584	12.4
99.04454	2.3
99.08098	34.3
103.05453	1.6
105.07036	9.0
107.04959	5.9
107.08595	43.3
109.02842	1.6
109.06532	4.9
109.10157	17.2
110.03675	1.3
110.97589	1.5
111.02082	1.0
111.04405	1.6
111.08080	19.9
113.09632	3.8
115.05415	1.0
116.98642	5.2
117.07032	1.2
119.08579	5.1
121.06514	2.7
121.10147	72.2
123.04397	1.2
123.08061	2.2
123.11673	3.0
125.05981	3.4
125.09641	7.7
127.03912	4.1
128.06210	3.4
128.98642	1.3
129.07008	4.8
131.00142	0.9
131.08563	2.6
132.04385	1.8
133.10147	1.9
134.99594	1.8
135.04401	2.2
135.08052	1.7
135.11691	14.1
137.05980	1.7
137.09549	1.1
137.13251	9.9
139.03886	2.0
139.11157	3.1
140.04662	1.4
141.05460	1.5
141.07030	1.5
142.07782	3.6
143.08572	5.4
145.10098	1.1
146.77818	0.9
147.08194	1.0
147.11665	1.0
149.09599	4.7
149.13249	6.0
151.03889	4.1
152.06152	1.2
153.05466	4.0
154.06252	5.5
154.07358	0.8
155.07321	0.8
155.08559	2.0
156.09311	2.3
157.06483	1.4
157.10144	8.8
158.99614	1.2
159.11682	2.0
161.01233	0.9
163.03854	1.1
163.07500	1.3
165.03072	1.4
165.05484	1.0
165.07014	1.6
166.02614	0.9
167.07030	4.7
167.08589	3.5
167.10715	1.0
170.07271	1.1
171.08075	1.4
171.11658	7.4
177.00737	2.3
177.09106	3.5
177.16386	100.0
178.16670	2.3
181.04944	6.6
184.05133	2.3
185.07199	2.2
185.09616	3.0
185.13246	2.7
195.06534	2.2
195.08151	2.4
195.10155	4.0
195.11784	1.4
195.13768	1.5
195.17465	15.0
199.03305	0.9
213.05475	3.3
213.09277	4.8
213.12895	4.9
213.16359	17.3
213.18494	12.1
231.06519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50552	0.9
53.10236	1.0
53.75392	0.9
56.96574	10.3
58.06601	1.1
62.36069	0.7
63.24030	0.8
69.03403	1.2
69.07069	7.3
69.96208	1.4
69.96604	2.8
70.06598	5.7
72.08147	1.6
73.02921	1.5
81.71227	0.9
82.99434	1.0
82.99805	4.3
84.08136	2.8
85.07648	1.2
86.09712	99.8
97.02910	1.0
97.06535	10.4
98.21091	2.4
98.97574	8.1
100.02477	2.6
100.99149	1.7
101.00887	40.3
104.20714	0.9
109.07575	1.2
110.97557	2.0
111.76524	1.0
112.02464	1.9
112.07590	2.1
113.00838	2.3
116.98610	2.5
118.03517	7.9
119.01929	100.0
120.02016	2.6
120.03230	0.9
126.04015	1.2
130.03519	3.0
131.01941	6.2
133.03474	1.4
136.04535	1.3
137.02971	18.7
142.03485	1.8
142.64180	0.9
143.01952	1.9
144.05070	2.5
144.08716	2.6
145.03506	1.7
146.99536	1.0
149.02925	1.5
154.03529	2.5
155.05498	2.3
159.06834	1.1
161.02901	1.3
162.09727	2.3
162.99165	1.1
168.08688	7.0
172.04485	5.0
172.08221	1.1
173.03009	2.2
173.06595	3.2
181.79842	1.0
186.09770	71.6
187.09892	1.2
190.98599	1.9
191.03958	2.2
191.07687	1.1
196.08141	2.8
197.06656	4.9
204.10835	22.5
206.17197	1.3
208.99750	2.2
209.11394	1.3
214.03857	2.2
214.09253	36.7
215.07692	5.6
232.10326	72.3
233.08713	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	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89045	1.2
53.03944	2.7
54.42968	1.2
55.01872	1.2
55.05262	2.9
55.05518	51.9
57.03440	2.4
57.07071	2.7
61.52942	1.2
67.05512	29.5
69.03413	1.4
69.07073	50.4
69.36641	9.1
70.06597	1.8
71.04990	6.5
73.06554	3.4
79.05494	15.5
81.07065	79.9
83.04970	6.6
83.08629	39.7
84.08135	2.2
85.02872	1.3
85.06543	5.7
91.05494	15.2
93.07052	20.6
95.04985	1.9
95.08616	100.0
97.06544	15.6
97.10197	12.4
98.97583	3.8
99.08103	3.9
101.06023	2.3
105.07044	20.2
107.08614	9.4
108.70415	1.2
109.06525	3.6
109.10156	8.3
111.08081	5.2
114.10066	1.3
115.07574	4.0
119.08597	28.7
121.10144	8.9
122.10482	1.3
123.08076	9.7
127.07581	2.2
131.08553	1.8
133.10149	19.0
135.11708	13.3
137.09633	5.3
137.13261	17.0
141.09065	1.4
149.13370	2.1
161.13271	43.2
173.02328	3.3
177.00790	1.8
179.14326	11.7
183.38885	1.2
196.16959	16.3
214.18050	65.4
215.06918	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	215.1643
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05518	23.8
56.96563	5.3
59.97315	4.1
61.04045	6.2
67.05515	40.9
69.07068	40.2
70.06567	4.3
71.04980	18.6
71.60165	6.3
74.09701	6.4
75.92028	4.7
77.26582	4.4
79.05493	19.0
81.07056	85.3
83.04942	4.7
83.08617	28.0
85.06567	21.8
90.94807	5.2
91.05494	23.1
91.62225	4.3
93.07062	31.6
95.08612	100.0
97.06548	26.7
97.10161	6.9
99.08109	8.5
104.41235	5.3
105.07050	24.1
107.08577	21.7
109.10143	10.6
117.06995	10.6
119.08588	46.9
121.10145	14.5
123.08067	10.7
126.09145	8.0
128.14349	23.9
131.08542	14.6
132.95935	11.3
133.10118	27.8
135.11699	22.2
137.13255	22.9
141.07018	6.6
145.10159	15.2
150.96899	18.5
159.08041	6.0
159.11685	14.0
161.13272	77.8
173.09537	4.6
173.13234	7.9
179.14323	33.7
187.11212	5.8
187.14783	5.3
190.95430	7.8
191.11824	5.4
197.15105	7.0
198.11288	11.2
215.10629	10.5
215.14323	28.3
215.17667	47.3
216.12292	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	216.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	10.9
57.03438	1.0
58.06601	23.7
59.07386	1.0
61.02927	0.7
61.70325	0.6
69.03424	0.8
69.07050	1.1
69.94350	2.4
69.94775	1.3
70.06579	2.1
71.95263	1.1
72.96053	3.0
73.02923	1.2
73.08879	0.6
74.09721	68.1
84.08125	1.4
84.96040	0.7
85.02895	1.1
86.06107	0.6
86.09704	6.4
97.02885	1.5
97.06533	1.0
97.96827	1.4
98.97585	89.7
100.07620	9.0
101.00878	2.5
102.00962	0.7
103.00641	2.6
106.40035	0.6
110.97574	0.8
112.99123	2.6
113.03394	0.7
116.98624	30.2
119.01926	3.3
120.01968	2.2
120.03276	0.8
121.01680	8.0
126.09132	0.7
128.98593	1.0
131.00157	1.3
131.01871	1.6
133.01649	0.7
134.99663	5.0
138.03067	0.7
139.02701	1.4
142.01788	6.0
145.03458	2.1
149.05966	0.8
155.07047	0.8
157.95697	0.6
159.06882	1.2
160.02866	4.5
161.02808	0.8
167.07047	1.5
172.99937	2.1
174.04417	6.6
176.05968	0.9
188.09406	4.1
189.03552	0.8
191.00964	1.0
192.05447	3.7
199.14458	1.3
216.05441	100.0
216.12279	1.8
216.17064	0.9
217.05727	1.5
234.06506	41.5
234.09900	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	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03940	1.8
55.01854	2.6
55.05514	45.1
56.10489	1.3
56.96558	1.3
57.07064	2.1
59.04997	4.9
65.03934	2.1
67.05206	1.8
67.05508	17.6
69.03419	6.1
69.07069	10.5
70.74834	1.5
70.75174	3.1
71.04985	1.5
73.02914	3.1
79.05496	13.9
81.03389	2.2
81.07057	20.3
83.04987	61.6
83.08601	4.3
85.06541	5.5
87.04463	7.1
89.02385	5.3
89.06043	10.7
91.05486	22.3
93.07053	27.7
95.04974	27.4
95.08040	2.3
95.08613	33.7
97.06521	5.9
99.04433	2.8
101.06021	23.7
103.05471	2.3
105.07038	47.1
107.04948	2.4
107.08604	21.8
109.06527	12.9
109.10169	13.1
111.04453	86.6
111.08099	6.7
113.06009	10.5
115.05470	2.0
117.07008	8.3
119.08585	36.6
121.06534	11.6
121.10159	51.0
123.08087	7.6
123.11777	2.7
125.78272	1.4
127.07576	12.7
128.06227	5.0
129.05489	17.6
129.07004	7.3
131.08569	10.1
133.06483	2.3
133.07550	1.3
133.10146	23.5
135.08038	5.0
135.11681	4.3
137.05966	2.2
137.09601	2.8
142.07779	5.9
143.08577	13.6
144.09398	1.6
145.10068	8.0
147.08099	8.7
147.11694	11.3
149.09599	1.8
153.43086	1.7
155.07042	100.0
156.05734	7.2
156.09357	3.9
157.10144	19.1
159.11679	10.0
161.05937	2.1
161.09630	14.4
161.13245	4.7
171.11685	5.5
173.08112	59.3
173.13289	9.1
174.18616	3.1
175.11208	8.5
175.14787	5.9
179.95200	1.3
184.12473	1.7
185.06140	1.6
189.09074	3.1
189.12740	5.5
189.16403	14.6
199.09651	5.1
199.11401	3.5
199.14836	25.8
217.05019	3.9
217.08611	11.3
217.10695	53.6
217.12486	9.5
217.15875	75.6
217.19487	6.7
220.70912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
50.26029	0.9
55.05518	7.4
67.05512	11.6
69.07072	11.6
70.78034	1.5
70.78365	2.2
73.69564	1.0
79.05503	5.2
81.07061	17.8
83.04959	5.4
83.08610	2.7
87.04456	1.7
91.05490	5.7
93.07030	9.4
95.08611	45.4
101.06023	2.9
105.07044	26.1
106.71056	1.0
107.08604	27.0
109.10166	32.6
111.04445	8.7
113.06070	1.1
119.08582	22.4
121.10154	27.1
123.11712	13.9
129.05527	2.3
133.10141	14.0
135.11694	7.1
137.13232	1.8
147.11694	26.4
149.13287	3.2
155.07019	13.5
159.11723	2.6
161.13263	33.8
173.08133	8.0
175.14796	7.3
189.16362	5.0
217.10590	13.4
217.12508	1.5
217.19530	100.0
218.19760	2.1
230.52473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88305	12.3
55.33432	10.9
60.04521	20.4
66.02518	11.5
69.40706	100.0
69.42472	12.6
72.08150	35.9
78.94157	12.6
79.12660	12.1
84.29408	12.6
86.09715	99.4
98.21502	24.7
113.32228	11.9
113.49703	13.7
119.01886	18.2
132.10223	20.5
150.61649	13.1
163.03935	18.3
190.79814	11.0
191.02261	12.9
196.00990	15.9
203.14314	22.6
219.02730	14.6
219.17441	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31965	76.0
54.92416	76.5
58.94333	70.3
65.53706	68.2
68.94262	73.6
71.49842	100.0
101.53576	71.6
118.08697	76.9
169.81459	81.0
234.17465	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.3
55.05508	1.5
56.96546	3.8
57.07072	1.3
57.62823	1.2
59.05014	1.6
60.04512	2.8
61.02634	1.4
61.02928	22.4
69.07049	1.5
70.84137	2.1
71.01359	38.7
72.08161	1.5
73.02924	1.9
75.04482	60.7
78.77368	1.1
80.30004	1.1
81.07042	1.5
84.99249	2.2
86.09690	1.5
87.04469	19.9
87.27020	1.2
89.02396	8.8
90.05574	5.8
91.05451	1.4
98.97570	7.8
101.06029	2.0
103.03944	76.2
104.62969	1.2
105.06998	1.6
109.03048	1.0
111.04427	1.8
116.98621	2.3
117.03328	1.5
119.08545	1.9
121.10139	2.3
131.03416	13.9
132.10179	1.4
133.10136	2.7
135.04382	1.7
143.00111	1.2
145.10077	2.2
146.05943	1.8
157.07602	1.1
159.02893	100.0
161.04547	2.0
163.03906	5.7
172.94199	2.6
184.09599	1.6
187.02383	12.7
203.14380	8.9
219.03069	1.8
219.04927	9.3
219.06708	1.8
219.17442	37.6
219.95224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
55.05513	1.4
55.62240	1.0
56.96561	5.0
59.05005	2.1
60.04524	2.2
61.02927	23.2
69.07072	1.4
70.06584	1.8
70.75615	2.5
70.75964	1.3
71.01360	38.4
71.20035	1.0
72.08127	1.1
73.02911	1.6
75.04485	56.5
79.05482	1.1
81.07062	1.7
84.99263	1.8
86.09709	2.7
87.03979	1.5
87.04475	19.4
89.02393	9.7
90.05534	3.0
91.05486	2.4
95.04959	1.3
97.02900	1.4
98.97603	8.3
101.05989	1.5
103.03947	76.0
105.07067	2.4
113.46191	1.2
116.03444	1.0
116.98602	3.2
119.08578	3.3
121.10153	1.3
129.06992	1.5
131.03395	13.0
132.04433	1.2
132.10194	1.8
133.06477	1.2
136.92175	1.3
140.40196	1.0
145.06555	1.5
159.02898	100.0
163.03908	3.3
172.94269	2.6
187.02382	9.6
203.14284	13.9
219.04951	8.7
219.06772	2.1
219.15411	2.3
219.17462	35.9
219.19615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05541	0.6
55.59751	0.6
56.96570	1.5
59.86659	0.6
60.04526	100.0
66.09987	0.7
69.07061	1.0
70.06628	0.6
71.54450	1.2
72.04525	0.6
72.08158	0.8
85.02906	1.1
86.09705	73.1
87.05578	4.2
98.06027	0.6
98.81473	0.6
98.97594	4.7
107.49014	0.5
116.98668	1.4
119.08617	1.1
121.10125	0.7
126.09218	0.8
128.10710	3.0
132.10205	48.2
135.04454	0.8
145.06502	0.6
158.11809	2.0
158.99684	0.7
163.03964	1.2
172.09741	0.9
173.12866	25.1
177.00734	0.7
181.47455	0.7
201.12347	4.5
203.14412	1.8
219.06801	0.6
219.11385	1.1
219.13391	8.4
219.17432	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	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.21240	0.6
55.01865	1.0
55.05517	4.7
56.96579	4.9
57.07064	1.5
59.04993	2.2
67.05510	7.8
69.03427	1.4
69.07071	24.1
69.39326	6.2
71.04995	3.2
71.08611	0.7
79.05485	6.0
81.07059	11.5
83.04978	1.3
83.08636	4.1
85.06546	2.4
91.05472	5.7
93.07056	12.4
95.04965	2.8
95.08032	1.4
95.08611	17.0
97.06526	1.6
97.10194	1.3
105.07033	16.2
107.04931	1.3
107.08593	17.5
109.06538	4.0
109.07156	0.7
109.10162	16.1
111.08067	2.9
117.06999	2.5
119.07770	1.3
119.08588	17.6
121.04053	0.8
121.06509	1.8
121.10158	17.1
123.08080	2.7
123.11727	5.4
123.12586	1.0
125.09620	1.9
129.07022	0.9
130.07761	1.5
131.08577	5.8
133.10126	8.6
135.08089	5.3
135.11691	11.4
137.09624	7.4
137.13213	0.9
143.08537	0.7
144.09271	0.9
145.10124	15.0
147.11684	3.6
148.83002	0.7
149.09616	6.7
149.13272	2.7
151.11203	2.1
154.93195	2.2
157.72484	0.7
159.11700	7.6
160.12474	0.9
161.09595	1.5
161.13271	9.2
163.11195	14.0
163.14838	1.3
172.94217	7.0
173.09705	0.8
173.13280	2.6
175.14844	7.0
177.12766	2.1
177.16383	1.0
182.16161	0.8
190.95322	5.7
191.17969	5.8
195.95860	1.6
201.16393	13.3
203.14342	10.0
213.96935	1.6
219.17445	100.0
220.17697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03936	3.7
55.01867	1.5
55.05510	100.0
56.05838	0.9
56.96570	5.8
57.03418	1.5
57.07072	4.8
58.21339	0.8
65.65353	0.8
67.05501	8.5
69.03407	1.2
69.07076	10.1
69.81486	0.8
70.06572	3.0
70.89732	1.2
70.90041	1.2
71.04978	1.9
71.06921	1.4
71.08619	1.7
73.06549	1.3
79.05491	8.8
81.03384	1.4
81.07055	26.1
83.04974	4.6
83.08600	2.3
85.06553	2.0
88.07614	3.2
89.07946	3.0
90.65427	0.8
91.05474	13.2
93.07043	28.8
95.04958	2.8
95.08602	18.2
97.06516	2.5
97.10165	1.6
98.97582	7.3
102.09196	1.5
103.05448	2.1
105.07026	22.9
106.08656	2.0
107.08574	19.7
109.06523	5.4
109.10153	20.5
111.08054	2.7
115.05463	4.7
116.06220	2.0
116.98621	3.7
117.07035	5.6
119.04928	1.5
119.08579	17.6
121.06517	4.6
121.10143	26.9
123.08056	3.1
123.11735	4.4
125.09603	2.4
128.06207	2.6
129.07018	6.5
130.04109	0.9
130.07788	1.3
131.04913	2.6
131.08572	16.1
133.06458	0.9
133.10129	13.3
134.99661	1.0
135.08069	6.5
135.11702	15.9
137.09694	0.9
137.13228	2.7
141.06970	5.6
143.08534	2.5
144.05684	3.9
144.09311	1.0
145.06439	2.9
145.10120	24.6
146.07245	1.7
146.10844	1.4
147.04420	3.5
147.11700	6.4
149.09624	3.8
149.13245	2.9
151.11197	2.2
154.93095	1.9
157.06459	3.8
157.10144	1.2
158.07315	2.7
158.99654	1.2
159.04404	1.9
159.08041	8.9
159.11693	17.6
160.05136	1.4
161.09552	2.3
161.13255	12.4
163.11192	9.2
164.11984	2.2
168.43413	0.9
169.06468	2.8
172.05083	0.9
172.94266	4.0
173.05905	1.8
173.09583	1.4
173.13226	4.1
174.06793	7.7
175.07524	3.2
175.14835	4.7
176.04790	0.9
177.09062	1.5
177.12729	1.9
177.16464	2.1
183.11568	1.1
186.06682	2.1
187.07513	4.7
189.09085	7.9
190.95302	3.2
191.07097	1.1
191.10664	0.9
191.14351	1.8
191.17973	5.4
195.95860	1.3
201.05338	1.1
201.09126	3.8
201.12796	2.6
201.16365	15.5
201.20364	2.5
203.14304	14.7
206.13393	0.9
213.96953	1.0
219.02998	0.9
219.06505	4.5
219.10126	14.0
219.13838	4.5
219.17435	91.9
219.21440	34.6
220.17764	1.2
221.27515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05517	3.4
56.01387	0.9
56.96566	1.5
57.07075	7.0
59.05003	4.9
59.08609	0.7
61.02925	1.5
67.05510	7.6
69.03432	1.2
69.07078	6.5
69.94219	2.4
69.94630	1.6
70.02953	7.9
70.06589	1.7
71.01337	1.1
72.01697	0.7
72.04520	16.6
72.08169	3.9
73.02917	4.7
74.02464	1.9
75.04501	0.8
81.07064	1.5
83.04983	1.7
84.04546	0.9
85.06550	10.8
86.06078	1.8
86.09708	2.2
87.04465	7.4
87.08109	2.1
90.05558	100.0
91.05477	1.7
95.04960	6.9
96.04491	1.9
96.08137	2.7
98.02416	17.1
98.06058	11.6
98.97581	2.7
100.04001	3.3
103.03973	1.1
103.07597	8.9
104.04280	0.8
105.07040	0.9
105.99294	0.7
107.04958	3.5
110.07147	0.8
113.06011	3.3
116.03469	14.7
117.06996	0.7
119.08566	1.0
124.05240	0.8
124.07599	20.7
125.06083	0.7
131.04936	0.8
131.07097	1.3
131.08540	1.0
133.06502	2.2
140.10712	8.3
142.08658	8.3
144.05690	1.2
145.06467	0.9
147.08008	2.3
156.10162	1.2
157.06522	2.0
158.11780	28.7
158.53261	0.7
159.02927	0.9
159.08061	1.1
160.03232	2.6
160.09689	2.7
166.08655	2.8
174.09030	1.0
174.11293	2.2
175.07570	1.2
177.12659	0.9
184.08112	1.4
184.09700	21.4
185.05824	1.2
192.06503	1.3
202.08842	1.1
202.10738	29.9
202.14362	3.5
204.14658	1.3
205.15892	4.3
220.09874	1.6
220.11797	30.0
220.15446	3.2
220.17627	4.9
221.08044	2.0
237.96837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01878	1.3
55.05509	0.8
56.92611	0.6
57.07076	7.0
59.05009	6.5
60.77285	0.8
63.71250	0.7
67.05510	7.2
69.07076	5.2
70.02959	7.7
70.75711	2.0
72.04520	17.5
73.02919	4.1
74.02435	2.0
83.04984	1.3
85.00156	0.7
85.06548	10.7
86.09705	1.5
87.08105	2.3
90.05559	100.0
94.88441	0.7
95.04982	8.1
96.08129	1.9
98.02418	16.8
98.97638	0.7
100.03989	2.3
103.07584	8.6
113.06020	3.9
113.67409	0.8
116.03470	13.3
118.25272	0.7
124.07589	19.2
130.06554	1.8
131.07022	0.9
140.10687	1.1
142.08649	8.2
146.06044	1.2
146.99478	0.8
156.10220	1.5
158.06052	2.1
158.11768	3.2
160.09723	2.3
163.03941	0.9
166.08644	2.8
174.11339	1.4
175.08676	1.9
184.09695	19.3
202.10760	24.9
205.15950	1.6
220.11806	24.8
220.17796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1334
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.05496	0.7
56.96570	2.4
57.03430	1.1
57.07059	0.8
58.99581	0.8
62.98353	0.4
67.05504	1.0
69.03413	0.7
69.07076	0.5
69.91932	1.6
70.06583	0.6
70.75690	0.4
72.08155	1.6
76.02235	0.7
79.05499	1.4
80.05000	0.5
81.03404	0.7
81.07072	4.7
84.04527	0.8
85.01108	0.5
85.02898	0.9
86.00657	0.6
86.09708	0.8
86.99063	0.5
87.02693	1.5
87.04472	67.9
87.30955	0.5
90.05544	1.3
91.05492	1.0
92.05005	0.5
93.07041	1.1
95.08620	0.5
97.02919	0.5
98.97594	4.9
99.08098	0.7
102.03805	0.6
105.00070	0.4
105.07042	2.0
106.07323	0.5
107.04972	0.9
107.08575	0.7
109.02901	0.6
109.06517	0.6
109.60766	0.5
115.05465	1.3
116.98629	2.0
117.07034	1.6
118.06551	7.2
119.04942	0.6
119.07335	7.0
119.08607	0.5
121.02798	0.4
121.10141	0.6
122.02735	1.3
130.06506	0.5
131.00084	0.5
131.01692	0.6
131.04982	0.6
132.01147	0.8
132.08083	1.4
133.06511	1.1
133.10101	0.4
134.09660	100.0
134.99675	0.9
135.04410	0.5
136.06198	3.9
137.05960	0.7
143.04895	0.6
145.02849	0.5
146.05931	0.4
146.99564	0.5
147.04448	0.6
148.04280	1.5
158.06094	0.5
158.99660	0.9
159.04794	0.5
159.06888	0.6
160.07584	0.5
161.06035	1.3
161.09555	0.6
163.03934	2.6
174.09113	1.0
175.08731	0.5
177.00731	1.0
177.12769	0.8
192.06534	1.2
202.08907	2.1
202.12280	0.5
203.07372	0.6
204.06482	0.4
204.14764	2.0
205.15895	7.3
220.09831	2.1
220.13358	74.5
220.17778	6.8
221.04361	0.8
221.07950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.51015	0.1
67.05490	0.1
69.51591	0.7
69.52001	0.2
73.31683	0.1
81.07053	0.2
88.96420	0.1
91.05441	0.2
98.20709	0.2
98.97552	0.1
103.05479	0.2
105.07034	0.2
106.06552	0.3
117.07069	0.1
118.06545	10.1
119.07291	0.4
119.08553	0.2
120.08097	0.2
124.52402	0.1
130.06508	0.2
131.04903	0.7
132.08087	3.1
133.08881	1.3
134.09642	0.7
144.08067	0.2
146.09647	3.0
147.10388	0.3
148.11130	0.1
150.98294	0.1
154.26381	0.1
154.96039	0.1
160.11205	0.5
161.11931	0.2
162.09143	5.9
163.09908	0.2
176.10770	4.0
176.14345	27.8
177.11488	1.3
177.14694	0.4
178.12221	0.1
189.15114	0.3
190.12270	2.7
191.12885	0.2
202.15840	0.7
204.13847	0.4
205.15889	0.4
220.16965	100.0
221.17336	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87597	1.0
53.03949	3.8
55.05519	7.9
56.96573	59.1
57.03438	1.0
57.07075	1.9
58.83181	0.9
59.05001	1.1
67.05510	9.8
69.07072	9.5
69.08979	0.9
71.04999	3.0
71.61092	1.6
71.94919	0.9
71.95271	5.0
72.96053	2.8
74.82903	1.0
74.97641	1.1
79.05500	35.0
81.07063	25.3
83.04992	1.7
83.08624	4.0
84.96041	3.4
85.06565	1.8
91.05487	27.3
93.07056	63.8
93.12783	1.1
95.04984	6.5
95.08617	11.6
97.06558	1.8
97.96802	1.4
98.06009	1.0
98.97630	1.2
103.05507	1.2
105.03374	1.1
105.04509	2.4
105.07042	21.3
107.04965	1.0
107.08602	44.1
109.06526	5.1
109.10171	2.7
111.08074	1.8
115.28900	0.9
117.07024	3.6
119.04980	1.2
119.07771	1.7
119.08598	22.8
121.06519	2.6
121.10184	10.5
123.08083	3.5
124.11265	1.7
125.09628	1.1
128.06258	1.3
128.98645	1.7
129.07021	3.0
131.08580	4.4
133.02884	2.4
133.06485	1.3
133.10133	8.8
135.08051	1.4
135.11653	1.3
137.09601	1.7
139.00681	1.7
143.08589	3.9
145.10109	1.1
146.99719	1.1
147.04457	2.5
147.08043	2.2
147.11703	4.0
153.09109	1.0
157.01723	13.4
157.10153	2.4
159.11687	5.9
161.09688	4.2
161.13286	16.5
165.05453	1.1
165.09149	2.0
175.02802	100.0
175.11203	3.2
175.14813	4.8
176.98170	1.0
179.03442	2.1
179.10707	1.8
185.13260	8.8
192.94897	2.2
193.03853	45.0
198.04396	11.2
203.14336	6.1
203.17982	1.7
206.10918	1.6
206.16249	2.2
216.05492	3.3
221.04396	9.2
221.07947	2.0
221.11688	2.3
221.13422	1.7
221.15356	22.0
221.17999	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	221.081
Annotation	2,6-Dioxo-6-phenylhexanoate
Peak:m/z	Relative Intensity
51.02372	1.2
53.03933	2.3
55.01847	1.7
55.05504	2.3
56.96565	2.8
57.03430	1.9
57.07074	1.5
63.63010	1.3
65.03915	1.3
67.05484	1.9
69.03418	1.5
69.07024	1.4
69.75232	7.7
79.05482	4.6
81.03426	2.8
81.07051	2.6
84.96066	1.2
87.06378	1.4
90.05549	6.3
91.04964	1.5
91.05477	27.6
91.05992	2.0
93.07023	2.3
93.85893	1.3
95.04963	4.2
95.08641	1.6
96.13254	1.2
98.06108	1.8
98.21461	2.6
98.97562	3.9
103.05464	5.0
105.07040	24.6
107.04961	100.0
111.08068	2.4
115.05469	13.2
116.06248	6.2
117.07041	7.9
119.04937	3.7
119.08585	15.4
121.02852	3.7
121.06458	2.8
123.04414	2.8
127.05351	1.7
127.53169	1.2
128.06203	5.1
129.06999	13.1
130.06535	7.3
131.04933	21.8
131.08582	37.8
132.04437	4.8
132.05722	9.4
133.06497	62.7
135.07996	1.7
137.05946	3.6
141.07001	17.2
141.11008	1.3
144.05716	34.5
145.06482	18.6
147.04439	2.3
147.08055	72.5
149.05951	5.3
155.06015	3.1
157.06499	47.0
157.07607	3.2
158.05988	9.4
158.07240	2.7
158.11732	1.8
159.04398	4.9
159.08044	30.9
159.12099	7.2
160.05180	8.9
161.05997	17.2
163.07536	3.2
169.07657	9.1
173.05992	4.0
175.03909	4.2
175.07510	22.2
175.08733	10.0
185.05983	8.5
203.06937	13.9
203.11061	2.9
204.06531	3.4
221.04480	4.8
221.08063	93.8
221.11855	3.8
221.15453	2.7
222.08351	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	221.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03938	0.7
55.01866	1.8
55.05506	2.2
56.05037	0.7
56.96571	5.2
57.03435	2.4
57.07082	1.2
58.06582	1.3
58.99840	0.6
59.12439	0.5
60.04526	1.4
60.08158	4.4
61.02934	4.3
65.03954	1.1
67.05499	2.3
69.03428	3.9
69.07051	1.1
69.57647	1.0
69.58059	3.2
70.06590	2.4
71.04991	1.1
72.08156	4.5
72.74085	0.5
73.02921	5.5
74.02456	1.4
74.06075	2.0
77.00848	0.8
79.01282	0.6
79.05495	1.9
81.03413	1.0
81.07057	2.5
82.02949	1.4
83.05004	0.9
83.08643	0.9
84.04506	1.3
84.08154	1.8
85.02906	4.9
86.09717	0.9
87.04451	1.3
88.20954	0.6
89.50962	0.6
91.05463	5.1
93.07043	1.4
94.06570	4.8
95.01318	1.0
95.04963	1.0
95.08614	1.6
97.02898	7.0
98.20738	1.3
98.97596	8.7
99.04446	1.0
100.02480	1.1
100.97181	0.6
101.00881	3.6
102.96859	0.7
103.02391	0.7
103.05486	1.3
104.10748	100.0
105.03410	1.4
105.07039	2.1
107.04958	5.0
107.08588	1.8
109.02850	1.2
109.06483	1.4
109.10134	1.6
109.37825	0.6
110.07161	2.4
110.97574	1.6
111.02937	0.7
111.04453	0.8
111.08104	2.6
113.00890	1.8
115.01336	0.6
115.02433	1.4
115.05495	1.2
116.98629	5.1
117.02000	1.0
118.06512	0.7
119.01942	6.9
119.04937	2.6
119.08605	1.4
120.02118	0.8
120.05286	0.9
120.08076	1.6
121.01672	2.9
121.02866	1.3
121.05734	0.7
121.06487	3.3
122.03643	1.1
123.08062	0.8
124.01853	0.9
124.12703	0.6
127.03932	1.8
128.02376	1.0
128.98599	1.7
130.06535	70.7
131.00108	0.7
131.01935	4.1
131.04913	1.1
131.06877	1.1
132.04459	44.3
133.03448	2.0
133.06493	1.7
133.07654	0.5
133.10149	1.5
134.03593	0.7
134.06044	0.8
134.99637	1.9
135.03236	2.6
135.08064	0.9
136.07605	1.6
137.02971	1.4
137.05978	12.9
137.07027	0.9
137.09691	0.8
138.05273	0.6
138.06369	1.7
139.02568	0.7
141.05392	0.8
143.00148	1.3
143.01907	2.6
145.01678	0.8
145.03432	1.7
145.06509	0.6
146.06052	0.8
146.99673	0.8
147.03253	1.0
147.04410	5.0
147.08025	1.5
147.09157	1.2
148.07536	2.8
148.54803	0.8
149.01195	0.8
149.03009	0.9
149.04590	2.3
151.07542	0.7
153.09096	0.6
154.03632	1.0
155.01886	2.2
155.54810	0.7
156.05060	0.7
156.97455	6.6
157.01678	1.0
157.03426	1.6
157.07619	37.6
158.06021	80.7
158.99614	1.0
159.06424	1.4
161.01302	0.7
161.02943	5.4
161.04393	0.9
161.05911	1.3
162.05489	1.0
163.02684	1.5
163.03894	0.8
164.07152	0.8
165.05484	1.1
165.09093	1.3
169.03381	0.8
170.05032	1.0
171.01393	0.8
171.05391	1.0
173.02963	3.9
174.05527	0.8
174.98485	4.1
175.00945	1.0
175.02716	2.5
175.08684	98.7
175.14825	1.6
176.07007	3.5
177.00714	1.2
177.04126	0.8
179.03485	1.7
179.05530	1.6
179.07031	1.7
181.05064	0.9
183.05130	1.0
185.01511	0.6
185.02989	2.4
185.07027	1.0
186.05522	2.6
189.02469	1.2
191.03938	1.4
191.05525	0.7
192.06554	1.5
193.01941	0.6
193.15869	1.5
195.05049	1.5
197.03055	0.8
197.04813	1.2
198.02541	0.8
198.04422	1.2
198.06143	1.3
198.98465	1.1
203.03969	1.9
203.08186	14.6
203.10970	0.6
204.06535	6.2
206.16171	0.9
216.99652	2.4
218.05617	0.8
219.01646	1.1
219.05032	1.5
219.18443	0.6
221.02650	0.8
221.04782	5.4
221.09323	19.1
221.12633	1.5
221.15324	2.0
221.18347	0.9
232.01738	0.6
237.06136	1.5
239.03960	1.7
239.06062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.96386	0.8
55.01868	1.5
55.05507	1.8
56.96569	4.1
57.03427	1.7
57.07070	1.2
58.06588	0.9
58.09507	0.7
58.78305	0.7
60.08155	2.4
60.95803	0.9
61.02917	1.6
66.05164	0.7
67.05501	1.8
67.42316	0.7
69.03438	3.7
69.07040	1.0
70.06586	2.0
70.39545	2.6
70.39900	0.7
72.08148	1.7
73.02917	4.1
74.02444	1.2
79.05470	1.2
81.03446	1.1
81.07041	2.4
82.02946	1.9
83.04981	0.8
83.08581	1.0
84.08118	1.6
84.16953	0.7
85.02901	3.7
86.09698	0.7
90.74532	0.6
91.05473	4.1
93.07043	1.1
94.06558	4.3
95.05013	1.0
95.08604	1.0
97.02911	4.4
98.97602	9.0
101.00877	2.5
103.05479	1.8
104.10748	74.8
105.03365	0.8
105.07029	2.2
107.04961	5.0
107.08587	1.2
109.06471	1.0
109.10191	1.7
110.07149	1.3
110.97568	2.0
111.08086	2.1
115.05455	1.5
116.98612	2.4
117.07032	1.1
119.01897	4.2
119.04950	2.0
119.08577	1.3
120.08102	1.7
121.01688	1.1
121.02845	1.0
121.06480	2.0
123.08023	0.8
128.98639	1.7
130.06532	73.0
131.01912	2.5
131.04910	0.9
131.08542	0.9
132.04456	40.8
133.02814	0.7
133.04842	0.9
133.06490	2.0
137.05969	9.7
137.09583	1.2
143.01947	1.8
146.06032	1.2
147.04384	4.3
148.07588	3.2
151.07639	0.8
155.01891	1.3
156.06754	1.1
156.97447	3.7
157.06329	1.8
157.07620	38.9
158.06020	81.5
158.99678	1.7
161.02963	2.3
161.04651	1.0
161.05978	1.7
170.99635	1.0
171.05482	0.9
173.02885	1.5
174.98564	2.3
175.08679	100.0
176.07042	2.5
176.08975	1.2
177.00775	0.9
178.39963	0.8
179.05557	1.8
179.06992	1.1
186.05560	2.0
191.04041	0.8
192.06609	1.1
193.15857	1.2
195.05052	1.6
201.00623	0.9
203.08194	15.5
204.06494	5.7
206.16133	0.9
216.99657	1.1
219.05156	1.3
221.04782	4.0
221.09303	20.5
221.12579	0.8
221.15111	0.8
237.06068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.20996	0.5
50.63885	0.5
53.25385	0.6
59.78956	0.5
69.07030	0.5
70.06581	0.7
70.89783	1.5
77.70224	0.4
81.07027	0.6
82.02942	1.3
85.64431	0.5
91.05479	1.4
93.07047	0.8
94.06576	3.7
95.08624	0.6
97.02895	0.7
98.05835	0.5
98.97578	0.6
103.05452	0.8
105.07031	0.9
107.04906	1.5
107.08622	0.6
115.05444	1.3
119.08582	0.7
120.08066	0.5
121.06507	0.9
125.02248	0.5
130.06526	52.9
131.04947	1.2
131.06870	0.7
132.04453	38.6
133.02928	0.5
133.06461	0.6
135.08015	0.5
137.05952	0.8
147.04417	0.6
147.06343	0.7
147.09175	0.6
148.07535	1.1
150.40691	0.5
157.06337	1.2
157.07614	22.9
158.06013	73.5
159.06375	0.5
161.02350	0.6
161.05957	1.2
171.14018	0.4
175.08669	100.0
176.07071	2.8
186.05478	1.4
192.06590	0.8
203.08350	2.7
204.06535	4.8
221.04482	1.9
221.09230	23.8
221.15306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01857	2.2
55.05514	15.1
56.96568	21.5
57.03427	2.5
57.07069	3.5
59.05003	5.0
65.03922	3.0
67.05199	2.4
67.05504	22.4
69.03410	4.3
69.07066	21.3
70.30463	7.7
71.04970	8.0
76.09788	1.7
77.03919	2.1
79.05494	68.7
81.07059	44.6
83.04971	7.3
83.08607	5.4
85.02911	2.7
85.06526	5.0
87.04407	1.7
91.05481	49.1
93.07049	100.0
95.04963	16.4
95.08614	23.9
97.02890	8.0
97.06542	3.1
98.97573	4.5
99.04469	1.9
105.03400	1.9
105.07042	49.7
107.04962	4.6
107.08601	74.3
109.06522	9.0
109.10174	9.9
110.97590	2.3
111.04420	2.9
111.08067	6.2
115.05444	2.9
117.07001	5.6
119.08588	50.0
121.06488	5.2
121.10136	23.4
123.08061	8.4
123.11647	2.2
125.41924	1.9
127.07542	1.9
128.06261	2.2
129.06976	6.8
131.08594	7.8
133.02847	4.0
133.06474	5.0
133.10129	22.2
135.08041	5.2
135.11700	4.1
137.05966	5.3
137.09630	2.7
139.75031	2.1
143.08557	6.9
145.10120	2.6
147.04417	3.0
147.08028	5.7
147.11687	11.6
149.09654	3.0
153.09082	1.9
157.10123	7.7
159.11707	12.1
161.02216	2.3
161.05942	2.8
161.09628	7.1
161.13266	37.0
165.09079	3.0
165.12755	5.2
171.38475	1.8
174.93796	4.3
174.99106	2.7
175.02716	6.5
175.11189	13.9
175.14825	11.9
179.03448	3.0
179.10730	3.5
185.13303	20.2
192.94983	4.0
193.03751	3.0
193.12242	20.2
193.15845	2.1
197.95480	2.7
203.03442	2.6
203.10693	2.9
203.14339	13.3
203.18050	2.7
206.10812	3.8
206.16190	4.1
211.13257	2.1
217.07622	2.5
221.04459	13.3
221.07964	3.8
221.11781	11.9
221.13467	2.6
221.15331	40.7
221.18852	5.7
229.07709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02380	1.3
53.03949	6.4
54.29489	1.0
55.01871	1.9
55.05507	11.4
56.96568	30.2
57.07055	2.5
65.03915	2.4
67.05505	16.3
69.07061	11.8
69.30753	0.9
71.04982	3.5
71.20623	1.3
71.95252	1.8
72.96067	1.6
73.06543	1.6
77.03902	1.7
79.05494	65.0
81.03407	2.2
81.07056	41.7
83.04955	2.5
83.08604	3.6
84.96051	1.6
85.02898	1.4
85.06531	4.0
87.04440	1.0
89.13662	0.8
91.05482	42.6
93.07047	100.0
95.04973	9.0
95.08607	20.0
97.06502	2.9
98.91452	0.8
98.97594	1.5
99.08068	1.3
102.99425	0.9
105.04511	2.7
105.07032	41.0
107.08596	74.0
109.06513	6.2
109.10160	2.0
110.97559	1.0
111.08051	1.6
115.05395	1.4
116.98610	1.2
117.07043	4.8
119.05046	0.7
119.06051	2.0
119.08583	34.2
119.09444	1.8
121.06518	4.3
121.10148	16.3
123.08078	6.0
123.11691	1.1
124.99310	0.9
127.07561	1.4
128.06262	1.4
129.06999	3.7
131.08562	8.0
133.06502	1.1
133.10127	12.8
135.08043	3.6
135.11705	2.1
137.09590	0.9
139.00613	1.0
142.07780	1.8
143.08569	9.6
145.06425	1.1
145.10136	2.0
147.04373	1.3
147.08052	4.0
147.11720	4.7
149.02313	1.5
149.09602	1.3
153.09081	1.5
156.09262	1.0
156.98212	1.1
157.01730	7.2
157.10173	4.9
159.11662	7.8
161.09619	5.9
161.13261	34.1
165.09108	2.0
174.93842	1.8
175.02785	55.8
175.11179	5.4
175.14842	7.0
179.10687	2.1
180.03293	0.9
180.93921	0.9
185.13260	14.5
192.94853	1.7
193.03842	26.8
198.04378	8.4
203.14308	11.3
203.17976	1.1
206.10971	1.0
206.16264	2.1
216.05428	1.4
217.07483	2.1
221.04369	2.2
221.07890	1.3
221.11697	2.0
221.13481	1.4
221.15361	31.4
221.17648	1.2
221.18562	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	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03954	9.1
55.01864	5.4
55.05521	14.2
56.96576	16.0
57.03432	2.0
57.07075	4.3
59.05006	3.4
63.12782	1.4
65.03954	1.9
67.05507	21.0
69.03429	4.7
69.07066	14.4
71.04997	6.6
71.59431	2.9
73.06551	2.4
79.05499	61.0
81.03419	2.7
81.07063	44.8
83.04990	5.6
83.08628	10.1
85.02946	2.0
85.06553	3.7
91.05482	52.8
93.07051	100.0
94.79822	1.6
95.04984	18.2
95.08617	24.0
97.02885	9.0
97.06500	1.7
98.97600	5.6
99.04461	1.5
99.08079	1.7
105.03442	1.9
105.04523	3.7
105.06370	2.9
105.07037	43.7
107.04966	3.3
107.08603	64.4
109.06523	10.5
109.10188	6.6
111.04453	5.4
111.08106	3.8
115.05421	2.5
116.98657	4.3
117.07034	3.7
119.04919	2.2
119.08590	47.6
121.06525	5.4
121.10160	23.5
123.04439	1.6
123.08088	4.5
123.11737	2.4
127.67497	1.5
128.06172	1.7
129.06975	7.7
131.08546	9.5
133.06526	3.8
133.10120	16.1
135.08058	5.2
135.11661	3.6
137.05978	4.0
137.09636	4.1
142.07851	2.5
143.08556	8.6
145.10168	3.4
147.04405	3.7
147.08052	4.7
147.11687	15.0
157.10114	7.8
159.11700	7.5
161.06017	2.5
161.09567	7.1
161.13280	31.0
163.11113	1.7
165.09204	2.7
165.12778	8.6
174.93832	3.0
175.02783	5.9
175.07704	2.0
175.11200	19.3
175.14847	6.9
179.10593	2.7
185.13293	16.2
192.94939	5.1
193.03902	3.3
193.12234	24.6
203.10735	3.1
203.14316	12.8
206.16229	3.3
211.13177	2.4
221.04439	9.3
221.08034	3.6
221.11690	15.0
221.15347	37.0
221.17764	2.3
221.18834	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.5
60.08171	3.7
71.58804	0.6
73.12542	0.3
104.10751	100.0
110.91052	0.3
133.06812	0.4
138.89876	0.4
152.11954	0.4
204.93211	0.4
243.43440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.06558	1.0
53.03947	3.6
55.05513	26.0
56.96562	1.4
57.03438	2.0
57.07064	3.5
58.07398	1.3
59.04998	1.5
65.03951	1.5
67.05510	11.9
69.03442	2.0
69.07079	11.7
70.06583	2.3
70.83875	2.6
70.84212	1.4
71.05002	16.4
71.06927	1.4
73.06561	1.2
79.05497	17.1
81.07062	52.9
83.04993	2.8
83.08617	5.9
85.06519	1.5
86.59912	1.4
90.08068	1.2
91.05471	14.0
93.07049	32.1
95.04996	3.7
95.08614	31.0
97.06546	3.6
97.10184	2.4
98.97620	1.3
99.08102	5.1
103.05489	1.6
105.07038	27.5
107.04940	1.7
107.08598	55.4
108.09035	1.8
109.06529	4.4
109.09446	1.6
109.10171	20.9
111.08085	3.3
115.05489	1.9
117.07016	4.0
117.59435	1.2
119.01981	1.1
119.04936	3.9
119.08590	41.3
121.02918	5.9
121.06514	2.1
121.10159	12.7
123.08082	4.6
123.11725	15.4
125.09629	1.8
127.11218	5.6
128.06216	1.2
128.57602	1.1
129.06996	1.2
131.04922	2.6
131.08597	3.0
133.02896	1.5
133.06509	5.7
133.09207	2.2
133.10141	23.7
135.04425	1.4
135.08089	2.8
135.11703	93.9
137.06036	1.5
137.09613	4.0
137.13280	2.3
138.97905	1.1
139.11171	1.6
143.04901	1.5
143.08508	1.5
145.10130	3.4
146.03589	1.1
147.04376	3.8
147.08096	2.4
147.11705	16.8
149.02353	100.0
149.13316	6.5
150.02663	1.9
151.11209	4.2
157.10161	1.9
159.11661	2.1
160.05225	2.3
160.12486	1.3
161.05997	6.7
161.09669	1.4
161.13242	11.1
162.06766	2.2
163.03893	3.7
163.14842	4.4
165.09071	2.1
165.12720	2.7
175.07552	4.9
175.14859	4.8
177.14767	1.6
177.16278	1.2
178.06224	1.7
179.10672	1.3
189.05437	2.0
189.09117	1.5
190.06297	4.1
193.08600	6.4
193.15810	1.6
203.14348	3.2
203.17958	31.0
203.20995	1.4
206.05759	4.3
206.16183	2.5
221.04524	7.7
221.08035	18.2
221.11696	2.8
221.15370	5.9
221.17279	6.7
221.19032	34.4
221.22035	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	222.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.5
58.38819	0.4
66.67932	0.4
70.27563	0.7
70.27954	1.0
76.91199	0.4
82.00235	0.4
82.87986	0.3
98.20821	0.5
100.02485	0.5
101.00884	1.6
119.01923	2.0
120.56880	0.4
120.60555	0.4
120.95384	1.4
138.96411	17.7
142.03487	0.6
156.97488	100.0
157.97630	1.3
158.51605	0.5
174.98550	56.2
175.98636	1.2
176.99063	0.4
179.99103	2.8
180.97493	1.4
198.00133	1.5
198.98546	28.3
202.40805	0.4
216.99605	42.0
217.99738	0.7
222.00177	0.6
240.01277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
54.07898	0.4
55.01883	0.4
55.05514	67.5
55.08578	0.4
56.96565	5.9
57.03426	1.0
58.99583	4.4
59.05011	0.6
60.38186	0.4
61.02911	0.5
67.05509	1.5
69.03429	1.3
69.49483	3.0
70.06606	1.0
71.04993	0.7
72.08150	1.2
73.02910	1.1
74.06096	0.4
74.97599	0.4
76.02223	1.3
77.21024	0.4
79.05487	1.9
81.03432	0.7
81.07064	4.4
82.07381	0.5
83.04974	1.3
83.08624	100.0
84.08148	0.8
84.08986	0.4
84.96033	0.9
85.02900	1.3
86.09698	0.7
86.99066	5.3
91.05473	2.4
91.75387	0.4
92.08208	0.4
93.07050	1.1
95.04958	1.9
95.08638	1.1
96.04453	0.5
96.86760	0.4
97.02888	1.9
97.06525	0.6
98.96929	0.5
98.97591	13.7
101.09661	14.5
103.05470	2.1
105.00094	7.5
105.07034	2.4
106.07367	0.5
106.87688	0.4
107.04278	0.7
107.04962	12.4
107.08597	1.6
108.05293	6.6
109.06563	0.7
109.10126	0.8
110.06059	0.5
110.07185	0.4
110.97593	0.8
111.85212	0.4
112.99130	0.6
116.98624	6.4
117.07000	0.6
119.01860	0.4
119.08569	2.0
120.03291	0.6
120.08089	1.6
121.02901	2.6
121.06490	1.0
121.10167	0.9
122.02754	1.2
123.08076	1.0
125.09669	0.5
127.03822	0.5
128.02339	0.6
128.98608	1.3
130.06537	9.0
131.00151	1.4
131.04915	1.0
131.06816	0.4
131.08536	1.0
132.04417	2.0
132.05298	0.6
133.01793	0.4
133.06525	0.5
133.10109	0.8
134.09601	0.6
134.99638	1.8
135.04402	0.5
135.08041	1.4
135.11685	0.7
136.06184	0.7
137.05963	1.3
137.09578	0.5
139.03917	0.5
141.05701	0.6
143.00175	0.6
145.10046	0.6
146.99646	1.1
148.07542	3.1
149.01274	2.2
149.02263	0.6
149.04607	1.2
149.05940	0.6
151.03841	0.5
151.53537	0.5
153.09227	0.6
158.06009	3.3
158.99686	4.2
159.06697	0.5
159.08337	1.3
159.11726	0.9
161.05864	0.6
162.06332	1.8
163.03888	1.0
163.07541	1.0
163.11171	1.0
173.01151	0.7
176.07037	9.9
176.10504	0.4
177.00764	3.7
177.06870	0.4
178.04997	0.7
178.08531	0.5
179.03387	0.6
183.06786	0.7
186.99178	1.0
204.06886	0.5
204.13890	0.6
205.07018	1.2
205.08942	15.0
207.02834	1.2
216.98163	0.5
217.00235	0.7
219.01778	1.3
221.54105	0.5
222.05164	0.8
222.07732	4.3
222.11461	3.4
222.14987	1.3
222.18372	0.5
225.04292	0.8
227.02299	0.5
237.02826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.80220	0.2
53.03939	1.0
55.01873	1.4
55.05516	4.7
56.96575	1.5
57.03442	0.4
57.07068	0.4
65.03953	1.4
66.78873	0.2
67.05506	6.6
69.03409	0.6
69.06718	0.2
69.07079	3.8
70.46511	0.5
71.04999	1.2
79.05498	5.4
81.03430	3.5
81.07064	10.5
83.04984	1.8
83.08637	2.0
84.96028	0.3
85.02917	3.5
85.06527	0.4
87.08154	0.4
91.05482	4.4
93.07052	5.1
95.04975	100.0
95.08606	5.2
96.05288	0.6
97.06530	1.4
99.08123	0.4
103.05476	0.4
105.07038	3.1
107.04978	1.6
107.08607	2.7
109.06538	3.2
109.10173	0.6
111.04456	0.3
111.08105	0.6
117.07029	2.7
119.08574	3.5
121.06515	3.2
121.10146	2.4
123.08077	3.4
128.06239	0.4
129.07022	0.7
131.08601	1.3
133.10124	0.9
135.04500	0.3
135.08083	1.8
135.11693	3.0
141.07007	0.6
141.09138	0.5
143.08600	0.7
145.06517	0.8
145.10144	4.7
147.08066	3.1
149.01343	0.4
149.02313	1.8
149.09671	0.3
158.99634	0.4
159.11719	2.1
161.09627	1.0
163.03955	1.1
163.11198	13.9
165.09132	0.3
169.10176	0.9
177.00723	0.7
177.12793	2.0
177.16449	0.3
187.11200	1.8
193.10219	0.5
205.12210	2.4
205.15843	0.4
208.12453	0.3
216.11800	0.2
223.05962	1.4
223.11229	0.7
223.13217	5.6
223.16986	0.6
225.04350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96043	1.3
55.90635	1.4
62.14991	1.4
65.01549	1.8
71.24323	3.1
82.99824	5.4
95.04989	1.6
97.02891	1.4
101.00893	40.3
119.01926	84.2
124.02449	2.0
134.99960	2.4
137.02962	11.2
138.39207	1.3
140.98859	3.8
142.03493	20.4
157.03441	1.7
158.99889	13.5
160.04462	3.2
161.02943	7.8
167.62564	1.5
177.00960	100.0
178.01083	4.6
179.00673	2.5
179.04042	11.8
182.99829	3.4
183.01395	1.7
184.04599	2.9
184.26050	1.4
190.49562	1.9
199.50063	2.4
201.00897	7.0
201.02548	3.6
201.51881	4.1
202.02545	2.1
217.04071	8.4
219.02010	85.4
220.02124	10.4
225.00819	3.5
225.04346	1.7
225.09439	1.5
242.03653	1.7
243.01974	20.3
247.36243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03940	1.2
55.01873	1.3
55.05503	3.5
55.88049	0.7
56.96548	1.3
61.25064	0.7
65.03928	5.3
67.05522	4.0
69.03428	5.4
69.07061	3.5
69.51641	2.3
69.52060	3.9
71.04989	1.3
77.03946	1.9
77.91750	0.8
79.05490	2.7
81.03423	2.1
81.07068	3.4
83.04971	1.9
83.08625	1.1
85.02901	3.5
85.06560	1.5
89.03936	2.6
91.05486	55.2
93.07041	3.5
95.04986	6.0
95.08605	8.3
97.06544	2.8
98.20766	2.0
98.97590	2.8
99.04457	2.3
103.05476	3.0
105.03384	2.5
105.04546	1.3
105.07055	4.3
107.04967	3.6
107.08615	4.6
109.06534	2.3
109.10136	3.0
111.04408	1.3
111.08059	1.4
111.11751	0.9
112.99193	1.1
116.98645	1.1
118.04161	7.2
119.04952	59.7
119.08598	2.9
121.02847	2.0
121.06489	1.6
121.10151	3.8
123.04440	4.4
123.08062	3.6
125.05994	1.7
125.09637	1.2
129.03381	1.2
132.02092	5.1
133.02855	2.1
133.10165	2.7
135.04410	2.7
135.11732	1.1
136.05209	2.0
137.05983	3.0
137.09549	1.4
139.03966	1.1
139.11185	3.4
140.12787	1.0
141.06956	1.3
144.08109	2.3
145.02840	2.2
146.03609	2.3
147.04414	53.3
147.11682	2.9
149.02348	8.9
149.09656	2.1
149.13214	1.5
151.03984	1.3
151.07561	2.3
153.05518	1.0
155.07123	1.1
155.08533	1.6
157.03951	5.4
161.13272	2.3
162.03189	1.0
163.03943	2.0
164.04716	5.9
165.01857	1.2
165.05472	1.7
165.12881	1.4
167.07051	3.4
169.10146	2.1
173.02383	0.8
174.03137	1.6
175.03917	79.1
177.01831	3.5
179.07013	6.7
179.14322	4.5
180.04189	3.7
181.08492	1.1
182.07295	0.9
183.06523	2.8
183.11794	2.0
192.04179	27.2
193.04935	3.4
193.06660	1.0
195.06551	1.0
197.13089	1.1
198.13506	0.9
207.06537	100.0
207.13759	4.8
225.07446	1.8
225.09341	1.5
225.12868	2.2
225.14868	3.8
225.16682	1.4
231.04245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03945	1.6
55.01859	2.9
55.05503	3.4
56.96564	1.0
57.03424	1.0
57.07076	1.0
61.59316	1.0
61.73496	1.0
65.03947	5.4
67.05500	4.3
69.03413	3.1
69.07054	1.9
71.05000	2.3
71.32512	1.5
77.03926	2.2
79.05497	5.0
81.03412	1.1
81.07059	5.7
83.04974	3.3
83.08613	1.3
85.02908	5.8
89.03923	3.9
91.05484	67.1
93.07049	4.9
95.04976	8.7
95.08621	4.9
97.02917	1.1
97.06525	2.4
97.10177	1.3
99.04448	5.6
103.05455	2.8
105.03377	4.2
105.07060	6.2
107.04980	4.7
107.08570	5.4
108.05749	1.9
109.06535	3.7
109.10139	3.2
111.04456	1.5
111.08107	1.1
117.03388	1.9
118.04153	7.8
119.04947	67.9
119.08562	4.6
120.05309	1.1
121.02901	1.5
121.06510	3.3
121.10168	5.0
122.03613	1.2
123.04428	5.8
123.08048	5.9
123.11651	4.9
124.99108	1.1
125.06001	1.1
125.09631	3.2
129.03348	1.6
132.02043	5.3
133.02881	3.5
133.06471	1.3
133.10118	1.3
134.03633	1.3
135.04443	4.6
135.08037	2.8
135.11693	1.6
136.05177	2.9
137.05968	3.0
137.09613	2.5
139.07535	1.4
139.11156	1.0
141.09097	1.0
143.00182	2.0
145.02849	3.8
145.10178	1.2
146.03639	2.0
147.04417	53.5
147.08052	1.3
147.11705	2.7
149.02341	9.4
149.05896	1.5
149.09634	3.8
151.07553	3.3
151.11172	1.3
155.07033	1.4
157.03993	6.4
161.09692	1.5
161.13225	2.6
163.03909	5.0
163.11235	1.2
164.04652	6.4
165.05452	4.1
165.09137	2.4
165.12726	1.5
167.07085	1.6
167.10629	1.4
174.03163	2.2
174.48991	0.8
175.03914	84.7
177.01848	3.0
177.05453	2.6
177.12885	1.2
179.05586	1.2
179.07045	7.7
179.14297	2.0
180.04208	5.7
183.06534	5.8
189.12735	2.5
192.04173	26.1
193.04968	5.2
195.06560	1.3
207.06532	100.0
207.13849	6.2
207.18736	1.2
225.07477	6.5
225.11090	1.3
225.14883	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.01590	0.6
52.01249	0.8
53.03938	1.7
55.01880	1.0
55.05499	3.1
56.96555	0.7
57.03439	1.0
64.86344	0.7
65.03938	3.8
67.05484	1.7
69.03413	2.5
69.07064	1.5
69.64596	3.4
71.04987	1.8
72.85826	0.7
77.03912	1.5
79.05487	3.1
81.07043	2.8
81.53113	0.7
83.04967	3.7
85.02915	1.7
89.03908	1.7
91.05480	53.9
93.07045	4.4
95.04986	4.3
95.08592	2.0
97.06516	1.2
98.97564	1.4
99.04457	1.4
103.05451	3.2
105.03371	2.4
105.07015	3.1
107.04942	2.0
107.08612	3.8
107.76994	0.7
109.06518	2.4
109.10128	1.2
111.04437	1.2
111.08081	1.4
113.05986	0.8
116.98618	0.8
117.03362	2.0
117.24206	0.7
118.03476	0.8
118.04176	7.5
119.04944	54.1
119.08556	4.2
121.02870	1.4
121.06493	1.6
121.10125	1.9
123.04408	2.0
123.08067	3.5
124.99054	1.1
125.05997	1.9
125.09633	1.1
129.03410	1.3
129.04454	0.7
131.04912	1.1
131.08571	0.8
132.02045	4.8
133.02861	1.3
135.04396	2.3
135.08070	1.9
135.11696	1.5
136.05190	2.2
137.05960	1.5
137.09604	2.2
143.00175	1.3
145.02846	4.6
146.03554	1.6
147.04411	45.3
147.08087	1.0
147.11668	2.4
149.02336	7.6
149.09570	1.2
151.07518	1.3
151.11162	1.1
153.05490	0.8
155.07027	1.0
157.03993	4.6
161.13223	1.9
162.03207	0.8
163.03899	1.7
163.11134	1.4
164.04677	5.7
165.09135	1.3
165.12746	1.4
167.07147	0.9
173.02393	0.7
174.03117	1.7
175.03906	74.9
176.04298	0.9
177.01840	2.0
177.05508	3.5
178.25380	0.8
179.07007	4.6
180.04239	1.4
180.94002	0.7
181.08597	0.7
181.12241	1.6
183.06485	2.0
185.01233	0.9
189.12764	1.6
192.04178	25.6
193.04938	2.0
207.06529	100.0
207.13829	3.3
225.07426	1.6
225.14819	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	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.01623	0.7
53.03944	1.4
55.01891	1.1
55.05515	1.6
65.03941	2.8
69.07058	1.3
69.29458	2.0
69.29866	5.5
71.05006	1.3
77.03898	1.7
79.05491	1.5
81.07066	1.8
83.04961	0.7
87.64497	0.8
89.03928	2.5
91.05487	52.1
91.09431	0.9
93.07040	1.6
95.04974	2.4
95.08602	2.0
98.21550	1.5
99.04432	0.9
103.05487	1.9
103.85437	0.8
105.03397	1.6
105.07014	1.4
107.04953	1.9
107.08588	1.3
109.06509	1.7
109.10155	1.2
111.08070	1.0
118.04146	6.6
119.04951	59.3
119.08600	1.2
121.02846	1.8
121.10126	0.8
123.04401	1.3
123.08086	0.9
129.03375	1.5
132.02109	4.5
133.02826	2.7
135.04396	2.0
136.05206	1.6
145.02870	1.6
146.03682	1.2
147.04419	45.3
149.02365	8.6
153.05424	1.3
157.03967	5.3
160.01625	1.2
161.13274	0.9
163.03844	1.3
164.04686	5.4
167.07074	1.1
174.03107	1.9
175.03915	78.9
176.04465	1.0
177.01840	2.5
179.07021	5.2
183.06474	0.8
189.12859	1.7
192.04196	23.6
193.04941	1.4
207.06541	100.0
207.13907	1.9
225.07536	1.2
225.14810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01623	0.7
53.03944	1.4
55.01891	1.1
55.05515	1.6
65.03941	2.8
69.07058	1.3
69.29458	2.0
69.29866	5.5
71.05006	1.3
77.03898	1.7
79.05491	1.5
81.07066	1.8
83.04961	0.7
87.64497	0.8
89.03928	2.5
91.05487	52.1
91.09431	0.9
93.07040	1.6
95.04974	2.4
95.08602	2.0
98.21550	1.5
99.04432	0.9
103.05487	1.9
103.85437	0.8
105.03397	1.6
105.07014	1.4
107.04953	1.9
107.08588	1.3
109.06509	1.7
109.10155	1.2
111.08070	1.0
118.04146	6.6
119.04951	59.3
119.08600	1.2
121.02846	1.8
121.10126	0.8
123.04401	1.3
123.08086	0.9
129.03375	1.5
132.02109	4.5
133.02826	2.7
135.04396	2.0
136.05206	1.6
145.02870	1.6
146.03682	1.2
147.04419	45.3
149.02365	8.6
153.05424	1.3
157.03967	5.3
160.01625	1.2
161.13274	0.9
163.03844	1.3
164.04686	5.4
167.07074	1.1
174.03107	1.9
175.03915	78.9
176.04465	1.0
177.01840	2.5
179.07021	5.2
183.06474	0.8
189.12859	1.7
192.04196	23.6
193.04941	1.4
207.06541	100.0
207.13907	1.9
225.07536	1.2
225.14810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01852	4.6
55.05492	14.2
56.96562	20.1
57.03430	6.2
57.07063	9.7
65.26367	3.1
67.05496	17.5
68.13060	2.9
69.07065	15.8
71.04972	7.2
71.59621	4.2
77.31932	3.1
79.05483	17.9
81.03398	7.1
81.07060	22.4
83.04969	5.4
83.08611	6.1
85.02917	3.8
85.06522	5.1
91.05484	33.6
93.07061	14.3
95.04945	14.1
95.08603	16.3
97.06497	4.9
97.10159	4.2
98.97569	4.8
99.04445	7.3
101.95045	18.1
105.03436	15.1
105.07005	11.3
107.04945	5.4
107.08556	11.9
109.06527	15.4
109.10109	6.0
111.08038	4.4
111.96882	3.0
119.04972	21.9
119.08548	8.0
119.96056	9.9
121.00785	3.1
121.06480	4.4
121.10147	7.0
123.04452	4.3
123.08027	7.3
131.00157	4.8
133.10112	3.8
137.05962	4.9
138.97035	3.6
139.05002	3.1
145.10049	3.6
147.04378	17.6
147.11642	4.6
149.01149	6.2
149.09613	6.6
151.07549	3.3
155.08556	4.0
160.98750	7.7
161.13272	3.9
165.05450	4.5
167.06949	3.2
169.10139	7.1
171.11717	3.7
175.03944	24.4
179.06969	3.4
179.14377	4.1
181.09940	4.6
183.11697	4.9
192.04155	10.1
193.04927	4.4
207.06520	30.7
207.13733	11.5
210.12428	3.5
225.09149	5.7
225.11090	5.1
225.14796	100.0
225.16827	6.5
225.19559	6.1
228.95564	3.0
229.23122	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
50.05784	1.0
50.06249	1.0
50.92220	1.1
51.01237	1.0
51.02375	1.3
53.03947	6.6
54.61246	1.2
55.01862	5.3
55.05511	33.9
55.87350	1.1
56.96548	3.6
57.03418	5.0
57.07066	2.4
59.04987	2.8
65.03939	7.2
67.05505	45.5
68.99772	5.4
69.03426	7.1
69.07065	14.7
70.12585	1.3
70.12881	5.7
71.01340	4.1
71.04990	15.2
79.05492	31.0
81.03423	17.8
81.07056	57.4
83.04989	14.4
83.08611	9.4
85.02881	4.0
85.06541	12.9
87.04453	3.3
87.08060	1.3
89.03883	2.3
90.04700	1.3
91.05482	87.7
93.06473	1.4
93.07047	23.9
95.04968	16.9
95.08607	35.6
97.02914	2.4
97.06531	23.5
97.10162	2.6
98.97569	4.1
99.04450	7.5
99.08083	2.8
101.06016	1.3
103.05431	3.3
105.03385	6.9
105.07026	30.6
107.04961	8.8
107.08585	13.1
108.05766	1.3
109.02808	1.4
109.06531	16.3
109.10168	8.9
111.04432	5.9
111.08077	9.9
113.06013	7.8
116.98586	2.2
117.07001	1.2
118.04167	6.6
119.04944	66.8
119.08575	18.1
121.02818	1.9
121.06512	2.6
121.10141	11.4
123.04401	3.5
123.08077	13.5
123.11652	5.3
125.05932	3.0
125.09597	3.1
127.07562	1.7
129.03392	1.6
129.07021	5.8
129.33826	1.2
131.08586	7.2
132.02040	5.1
133.02840	2.9
133.06459	2.4
133.10133	14.6
133.79941	1.2
135.04390	3.3
135.08011	3.3
135.11699	1.3
136.05174	3.3
137.05956	5.2
137.09610	4.0
139.11139	1.6
141.06975	1.3
141.09067	1.7
145.02808	1.4
145.10045	2.2
146.03622	2.2
147.04414	55.7
147.08051	3.3
147.11694	30.4
148.04810	1.3
149.02357	8.5
149.05887	1.5
149.09537	4.0
149.23863	1.2
150.03091	1.8
151.03862	2.0
151.07553	2.7
151.11145	4.5
153.05455	2.2
155.07010	2.6
155.08510	1.7
156.09329	1.2
157.03954	4.6
157.10100	6.3
161.13232	1.7
163.03874	4.2
163.11131	2.2
164.04730	7.0
165.01836	2.3
165.05429	3.7
165.09076	3.2
165.12726	6.8
167.07007	8.4
167.08450	2.2
167.10648	1.6
169.10092	4.5
174.03148	1.3
175.03908	80.1
175.11237	6.8
177.01791	1.8
179.06975	5.4
179.14267	5.4
180.04149	7.1
181.06456	1.4
181.08429	1.2
182.07191	1.3
183.06456	3.5
183.11664	4.8
183.13777	2.7
189.12688	1.3
189.16362	1.3
192.04163	25.2
193.04886	3.8
193.12213	8.3
195.06474	1.7
197.15361	23.7
201.00688	1.5
207.06529	100.0
207.13815	5.7
207.17380	1.3
210.14090	1.5
211.13202	1.4
224.03503	4.5
225.07420	3.8
225.09113	3.1
225.12907	2.9
225.14798	50.7
225.19620	1.7
247.27203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
52.54292	0.9
53.03940	4.6
55.01866	4.0
55.05256	1.9
55.05512	34.2
56.96580	7.0
56.96823	1.6
57.03437	5.3
57.07071	2.6
59.04998	1.5
65.03934	3.6
67.05508	20.6
67.79240	1.1
69.03431	7.5
69.07068	10.7
69.92530	5.4
71.04993	5.1
73.06566	1.5
79.05497	22.2
81.03420	100.0
81.07059	29.4
83.04982	29.6
83.05358	0.7
83.08623	30.3
84.50840	1.0
85.02902	2.7
85.06535	3.4
91.05483	38.1
93.07059	13.2
95.04974	38.2
95.08611	13.3
96.05309	1.5
97.02882	2.5
97.06528	5.8
97.10179	6.3
98.97576	1.8
99.04473	3.4
99.08092	1.1
101.95027	4.2
105.03391	4.7
105.07027	22.3
106.18256	1.1
107.04961	9.1
107.08603	10.4
109.06519	8.9
109.10140	2.8
111.04426	3.3
111.08087	11.3
113.05987	1.7
115.05450	2.5
117.07024	2.7
118.04179	1.8
119.04957	11.0
119.08582	14.3
119.96077	1.6
121.06505	3.3
121.10146	8.5
123.04411	2.3
123.08071	3.9
123.11723	1.8
125.06060	1.5
125.09653	2.0
129.07007	10.4
131.08560	12.6
133.06494	3.8
133.10110	8.5
134.04935	1.3
135.04373	1.2
135.17441	1.1
137.06056	1.5
137.09613	3.1
139.03908	1.8
141.06958	1.9
142.07845	2.4
145.10158	2.8
147.04414	11.2
147.08029	3.9
147.11691	13.1
149.09599	7.9
151.07529	1.5
153.06998	1.3
157.03870	1.2
157.05176	1.1
157.10153	13.4
160.98761	1.3
161.13245	2.2
161.36171	1.0
163.03905	1.4
164.04741	1.2
165.05464	1.6
165.12793	5.1
167.07076	2.6
169.10112	2.8
175.03926	13.9
175.11176	17.4
179.07043	1.9
179.08542	1.8
179.10591	1.0
180.04173	2.4
183.11678	2.6
183.58727	2.1
184.09212	2.5
192.04173	2.9
192.09267	1.2
192.59264	3.1
193.04886	1.3
193.12245	45.9
193.57077	1.3
207.06512	16.9
207.12022	1.2
207.13884	3.5
225.05585	1.7
225.09059	3.9
225.12794	2.0
225.14809	4.8
225.16635	2.3
225.19655	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0816
Annotation	1-Acetyl-8-hydroxy-beta-carboline
Peak:m/z	Relative Intensity
53.03960	0.5
55.01853	0.4
55.05504	1.3
56.96567	0.6
57.03432	0.5
57.07067	0.4
67.05502	1.5
69.03428	0.6
69.07062	0.8
70.98227	0.7
71.04985	0.6
73.02915	0.5
77.57961	0.3
78.04710	0.7
79.05494	1.2
81.03427	0.4
81.07044	1.1
83.04982	0.5
83.08613	0.8
84.96059	0.3
85.02882	0.5
85.06532	0.6
86.65219	0.3
91.05480	1.4
93.07051	1.4
93.98993	0.3
95.04955	0.9
95.08607	0.7
97.02912	0.4
97.06543	0.4
98.97603	1.0
99.04467	1.0
100.11250	1.9
103.05466	1.2
105.07017	0.7
107.04956	0.5
107.08611	1.1
109.10165	0.6
111.08075	0.5
115.05496	0.4
117.07000	0.5
119.08568	0.7
121.06501	1.6
121.10135	0.8
123.04442	1.1
125.09645	0.4
127.03882	0.3
128.06210	1.6
129.07013	10.3
130.06573	0.6
131.04926	1.0
131.08554	0.4
133.10094	0.6
134.03619	0.3
135.11752	0.7
137.05992	1.1
140.04686	1.2
142.06537	1.3
143.07320	0.8
143.08539	0.7
144.08092	7.1
145.06564	0.7
145.10172	0.8
149.05975	2.1
151.03964	0.5
152.04765	0.4
154.06522	16.1
155.04944	0.7
155.06087	0.6
155.07265	4.0
156.08098	16.7
156.09274	0.6
157.05272	0.5
157.06467	0.3
157.10065	0.7
159.04430	0.4
163.11148	0.5
163.14720	0.4
165.05647	0.3
167.07066	12.9
170.06006	3.9
170.08386	0.6
171.06841	0.5
171.09196	2.8
171.11633	0.6
172.07591	5.2
177.05521	3.2
181.04965	0.9
181.07593	0.7
181.10260	0.4
182.06021	21.5
183.06815	0.9
184.07590	48.8
185.04703	0.4
185.07994	0.6
185.13229	0.6
198.05505	3.7
198.07680	1.5
199.08705	10.1
200.07094	3.0
209.07072	11.7
209.11618	0.4
210.05513	10.0
227.08167	100.0
227.17905	1.8
228.06607	0.6
228.08543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03947	1.9
55.01870	7.0
56.96567	1.1
59.22499	0.7
62.46198	0.8
65.03946	8.0
65.99380	0.6
67.05492	3.2
69.03418	2.3
69.07072	1.0
69.61654	2.3
69.62081	2.5
73.02922	39.6
79.05488	1.6
81.07022	0.9
82.04190	4.5
85.02911	4.8
91.05490	3.6
93.03405	2.3
93.07017	1.8
95.04987	6.0
97.02883	0.9
97.06511	2.4
98.97540	1.1
99.08077	1.1
103.05485	1.6
105.03407	5.9
105.04501	0.8
107.04939	1.9
108.02087	2.2
109.06501	1.1
110.03661	4.8
121.06504	2.0
123.04440	9.5
125.02360	3.7
125.06003	2.3
133.10178	1.1
138.03099	1.2
139.07538	1.1
140.04691	54.1
142.02637	3.2
145.00212	0.8
148.05247	0.9
149.05988	0.9
153.05499	4.4
155.07034	62.7
156.07277	0.7
166.06256	1.1
167.07069	9.5
171.06520	3.5
173.08076	2.8
177.05460	1.9
178.06242	2.1
179.07053	2.2
181.04965	100.0
181.08392	4.5
182.05286	1.5
195.06532	1.2
209.08093	21.0
214.22575	0.8
227.09134	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03931	3.4
55.01858	2.5
55.05503	9.2
56.96578	6.2
57.03432	2.1
57.07071	2.7
64.73751	0.9
65.03949	5.9
67.05515	6.4
69.03419	3.8
69.07071	7.6
71.05003	9.0
73.02905	2.5
77.03895	1.3
78.04704	3.5
79.05508	8.8
81.03400	2.6
81.07053	16.1
83.04976	4.3
83.08623	4.9
84.02311	1.0
84.96044	1.4
85.02902	1.0
85.06542	5.6
89.03916	1.4
90.25159	1.2
91.05486	87.1
92.05771	5.1
93.07048	13.7
95.04973	5.6
95.08614	6.0
97.06517	4.0
97.10147	2.3
98.97588	23.6
99.04457	17.7
99.08080	3.4
100.11267	12.1
103.05473	7.2
105.07040	4.8
106.04156	3.7
107.04982	5.4
107.08598	12.1
109.06515	2.9
109.10165	7.2
111.04501	1.6
111.08085	2.9
112.54326	1.0
113.09611	1.2
116.98640	8.0
117.03379	1.9
117.07012	1.3
119.04926	1.9
119.08583	4.0
121.06517	14.1
121.10145	9.4
123.04427	8.4
123.08062	3.2
123.11725	6.2
124.05203	3.1
125.09640	5.6
129.06985	1.7
131.00188	1.3
131.04926	5.8
131.08574	2.7
133.10141	5.4
134.03642	2.3
134.99643	2.1
135.08052	2.0
135.11690	2.0
137.05992	7.3
137.09572	2.0
139.03876	1.1
139.11203	2.0
140.04686	5.3
145.02806	1.2
145.10112	2.3
147.11658	2.8
148.05208	1.9
149.05992	13.6
149.09601	4.4
149.13254	2.9
151.03908	1.2
151.11273	2.3
152.04732	1.1
153.09111	2.0
155.07031	4.3
156.08212	1.5
157.01707	2.0
158.99657	9.5
159.04375	2.0
163.07542	1.1
163.11212	2.1
163.14813	2.7
165.12810	1.8
167.07056	100.0
167.10719	5.0
168.07343	1.7
169.12263	1.0
170.06015	8.5
171.06813	3.1
172.07623	1.1
173.13301	3.0
175.02774	1.6
176.04704	1.4
177.00726	6.9
177.05469	26.8
181.04950	5.6
181.08577	1.1
182.06020	1.4
182.99651	2.3
183.06786	1.3
183.13792	2.3
184.07552	5.3
191.06924	1.6
191.10724	1.4
191.14319	4.2
195.06380	1.2
199.02834	1.3
201.00766	2.8
202.15871	1.4
209.08240	8.8
209.11786	2.7
209.15338	3.7
217.03862	2.2
219.01791	3.9
225.00656	1.1
227.08466	5.9
227.16237	2.8
227.17961	1.7
237.02820	1.3
243.01691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03943	2.5
55.01858	3.9
55.05502	9.3
56.96553	3.4
57.03427	3.4
57.07067	6.3
59.05002	1.3
65.03939	3.7
67.05164	1.9
67.05506	29.3
69.03433	5.0
69.07076	9.2
70.06594	1.1
70.76252	1.2
70.76606	1.5
71.04996	18.2
73.02903	4.3
78.04713	1.6
79.05047	1.6
79.05493	29.2
81.03410	3.4
81.07059	14.9
83.04985	10.5
83.08613	5.2
85.02903	2.1
85.06544	100.0
86.09691	2.4
91.05479	35.4
92.05818	3.2
93.07043	32.2
95.04965	11.2
95.08607	8.7
97.02879	1.8
97.06528	7.5
97.10161	1.2
98.97581	13.7
99.04457	6.1
99.08096	6.5
100.11265	17.2
101.00871	1.1
103.05468	4.1
105.07030	22.7
106.04182	1.1
107.04958	14.3
107.08595	32.4
109.02887	2.0
109.06528	9.7
109.10167	7.2
111.04445	11.9
111.08061	2.9
115.05418	1.2
116.06258	1.4
116.98625	5.1
117.03318	1.0
117.06315	1.1
117.07024	6.0
119.01929	1.3
119.04948	1.1
119.08582	17.7
121.02880	13.9
121.06513	20.3
121.10134	26.5
123.04462	6.6
123.08082	4.4
124.05247	1.9
125.06006	9.0
125.09642	5.2
127.03889	1.4
127.07567	2.4
128.98553	1.8
129.07014	6.6
130.07805	2.2
130.52040	1.2
131.04962	2.4
131.08569	63.3
133.10130	7.8
134.99628	1.8
135.03325	1.0
135.04407	3.7
135.08061	3.8
135.11708	6.5
136.05255	1.4
137.05959	6.0
137.09592	9.3
139.07527	4.4
139.11209	1.4
140.04663	4.3
143.07076	1.2
143.08601	2.8
145.03477	1.3
145.06479	1.6
145.10124	27.3
147.08029	5.8
147.11656	2.7
148.05106	1.1
149.01236	1.1
149.05968	7.8
149.09621	65.3
149.13225	2.3
151.03874	2.0
151.11191	1.9
152.04684	2.1
153.05469	5.5
153.09084	2.2
155.07022	9.0
155.08458	2.1
158.05978	1.1
158.99687	4.6
159.04401	1.4
159.14925	2.4
163.03894	3.2
163.07526	2.3
163.11201	22.5
163.14822	2.4
165.09125	11.1
166.06177	4.5
167.07045	52.7
167.10670	30.4
168.07619	1.2
170.06018	2.0
173.09612	7.3
173.13239	2.2
175.04527	1.3
176.07790	1.2
177.00685	4.2
177.05472	13.5
178.06235	9.7
179.10698	1.6
181.04977	5.9
181.08586	3.8
181.10081	1.2
181.12207	2.0
183.06575	1.8
184.07399	1.2
185.16537	2.3
189.04123	1.4
191.10674	54.4
191.14319	3.2
193.15887	1.9
195.06555	4.0
197.11693	2.2
204.04150	1.2
206.08810	4.1
206.59097	1.8
209.08324	10.2
209.11723	49.6
209.15335	4.4
210.04964	3.3
215.09477	2.4
226.60207	1.1
227.08954	3.7
227.12698	19.5
227.16234	2.4
227.17725	3.4
230.81284	0.9
235.93428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.13558	1.7
51.89171	1.8
53.03942	3.9
55.01862	9.9
55.05508	25.8
56.96564	1.9
57.03444	3.5
57.07065	2.6
65.03918	2.4
67.05508	26.0
69.03419	3.6
69.07066	12.4
71.05008	3.5
71.32832	1.9
71.33164	2.3
73.02905	3.5
78.04700	2.0
79.05054	2.7
79.05494	41.7
81.03410	4.7
81.07062	30.5
82.51197	1.7
83.04982	10.3
83.08616	16.8
85.06525	2.9
91.05476	17.1
91.67780	1.8
93.07052	52.5
95.04980	9.6
95.08611	61.3
95.09223	3.5
97.02876	5.1
97.06518	4.7
97.10149	4.8
99.04430	5.9
100.11266	8.0
103.05437	4.8
105.07027	11.4
107.04978	14.7
107.08602	37.1
109.06493	4.7
109.10139	4.9
111.04412	4.4
111.08092	2.3
117.07024	11.2
119.08610	12.8
121.06499	15.7
121.09377	2.4
121.10162	19.9
123.04423	7.6
125.05924	3.9
125.09594	2.8
129.06998	3.5
130.07797	2.6
131.04915	4.7
131.08540	2.5
133.10098	5.1
134.03592	1.6
135.08008	3.2
135.11702	73.6
137.05956	5.6
139.07504	2.6
140.04675	3.8
143.08565	3.2
145.10129	42.6
149.05980	7.8
153.12740	2.1
155.07167	2.0
156.08090	2.3
157.10207	4.3
159.04437	2.3
163.11192	98.1
164.11494	2.0
167.07045	56.9
171.11632	2.4
173.09625	1.9
177.05492	15.4
181.04988	4.3
181.12247	20.2
184.07527	5.4
185.13216	1.7
209.08049	5.3
209.11629	2.1
212.14236	2.8
227.08270	12.5
227.12752	100.0
227.17815	9.1
228.17442	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03933	3.6
55.01857	2.9
55.05510	13.3
56.96563	2.3
57.03430	6.4
57.07062	5.4
59.04977	5.8
65.03934	3.5
67.05497	9.4
69.03426	9.6
69.07069	13.4
70.99252	2.2
71.04633	2.1
71.04990	25.5
72.59933	1.2
73.02924	9.5
73.06545	2.8
75.04452	1.3
77.03880	1.5
78.04698	2.0
79.05106	1.4
79.05495	11.9
81.03391	5.5
81.07056	16.3
83.04976	8.6
83.08635	6.6
85.02896	2.7
85.06135	1.4
85.06554	12.5
86.09702	8.8
86.18736	1.3
91.05491	16.3
93.07047	24.9
95.04970	84.0
95.08604	14.3
97.02880	1.8
97.06537	22.0
97.10154	5.8
98.21082	2.5
98.97572	3.2
99.04445	13.8
99.07478	2.2
99.08099	35.0
100.11267	10.7
103.05457	5.1
105.07041	12.4
106.04162	2.9
107.04947	6.1
107.08592	25.2
109.02864	3.2
109.05870	1.5
109.06535	19.7
109.10165	9.6
110.07155	2.0
111.04436	4.0
111.08080	8.8
113.05994	2.4
113.09629	3.1
115.07556	11.4
117.07006	1.5
119.04919	1.3
119.08573	8.5
121.06512	12.7
121.10153	26.4
123.04449	11.0
123.08044	4.6
123.11720	7.8
123.76570	1.2
124.05204	3.3
125.05949	3.4
125.09618	18.6
127.07540	16.3
131.04883	4.9
131.08586	7.1
133.02873	1.5
133.10133	35.2
134.03600	3.1
135.04372	3.6
135.08086	6.8
135.11693	10.5
137.06039	8.6
137.09561	6.0
139.03862	1.9
139.07555	3.0
139.11169	10.1
140.04677	12.6
143.10725	7.4
145.10074	3.6
147.04384	1.6
147.11662	5.7
148.05127	2.0
149.04916	1.6
149.05981	17.1
149.09613	8.3
149.13248	9.7
151.03961	2.0
151.11174	7.1
152.04675	3.4
153.05415	2.9
153.06885	1.1
153.09111	27.4
155.07036	14.0
158.10893	2.2
159.04379	1.6
159.11552	1.3
163.03865	4.7
163.11194	1.9
163.14767	5.3
165.12747	1.8
166.06236	4.5
167.07043	100.0
171.10161	16.5
173.13271	14.9
177.05464	24.0
178.06297	7.0
181.04976	19.7
181.08650	2.3
191.06955	1.5
191.10678	2.6
191.14296	12.9
193.04327	1.9
195.06509	5.5
209.08141	18.0
209.11597	2.1
209.15297	18.5
227.06996	2.1
227.09245	6.2
227.12849	1.9
227.16373	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	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03944	1.5
55.01871	2.9
55.05514	13.3
57.03409	3.0
57.07073	5.0
57.48839	1.4
59.05003	8.0
60.35189	1.4
65.03941	2.3
67.05501	7.1
67.55583	1.9
69.03432	28.9
69.07069	8.5
69.70034	7.6
71.04983	4.1
73.02915	11.3
79.05509	7.0
81.07056	10.2
83.04974	24.4
83.08623	8.8
84.14986	1.5
84.58858	1.4
85.02920	2.2
85.06555	10.9
85.23081	1.5
91.05478	4.9
93.07033	10.6
95.04981	14.4
95.08607	12.7
97.06544	7.0
97.10165	6.1
99.04440	4.3
99.08088	10.5
100.11276	3.0
101.00881	2.2
105.07033	6.9
107.04966	2.9
107.08594	24.6
109.06527	5.5
109.10160	11.8
111.08081	10.5
113.06007	5.5
115.07581	1.7
119.08588	2.9
121.06515	5.3
121.10162	12.1
123.04438	4.0
123.08053	2.8
123.11699	2.1
125.06028	2.7
125.09631	100.0
127.11221	2.0
131.08560	5.8
133.10112	7.8
135.08067	5.0
135.11723	2.0
137.09615	5.5
139.07526	4.5
139.11160	1.8
140.04698	15.5
143.01900	4.4
145.10153	3.0
147.11714	2.0
149.06070	1.6
149.09628	23.9
149.13268	6.6
151.11162	13.3
153.09119	25.9
154.09900	1.8
155.07031	20.6
161.02914	2.0
163.14822	9.9
167.07019	9.4
167.10725	3.2
173.13269	6.0
177.05484	2.4
181.04959	30.1
181.15906	2.0
191.10684	3.7
191.14331	14.0
206.26376	1.6
209.08116	5.6
209.11909	3.5
209.15359	52.4
227.09090	5.9
227.16325	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.02380	1.0
53.03954	1.3
55.01865	1.1
55.05511	8.3
56.96552	2.2
57.03413	1.6
57.07063	1.9
65.03938	1.8
67.05502	6.8
69.03431	6.5
69.07070	9.9
69.78857	5.5
70.11401	0.9
71.04977	3.5
73.02883	2.9
79.05508	7.1
81.03408	1.5
81.07052	16.7
81.79634	0.8
83.04967	3.8
83.08617	3.4
84.96051	1.3
85.02921	1.1
85.06539	2.6
86.09709	2.4
87.04435	3.3
91.05461	7.4
93.07045	21.1
95.04995	5.7
95.08615	12.4
97.02894	1.4
97.06519	4.5
97.10161	1.9
98.97566	3.3
99.04435	1.3
99.08086	1.7
100.11261	5.6
105.03399	13.5
105.07032	9.9
107.04916	2.3
107.08598	17.3
109.06537	6.2
109.10148	7.2
111.04446	1.9
111.08054	2.5
111.11689	1.2
116.98602	1.1
119.04925	1.6
119.08569	4.9
120.32953	1.0
121.06532	5.0
121.10146	33.1
123.04388	2.4
123.08060	4.1
123.11716	16.4
125.09627	7.9
127.11175	2.3
131.04872	1.1
131.08585	5.1
133.10144	9.2
135.08041	4.1
135.11641	2.7
137.06001	1.3
137.09599	6.3
137.13177	1.5
139.07523	1.1
139.11162	1.8
140.04700	1.8
145.10115	2.8
147.11673	5.2
148.04982	1.0
149.05975	2.9
149.09621	100.0
149.13258	5.7
150.09886	1.4
151.11191	10.9
152.85147	1.2
153.09096	2.7
155.07010	3.3
158.99545	0.9
161.02869	1.4
163.14780	5.3
165.12692	2.2
167.07050	15.7
167.10683	23.9
168.98076	1.1
173.01472	1.3
173.13177	7.5
177.05479	3.8
181.04961	3.4
186.99153	1.7
191.14317	9.8
191.15866	1.6
209.08035	3.3
209.11548	1.7
209.15170	5.6
212.04675	1.1
215.10210	2.2
219.01544	1.0
227.16245	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01858	4.4
55.05513	35.6
56.96572	9.9
57.03424	2.4
57.07066	1.8
59.05001	5.9
65.03932	3.3
67.05507	22.5
69.03428	7.2
69.07070	7.4
69.67318	5.4
70.06569	3.0
71.05000	5.7
72.08160	1.3
73.02925	5.6
73.68356	1.1
78.04700	3.4
79.05077	1.6
79.05484	9.5
80.95366	1.0
81.03419	5.7
81.07055	15.2
83.04981	16.7
83.06081	1.3
83.08597	3.8
84.04478	1.4
84.08141	1.7
85.02907	2.4
85.06546	6.6
86.09705	15.3
89.03941	5.7
91.05483	13.4
93.03362	1.6
93.07040	13.0
95.04967	13.2
95.08603	16.3
97.02873	2.1
97.06533	3.9
97.10087	1.3
98.97584	3.3
99.04448	3.4
99.08102	2.5
100.11256	2.7
101.06012	13.8
103.05470	7.3
104.09012	1.0
105.07040	5.2
106.04178	2.9
107.04956	10.1
107.08604	18.4
109.02895	2.2
109.06527	4.3
109.10161	50.9
111.04437	1.3
111.05570	3.3
111.08088	14.2
115.07589	1.5
116.98607	2.4
117.03422	5.8
119.04908	1.1
119.08557	5.6
121.02866	2.3
121.06521	13.0
121.10145	12.3
122.03701	1.2
123.04462	9.5
123.08065	9.4
124.05192	2.7
124.99120	3.1
125.05991	1.2
125.09624	7.3
127.00565	1.1
127.07494	1.2
128.98482	1.5
131.04918	5.7
131.08560	3.8
133.02838	1.4
133.10127	13.2
134.03639	3.5
135.04402	6.9
135.08058	5.6
135.11703	2.4
137.05957	9.3
137.08647	1.3
137.09621	15.2
139.03946	1.3
139.07661	1.1
139.11156	1.4
140.04688	9.1
143.00179	4.4
145.02850	3.0
145.10092	1.5
147.04372	1.7
147.11667	3.5
148.05165	2.9
149.05974	14.7
149.09639	6.0
149.13277	3.4
151.03932	3.0
151.11166	1.7
152.04672	1.9
153.05464	2.1
153.09097	2.2
155.07011	7.3
158.10831	1.4
159.04398	3.4
161.01221	2.9
161.13232	2.8
163.03912	22.8
163.11176	5.2
163.14780	5.3
164.04257	2.0
165.05443	1.6
165.15367	1.0
167.07042	100.0
168.07420	1.5
173.13222	7.0
177.00818	1.0
177.05475	26.3
178.06169	1.4
178.13470	2.2
179.07181	1.0
179.14325	10.7
181.04977	11.5
181.08627	1.8
185.01196	2.0
191.07019	1.6
191.14285	9.2
195.06572	1.4
199.07478	1.7
209.08173	7.3
209.15355	13.3
227.08995	3.3
227.12506	5.5
227.16281	11.7
231.01692	6.2
249.02802	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	228.1749
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05522	0.6
56.96572	0.5
57.03441	0.3
62.10366	0.2
67.05505	0.3
68.57771	0.2
68.65876	0.2
69.07065	0.6
69.41887	0.2
71.08639	0.2
73.01123	0.2
79.05462	0.2
81.07070	0.5
83.08650	0.2
86.92655	0.2
87.29947	0.2
87.91003	0.2
93.07050	0.4
97.10178	0.3
98.97598	1.5
101.27953	0.2
105.07045	0.3
109.10151	0.2
116.98632	0.3
119.01826	0.3
129.06987	0.2
156.08121	1.7
158.09712	0.5
158.99620	0.6
168.07324	0.4
168.95673	0.2
170.09653	1.1
171.10469	1.8
172.11176	0.4
177.00732	0.3
184.11258	1.4
185.11996	1.1
186.09128	0.2
186.12807	0.4
195.09639	0.4
196.11279	0.3
198.12831	2.5
199.13535	0.5
200.14377	0.2
212.14360	32.5
213.15143	4.6
217.11047	0.2
226.15968	0.3
228.17488	100.0
229.08592	0.2
229.17798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1073
Annotation	Loganetin
Peak:m/z	Relative Intensity
51.72869	1.0
53.03938	3.5
55.01862	3.2
55.05518	8.5
56.96570	8.4
57.03446	11.7
57.07071	2.6
58.06606	7.6
59.04991	1.0
59.07372	3.4
60.08154	4.5
61.02932	2.2
62.10788	0.9
65.03925	2.0
67.05510	8.9
68.05013	1.2
69.03064	1.7
69.03435	27.0
69.07079	9.2
70.02924	1.2
70.04656	3.4
70.06597	100.0
71.01355	2.7
71.04992	7.4
72.08138	4.0
73.02926	7.7
77.86555	0.9
79.05490	7.8
81.03415	10.4
81.07066	6.5
82.06562	2.0
83.01334	1.3
83.04985	8.0
83.08636	1.2
84.04488	2.7
84.08147	5.8
84.96055	1.6
85.02906	19.0
85.04008	1.3
85.06566	8.4
86.09713	18.6
87.04468	1.4
88.03967	2.0
91.05487	8.4
93.07036	6.3
95.04987	6.7
95.08625	4.9
96.08128	2.8
97.02908	12.3
97.03984	1.1
97.06519	7.3
98.02414	1.0
98.06055	2.2
98.97583	9.5
99.04483	4.7
100.07604	2.2
101.00878	1.6
103.03932	1.1
103.05467	1.3
105.04549	1.1
105.07040	3.9
107.04958	10.5
107.08642	1.2
108.02132	1.0
109.02865	3.4
109.06513	8.0
109.10132	2.7
110.02385	3.2
110.97568	2.1
111.04433	4.9
111.08069	1.6
113.03452	1.5
113.10795	1.9
114.05538	1.6
114.06640	1.4
115.03907	2.0
115.05454	2.4
116.07080	9.3
116.98645	5.7
117.07005	1.3
117.10273	3.1
119.01887	2.5
119.04892	1.4
119.08582	3.8
121.02855	3.7
121.06500	5.5
123.04436	2.3
123.08078	3.5
124.04037	1.1
124.07550	2.7
125.03439	1.1
125.05974	1.3
126.09180	1.6
127.03938	9.4
128.98599	2.7
129.05513	5.2
129.07001	2.1
131.00186	1.2
131.04933	1.0
133.02827	1.3
133.06480	1.6
134.99637	1.4
135.04449	1.3
135.08066	2.8
139.07516	2.0
141.05409	1.3
141.07074	1.6
141.10208	6.5
142.08649	7.7
145.05011	2.4
145.06477	2.2
146.99666	1.5
147.08044	4.5
148.47894	1.1
151.07538	3.1
155.08496	1.3
156.10184	1.9
157.06485	2.9
158.99654	2.1
161.01283	1.1
163.07564	2.4
165.03984	1.6
165.05495	1.4
166.08609	4.6
167.07056	1.6
173.06000	2.0
175.07542	1.9
177.00737	1.7
183.07896	1.2
183.11488	1.5
183.14948	24.4
185.05788	0.9
186.96980	0.9
187.04581	1.3
187.10896	0.9
189.00613	1.7
193.08669	1.6
201.09291	1.1
201.12399	4.1
205.98843	4.0
211.07646	1.3
211.11462	1.0
212.09093	2.0
229.00240	1.3
229.07860	3.0
229.09970	4.1
229.15492	88.2
237.02843	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	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
54.19878	0.9
55.05516	11.1
56.96576	1.7
57.03442	15.9
57.07081	2.8
58.06599	1.4
59.05006	3.7
60.08169	3.4
65.03957	1.1
67.05509	100.0
69.03420	1.5
69.07085	4.2
70.04784	0.9
71.05001	3.3
71.60855	1.2
72.32441	1.1
79.05489	5.4
81.07061	17.5
83.08612	5.7
85.06549	4.4
87.04496	1.6
87.19905	1.0
91.05479	9.1
93.07051	7.2
95.08611	8.5
98.06094	1.3
99.08084	1.7
105.07011	7.6
107.08591	4.8
109.06580	1.0
109.10165	79.7
111.08086	4.0
116.06261	1.1
117.07036	7.1
119.08600	12.2
121.06545	1.4
121.10176	3.0
125.42081	0.9
127.03944	1.4
128.06209	1.1
129.06996	2.2
131.08595	12.4
133.10133	4.8
137.09676	3.4
143.08578	2.4
145.10136	10.0
146.06000	1.5
146.91872	1.0
147.11699	3.2
153.07016	1.3
155.08563	2.4
155.10695	3.7
156.09370	1.4
157.10182	2.0
159.08076	1.8
159.11740	8.2
167.08556	1.4
169.10132	5.8
170.10916	2.9
171.11725	4.1
173.07195	1.6
173.09569	1.4
173.11766	22.5
173.13304	5.3
174.84583	1.1
181.10149	8.9
182.10959	1.6
185.13280	4.6
187.11166	2.3
187.14792	5.2
196.12497	12.9
201.16402	1.5
211.14809	8.2
214.13393	1.0
229.12233	2.3
229.14354	26.8
229.16028	9.3
229.19479	22.3
229.23654	1.8
229.27238	22.9
230.10205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03952	0.6
55.05511	9.5
57.03439	17.7
57.07076	1.1
59.05009	5.5
59.37779	0.5
65.03938	1.1
67.05506	100.0
68.05835	0.6
69.03421	1.0
69.07066	1.6
69.71009	1.3
69.71429	2.6
71.05000	3.6
79.05503	2.1
81.07059	14.1
83.04982	1.4
83.08627	7.1
85.06533	3.1
85.97328	0.6
86.06063	1.1
87.04487	1.0
91.05484	6.4
93.07059	3.6
95.08610	6.4
97.02921	0.7
98.06087	1.1
105.07029	1.1
107.08595	2.6
109.10159	86.4
110.10466	0.7
111.08109	2.8
115.42149	0.6
119.08556	6.2
131.08682	0.8
137.09627	4.3
145.10170	0.8
155.10684	4.7
159.11685	1.4
173.11751	22.9
194.08104	0.6
229.12450	1.0
229.14333	26.9
229.19458	1.6
229.23409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01874	0.6
55.05511	0.4
56.96564	4.1
57.03440	0.6
58.06334	0.5
58.06599	5.5
58.83793	0.3
59.07367	1.4
60.07871	0.4
60.08170	7.6
61.02927	0.5
68.05026	0.9
69.80775	0.3
70.06596	40.0
70.13583	1.3
70.99834	0.6
72.08167	1.3
73.02926	0.7
79.05506	0.4
82.99825	0.7
84.04518	0.3
84.08133	1.3
85.02905	0.7
86.09733	0.3
96.08125	2.1
97.02905	0.8
98.06052	0.6
98.21432	0.4
98.97586	7.2
100.07619	0.4
101.00883	7.2
102.00960	0.4
109.02858	0.5
113.00853	0.7
114.05537	3.7
114.06711	0.5
114.09186	2.2
115.02372	0.5
116.00379	0.3
116.07111	1.2
116.98629	3.0
119.01932	10.6
121.02893	1.9
124.07594	3.7
126.09095	0.8
127.03982	0.4
128.02348	0.3
130.08675	0.5
131.01889	1.2
133.03479	1.0
134.99667	0.9
135.04364	0.3
137.02963	1.1
140.03813	0.4
142.08641	30.9
143.01895	0.8
144.99811	0.8
145.03445	1.0
155.01976	0.4
157.03467	0.7
158.04878	0.7
160.06432	0.6
161.02931	0.7
163.03860	0.6
168.99863	1.8
170.08113	1.8
173.03055	0.5
183.14944	1.9
184.04576	0.5
185.02943	0.5
187.00941	3.6
187.02641	0.7
188.05899	0.4
189.04282	1.1
196.99220	0.5
205.01883	0.6
206.06998	1.5
215.00377	2.1
224.08095	1.4
229.07887	1.6
229.15480	100.0
230.06929	0.7
230.15767	1.4
233.01282	0.4
248.07961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
58.06332	0.5
58.06602	5.9
59.07391	1.2
60.08166	7.0
68.05032	1.2
70.06594	39.2
70.15160	1.0
72.08164	0.5
93.24121	0.3
96.08126	1.6
98.06052	0.7
98.20843	0.3
101.00896	1.0
114.05534	4.3
114.09183	2.1
116.07114	0.9
119.01922	1.8
124.07594	3.9
126.09161	0.3
131.01891	0.3
142.08640	33.5
143.08963	0.5
156.04196	0.4
157.88507	0.3
170.08156	1.7
187.00870	0.6
187.05621	0.4
205.06573	0.4
216.17303	0.3
229.15479	100.0
230.15764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1906
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
50.06319	0.1
55.05519	0.1
56.96561	0.2
67.05520	0.6
68.05836	0.4
69.03426	0.4
69.07064	0.2
70.06593	0.2
81.58989	0.1
86.06056	0.3
87.04458	0.2
95.08615	0.2
97.02917	0.2
98.06065	0.4
98.97587	0.2
109.02865	0.2
109.10178	0.3
110.10510	0.4
117.53389	0.1
119.08601	0.3
130.06514	1.2
131.07301	0.4
131.08493	0.1
144.08083	0.3
145.08875	0.3
158.09645	1.3
162.99545	0.1
167.08246	0.1
172.11195	1.3
173.12018	3.3
186.12796	1.4
187.13580	8.9
188.14326	1.3
194.08144	0.3
200.14328	2.0
201.15137	0.5
202.15828	0.2
205.10995	0.2
212.09210	0.2
214.15930	10.1
215.16716	2.1
219.12547	0.3
228.17575	0.4
229.30196	0.2
230.19054	100.0
231.09593	0.4
231.19368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65914	1.0
55.01870	2.9
56.96571	14.6
57.03419	1.1
58.06590	1.3
58.06997	1.0
58.99864	1.1
67.05518	1.0
68.98289	1.8
69.03447	4.8
69.07079	1.4
70.06578	4.4
70.32909	3.0
70.99834	1.4
71.04966	1.6
72.08148	3.6
73.01401	1.3
73.02932	1.6
81.03403	2.7
82.99858	3.3
83.04972	1.0
84.04493	2.1
84.08131	3.3
84.96021	2.2
85.01416	8.5
85.02894	4.4
86.09710	9.1
86.99339	1.5
88.03997	1.0
89.03930	2.1
91.02459	2.1
91.05460	1.0
97.02900	2.6
98.21154	2.5
98.97601	13.0
101.00883	39.4
102.00912	1.1
103.02449	21.1
110.97569	3.1
112.07605	1.5
113.00878	2.1
113.82187	1.0
114.09132	2.4
115.00680	1.5
115.02441	2.7
116.98643	5.1
117.03389	1.8
117.04005	9.0
119.01925	77.2
121.01668	2.6
121.03497	8.2
124.07607	1.7
124.99135	3.0
127.02402	4.8
128.98616	1.8
129.00377	6.8
129.10243	1.9
130.06503	2.5
131.00208	1.7
131.01923	5.9
133.03481	7.4
134.99651	2.2
135.05034	4.3
137.02963	10.5
140.98653	1.1
141.00162	1.2
142.03502	1.4
143.00186	5.3
143.01933	5.4
145.01675	1.6
145.03487	49.8
146.03673	1.6
146.99649	1.3
147.01401	29.3
147.03209	1.3
149.03018	1.7
157.03485	4.7
157.07617	10.5
158.99670	2.7
159.01396	3.9
159.03249	1.2
159.06819	2.8
161.01222	3.4
161.02971	26.3
163.04422	14.2
164.04265	4.3
165.02527	5.5
167.01913	1.7
169.03427	1.2
171.01385	25.3
173.02985	5.1
174.99126	2.0
177.00719	2.0
179.04007	3.4
185.02924	14.8
185.07138	15.8
186.57027	2.4
187.02841	1.4
187.04451	5.2
189.02458	100.0
190.02586	1.9
191.04016	2.3
193.00092	1.3
199.14453	2.9
201.02396	3.8
203.03972	2.2
205.03802	1.6
207.03493	18.0
207.05260	1.9
208.04604	6.8
212.04060	2.8
213.06308	1.5
215.04121	1.7
216.04155	1.5
219.03558	6.6
221.03246	1.4
222.58215	1.4
231.03479	33.6
231.07172	8.7
231.17049	2.3
233.05098	3.2
234.05257	3.4
235.04993	1.6
249.04613	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62176	0.7
51.02377	0.8
53.03951	14.7
55.01864	3.5
55.05506	2.5
56.96559	1.1
57.03440	3.9
61.02934	1.3
67.05492	2.6
68.99791	3.3
69.03435	100.0
69.07072	1.5
69.34376	4.2
69.34800	3.1
70.76582	0.8
71.04997	10.1
72.08163	1.5
73.02921	1.6
76.41096	0.8
79.05492	2.4
81.03425	55.0
81.07042	2.0
82.79398	0.8
83.01350	3.1
83.04984	1.2
85.02911	41.0
87.00835	27.3
91.05485	3.6
93.07032	2.3
95.04965	1.0
95.08601	3.2
97.02902	40.4
97.06572	0.9
98.21458	1.4
98.97620	1.4
99.04459	18.7
105.01865	5.1
105.07033	3.9
107.08593	1.5
109.02885	19.8
109.10134	1.6
115.03986	0.9
115.05475	4.5
117.07034	1.6
119.08591	4.2
121.01627	1.0
121.04015	1.0
121.10133	1.7
127.03928	28.5
128.06194	2.7
129.06996	2.1
131.04915	1.2
131.08591	2.3
132.05724	1.3
133.10127	2.6
135.11639	1.2
141.07024	1.8
142.07788	2.4
143.04945	3.1
143.08575	2.4
144.05743	1.2
144.08090	3.2
144.95016	0.9
145.04984	2.9
145.06506	1.7
145.10127	2.7
147.04398	2.2
147.08076	1.7
147.11714	1.3
155.08606	0.9
157.10110	2.7
159.11726	0.9
160.05182	3.5
161.05984	3.8
161.13237	1.0
167.08591	0.8
170.07248	4.0
171.02997	1.0
171.04384	1.0
171.08014	1.2
171.11687	2.0
173.05965	1.2
173.09669	0.9
173.13277	1.1
174.03094	1.5
175.07526	4.3
185.07254	0.9
185.09630	1.3
185.13240	3.2
189.05487	10.5
189.09212	1.3
198.03154	1.1
203.07016	1.3
203.10675	1.0
207.09785	1.3
213.03917	2.4
213.12842	2.0
213.16513	1.1
216.04117	1.6
231.02881	2.0
231.04883	2.5
231.06680	8.1
231.10083	10.4
231.13689	6.4
231.17490	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25257	0.9
53.03732	1.2
53.03952	12.5
55.01857	3.7
55.05504	4.1
56.96554	2.0
57.03433	4.7
61.02921	1.5
67.05495	3.8
68.99775	2.8
69.03429	100.0
69.07061	3.9
71.04993	10.2
71.59864	1.9
72.08153	3.0
73.02923	1.6
74.02420	2.4
79.05483	2.7
81.03419	49.2
81.07059	7.1
83.01359	1.7
83.04944	1.6
83.08625	1.8
85.02906	45.6
86.09686	2.4
87.00830	21.6
91.05479	4.5
93.07057	3.7
95.04983	1.5
95.08614	3.1
97.02886	21.1
98.97585	3.6
99.04453	20.7
102.96939	1.3
105.01855	3.5
105.03401	2.6
105.07022	5.4
107.08615	1.6
109.02886	21.9
109.10156	1.6
111.04458	1.1
115.03949	1.5
115.05460	4.2
116.98653	1.5
117.07040	3.0
119.08568	3.0
121.01660	1.3
121.03997	3.4
121.06582	1.2
121.10176	2.2
127.03921	27.5
128.06207	3.3
129.07030	3.2
131.04926	1.2
131.08556	3.6
132.05829	1.0
135.11685	1.0
141.06982	2.9
142.07799	4.6
143.04997	1.6
143.08571	5.7
145.05009	2.5
145.06534	1.8
145.10138	3.2
145.75882	1.0
147.04335	1.3
147.08037	1.7
153.01807	7.6
153.06937	1.2
156.12904	1.3
157.06493	1.6
157.10132	3.6
159.08054	1.8
159.11778	1.6
160.05176	4.2
160.35986	1.2
167.08603	1.3
169.06523	1.4
170.03598	1.3
170.07285	6.6
170.08530	1.2
171.08032	3.4
171.11684	2.4
173.05969	1.3
173.09651	1.8
174.03130	1.3
175.07559	3.0
185.09628	2.4
185.13300	2.6
187.07558	2.5
188.04671	1.9
189.12694	1.5
195.08234	1.2
198.06804	1.7
199.07622	1.5
201.05466	2.0
203.07106	1.9
213.03905	3.9
213.09016	1.7
213.12799	2.7
213.16347	1.6
216.07768	1.8
227.19150	1.1
231.02858	3.4
231.04710	1.5
231.06622	15.1
231.10115	13.9
231.13762	7.8
231.17326	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03948	0.5
55.05511	11.2
55.05782	0.5
56.05024	0.4
56.96563	0.5
57.05812	1.2
58.69569	0.2
69.03429	2.0
70.06594	0.3
70.70683	0.6
71.05001	0.4
72.08155	100.0
73.08488	0.3
81.03423	0.9
85.02908	1.1
86.09708	5.5
87.00852	0.3
91.05485	0.3
97.02905	0.8
98.97593	1.0
99.04453	0.4
109.02872	0.4
110.08875	0.2
110.97516	0.3
115.05482	0.9
116.98615	0.2
117.03261	0.3
127.03938	0.5
132.10216	3.2
143.00172	0.6
143.05029	0.4
158.99773	0.2
160.07549	0.2
175.07573	0.3
185.07152	1.3
185.16579	0.8
187.08788	0.3
203.07123	0.7
216.04323	0.2
231.02919	0.4
231.07935	2.4
231.17038	2.3
249.02971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05507	3.3
56.05027	2.9
56.96570	30.4
57.03436	6.1
58.06602	6.1
60.04543	1.9
60.05638	3.1
60.08175	10.1
61.02915	3.0
64.14927	1.6
67.05504	3.3
69.03423	8.9
69.07053	4.3
70.06599	30.5
71.04987	5.6
71.59164	2.3
72.08164	22.2
72.93836	2.0
73.02927	6.5
73.06546	2.0
74.06103	9.1
75.28982	1.8
79.05511	4.2
81.03421	4.6
81.07082	2.3
83.05009	1.7
84.04497	4.9
84.08152	14.2
84.96060	3.1
85.02913	100.0
85.08537	1.9
86.09698	4.7
88.07635	2.3
91.05474	2.6
95.04959	1.7
97.02891	6.4
97.06557	2.8
98.06091	1.8
98.97596	18.7
100.05130	2.9
100.07619	6.4
100.99143	2.5
101.00901	3.7
103.02459	2.1
103.05402	2.0
109.02871	3.0
110.06094	1.8
110.97597	5.5
111.04464	2.0
112.07635	6.9
112.08760	2.7
114.09167	2.4
115.03981	2.0
115.05482	2.4
115.08710	2.4
116.07101	7.9
116.98634	8.4
119.00158	2.0
119.01919	8.0
120.02029	3.1
120.04449	1.8
124.07606	5.4
127.03979	2.5
127.08628	1.8
128.07079	3.9
128.98639	5.1
129.10274	4.4
130.06549	4.9
130.08623	2.0
131.01904	4.0
132.08134	2.6
132.10204	2.5
132.93614	1.8
134.99648	2.4
136.06151	1.9
143.00185	5.1
143.01929	2.9
143.07271	2.2
144.00543	1.7
144.01982	2.0
145.03481	3.0
146.02330	2.5
146.06056	4.0
146.99655	4.6
150.06273	3.2
156.10181	4.2
158.05986	4.1
158.07994	11.0
158.09575	6.2
158.99670	4.2
159.06834	18.0
160.02628	10.6
160.07558	2.5
161.01266	3.4
161.02965	4.5
162.05450	3.2
162.99098	2.5
163.04037	2.5
163.06311	6.7
165.00688	3.8
167.07243	2.2
169.56767	2.2
170.99678	2.7
171.14963	2.9
172.02602	2.4
172.07654	2.5
172.57381	3.2
172.97519	2.4
173.02972	2.4
173.08080	8.7
174.12830	2.4
175.06310	8.8
175.11876	2.1
177.00719	3.6
178.03671	11.7
180.04581	2.1
184.07635	3.2
186.07494	21.4
186.09198	8.2
186.57088	15.7
187.07310	4.0
188.03717	7.2
188.07166	4.7
188.09172	4.1
188.54991	2.4
189.00815	2.4
190.03752	11.8
190.98698	5.8
191.03909	2.7
192.08957	7.8
193.08002	2.5
199.57877	4.8
200.04398	2.6
201.59358	11.4
208.04805	11.2
208.99652	4.2
214.07208	7.5
214.10811	3.7
215.08130	4.3
215.11435	2.6
219.01759	2.7
222.58163	10.1
232.02731	8.0
232.07719	17.3
232.09941	8.0
232.13992	8.6
232.15875	8.5
237.02950	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	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71114	0.9
54.42043	0.8
55.01857	2.4
55.05498	1.6
56.05020	1.9
56.96332	1.4
56.96564	17.6
57.03429	2.7
58.06582	2.5
58.99856	1.0
60.04523	2.0
60.05627	1.9
60.94361	0.9
61.01136	1.2
61.02903	4.1
67.05482	1.1
69.03411	3.5
69.05824	1.0
69.07063	4.7
70.06245	1.8
70.06591	25.1
70.98111	1.5
71.04970	1.9
71.60266	1.5
72.04487	1.4
72.08160	9.7
73.02914	2.8
74.06071	1.5
79.05465	1.2
80.04976	1.1
81.03412	2.5
81.07030	2.1
81.42225	1.1
82.99854	2.5
83.04991	1.3
84.04475	3.1
84.08147	12.1
84.96033	1.5
85.02908	11.3
86.09705	58.5
91.05460	1.4
97.02913	5.1
97.06548	4.9
98.06040	1.7
98.97587	14.0
99.04402	1.4
100.02458	1.1
100.05082	1.6
100.07610	1.4
100.97176	4.6
100.97981	4.0
100.99139	1.8
101.00877	18.3
101.02332	1.3
102.00943	3.4
103.00646	1.6
109.02847	2.2
110.07169	1.3
110.97544	2.8
112.07603	1.0
113.00865	2.4
114.09153	1.4
115.02418	1.2
115.08721	0.9
116.07059	4.3
116.98638	6.1
117.02137	1.6
118.03495	3.7
118.08634	1.4
118.98228	2.1
118.99030	1.4
119.00141	1.5
119.01922	48.0
120.02025	7.9
121.01611	3.1
127.02386	1.5
127.03941	1.6
128.03441	1.4
128.98581	2.8
129.10201	4.0
130.03510	2.1
130.04929	1.5
130.06499	4.3
131.01889	6.3
131.04863	1.1
132.53612	1.2
133.01765	1.1
133.03444	4.4
134.03641	1.0
134.99692	1.4
135.03151	1.0
136.04652	0.9
136.99236	2.0
137.02960	10.0
138.03101	1.5
142.03574	1.3
143.01884	3.0
143.05516	1.1
144.01895	2.2
144.05055	1.9
144.98094	1.9
145.01732	1.5
145.03459	6.0
146.03571	1.6
146.06003	3.4
146.99626	1.3
147.03203	1.1
149.01163	1.3
153.03874	1.1
154.03441	2.3
155.01849	1.3
155.05583	1.4
157.03430	3.2
158.03526	1.6
158.06013	3.8
158.09309	1.5
159.06805	27.9
160.01370	2.4
160.04762	1.2
160.07141	1.9
161.02954	6.8
161.09213	1.0
162.03076	4.5
162.99112	1.1
163.02634	1.1
164.04341	2.2
165.00752	1.8
165.06805	1.6
168.08694	2.4
169.03406	1.8
170.99615	1.3
171.02977	1.1
171.05527	1.6
172.01526	2.7
172.04498	1.7
172.56007	1.5
172.57347	9.3
173.02914	4.5
173.07755	1.5
173.09203	2.0
175.04530	1.7
175.11893	1.5
177.00772	1.2
178.57274	1.8
185.02975	2.4
186.03067	4.5
186.07884	6.6
186.09729	36.5
186.57091	30.4
187.04475	1.4
187.07188	5.4
188.03493	2.2
188.08029	1.2
189.02449	1.4
189.04115	1.1
190.02515	5.9
190.98582	2.5
191.02245	1.9
191.03905	5.3
191.07809	1.1
193.57884	2.2
196.08070	2.1
197.06621	3.0
199.57925	4.1
200.07964	1.4
201.57600	4.6
201.59349	1.5
202.02550	2.3
204.04088	1.2
204.08154	4.7
204.10794	11.1
208.04672	1.5
208.58463	1.2
208.99677	3.3
209.02927	1.4
209.04732	3.7
213.57582	2.0
214.03850	1.6
214.07419	4.1
214.09227	45.8
214.58333	3.8
215.07733	3.5
215.13837	1.4
220.03642	4.4
222.58127	19.8
223.08347	6.1
226.08028	1.4
227.01974	1.2
231.09270	2.5
232.03680	2.2
232.07448	11.9
232.10252	100.0
232.14030	6.8
233.05115	2.1
233.08521	3.0
233.10555	2.0
240.08916	1.6
250.04785	1.5
250.08319	1.9
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	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
53.79418	0.2
56.96580	0.6
57.03452	1.5
58.06610	0.5
60.08168	8.4
61.49469	0.3
69.03446	0.4
70.06598	0.8
70.60657	0.6
70.61014	0.4
71.04989	1.9
72.08162	1.7
73.08499	1.0
75.41428	0.3
79.05478	0.4
81.07069	0.4
84.08141	0.7
85.02908	100.0
86.09711	1.5
87.03276	0.3
87.10060	0.9
97.02914	0.4
97.06528	0.4
98.97586	0.7
103.04006	0.3
116.98611	0.2
129.07901	0.4
136.06207	0.4
142.77664	0.3
144.10216	2.0
170.11769	2.0
173.08115	9.3
177.73213	0.2
186.02219	0.3
219.01778	0.4
232.11772	0.6
232.15442	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1697
Annotation	alpha-Pyrrolidinopentiophenone
Peak:m/z	Relative Intensity
53.03945	0.5
55.01865	0.6
55.05503	1.2
64.44201	0.3
65.03950	0.3
67.01862	0.3
67.05504	11.0
69.03423	0.9
69.07063	1.6
69.90873	1.1
70.03756	0.4
75.64666	0.3
79.05486	1.5
81.03406	0.7
81.06628	0.5
81.07058	4.8
82.03742	0.5
85.02899	0.3
91.05489	3.4
93.07051	2.9
94.06567	1.0
95.04965	1.1
95.07355	0.6
95.08608	4.0
95.94082	0.3
96.08134	5.7
98.03178	0.3
105.07034	0.9
107.04895	0.5
107.08597	2.8
108.08115	0.9
109.06535	1.9
109.10162	7.0
117.05666	0.3
117.07021	0.9
119.08591	3.2
121.06488	0.5
121.10166	0.5
122.06040	5.8
122.07281	1.8
122.09672	3.3
131.08542	0.8
132.08170	0.3
133.10155	0.4
134.09639	2.4
134.81636	0.3
135.08043	0.9
136.11208	0.5
137.09621	32.8
144.38490	0.3
145.10132	0.4
147.11707	0.9
149.13318	0.4
162.09120	0.5
171.07666	0.3
173.13316	1.7
174.12688	0.5
176.10681	0.9
189.12778	0.5
190.15904	2.9
191.14262	1.7
202.12346	0.5
204.13814	0.9
214.15797	0.4
217.14494	0.6
223.82056	0.3
232.16971	100.0
233.08141	0.6
233.17287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2061
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
50.04846	0.2
53.03936	0.2
55.05502	0.3
67.04247	0.4
67.05508	0.4
68.05025	0.2
68.16109	0.2
69.03434	0.3
69.07069	0.3
69.37889	0.5
69.38300	1.2
70.03763	0.2
70.06288	0.2
70.06602	2.4
70.69881	0.2
73.02048	0.2
79.05497	1.1
80.05028	0.3
81.07062	1.4
83.07352	0.4
84.08150	0.5
91.05491	0.9
93.06525	0.2
93.07043	1.0
94.06576	0.6
95.07327	0.6
95.08598	0.6
96.08130	0.6
97.08935	0.2
98.97549	0.3
105.07042	1.7
106.06570	0.2
106.07321	0.2
107.07375	0.3
107.08588	1.0
108.08115	1.3
110.64275	0.2
117.07046	0.3
119.08580	0.7
120.08112	4.0
120.84688	0.2
121.08885	1.4
121.10111	0.4
121.68629	0.2
122.09678	1.5
129.06975	0.4
130.07886	0.2
131.08566	0.5
134.09669	2.0
134.10684	0.3
135.10475	0.5
136.11211	0.3
141.33939	0.3
142.48027	0.2
143.08603	0.3
145.06541	0.4
145.10162	1.1
146.09616	1.2
147.10432	0.4
147.11600	0.2
148.11208	2.2
149.12036	0.3
150.12784	5.5
158.07280	0.6
158.09471	0.2
160.11176	1.2
162.12775	0.8
173.09685	1.1
174.12804	4.3
175.07550	0.2
175.13614	0.2
176.14305	0.3
188.14339	3.4
189.09204	0.2
190.15913	2.5
201.09135	1.2
202.15933	1.7
203.16693	7.0
204.17390	0.4
215.14282	0.3
230.19106	0.2
232.20615	100.0
233.08025	0.4
233.11838	0.5
233.15370	0.7
233.20906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	15.9
61.02928	7.1
69.16769	5.1
69.31703	40.6
70.06590	10.5
72.08160	37.8
74.06083	69.8
78.24480	4.9
82.99810	5.5
84.04479	8.7
85.02891	10.5
86.09710	67.0
94.93018	5.9
98.20962	21.0
101.00896	39.9
113.00839	6.9
115.02407	14.8
118.08663	9.5
119.01922	77.4
127.02359	5.3
131.01915	14.9
132.10210	6.4
133.03493	32.0
137.02908	11.0
143.01903	72.1
145.03456	42.3
157.03436	8.7
161.02948	100.0
163.02464	5.2
163.04561	8.3
173.02983	21.1
175.04608	11.3
177.02454	11.2
185.02951	8.7
191.02225	5.4
191.03987	20.0
205.10783	10.5
233.06635	27.8
233.14926	9.7
243.26674	5.1
251.02319	9.2
251.06218	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	233.1174
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
50.21177	0.7
53.03938	0.8
55.01873	0.7
55.05505	2.7
56.96562	2.0
57.03426	1.1
67.05519	3.4
69.03438	6.4
69.07071	3.2
69.45882	1.0
69.46288	3.8
71.04987	1.8
79.05497	6.6
81.03419	1.3
81.07057	5.9
83.04962	2.0
83.08627	1.2
85.02898	1.7
85.06528	0.8
91.05489	10.3
93.07050	5.8
95.05006	3.2
95.08614	6.3
97.06529	1.0
98.97597	0.8
103.05470	1.8
105.07037	17.3
107.04973	4.2
107.08594	6.1
109.06521	1.7
109.10153	2.3
111.04450	0.8
111.08120	0.8
115.05435	4.7
116.06222	1.4
117.07033	10.6
119.04972	0.7
119.08593	9.5
121.06504	1.9
121.10172	3.6
123.08024	1.0
123.11744	0.8
128.06232	7.5
128.98730	0.6
129.05534	0.7
129.07028	7.9
130.07796	21.2
131.04926	1.9
131.08586	7.3
133.06479	1.7
133.10146	3.7
135.04410	0.8
135.08031	1.6
135.11716	1.3
137.06013	1.2
137.09627	1.1
141.07002	2.4
142.07787	1.7
143.08569	36.4
144.05699	2.6
145.06491	6.7
145.10132	62.7
147.04373	0.7
147.06497	1.3
147.08029	1.4
147.11708	3.4
149.05966	0.9
149.09595	1.6
149.13274	1.0
151.07472	0.7
153.06905	3.4
153.09048	0.9
154.07739	1.0
155.06018	1.4
155.08549	14.3
156.09274	0.6
157.06534	2.8
157.10129	1.9
158.07283	64.7
159.04419	0.7
159.08055	4.3
159.11722	5.8
161.06041	1.2
161.13211	1.5
161.98758	1.1
163.07498	0.9
163.11215	0.9
169.06398	0.9
169.10205	0.9
171.04478	0.9
171.08047	4.4
171.11694	1.9
172.05180	2.0
172.08856	1.4
173.05989	2.1
173.09633	100.0
173.13191	8.0
174.06761	2.7
174.09981	2.2
175.07616	3.0
175.11232	2.6
175.13168	1.1
175.14639	0.8
177.05414	0.8
177.09143	2.4
177.16438	0.7
181.02847	1.4
182.10986	1.1
183.09225	6.5
186.06775	10.0
187.07515	2.1
187.11192	1.7
187.14868	5.8
188.00226	0.8
189.09079	5.0
189.16377	0.8
189.19379	0.6
190.06210	0.9
190.15910	1.9
191.03384	1.8
191.10655	0.9
191.14302	4.8
197.13298	1.7
201.09120	93.5
202.09488	1.3
203.07054	1.4
205.04842	0.8
205.08553	1.9
205.15907	1.1
215.07050	1.8
215.10744	1.1
215.14319	6.2
215.17900	1.9
218.09383	3.8
233.04416	1.4
233.08170	8.0
233.11734	33.0
233.15393	23.1
233.19023	2.1
233.20947	8.4
233.23097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03933	2.6
53.68205	1.0
54.76343	0.9
55.05513	5.7
56.96570	5.4
57.07063	3.0
63.22020	0.8
67.05515	7.6
69.03434	7.2
69.07056	3.9
71.04964	2.0
71.07931	0.7
71.29510	0.8
71.60165	1.1
71.60532	0.9
72.04536	1.0
79.05498	48.2
81.03394	1.4
81.07049	9.8
81.08630	0.9
83.04968	3.5
83.08620	5.2
85.06532	3.0
91.05487	14.1
93.07049	12.0
95.04965	6.9
95.08620	10.4
97.06516	3.0
98.97597	1.9
99.08042	1.2
101.40028	0.9
103.05473	1.6
105.03438	1.0
105.04510	1.9
105.07033	21.9
107.04963	41.3
107.08596	11.0
109.06494	3.6
109.10137	2.6
111.08067	3.4
111.68185	0.8
113.05978	1.8
115.05453	2.6
116.06248	1.2
116.98624	0.9
117.07037	6.9
119.08598	17.5
121.06523	5.0
121.10152	7.1
123.08070	2.3
123.11701	1.7
124.09296	0.8
125.09614	2.0
128.06194	3.1
129.06996	3.1
130.07729	1.6
131.08578	18.7
133.06490	2.7
133.10138	12.7
135.08038	5.1
135.11644	2.1
137.09622	5.3
141.06992	1.7
142.07785	3.6
143.08583	4.9
144.09410	1.1
145.06485	3.2
145.10130	18.9
147.08051	17.4
147.11700	14.4
149.09628	9.0
149.13235	3.8
150.52716	1.0
151.07504	2.5
155.08568	2.1
156.09399	1.3
157.10158	5.8
158.07280	2.1
158.10872	3.0
158.97227	1.0
159.08057	3.1
159.11725	5.0
160.08882	2.4
161.09601	1.4
162.09201	1.2
163.11209	4.7
165.43559	1.1
169.10075	1.1
171.11693	3.1
172.12552	1.4
173.06064	2.2
173.09645	6.3
173.13274	11.9
174.06694	1.3
174.10298	1.0
175.07544	1.1
175.11203	20.3
177.05527	1.3
177.09085	2.1
177.42030	0.9
182.10907	1.8
186.95277	1.1
187.02727	1.2
187.07553	1.4
187.11182	1.4
187.14807	6.3
189.12691	4.4
191.14325	49.9
197.13240	3.8
201.09097	3.7
205.08554	1.8
215.06969	1.4
215.10910	1.3
215.14407	9.8
215.17963	3.1
221.27286	0.9
233.08020	3.9
233.12019	4.8
233.15369	100.0
233.18671	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03936	2.7
55.01851	1.1
55.05516	3.4
56.96576	3.2
57.03439	0.8
57.07080	0.8
60.12570	0.7
67.05494	2.6
68.65154	0.7
69.03439	5.9
69.07058	2.5
69.78675	1.9
69.79089	1.8
77.03925	0.9
79.05499	50.2
80.06264	0.8
81.03412	1.2
81.07076	6.2
83.04957	1.3
83.08624	5.1
91.05487	5.8
93.07058	6.2
95.04984	4.8
95.08118	0.6
95.08620	4.7
97.06538	0.9
102.49540	0.6
103.05481	0.9
105.04514	0.7
105.07037	9.9
107.04964	57.5
107.08607	10.8
109.06515	2.0
109.10153	1.2
111.04444	1.1
111.08095	4.4
117.07034	3.6
119.08588	7.4
121.06481	1.4
121.10143	5.6
123.08071	1.1
123.11745	1.1
125.09634	2.4
128.06203	0.7
129.06969	2.0
131.08592	6.9
133.06499	1.2
133.10136	6.4
135.04457	0.9
135.08046	2.3
135.11726	1.5
136.01927	0.7
142.07751	1.4
143.08582	2.1
145.06519	2.3
145.10144	6.6
147.08041	0.9
147.11685	9.0
149.01247	1.2
149.09647	6.6
149.13245	3.8
150.10332	0.6
155.08606	0.9
157.10124	3.5
158.07286	2.6
158.10918	2.1
159.08038	1.5
159.11705	1.9
160.08850	1.6
169.10149	1.0
171.11732	1.4
173.09679	3.9
173.13275	5.6
175.07536	0.8
175.11198	9.9
177.09090	1.8
178.96031	1.1
182.10918	1.1
186.95213	0.9
187.11179	1.5
187.14799	2.0
189.12715	1.0
191.14322	63.6
197.13271	1.8
201.09161	2.4
205.08569	0.9
207.00571	1.0
215.10747	0.9
215.14328	4.3
233.08046	2.1
233.12024	6.2
233.15379	100.0
234.15707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05520	1.0
56.96569	0.3
57.03439	1.9
58.86815	0.2
66.80465	0.3
69.71780	1.3
69.72183	0.5
79.05485	1.4
81.07062	4.2
94.04060	1.8
98.97569	0.8
119.03559	3.1
121.02908	0.4
136.06190	100.0
137.04628	1.3
137.06543	0.4
148.06291	0.3
174.59448	0.3
190.10881	2.0
234.13501	64.3
235.13985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01599	0.1
58.06596	3.6
59.07103	0.2
59.07383	3.5
64.11208	0.1
70.31403	0.3
74.09711	0.1
83.67767	0.1
118.08658	100.0
118.73714	0.1
119.08986	0.4
120.85555	0.1
132.10201	0.8
169.63409	0.1
172.18532	0.1
235.16557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03937	2.6
55.01849	2.6
55.05261	1.0
55.05515	14.4
56.96569	5.7
57.03427	1.2
57.06823	1.2
57.07079	16.7
57.84727	0.9
58.96112	2.3
59.04981	2.6
65.03935	2.0
67.05508	14.6
69.03419	3.8
69.07075	12.3
71.04974	3.0
71.60629	0.9
71.61102	1.2
71.95259	1.2
74.52486	0.8
79.05501	17.8
81.03407	2.2
81.07061	18.2
83.04971	2.8
83.08623	6.8
85.02902	1.1
85.06554	4.1
91.05486	19.4
93.07050	24.2
95.04984	6.2
95.08048	1.1
95.08614	21.1
96.18864	0.8
97.06536	12.5
97.10171	7.2
99.08088	1.0
103.05489	1.2
105.03405	1.1
105.04519	1.2
105.06377	1.8
105.07040	27.8
107.04927	2.4
107.08607	31.3
109.06542	7.4
109.09444	1.2
109.10163	20.2
111.04428	1.2
111.08067	3.6
112.99133	2.7
113.06030	1.4
113.96406	1.0
115.05426	2.6
117.07033	5.4
118.08627	1.8
119.08593	62.0
119.55779	0.9
121.06536	5.2
121.09302	1.5
121.10159	23.9
123.04414	3.7
123.08079	6.3
123.11691	3.4
125.09657	2.3
125.10577	0.8
128.06238	2.1
129.07008	4.1
131.00171	4.7
131.04973	0.9
131.08556	10.0
133.06464	3.6
133.10139	35.1
135.08060	18.0
135.11674	5.3
135.34770	0.9
137.09642	5.3
139.07553	6.4
139.11165	2.1
142.07788	2.8
143.08607	7.3
144.09348	1.5
145.06505	1.6
145.10164	8.0
146.07297	1.0
147.04402	1.2
147.08041	7.7
147.11702	15.5
149.01266	2.1
149.02348	1.3
149.09608	4.1
149.13252	1.7
151.07549	3.0
151.11185	7.6
153.09122	10.4
156.09343	2.2
157.10152	7.8
158.10887	2.0
159.11719	9.2
160.08859	1.5
161.05940	1.0
161.09644	21.0
161.13254	7.7
165.09103	3.6
169.10144	1.2
170.10948	1.5
171.03291	1.8
171.11737	6.3
173.06055	2.2
173.13266	12.6
175.07574	1.6
175.11211	8.7
175.14838	12.1
177.12764	2.7
179.10699	16.3
184.12511	2.0
187.11263	1.9
187.14825	2.8
189.00752	1.7
189.04352	3.2
189.09077	1.1
189.12730	3.1
189.16396	17.3
191.14311	3.6
193.12111	1.3
193.15865	2.1
199.14847	7.3
202.13666	1.1
207.17407	1.4
213.07997	2.0
217.04945	0.9
217.08643	1.2
217.12303	2.9
217.15897	55.6
217.19383	2.6
231.08890	1.2
235.05925	2.5
235.09586	1.9
235.13562	4.8
235.16942	100.0
235.20740	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	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.54051	0.5
55.01884	0.6
55.05505	1.5
56.05045	0.5
56.96560	2.4
65.03954	0.6
67.05514	1.7
69.03418	0.8
69.07060	1.2
70.06600	0.5
71.39864	0.9
72.08152	0.7
74.02440	6.0
79.05499	1.7
81.03443	0.6
81.07069	1.4
83.04979	1.2
83.08634	0.7
84.08141	1.0
86.09723	0.6
87.56718	0.5
89.03921	1.0
91.03786	0.5
91.05486	2.4
93.07051	1.4
94.06581	8.2
95.04987	1.0
95.08599	0.8
97.02904	0.6
97.06544	0.8
97.10152	0.6
98.97573	2.7
99.00824	2.1
100.07625	0.6
103.05486	1.1
104.04985	1.8
105.03391	0.8
105.07037	0.5
107.04957	1.1
107.08589	0.7
110.06072	0.7
110.97590	0.7
111.04412	0.6
116.98607	1.3
117.03400	0.9
118.06547	10.2
120.04456	3.8
120.08109	23.1
121.02887	5.7
121.03750	0.7
121.06477	0.6
121.10153	0.8
124.11279	1.1
124.32257	0.5
124.99131	1.6
128.04942	3.9
130.06535	3.5
131.04950	1.0
132.04449	2.7
134.06021	0.6
135.04460	2.4
135.11650	0.7
136.07590	12.3
143.00134	3.3
145.02812	1.2
146.06018	100.0
147.04524	0.6
147.06349	1.2
148.03938	7.1
148.96301	0.5
149.06042	0.6
150.05548	3.1
156.04388	1.2
157.07628	1.8
158.06015	1.5
158.99701	1.0
161.01227	2.0
163.03912	10.6
163.08647	0.7
164.07080	1.8
166.08661	15.2
166.42482	0.5
173.07220	0.7
174.05515	12.0
177.05450	0.8
185.01276	1.4
191.08180	6.8
191.14264	0.6
192.06575	7.9
202.05005	4.4
203.02306	0.7
203.08122	1.4
219.07753	1.3
220.06125	3.7
235.73656	0.6
237.00401	0.5
237.03954	0.9
237.09038	4.8
237.12576	1.0
237.14879	0.6
237.19687	1.3
237.22113	2.0
246.23112	0.5
249.02946	0.9
249.51317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.96553	0.3
57.03450	0.5
58.06591	0.5
61.02911	0.4
66.38700	0.2
67.05515	0.3
69.03433	1.3
70.06593	0.6
70.30569	1.0
72.08160	2.3
73.02918	1.1
74.02446	6.5
76.89294	0.2
81.03421	0.6
81.07064	0.4
83.03300	0.3
84.08143	1.1
85.02919	1.4
86.09694	0.3
88.01303	0.2
89.03937	0.3
91.05486	0.7
94.02644	0.2
94.06564	0.3
95.04959	0.3
97.02908	1.3
98.97583	1.2
99.04469	0.3
99.09126	0.2
100.02489	0.5
101.00891	1.1
103.00632	0.3
104.17570	0.2
107.04948	0.5
109.02904	0.4
110.03629	0.3
110.97572	0.4
113.00898	0.4
115.00550	0.2
115.02429	0.4
116.98640	0.4
118.06560	1.7
118.08720	0.4
119.01925	1.7
120.08088	0.7
121.01636	0.4
121.02889	0.5
123.04463	0.3
124.07555	0.3
127.03900	0.3
128.04970	4.3
130.06520	1.1
131.01897	1.1
131.04915	0.3
132.03575	0.2
132.04382	1.1
133.03471	0.3
143.01929	1.3
145.03487	0.8
146.06018	100.0
147.03171	0.5
147.04346	0.3
147.06387	1.4
148.03911	1.6
153.03963	0.4
155.01915	0.7
157.07547	0.3
158.06013	0.8
161.02972	0.9
163.02673	0.3
163.03938	0.8
167.01952	0.3
169.03447	0.4
171.99216	0.3
173.02974	0.8
173.07185	0.8
174.12798	0.6
175.08720	0.3
177.00900	0.3
184.04686	0.3
187.04448	0.5
191.02330	0.3
191.08136	0.9
197.03030	0.3
203.04105	0.4
210.03847	0.3
213.26976	0.2
215.03999	0.5
219.01820	0.4
219.05565	0.2
219.07726	1.9
220.13324	0.6
221.04997	0.4
231.01871	0.3
233.05013	0.7
234.54135	0.3
237.02347	0.3
237.06459	0.3
237.08717	4.6
237.12392	0.4
237.15131	0.3
238.06831	0.3
256.25708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
52.55696	0.2
53.03959	0.8
53.08265	0.2
55.01877	1.2
55.05255	0.3
55.05513	6.7
56.96569	1.1
57.07082	0.4
59.05004	0.5
60.33514	0.2
63.69603	0.2
65.03946	1.2
67.05505	6.9
69.03442	1.1
69.07066	1.7
71.04990	2.4
71.60116	0.2
79.05496	4.2
81.03416	4.1
81.07058	6.4
83.04996	1.8
83.08627	1.8
85.02914	1.6
85.06549	0.7
87.04465	0.2
91.05484	5.4
93.07047	5.6
95.04971	100.0
95.08606	5.6
96.05307	0.7
97.06531	1.2
97.10135	0.8
99.04413	0.2
99.08118	0.3
101.09666	0.2
105.04548	0.2
105.07034	3.0
107.02590	0.2
107.04974	0.7
107.08605	2.0
108.05720	0.2
109.06516	3.4
109.10146	1.8
111.04442	0.3
111.08079	0.8
115.05460	0.6
117.07029	2.8
119.08574	2.7
121.06509	2.8
121.10158	1.9
123.04421	0.7
123.08057	0.9
123.11667	0.3
125.09656	0.3
128.06230	0.4
129.06989	0.6
129.54633	0.2
130.07785	0.2
131.08572	3.6
133.06483	0.2
133.10138	3.0
135.08052	2.8
135.11716	1.2
137.06021	0.2
137.09628	1.3
139.07559	0.2
141.07002	0.5
143.08588	1.0
145.06439	0.4
145.10159	1.3
145.43005	0.2
147.08061	0.5
147.11653	0.2
149.02301	1.0
149.09648	1.1
149.13272	1.6
155.08585	0.9
157.10124	1.0
159.08110	0.4
159.11696	4.1
161.09622	3.1
173.09589	0.3
173.13278	2.1
173.14632	0.2
175.11162	0.4
177.12747	6.7
177.16248	0.2
179.10751	0.3
183.11707	1.2
184.09361	0.7
191.10669	0.2
191.14259	1.0
192.06522	0.4
193.05009	0.5
193.10074	0.3
201.12781	2.4
219.13786	2.0
219.17464	0.3
237.03786	0.2
237.07614	0.6
237.11156	0.4
237.14775	4.5
237.18593	0.6
237.22188	0.4
255.03995	0.2
255.09058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03939	6.4
55.01895	5.2
55.05255	4.6
55.05516	80.9
56.96557	10.2
57.03448	5.7
57.07071	7.7
59.04992	3.9
65.03925	2.8
67.05505	28.8
69.03423	14.2
69.07067	22.6
69.41938	6.8
69.42343	14.4
70.26611	2.7
71.04994	38.3
73.06544	3.2
79.05495	24.4
81.07063	60.2
83.04986	100.0
83.08615	7.2
83.35812	2.7
85.02901	5.0
85.06558	5.6
90.63082	2.4
91.05495	23.3
93.07052	54.2
95.04984	18.0
95.08617	31.7
97.02902	3.5
97.06544	22.0
98.97588	37.5
99.08094	10.2
100.83791	3.3
103.05471	4.2
105.07037	53.2
107.08611	38.3
109.06527	19.5
109.10158	36.7
111.08080	10.2
113.09650	3.1
116.98634	11.9
117.07042	6.1
119.08578	21.4
120.76743	2.6
121.06519	4.7
121.10159	49.3
123.08068	10.2
123.11694	23.2
125.09637	5.6
127.11189	11.3
129.06979	3.9
130.07748	3.5
131.08582	18.9
133.03413	3.0
133.10141	96.0
134.99689	3.8
135.08133	5.0
135.11711	20.3
137.06004	3.7
137.09576	7.2
137.13277	7.1
139.11206	34.8
143.10626	4.8
145.10138	19.1
147.11700	21.7
149.02348	14.6
149.05914	2.6
149.09683	6.0
149.13283	17.7
151.11191	59.7
153.12750	9.1
155.10713	4.4
156.08034	11.4
158.99680	10.4
159.11710	35.9
161.13232	6.2
163.11179	8.8
165.12839	3.3
173.13242	7.1
175.14888	3.0
177.00691	8.7
177.12790	5.8
177.16409	4.9
187.07437	3.6
191.07030	3.7
191.17950	4.5
193.05006	7.6
198.09027	4.2
201.16393	18.2
219.09818	5.0
219.17462	35.3
220.04243	4.8
228.10104	15.7
237.07497	15.7
237.10983	9.4
237.15369	9.4
237.18481	46.9
237.22208	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	237.1849
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03941	5.0
55.01842	2.3
55.05513	73.7
56.96567	10.8
57.03420	4.2
57.07081	4.4
59.04984	5.1
59.77361	2.3
61.02900	3.1
64.03915	2.0
65.03920	2.1
67.05505	15.8
68.24443	2.0
69.03416	8.6
69.07070	15.2
69.78155	7.7
69.78565	3.7
71.04997	30.1
74.75574	2.1
79.05493	19.0
81.03427	2.4
81.07061	55.9
82.03881	2.3
83.04984	100.0
83.08627	3.3
83.14726	1.9
85.06535	4.1
86.00639	2.8
91.05500	16.8
93.07047	38.5
95.04982	13.7
95.08607	26.9
97.02871	4.4
97.06543	19.2
97.96971	2.2
98.97583	26.0
99.08083	8.4
105.07029	38.5
107.04903	2.1
107.08598	31.9
109.02855	2.2
109.06515	11.0
109.10159	35.8
110.09622	2.0
110.97592	3.7
111.08100	14.7
115.05433	3.9
116.98590	5.9
117.07002	7.7
119.08595	15.1
121.10153	53.0
123.08060	8.2
123.11739	19.1
125.09612	3.3
127.07562	2.6
127.11156	11.5
129.06996	4.3
131.08578	15.9
133.10135	96.4
134.76126	2.2
135.08116	2.4
135.11668	17.7
135.61459	2.5
137.09598	7.4
137.13271	3.1
139.11176	29.2
144.05663	2.8
145.10127	21.4
147.07463	5.1
147.11688	14.9
149.09608	6.1
149.13258	16.4
151.11171	44.7
153.12753	13.7
156.08002	10.7
158.99651	8.0
159.08060	5.7
159.11696	23.3
161.13278	6.6
163.11134	7.1
165.08551	6.7
165.12750	2.5
167.14342	3.9
173.13292	3.7
177.00710	4.6
177.12746	8.3
183.08565	4.0
187.07582	3.7
191.06984	3.9
191.17996	4.3
192.09087	2.7
198.09055	8.2
201.16428	16.4
207.09665	2.8
219.10010	7.4
219.13937	3.9
219.17439	26.3
220.04266	6.8
228.10056	7.5
237.10925	6.2
237.14859	5.6
237.18503	47.7
237.22049	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01860	14.4
56.96561	22.4
57.03432	17.4
58.99870	6.2
60.83619	3.0
61.02923	21.3
67.05495	4.3
68.98315	6.8
69.03107	4.0
69.03431	35.9
69.07054	6.2
70.06592	18.5
70.24444	3.4
70.24780	11.7
70.99859	2.7
71.01337	3.2
72.08136	9.1
73.02543	4.6
73.02917	51.9
74.02439	6.2
77.00909	4.2
81.01907	4.1
81.03433	22.0
82.01426	8.8
82.99837	4.8
84.04525	4.6
84.08131	11.3
85.02911	66.1
86.09687	6.0
86.99341	7.1
89.03919	9.7
91.05479	5.0
93.01878	4.7
96.02407	4.0
97.01409	13.4
97.02895	35.9
98.09699	3.2
98.97599	6.1
99.04441	5.1
100.02494	34.6
101.00888	42.0
102.02374	7.4
103.02437	8.4
103.03112	3.8
103.03943	3.7
105.00372	5.8
106.06516	5.0
107.04960	8.5
108.02402	6.8
109.02859	17.8
110.03667	3.8
110.07146	12.8
111.02899	10.3
111.04417	6.9
113.00877	26.2
115.02452	36.2
116.98603	7.6
117.02817	4.9
117.04014	11.0
118.03529	8.8
119.01934	63.5
119.06912	3.0
121.02884	3.9
121.06535	3.3
123.02901	11.8
123.04419	3.8
124.07614	7.6
124.99127	6.6
126.03368	5.9
127.02415	26.1
127.03928	17.5
129.02986	5.8
129.03938	6.5
129.05302	5.6
129.10226	5.0
131.01906	42.0
132.03439	12.5
132.53502	4.1
133.03493	20.8
135.02910	5.8
135.04250	16.3
136.07562	10.0
136.93138	3.5
137.01935	4.2
137.02928	5.5
138.03310	4.4
138.04126	4.9
140.05563	11.9
141.03958	7.8
143.00131	10.5
143.01898	70.0
144.03401	12.1
145.03503	78.7
145.04747	5.5
145.05052	4.8
146.06006	33.0
147.01367	5.0
147.04234	6.7
147.06372	100.0
150.05321	5.9
153.03989	21.7
154.94153	5.6
155.01913	39.5
155.03088	5.3
156.02072	3.9
156.05075	9.6
157.03261	15.1
158.06662	9.0
159.04955	4.2
159.06844	5.2
161.01154	5.7
161.02963	61.7
162.04488	7.9
163.03844	63.3
165.05362	4.0
167.01854	8.6
168.05038	13.5
168.06274	4.7
169.02119	4.4
169.03448	26.2
170.03036	7.3
171.05038	11.6
172.95276	7.8
172.98878	5.8
173.02966	55.8
174.03116	5.0
174.04515	6.1
175.04488	3.6
177.02477	5.9
182.04211	4.5
183.04988	4.9
184.04605	26.4
185.02950	27.7
187.00960	8.2
187.04500	38.3
192.06540	5.6
192.10193	4.9
193.05258	4.9
197.00725	6.4
197.02972	14.7
203.03992	20.9
209.02904	4.4
210.02481	8.5
212.03983	3.5
215.00348	14.8
215.03923	28.5
220.02402	3.6
221.04974	16.5
227.03999	5.9
230.05092	4.9
231.01770	10.5
233.01353	14.0
233.05086	46.6
235.04530	6.6
238.03201	10.9
238.06516	27.1
238.09161	7.9
245.05080	12.3
249.02931	10.1
251.02489	8.8
253.05534	4.5
256.04315	10.3
256.06760	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	239.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88304	0.8
53.03929	3.4
55.01873	11.1
55.05516	90.8
56.96571	5.0
57.03434	1.4
57.07064	2.3
59.30787	0.9
59.44799	0.9
65.39281	1.0
67.05499	5.0
69.03405	1.3
69.07062	2.4
69.72399	6.9
70.06609	2.2
71.04985	2.6
72.08149	1.1
73.02923	6.3
74.38154	1.0
74.99073	10.2
79.05473	3.7
81.03426	1.4
81.07061	8.1
83.08626	100.0
84.04494	2.0
84.08128	3.9
84.08965	1.2
85.02886	1.6
86.09696	1.0
89.03903	2.0
90.29365	0.9
91.05451	2.0
91.77712	0.9
93.00110	14.5
95.08621	4.6
97.02895	2.0
97.06552	1.2
98.97582	3.0
99.08095	1.1
101.09671	12.7
102.98537	9.6
104.94545	1.0
105.07040	1.4
107.04955	2.2
109.10181	1.6
110.06066	2.1
113.03501	3.0
115.03970	1.3
116.98598	1.6
117.03401	1.3
119.01899	1.3
119.04929	1.5
119.08574	1.1
120.99577	60.6
121.02818	1.0
124.99088	2.6
129.10199	2.0
132.04451	2.3
135.04399	3.0
139.00595	4.1
141.06580	2.3
143.00197	5.5
145.02853	2.5
146.03233	1.6
151.03885	1.9
161.01236	3.0
161.05920	1.2
163.03911	15.8
164.04282	10.1
185.01228	2.4
186.01604	1.4
189.00749	1.2
193.08633	1.3
193.10580	1.8
202.21895	1.1
221.08261	2.2
239.08957	36.7
239.13918	4.4
239.17549	1.2
249.02861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.87320	1.0
55.05260	1.8
55.05514	26.8
56.57870	1.2
57.07077	100.0
65.03940	1.6
67.05505	53.1
69.06713	1.6
69.07066	23.7
71.04991	2.5
71.08633	61.9
71.59845	2.1
72.04515	3.3
79.05483	6.2
80.94851	2.1
81.07059	56.4
83.08619	28.5
85.06557	5.3
85.09702	2.1
85.10184	26.9
88.02213	1.6
89.06008	2.5
91.05467	1.6
93.07031	4.7
95.08609	75.5
97.10174	14.7
99.04438	1.3
99.08096	1.9
105.07038	1.9
109.10159	25.8
111.11699	1.9
119.08560	1.2
123.11723	8.7
129.07014	1.5
133.08586	1.8
137.13272	2.2
141.06982	2.5
155.08539	1.8
157.10056	1.8
159.11630	1.4
168.09363	1.6
169.10178	2.5
171.11592	2.1
173.83151	1.1
183.06734	1.4
183.11626	5.0
192.02893	1.1
197.13261	4.2
221.11755	1.2
221.15237	1.1
239.08865	23.8
239.10939	2.0
239.18019	10.8
239.23627	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	240.1596
Annotation	Salbutamol
Peak:m/z	Relative Intensity
50.04459	0.8
51.48414	0.8
51.77964	0.7
55.01875	9.2
55.05502	1.2
56.05034	1.0
56.96569	0.9
57.03447	1.0
67.05496	3.9
68.05018	4.1
69.03432	1.4
69.07073	15.8
69.80238	4.3
70.02942	3.0
70.06244	1.3
70.06596	18.5
71.04996	27.0
72.08143	1.0
74.89368	0.7
77.86474	0.7
79.05495	4.1
80.05008	1.8
81.07061	4.8
82.06569	1.3
82.07447	0.9
83.04963	1.8
84.02117	2.2
84.08115	1.6
86.06064	3.2
91.05477	1.4
93.07065	1.3
94.06577	1.7
95.04961	1.9
95.07294	0.9
95.08585	1.5
96.04489	3.3
96.08133	25.7
97.05243	2.0
97.06532	2.3
98.06046	2.8
98.09696	10.3
98.97569	2.7
105.06998	1.7
106.06552	6.1
107.04984	0.8
107.08580	2.9
108.08145	5.2
109.06493	0.9
109.10166	2.3
112.07606	1.0
116.98637	1.1
120.08082	2.4
121.10204	0.9
122.06036	12.1
122.09681	1.5
124.07600	76.7
124.11207	1.7
125.08418	4.4
126.09164	1.3
134.05984	1.3
136.07539	1.7
137.09525	0.8
138.05426	0.8
140.07074	16.1
148.07587	2.1
150.12775	6.8
152.07062	3.7
152.10675	2.9
153.07854	10.2
153.09036	1.2
154.08560	0.8
158.99629	1.0
161.83289	0.8
166.08652	0.9
166.79784	0.8
176.14313	4.0
177.00665	1.3
181.07608	1.0
194.15399	9.2
204.13831	9.4
222.14899	100.0
240.06776	1.4
240.09435	0.9
240.16017	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.12793	0.3
55.05515	1.1
56.05028	0.5
56.96574	2.3
57.03445	0.7
57.07069	0.4
59.05000	0.5
67.05511	1.0
69.03420	1.0
69.07067	1.7
70.06596	1.9
71.05000	0.4
71.59980	0.5
72.04512	0.8
72.08188	0.4
73.02920	1.0
74.06078	0.9
79.05480	1.6
81.07056	2.5
83.08625	0.5
84.08124	0.5
85.02892	0.6
85.06577	0.3
86.06071	0.4
89.00809	0.4
91.05500	1.4
93.07061	2.0
94.06544	1.0
95.08619	2.1
97.02891	0.7
98.97593	6.0
100.07663	0.4
105.07031	1.0
107.08604	2.0
108.08119	1.1
109.08900	0.4
109.10137	0.5
110.97575	2.7
112.07627	0.5
114.09158	0.6
116.98634	1.8
119.04949	0.5
119.08594	0.6
121.10190	0.6
122.09682	1.2
123.10420	0.4
124.07605	5.0
125.06067	0.3
125.09662	0.5
126.05154	0.4
126.09170	0.8
128.98639	2.8
130.06508	0.3
133.10124	3.1
134.99666	0.5
135.05673	0.3
135.11716	1.8
136.11200	1.9
137.05907	0.3
137.13206	0.3
138.09177	1.1
139.09901	1.0
140.10722	0.7
142.12288	1.5
143.00246	0.4
143.48145	0.3
145.10236	0.4
146.99669	1.7
147.04404	0.3
150.12776	1.3
151.13535	0.5
152.07098	0.3
152.10699	1.7
152.14331	0.6
153.11516	0.9
154.12328	2.2
154.95428	0.3
155.07080	0.3
156.06203	0.6
158.99699	1.8
161.09642	1.4
165.06812	0.4
166.12302	4.5
167.10719	0.4
167.13097	2.1
168.13826	1.1
169.05147	0.7
174.07355	0.7
176.03391	0.6
176.43378	0.3
177.00719	0.8
178.05701	1.4
179.10704	1.9
185.03946	0.6
187.06297	1.5
189.56435	0.3
194.15398	2.1
196.16980	100.0
197.17334	1.2
198.18472	1.6
199.06175	1.5
199.19034	0.3
199.56378	0.4
208.06773	2.4
208.57033	0.5
214.45557	0.3
217.07312	1.5
217.57591	0.4
219.01694	0.6
221.99994	0.3
226.07695	1.0
232.28929	0.3
240.09265	0.9
240.19588	50.3
241.08595	0.3
241.19905	0.6
253.07619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01858	0.4
55.05496	0.7
56.96563	3.6
57.03424	1.0
58.06599	19.1
58.99870	0.3
59.07376	0.4
61.02924	0.9
62.83442	0.2
67.05494	0.5
69.03437	1.5
69.07049	0.4
69.49697	2.1
70.06593	4.8
71.04973	0.5
71.06958	0.3
72.08172	1.6
73.02907	1.1
74.09715	1.3
77.75340	0.3
79.05479	0.7
81.03401	1.6
81.04514	0.5
81.07045	0.4
82.06590	0.3
83.04972	0.6
83.06056	0.3
83.08594	0.4
84.04489	1.3
84.08140	12.7
85.02902	2.3
85.06537	0.4
87.04452	0.3
91.05505	0.3
95.04959	0.5
95.08622	0.5
97.02370	0.3
97.02898	2.0
97.06522	0.3
98.06046	0.7
98.09706	1.8
98.21516	0.5
98.97580	15.5
99.04468	0.7
100.07624	0.3
100.11240	0.7
101.00882	2.1
102.00925	0.6
107.04958	0.4
109.02853	0.5
110.07177	1.3
112.07618	0.4
113.00885	0.4
114.05485	0.4
115.00751	0.3
115.02461	0.3
116.07095	0.9
116.98618	9.6
118.08656	1.8
119.01923	3.2
119.04892	0.3
120.01993	0.8
121.01648	0.6
123.04402	0.4
124.07613	0.4
126.05539	0.6
126.06530	0.3
126.09156	0.6
127.03880	0.6
127.12304	0.6
128.07085	0.4
128.10718	3.9
128.98619	0.3
131.01878	1.5
132.03436	0.3
133.03452	0.8
134.06023	1.0
134.99644	4.1
135.04405	0.3
137.02953	0.6
137.05881	0.4
143.01881	1.2
144.10188	1.1
145.03484	1.0
146.06010	0.7
147.03220	0.5
148.54753	0.3
150.09061	0.4
151.05975	0.4
152.07051	2.2
152.10692	0.3
155.01878	0.8
156.97510	0.7
157.03470	0.3
159.06828	1.8
160.06441	1.4
160.56711	0.4
161.02939	1.4
161.04099	0.7
163.03923	0.7
168.10191	1.0
171.05067	0.6
172.57292	0.5
173.02974	1.0
173.07617	0.5
174.06184	0.3
174.98447	0.6
175.00760	0.3
175.02815	0.3
175.04512	0.5
176.00896	0.5
176.07684	1.2
177.00754	0.6
179.58003	0.3
181.03410	0.5
185.02895	0.7
187.02684	0.3
187.04535	0.3
187.07283	1.3
190.98869	0.3
193.03728	0.3
195.04936	0.6
195.11253	0.6
196.09685	5.0
197.02942	0.6
198.98718	0.5
199.02310	0.3
199.04436	0.5
199.08179	0.3
200.07669	2.9
201.00772	0.4
201.02480	0.7
201.59364	0.8
202.07674	0.3
202.09650	0.3
203.04001	0.3
213.02361	0.3
213.16071	0.5
217.00078	0.9
217.01866	0.4
217.05560	0.7
218.01883	0.4
218.06770	0.4
218.08748	2.8
219.01744	0.4
221.04977	0.5
223.08310	2.9
223.58551	0.4
231.03517	0.3
232.08803	1.0
235.01299	0.5
241.15468	100.0
242.15756	0.8
245.05115	0.5
258.99777	4.0
259.02390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21338	0.1
54.19203	0.1
56.96563	0.4
66.64352	0.1
70.86934	0.3
82.99828	0.6
87.50590	0.1
98.33176	0.1
98.97585	2.6
101.00887	6.6
116.98631	1.4
117.29791	0.1
119.01924	12.7
120.02032	0.2
122.97791	0.2
124.49468	0.1
134.99825	1.3
137.02953	1.8
140.98816	0.9
142.03548	0.2
151.87480	0.1
153.00914	0.3
158.98613	0.3
158.99899	3.6
159.99908	0.1
161.03011	0.2
165.99683	0.2
173.01279	0.1
175.03046	0.5
177.00958	23.8
178.01086	0.6
179.01357	0.1
182.99829	0.8
193.03975	0.3
195.01976	0.3
197.00594	0.2
197.02910	0.2
199.03052	0.3
200.02734	0.2
201.00928	3.0
201.02541	0.4
214.95554	0.3
215.01581	0.1
217.04077	3.4
217.06062	0.2
219.02010	27.3
219.94455	0.4
220.02147	1.6
221.02058	0.2
225.00880	2.2
227.99770	0.2
229.79904	0.1
232.96629	0.3
234.00726	0.4
237.95305	0.2
237.99086	0.6
238.03346	0.1
242.03622	0.4
242.96158	0.5
243.01985	11.9
244.02118	0.3
261.03064	100.0
262.03235	2.3
263.03494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0931
Annotation	Cytidine
Peak:m/z	Relative Intensity
52.64347	0.3
55.01864	0.4
56.96560	1.2
57.03430	1.0
58.54321	0.2
60.73843	0.3
61.02927	0.8
69.03423	1.1
69.04559	1.4
69.51782	2.0
70.06606	1.9
72.08166	0.6
73.02929	0.8
81.03412	0.4
83.06125	0.3
84.04512	0.6
84.08152	3.0
85.02900	1.2
86.09692	0.3
94.04107	0.4
95.02470	3.4
97.02909	1.3
98.97579	1.3
101.00870	2.2
104.63065	0.3
112.05097	100.0
113.00886	0.6
113.03477	0.7
113.05446	0.4
115.02411	0.5
116.02518	0.2
116.07093	1.2
116.98662	0.5
119.01931	2.1
120.02036	0.4
123.07973	0.3
124.95457	0.4
129.04034	0.3
129.10262	0.7
131.01936	0.8
132.01955	0.3
133.03474	0.5
143.01927	1.0
145.03462	0.9
147.05043	0.3
153.05859	0.6
154.03760	0.3
154.05678	0.3
155.01936	0.8
157.03514	0.8
161.02982	1.8
163.04565	0.4
163.06560	0.3
167.07077	0.4
170.95969	0.3
171.55534	0.3
173.03006	1.0
176.04520	0.3
176.07713	0.5
184.04594	0.6
185.02927	1.5
188.97006	0.6
197.02986	0.4
202.98674	0.4
203.03906	0.6
220.02090	0.3
221.05084	0.8
244.01985	0.5
244.07544	1.1
244.09775	0.6
244.12874	0.3
244.16661	0.6
245.05064	1.5
262.03314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94218	0.3
53.36591	0.3
58.31843	0.3
58.99847	0.4
69.03414	0.4
70.91026	0.7
70.99841	0.4
77.00909	0.4
79.24876	0.3
81.03424	0.4
82.99805	1.6
85.32700	0.3
86.99339	0.3
97.02917	1.6
99.04468	0.4
101.00888	13.2
102.00951	0.7
102.96851	0.5
103.00650	2.6
103.01288	0.5
103.02441	0.6
105.00404	0.6
113.00867	2.0
115.02406	1.4
119.01929	23.4
120.01991	1.5
120.97876	0.3
121.01670	5.5
121.02374	0.3
124.02476	0.3
127.02407	0.7
127.03899	1.0
129.00351	0.4
129.03941	0.5
129.13925	0.3
131.01915	4.8
131.05612	0.4
133.03459	1.4
136.99637	0.5
137.02972	2.4
138.99030	0.4
139.02562	0.9
142.98555	0.6
143.01909	9.8
145.03485	4.1
147.01360	0.9
147.05008	0.4
149.02928	0.5
149.06612	0.7
155.00745	0.5
155.01888	4.3
157.03479	6.2
159.01418	0.4
159.05106	0.3
160.99692	2.9
161.02966	26.4
162.03139	0.5
163.04539	0.5
167.01907	1.2
169.03458	0.8
171.05066	0.6
173.02975	5.3
175.04536	4.1
177.00970	1.3
177.02550	0.5
178.01091	0.6
179.00705	21.5
179.03986	0.9
180.00717	0.5
184.04575	0.5
184.99678	0.8
185.02962	8.9
187.04514	2.0
188.02960	0.3
189.06097	0.5
191.04010	0.7
197.03017	3.4
199.00858	0.3
199.04497	0.9
201.02750	0.4
203.00786	2.4
203.03990	7.1
203.11227	0.4
215.04037	1.6
216.95139	0.4
217.01936	0.4
217.05630	0.4
219.01994	1.1
219.03911	3.4
220.02118	0.4
221.01784	25.6
221.04808	1.6
222.01860	1.0
227.00633	2.0
227.04016	1.7
233.05084	1.0
236.00342	0.3
239.98628	0.8
244.03271	0.4
245.01863	10.8
245.05066	19.6
245.12274	1.9
261.03088	0.4
263.02887	100.0
264.03098	2.1
265.03232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41216	0.9
54.81744	0.9
55.01879	0.9
55.05508	1.2
56.96564	5.0
58.99854	3.0
65.01736	0.8
68.98285	3.4
69.03435	4.5
69.33222	8.4
70.06583	1.8
70.99850	3.6
72.08141	0.9
73.02904	0.9
73.81319	1.0
77.00912	1.6
81.03415	2.0
82.99821	7.6
84.08148	2.5
85.01389	1.1
85.02896	2.7
86.09685	1.1
86.99337	3.8
89.00862	1.8
89.33794	0.9
96.08157	0.9
97.01398	2.2
97.02895	6.2
98.97597	6.2
100.07590	2.0
101.00884	79.6
103.02428	2.0
105.00350	1.8
109.02879	2.2
112.05110	6.1
113.00879	11.6
113.03531	1.8
113.05421	4.1
115.02431	6.4
116.98647	2.3
118.08678	3.4
118.80518	0.9
119.01926	100.0
120.02032	1.2
124.02420	1.2
124.07576	2.3
124.95480	2.1
125.00891	1.0
126.01757	1.0
127.02431	7.8
129.03978	2.9
131.01906	21.2
133.03477	5.6
134.99722	1.3
137.00830	4.0
137.02957	7.8
139.02425	5.7
141.03897	1.1
142.03441	2.0
142.96626	1.0
143.01907	33.4
145.03467	30.8
145.04626	1.5
147.01407	5.3
147.05034	2.1
149.02956	1.2
151.03918	1.6
153.03969	1.2
155.01895	34.5
156.02570	1.6
157.03493	27.7
158.03665	1.7
158.06636	1.5
161.02966	61.5
163.04521	4.2
167.01912	23.5
169.03517	4.8
170.96001	1.5
171.05043	4.7
173.02975	30.3
174.03210	1.6
175.04543	10.6
176.07706	2.5
178.07423	1.1
179.01895	10.7
179.04039	1.9
181.03471	1.1
184.04462	1.4
185.02971	86.6
186.03125	1.6
187.04520	8.2
187.61082	1.8
188.97101	4.1
189.06126	1.2
191.04010	2.2
197.02971	33.5
199.04578	1.9
203.02214	1.8
203.04019	21.1
203.05899	1.1
205.05545	1.1
206.98157	2.1
208.04539	2.0
209.03018	1.6
215.03992	11.0
220.99809	1.0
221.03012	1.5
221.05048	11.1
222.04910	1.2
227.04004	6.2
233.05116	1.7
235.50900	0.9
245.05084	68.1
245.11835	2.6
246.05318	1.7
246.18230	1.2
263.06110	4.9
264.40302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	25.1
57.03439	2.6
57.07824	1.2
58.99867	2.9
60.04501	1.3
61.02880	1.3
68.98277	2.9
69.03428	6.9
69.71169	7.5
70.06573	5.6
70.98099	2.8
70.99863	2.5
71.95256	3.7
72.08131	3.1
72.96040	2.3
79.95841	1.2
81.03399	2.9
82.06583	1.4
82.99819	8.1
84.04492	4.7
84.08141	8.7
84.96024	1.4
85.02904	3.7
86.09691	5.8
86.99333	4.0
88.04025	1.5
94.99809	1.6
97.02892	11.8
97.06492	1.3
98.20809	1.8
98.96988	2.3
98.97583	25.1
99.04431	1.4
100.07607	3.1
101.00889	65.9
102.00955	1.4
102.96875	3.3
103.00630	2.2
103.02444	2.0
104.10754	2.4
105.00378	2.0
107.04870	1.9
109.02901	2.7
112.05085	18.5
113.00867	11.2
113.03506	9.2
113.04762	2.8
113.05427	14.2
115.02428	5.8
116.07100	3.6
116.98644	14.7
118.18213	1.3
119.01926	97.3
121.01650	1.9
124.95489	3.8
125.00990	1.4
127.02405	7.4
127.03914	2.6
128.07060	1.9
129.00301	1.5
129.03983	3.1
130.05022	2.8
131.00290	1.4
131.01909	24.0
131.96136	1.7
133.03479	5.7
134.99648	4.0
136.07591	1.7
137.00827	1.7
137.02974	8.5
139.02397	4.7
142.96535	4.5
143.01898	41.7
143.03021	2.3
145.03476	25.7
146.99657	1.6
147.01404	3.5
147.05031	3.0
149.03008	2.8
152.94902	1.8
155.01894	26.4
155.04631	1.4
157.03468	26.6
159.01381	2.3
159.04997	2.3
161.02966	100.0
163.04509	2.2
167.01897	12.4
169.03444	3.9
170.96016	5.6
171.05031	3.7
173.01550	2.2
173.02969	29.2
174.99174	2.7
175.04514	12.5
179.00572	8.2
179.01904	3.9
184.04538	1.4
184.97658	1.3
185.02968	53.0
187.04552	9.2
188.97075	14.3
189.06050	1.9
191.04024	2.9
193.00180	2.8
197.02957	21.9
199.00702	1.7
199.04355	4.2
200.83224	1.3
202.98746	7.2
203.00496	2.6
203.02235	3.0
203.04012	26.8
206.98163	5.4
215.04019	10.3
217.05495	2.8
219.03862	1.8
220.99768	2.4
221.01778	9.4
221.05026	11.4
221.08171	1.8
227.03969	6.1
233.05112	2.4
244.07347	1.7
244.09886	1.8
245.02071	4.3
245.05069	96.5
245.07440	7.6
245.10492	3.0
245.12555	2.7
245.14899	2.9
246.05238	2.7
246.18126	1.7
263.02890	46.7
263.06073	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	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01867	1.4
55.05518	1.2
56.96565	11.5
57.03441	3.8
57.07078	4.8
59.58129	0.5
61.02929	1.2
67.05494	1.1
68.26901	0.5
69.03436	3.4
69.07072	7.3
70.06589	1.7
70.98121	0.9
71.60606	0.5
72.08139	0.7
73.02921	7.5
79.05497	0.8
80.09688	0.5
81.03410	1.1
81.07056	1.7
82.07417	0.5
83.04980	3.2
84.08148	3.8
84.96054	1.3
85.02889	2.3
85.06544	0.7
86.06066	0.5
86.09706	100.0
89.00806	0.5
89.03901	1.5
91.05482	2.0
93.07051	0.8
95.05019	0.7
95.08636	0.9
97.02900	3.0
97.06522	1.6
98.97587	22.0
99.04485	0.5
103.05431	0.5
105.07063	1.3
107.04948	0.9
107.08605	0.7
110.04225	0.5
110.97587	3.6
110.98275	0.7
112.99125	1.1
115.03900	0.7
115.05457	1.8
116.98626	12.1
117.03378	2.0
118.55315	0.5
119.01863	0.7
119.08561	1.3
121.02890	1.2
121.10140	1.0
124.99139	1.8
125.09618	0.8
127.00603	0.5
127.03902	0.6
128.06201	1.1
128.98589	2.5
129.07011	1.2
129.10143	0.5
130.06534	3.5
131.00168	1.1
131.01796	0.7
131.04973	0.9
131.08575	0.7
132.08105	0.9
132.10204	3.7
134.99658	5.7
137.06084	0.6
140.04953	2.1
140.98578	0.6
141.02264	4.4
142.03210	2.8
142.05261	1.0
143.00168	4.0
145.02817	4.9
146.02310	1.2
146.06035	1.0
146.99670	0.7
149.01152	0.7
149.05975	1.5
152.98615	0.8
153.00720	1.0
153.02235	1.6
153.75780	0.5
156.06786	1.0
157.06439	2.0
157.07607	11.4
158.06012	2.6
158.99686	3.0
159.03342	5.3
159.05527	3.6
159.06697	1.2
159.09290	1.0
160.07542	1.6
161.01228	2.0
162.05513	1.3
164.03430	0.6
167.02824	0.6
167.06056	1.7
169.07613	1.2
170.99690	2.8
171.03287	11.4
173.02966	0.6
174.06744	1.3
175.07538	1.0
176.03381	1.1
177.00722	1.7
177.04231	0.5
177.05505	9.5
181.06328	0.6
184.06427	0.6
185.01263	1.5
185.07120	63.1
186.05473	0.6
186.07841	2.5
187.06143	0.7
189.00739	3.8
189.04335	13.2
189.09088	1.1
194.04512	0.7
195.05492	4.9
199.18092	1.9
200.07100	0.9
201.00754	0.9
203.02187	0.7
204.06497	5.8
213.00926	0.5
213.04492	1.1
213.06812	21.7
216.10205	2.0
217.04938	0.5
217.08684	1.4
219.01871	1.0
222.07582	6.5
222.57780	0.6
224.57756	1.0
228.10399	0.6
231.01758	1.8
231.05522	1.6
231.07637	31.8
237.02866	1.3
245.09244	83.5
245.12874	12.9
245.18529	3.4
246.09615	1.4
249.02834	2.2
263.08096	0.9
267.03918	2.7
267.60944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51269	0.3
53.03933	0.5
55.05507	1.7
56.96568	2.3
67.05502	0.4
68.05030	0.6
69.03423	1.1
69.07066	0.6
70.06580	0.9
70.12551	0.3
71.01366	0.3
71.38520	0.6
72.08156	0.4
73.02934	0.5
73.06606	0.3
76.02225	1.2
79.05497	5.1
80.05009	1.2
81.03430	0.6
81.05795	3.2
81.07063	4.4
82.06570	0.6
83.04980	1.4
84.04502	1.8
84.08133	1.2
85.02896	1.1
86.06055	0.4
86.09706	1.1
87.04472	0.5
89.03908	0.6
93.07047	0.3
94.06567	1.8
96.04517	1.6
96.08134	16.8
97.02894	1.1
98.97588	2.4
105.07012	0.3
106.06580	2.0
107.04949	0.8
109.02909	0.4
111.05585	0.7
116.07143	0.5
116.98627	0.7
117.03351	0.5
119.01890	0.7
121.02866	0.4
122.02739	1.3
122.06049	0.5
124.07599	100.0
124.99113	0.8
125.07886	0.5
128.06235	0.4
129.10226	0.3
130.04985	1.4
135.04411	0.4
137.30542	0.3
138.09096	0.4
142.03235	0.5
142.04976	0.3
143.00159	1.0
145.02853	0.9
149.05948	0.4
156.04782	11.6
157.06450	0.4
158.06372	0.5
161.01242	0.7
161.03058	0.4
173.03061	0.5
177.00652	0.5
177.05492	1.3
181.08052	0.5
184.09787	1.4
185.06000	0.4
198.13312	0.3
199.07315	0.5
199.09027	8.4
201.12352	1.8
219.01819	0.3
221.03152	0.3
228.06953	1.1
229.00153	0.3
245.05205	0.3
245.07275	0.4
245.09654	7.2
245.15013	0.5
258.79099	0.3
267.03989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.50658	0.2
55.05508	0.4
56.96558	0.8
57.05814	0.5
57.58138	0.2
58.06600	0.4
67.05502	0.3
69.03410	0.4
69.07072	11.8
70.99242	0.5
79.05496	0.2
81.07057	0.3
83.04971	0.3
84.08147	0.6
86.09711	100.0
87.10018	0.4
91.05501	0.4
93.07042	0.6
95.08586	0.4
97.06538	0.5
98.97591	2.1
105.07038	0.3
107.08556	0.6
116.98624	0.9
119.08566	1.6
121.10147	0.3
131.08606	0.4
132.10201	2.1
133.10127	0.5
134.99693	0.4
141.02226	0.4
142.03232	0.4
143.00159	0.3
145.02844	0.6
153.45956	0.3
157.07561	0.4
159.03285	0.4
159.05492	0.3
163.14935	0.3
171.03345	0.9
177.05510	1.0
185.01224	0.3
185.07132	2.9
189.04433	0.7
191.14352	0.4
198.24969	0.3
199.18105	0.5
213.04704	0.3
213.06732	0.6
231.07721	1.1
245.09294	3.2
245.12994	1.3
245.18619	3.0
266.43759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05514	0.4
69.03442	0.4
69.07072	0.6
71.20983	0.6
71.75623	0.3
83.04987	0.5
86.09711	100.0
87.10038	0.4
98.97627	0.7
132.10214	3.6
142.03278	0.4
177.05396	0.4
199.18025	1.7
216.37737	0.3
245.09372	0.8
245.18600	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	246.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
53.56984	0.2
55.01836	0.3
55.05518	1.6
56.05051	0.3
56.46276	0.2
56.96566	3.6
57.03430	1.1
61.02925	0.3
66.04736	0.3
67.05508	0.3
68.05039	0.6
69.03431	0.5
69.07057	0.3
69.72232	1.7
70.06585	0.9
72.08167	0.4
72.73892	0.2
73.02927	1.6
74.06091	0.4
75.79848	0.2
79.05499	10.0
80.05023	0.8
80.05822	0.3
81.03413	0.3
81.05805	4.7
81.07063	18.7
82.06590	0.5
82.07394	0.6
83.04979	0.7
84.04511	0.5
84.08144	0.7
84.96016	0.6
85.02914	0.8
86.09734	0.3
90.98418	0.2
94.06582	2.4
95.04988	0.5
96.04514	0.7
96.08136	19.5
97.02908	0.5
98.21476	0.3
98.97593	4.6
100.07627	0.6
106.06560	3.3
107.04979	0.6
109.05258	0.4
110.97574	2.2
112.99130	0.4
116.98631	1.9
117.03338	0.3
121.02872	0.8
124.07600	100.0
125.07939	0.8
128.98601	1.5
130.06480	0.4
130.08662	0.3
131.00185	0.6
132.08095	0.3
133.06015	0.3
138.05583	0.3
143.00195	0.4
144.98132	0.3
145.02849	0.3
146.99644	0.5
155.00078	0.4
156.04875	0.3
158.99641	1.6
159.04945	1.0
163.03940	0.9
168.05466	1.0
170.11765	1.4
170.99664	1.9
173.01212	0.3
177.00768	1.0
189.00735	3.2
200.07370	2.5
204.06577	0.2
207.01820	0.3
216.06458	0.5
219.01903	1.0
225.07048	3.9
225.57086	0.5
231.01755	1.3
237.02945	0.5
241.00282	0.5
245.58522	0.3
246.08269	4.4
246.11330	0.3
246.13403	0.3
246.18246	0.4
246.24271	0.3
247.05864	0.3
249.02917	1.1
267.03976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29810	0.1
65.59386	0.1
69.91435	0.5
90.97545	0.1
91.05477	0.2
93.06998	0.2
98.20874	0.2
98.82919	0.1
99.54464	0.1
105.06989	0.1
116.04951	0.3
117.05767	0.2
128.04959	0.3
134.06003	0.1
139.70470	0.1
146.05980	0.1
165.06992	3.1
175.04025	0.2
176.06180	0.2
177.06992	0.6
190.06540	0.2
191.07263	0.6
191.19841	0.1
192.08078	3.9
202.06532	0.6
203.07307	0.3
203.14517	0.1
204.08090	1.9
205.08882	1.0
205.29317	0.1
218.08392	4.5
218.10469	0.3
219.09172	23.1
220.07591	4.8
220.09528	0.5
229.07608	8.3
230.06110	0.3
230.08385	2.6
245.07034	0.6
246.07877	2.4
247.08665	100.0
248.09027	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	247.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31509	0.4
53.03948	0.4
55.01866	0.4
55.05495	1.2
56.96563	2.1
57.07068	0.6
67.05495	1.7
67.30743	0.4
69.07060	0.9
70.06580	0.5
71.42947	0.7
79.05482	1.4
81.07056	2.3
83.04979	0.7
87.04443	0.4
88.07652	0.5
91.05481	2.5
93.07051	3.4
95.04945	0.9
95.08574	1.6
104.51561	0.4
105.07043	2.5
107.08594	1.8
109.06493	1.2
109.10133	0.7
112.11269	0.4
113.49441	0.5
115.05425	0.5
117.07003	0.9
119.08597	2.7
121.06516	0.9
121.10137	1.5
124.11240	0.4
128.04912	0.5
129.07021	0.5
131.08554	2.0
133.10103	1.5
135.08034	0.6
143.08504	1.2
145.10127	2.2
147.11658	2.3
149.09619	1.0
151.07515	0.7
156.09357	1.0
156.98158	0.6
157.10033	0.8
159.08090	1.2
159.11673	1.6
161.13280	1.6
163.03954	0.6
165.07033	3.4
169.10132	0.9
171.11700	2.6
173.09595	0.6
177.06914	0.4
183.03296	0.4
187.07414	0.6
187.11212	0.9
187.14853	1.2
189.12764	1.8
191.07170	1.2
192.08139	4.2
201.00755	0.6
201.04227	0.5
201.12729	0.6
201.16327	0.7
202.06528	0.5
203.07175	0.5
204.08034	1.8
205.08856	0.8
205.15988	0.9
211.14799	0.6
215.07027	0.6
218.08411	4.3
219.03174	0.5
219.09181	21.3
220.07588	4.6
220.09520	0.8
229.07561	7.7
229.12260	0.5
229.15895	5.1
230.08495	2.6
246.07947	2.9
247.08679	100.0
247.16876	4.0
247.20572	1.7
247.24602	5.3
248.09113	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	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03947	2.1
55.01883	3.9
55.05515	24.7
56.96552	1.9
57.07077	1.1
59.04992	0.8
62.59414	0.7
67.05511	15.2
69.03438	1.3
69.07073	5.1
69.38869	1.3
69.39272	4.7
71.04999	1.9
71.95258	0.6
79.05497	40.1
81.03444	1.0
81.06635	1.0
81.07066	12.8
83.04984	3.1
83.08619	4.1
89.07275	0.8
91.05479	10.3
93.06458	1.2
93.07050	24.1
93.07622	1.6
95.04967	3.3
95.08618	7.5
97.06535	1.3
97.10178	5.8
98.98471	2.3
100.30415	0.7
104.99281	2.6
105.07031	11.2
107.04961	40.9
107.08598	15.1
109.06509	1.8
109.10175	8.0
111.08069	1.2
111.11644	0.8
116.60928	0.7
117.07034	3.7
119.08591	7.1
121.06506	2.9
121.10141	12.8
123.08041	0.8
123.11704	2.6
125.09605	3.4
129.07027	1.0
131.08565	8.0
133.10118	4.6
135.08096	1.6
135.11714	5.3
145.10103	4.7
147.11716	3.5
149.09627	100.0
149.13271	3.3
151.11243	1.5
159.11731	4.3
161.13278	2.9
163.11203	4.2
163.14787	1.3
173.13281	3.0
175.14775	1.3
177.12773	3.1
181.00996	0.7
187.14757	1.8
188.29262	0.8
189.16367	1.1
191.14406	0.7
201.00641	0.8
201.16330	0.7
205.15837	1.0
229.19547	5.0
236.08327	0.8
247.06110	1.0
247.08675	2.8
247.17030	3.4
247.20587	87.5
248.20993	1.5
265.11047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54045	0.4
54.00246	0.4
55.01880	0.6
56.96572	0.6
58.99861	0.8
62.51393	0.4
64.78748	0.5
70.58390	1.3
70.99867	1.5
73.02930	0.5
77.00892	0.6
82.99840	8.4
84.00673	0.6
85.01425	1.0
89.00908	0.9
98.97558	0.6
101.00890	75.0
102.01004	0.5
103.02439	2.5
105.00420	0.5
107.30890	0.5
113.00874	6.6
115.02454	1.2
119.01930	100.0
120.02048	0.9
124.02484	0.7
127.02386	3.1
131.01926	13.8
133.03520	0.9
137.02960	10.0
139.02390	0.5
141.00302	1.5
142.03528	1.3
143.01910	28.1
145.03476	14.9
147.01425	1.2
149.02966	1.7
151.09370	0.4
155.01889	1.1
157.03494	4.3
159.01414	14.4
161.02969	49.9
162.03172	0.6
163.04539	1.1
171.01399	9.0
173.02979	5.9
175.04521	0.9
177.00902	1.1
177.02461	19.2
179.04019	1.3
183.01378	1.3
189.02461	49.9
191.04002	2.8
201.02457	8.9
203.04037	1.2
207.03506	12.3
219.03499	6.1
231.03439	3.4
249.04584	18.2
250.38435	0.5
267.05652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01875	5.3
55.05506	4.4
56.96573	1.2
57.03445	4.6
59.05009	1.0
61.02913	2.3
67.05505	6.1
68.99798	2.0
69.03431	29.9
69.07061	3.7
69.78179	5.5
71.04984	3.4
73.02905	3.6
79.05507	5.6
81.03419	12.3
81.07047	5.5
83.04989	1.9
83.08624	1.6
85.02908	26.2
87.00832	15.0
87.04437	1.2
91.03941	1.1
91.04944	1.5
91.05479	16.3
93.07052	8.2
95.04969	3.3
95.08607	5.2
97.02897	19.5
97.06510	4.1
98.97587	2.1
99.04458	10.6
103.05494	5.2
105.01877	5.5
105.03398	1.1
105.07030	19.0
107.04964	2.8
107.08590	6.7
108.08137	0.9
109.02895	9.0
109.06516	2.7
109.10152	2.5
110.06022	1.4
111.08080	23.4
115.05453	14.6
115.35230	0.9
116.06250	6.7
117.07010	13.1
119.04967	3.3
119.08586	16.0
121.06495	3.1
121.10152	2.5
123.04450	2.1
123.08092	1.4
124.07608	2.9
125.08407	1.2
126.09170	1.8
126.19537	0.9
127.03918	18.3
127.05378	1.6
128.06229	11.2
129.07007	25.0
130.07800	1.8
131.04907	4.1
131.08580	19.8
132.05708	2.9
133.06474	6.6
133.10129	12.4
135.08044	5.4
135.11668	1.1
137.05995	3.0
137.09563	1.7
141.06975	9.4
142.07770	5.7
143.04910	3.3
143.08551	6.2
144.05713	12.8
145.04968	3.3
145.06487	16.2
145.10130	2.7
146.03629	2.2
146.07283	2.9
147.03313	1.0
147.04425	4.6
147.08057	6.6
147.11639	3.0
149.06000	1.7
149.09596	1.5
151.07568	1.7
151.11128	0.9
152.06189	1.5
153.06978	3.3
153.09093	0.9
155.06038	3.9
156.05679	3.4
156.09355	1.6
157.06479	11.3
157.10117	4.0
158.07274	2.9
158.99879	1.0
159.02907	3.1
159.04430	4.5
159.08064	33.1
159.11696	2.5
160.05177	4.2
161.06001	9.5
161.09619	11.9
161.13261	11.4
163.07547	1.9
165.09114	1.2
169.06390	1.6
169.07626	4.9
170.07259	9.9
170.10713	1.1
171.04405	3.0
171.08035	7.6
172.05168	3.6
173.05992	8.6
173.09645	1.8
174.06766	3.4
175.07561	9.0
175.14862	3.8
177.05481	2.0
178.06287	1.0
179.07050	2.8
179.10657	1.1
184.16179	1.0
185.13252	5.9
186.06802	1.2
187.07567	23.0
188.08156	1.3
189.05467	8.8
189.06920	1.2
189.07448	1.5
189.09103	12.2
189.12737	2.5
190.06183	1.2
191.07013	2.1
193.08630	1.4
197.39468	0.9
198.06764	1.1
199.07524	3.1
201.05478	3.4
203.07094	8.3
203.14354	7.4
204.07825	16.0
205.04959	1.8
205.08565	2.8
206.09360	1.0
207.02921	1.2
213.12778	2.7
216.07745	5.4
217.04951	8.6
217.08432	2.0
219.10124	4.2
221.11742	3.6
231.04712	1.4
231.06703	1.8
231.10277	6.7
231.13760	33.8
249.03900	2.9
249.07668	5.0
249.11235	100.0
249.14919	30.9
249.20480	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01861	1.0
55.05503	0.8
57.03450	0.6
64.51357	0.8
67.05499	0.8
69.03417	2.1
69.07094	0.6
70.57514	0.7
71.11141	1.3
79.05491	1.2
81.03394	1.3
81.07052	0.8
85.02890	1.2
91.05480	8.9
93.07081	0.9
94.51228	0.6
95.04958	1.3
97.02888	1.6
98.21421	0.6
98.97590	1.6
103.05456	2.0
105.07038	3.5
105.24081	0.7
107.04955	1.6
107.08651	1.0
112.28851	0.8
115.05458	7.0
116.06255	3.7
117.06996	4.4
119.04961	1.1
119.08555	1.2
127.03902	1.3
128.06230	9.4
129.07013	22.2
130.07771	0.9
131.04936	1.9
131.08575	19.8
132.05751	1.5
133.06528	3.6
133.10139	1.8
141.01358	0.6
141.06987	10.2
142.07780	4.4
143.04935	1.2
143.08569	3.5
144.05707	10.8
145.06497	6.1
146.07310	3.6
147.04396	2.2
147.08002	0.8
152.06175	0.6
153.06975	2.4
155.06076	1.8
156.05716	1.5
157.06511	10.3
158.07239	3.2
159.04416	1.6
159.08057	27.3
160.05206	2.0
161.05971	4.1
161.09627	7.1
167.07040	1.4
169.06517	1.2
169.07652	2.6
170.07268	8.8
171.04401	1.7
171.08040	7.5
172.05150	3.0
173.06006	4.6
174.06787	2.3
175.07538	3.0
177.05423	1.0
178.06224	1.1
185.06071	1.1
187.07558	20.6
188.08363	1.5
189.05501	4.4
189.09108	10.1
190.06223	1.5
191.06979	1.4
198.06781	2.0
199.07570	3.3
201.05489	1.9
202.06209	0.8
203.07022	7.1
203.08791	1.0
204.07822	12.4
205.05087	0.7
205.08676	2.1
206.09421	1.6
216.07808	4.3
217.04893	0.8
217.08582	1.6
218.09381	1.2
219.10158	1.9
221.08186	1.3
221.11684	3.3
231.10114	7.5
249.11226	100.0
250.11554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03947	0.4
55.01862	1.1
57.03421	1.4
59.31626	0.4
61.02933	0.5
67.05519	0.6
69.03431	2.7
69.54286	3.2
71.04987	0.5
73.02895	1.4
73.10995	0.4
76.17099	0.4
76.94710	0.4
79.05490	1.0
81.03400	1.2
81.07056	0.5
85.02914	2.7
87.00826	1.2
91.05482	8.4
93.07052	0.8
95.04978	0.5
97.02890	1.6
98.97575	1.6
99.04454	0.5
103.05463	1.6
105.01851	0.5
105.07031	5.3
107.04952	2.3
107.08596	0.5
109.02876	0.8
109.57790	0.4
110.97551	0.4
115.05449	5.6
115.18762	0.4
116.06231	3.6
117.06995	2.9
119.04925	0.8
119.08616	0.5
121.06481	1.0
127.03914	1.6
128.06226	9.9
129.07010	21.2
130.07782	1.3
131.04901	2.0
131.08574	16.7
132.05695	1.6
133.06500	3.6
133.10136	1.3
139.05345	0.4
141.06998	9.9
142.07790	3.9
143.04933	0.8
143.08575	3.3
144.05701	10.2
145.05296	0.6
145.06480	6.0
145.10139	0.5
146.07271	3.3
147.04445	1.6
147.08002	0.6
152.06216	0.9
153.06966	2.1
153.57320	0.4
155.04941	0.8
155.06079	1.8
156.05644	2.0
157.06493	9.4
157.07715	0.7
158.07300	2.4
159.04379	0.7
159.08061	27.0
160.05193	1.6
161.05988	3.9
161.09605	6.5
162.04427	1.0
167.07079	1.0
168.05852	0.5
169.06398	2.0
169.07722	2.8
170.07277	8.8
170.99756	0.4
171.04626	1.8
171.08051	6.1
171.54924	0.5
172.05226	3.2
173.06020	4.3
174.06758	2.3
175.04030	0.5
175.07539	3.0
177.05473	0.9
178.06206	1.1
179.03717	0.5
184.05161	0.6
185.06029	1.3
186.06834	0.6
187.07544	17.6
188.08223	1.0
189.05466	3.5
189.09093	9.1
190.06224	1.4
191.07068	1.2
193.08609	0.9
198.06766	1.6
199.07533	3.5
201.05466	1.3
203.07028	5.6
204.07826	11.7
205.08647	1.9
206.09360	1.0
215.23201	0.4
216.07823	3.8
217.08569	0.8
218.09364	1.6
219.10213	2.4
221.04762	0.6
221.08260	0.9
221.11781	3.5
228.06529	1.9
231.10152	6.4
234.08902	0.6
249.11232	100.0
249.20387	1.1
250.11499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.39959	0.5
57.03411	0.6
65.03934	0.6
67.05527	0.7
69.03407	1.3
69.76002	3.2
72.21309	0.5
79.05469	0.8
91.05476	7.6
91.31676	0.5
97.02922	0.7
103.05437	1.6
105.07002	3.4
107.04943	1.7
115.05446	6.9
116.06254	4.1
117.07021	3.2
118.07764	0.8
128.06230	11.3
129.07011	21.4
130.07802	0.7
131.04941	3.6
131.08571	16.9
132.05690	1.3
133.06468	2.9
133.10159	1.4
141.06992	11.2
142.07791	4.2
143.04898	2.1
143.08548	4.0
144.05699	11.1
145.06500	6.6
146.03593	1.1
146.07277	3.1
147.04375	1.1
147.08054	1.0
152.06244	1.2
153.06963	2.2
154.76573	0.6
155.05984	1.6
156.05679	2.1
157.06482	11.1
158.07256	2.3
159.08058	30.7
160.05183	2.4
160.08824	0.8
161.05966	4.3
161.09628	7.1
167.07025	1.0
169.06418	1.5
169.07637	2.8
170.07281	8.5
171.04417	0.8
171.08034	6.6
172.05211	3.2
173.05956	5.0
174.06783	2.7
175.07578	4.8
177.05444	0.9
178.06213	1.1
181.07707	0.8
184.05124	0.7
185.05969	1.0
186.06837	1.0
187.07536	19.2
188.08246	1.9
189.05449	3.7
189.09126	9.3
190.06201	1.6
191.07098	1.2
198.06827	2.6
199.07501	2.5
201.05507	2.1
203.06993	7.0
204.07831	14.3
205.05008	0.7
205.08524	2.9
206.09383	0.8
216.07849	4.4
217.08473	1.2
218.09390	1.4
219.10182	1.8
221.08208	0.7
221.11734	3.6
231.10187	7.2
236.76065	0.6
249.11229	100.0
250.11732	0.8
267.58841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01873	0.6
67.05489	1.3
69.03415	1.4
69.07068	0.6
70.87763	1.1
70.88103	1.0
75.96542	0.6
79.05489	0.8
81.07052	1.1
85.02896	0.8
91.05489	7.7
93.07052	0.7
95.04951	0.9
95.08603	0.9
97.02934	0.9
98.97573	1.0
103.05463	1.8
105.07027	3.9
107.04950	2.0
107.08549	0.7
109.06491	0.7
111.08128	0.7
111.21558	0.5
115.05470	6.6
116.06252	4.7
117.07021	5.6
119.08592	1.4
128.05356	1.1
128.06233	10.9
129.07013	20.7
130.07809	0.9
131.04936	2.5
131.08574	18.0
132.05682	1.5
133.06511	4.2
133.10101	1.9
135.07986	0.6
139.05368	0.6
141.06993	9.8
142.07780	4.3
143.04927	1.2
143.08577	3.5
144.05710	9.5
145.06493	7.3
145.10162	0.7
146.03561	0.6
146.07262	3.2
146.61957	0.6
147.04407	1.3
147.11668	0.6
152.06232	1.0
153.07031	2.0
155.06038	2.1
156.05693	2.2
157.06519	10.4
158.07265	2.6
159.04442	2.0
159.08057	30.2
160.05226	1.9
161.05986	4.3
161.09618	7.0
167.07045	1.4
169.06412	1.4
169.07668	2.9
170.07263	7.6
171.04436	2.2
171.08084	6.1
172.05212	4.3
173.05983	5.0
174.06798	2.2
175.07582	3.4
177.05513	0.6
178.06258	0.8
184.05243	0.6
186.06813	0.8
187.07553	20.4
188.08316	1.3
189.05502	4.4
189.09117	9.2
190.06308	1.2
191.07063	1.7
193.08623	1.0
198.06787	1.8
199.07579	2.8
201.05476	1.5
201.24809	0.6
203.07047	6.9
204.07826	12.8
205.08575	2.0
206.09380	1.0
216.07846	3.8
217.04959	2.0
217.08638	1.0
218.09438	1.6
219.10115	1.9
221.08136	1.1
221.11681	4.7
231.10193	7.4
231.13748	1.3
231.19376	1.6
234.08890	1.0
249.04016	2.0
249.11240	100.0
249.20525	3.8
250.11603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.68327	0.4
55.01879	0.5
55.05505	0.5
56.96561	0.4
57.03434	0.9
62.14024	0.4
65.37988	0.4
66.39672	0.4
67.05498	1.3
69.03413	1.5
69.96668	0.7
69.97055	1.2
79.05487	1.3
81.07057	1.5
85.02916	0.6
87.78738	0.4
91.05483	8.3
93.07044	1.9
95.05000	2.0
95.08602	1.7
97.02895	1.0
98.97575	1.7
103.05466	1.6
105.07032	5.1
107.04963	1.6
107.08593	1.2
109.06509	0.7
109.10091	0.5
115.05441	6.1
116.04851	0.4
116.06251	4.3
116.98560	0.5
117.07019	4.1
119.04943	1.4
119.08611	2.0
121.06526	0.8
121.10139	0.9
123.04443	0.9
128.06218	10.0
128.07106	0.7
129.07011	20.8
130.07765	1.0
131.04924	2.3
131.08574	18.3
132.05721	1.4
133.06473	3.1
133.10133	2.5
137.09692	0.5
139.05392	0.5
141.06999	9.8
141.08099	0.7
142.07788	4.5
143.04953	1.0
143.06070	0.6
143.08557	4.5
144.05710	10.7
145.06511	5.6
145.10123	0.7
146.03625	0.7
146.07271	3.6
147.04440	2.7
147.08066	0.8
147.11571	0.5
151.03891	1.1
152.06232	1.4
153.07018	3.0
155.04926	0.7
155.06085	2.2
156.05716	2.0
157.06499	11.1
158.07259	2.7
158.99638	0.8
159.04453	1.2
159.08060	32.1
160.05211	1.2
161.05995	4.1
161.09624	7.6
161.13284	0.8
163.07565	0.5
167.07016	1.2
169.06490	1.8
169.07762	2.7
170.07269	8.8
171.04431	1.8
171.08052	7.0
172.05159	3.4
173.05997	4.6
174.06792	2.2
175.07516	2.4
175.14760	0.4
177.05481	1.1
178.06273	1.1
179.03389	2.0
185.05942	1.4
185.13245	0.6
186.06749	1.0
187.07550	17.7
188.08267	1.3
189.05482	4.2
189.06900	0.5
189.07233	0.6
189.09105	9.1
190.06207	0.9
191.06987	1.3
193.04973	0.6
193.08597	0.6
198.06790	1.9
199.07536	3.8
201.05493	1.8
203.03462	0.6
203.07048	6.5
204.07829	13.2
205.08635	2.3
206.09410	1.5
207.02925	2.6
216.07828	3.9
217.04939	0.6
217.08522	0.8
218.09328	1.6
219.10124	2.6
221.04454	1.3
221.08116	0.8
221.11720	3.2
231.10144	7.6
231.13686	2.5
231.17323	0.6
234.08971	0.7
249.04050	7.0
249.11237	100.0
250.11617	1.2
263.26288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96568	33.6
63.74111	0.4
67.05492	1.5
69.07060	0.7
71.59433	0.6
71.95267	2.5
72.96020	1.0
74.97607	0.6
79.05477	1.3
81.07072	2.4
81.07462	0.4
83.97630	0.7
84.96014	1.6
85.06502	0.5
91.05471	1.9
93.07039	1.6
95.04973	1.2
95.08594	1.4
96.98404	5.3
97.02850	0.5
97.99168	1.0
98.97569	0.8
103.05465	0.9
105.07025	1.8
107.08572	1.3
109.06475	0.6
109.10145	1.1
109.99141	0.5
114.99435	3.5
116.00236	0.6
117.07002	0.9
119.04978	0.6
119.08578	1.2
121.10155	1.2
128.00218	0.7
129.98111	0.7
131.08572	0.6
132.78360	0.4
133.00517	0.8
133.06470	0.7
133.10127	1.2
135.08044	0.6
135.11647	0.5
137.05962	0.6
141.02199	0.5
141.07034	0.6
145.03358	0.4
146.01262	1.2
147.04387	1.7
150.05534	0.7
151.03891	1.5
157.01752	0.5
159.03336	0.6
159.08051	1.0
161.09685	0.5
162.04350	0.7
165.05722	0.7
169.01701	0.9
175.03896	0.8
179.03410	2.7
185.04887	1.0
185.13330	0.6
187.07561	0.7
193.05051	0.7
203.03452	0.9
203.05818	1.0
207.02913	6.2
208.10001	4.3
210.08121	1.0
211.06557	0.9
211.08835	0.7
211.56465	0.5
221.04472	0.8
224.09563	2.0
225.08081	1.1
226.11154	100.0
227.11494	1.3
231.13811	0.9
242.10585	1.1
244.12221	37.1
245.12517	0.6
249.03938	10.0
249.06854	0.5
249.07283	0.5
249.12726	4.0
249.15056	1.2
249.18578	1.8
249.22133	1.1
267.13806	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	249.1486
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03954	1.3
55.01873	1.9
55.05518	5.3
56.96559	1.7
57.03431	2.0
67.05509	6.7
69.03439	5.9
69.07066	5.5
70.12342	0.9
70.88072	2.3
71.04986	1.6
79.05491	8.3
81.07060	8.1
83.05007	1.3
83.08627	2.1
85.02879	1.2
85.06519	1.1
91.05489	16.3
93.07036	10.0
95.04968	6.3
95.08610	5.6
97.02911	1.0
97.06542	7.8
98.97574	4.4
103.05438	2.3
105.03345	1.2
105.06477	0.8
105.07032	28.2
107.04941	3.4
107.08598	18.1
109.06566	5.0
109.10165	3.4
111.08087	51.9
115.05458	7.2
116.06216	3.9
117.07036	7.3
119.04993	1.3
119.08589	32.1
121.06498	3.9
121.10132	4.6
123.04420	3.2
123.08070	2.7
128.06223	9.1
129.07010	22.0
131.04916	2.6
131.08571	22.7
132.05725	1.5
133.06470	7.7
133.10138	25.4
135.08078	9.8
136.68071	0.9
137.05977	1.8
137.09608	2.0
141.06982	8.1
142.07803	5.0
143.04932	2.0
143.08597	8.7
144.05710	10.1
145.06519	7.6
145.10130	3.4
146.07286	3.6
147.04370	3.2
147.08044	11.0
147.11699	5.5
151.07587	1.4
153.07024	2.5
153.09108	3.0
155.06039	2.8
156.05685	2.1
157.06509	11.3
157.10101	4.9
158.07277	2.5
158.99690	1.2
159.04459	1.9
159.06807	1.7
159.08070	27.8
159.11671	5.5
160.05237	1.5
161.06015	6.0
161.09630	14.8
161.13269	22.3
162.99681	1.1
165.08998	1.2
167.07076	1.7
167.12624	1.3
169.07687	4.8
170.07246	8.0
170.10936	1.7
171.04459	1.8
171.08032	8.0
171.11644	1.5
172.05234	2.5
173.01128	1.2
173.06015	4.5
173.09680	3.6
174.06810	3.0
175.03911	1.7
175.07541	3.8
175.11182	2.3
175.14815	8.4
177.05504	1.2
178.06311	1.0
179.03413	1.8
179.07054	8.0
183.08105	1.2
185.13278	4.5
186.06697	1.0
187.07536	19.8
188.08263	2.2
189.05472	4.0
189.09114	11.0
189.12737	2.7
190.06242	1.6
191.07062	1.2
193.08638	2.3
198.06740	1.7
199.07513	2.7
201.05479	1.9
203.07120	5.2
203.14330	17.0
204.07851	13.3
205.08615	2.8
206.09407	2.0
207.02924	3.6
213.12865	2.3
216.07809	4.5
217.04958	1.3
217.08650	1.3
218.09464	1.4
219.10139	2.6
221.08072	1.3
221.11751	4.4
231.10419	6.7
231.13805	62.1
234.08864	1.3
249.03970	8.1
249.11226	100.0
249.14859	71.4
249.20454	7.4
250.11609	1.2
250.15146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03937	1.5
54.44111	1.2
55.01873	1.7
55.05508	6.8
56.87280	1.2
56.96565	4.5
57.03432	1.9
57.07062	3.5
59.05023	1.6
59.97139	1.1
65.03933	1.5
67.05508	12.4
69.03127	1.5
69.03437	19.4
69.07086	6.4
71.04974	1.9
71.60002	1.6
79.05515	9.7
81.03415	2.3
81.07061	20.8
83.04987	10.3
83.08636	2.8
85.02908	1.9
85.06536	1.6
91.04951	2.5
91.05489	29.8
93.07058	21.1
95.04984	11.3
95.08608	14.9
97.02903	1.6
97.06525	4.2
98.97602	2.8
99.47316	1.2
103.05458	3.7
105.03401	1.3
105.07039	17.1
107.04951	4.2
107.08595	13.4
109.02884	2.2
109.06535	9.9
109.10178	5.9
110.07294	2.9
111.04404	2.9
111.08087	8.7
114.50378	1.6
115.05468	9.2
116.06241	3.8
117.07015	8.1
119.04929	5.7
119.07780	2.4
119.08592	32.9
121.06519	8.4
121.10168	7.6
121.41426	1.2
122.07317	1.3
123.04445	1.2
123.08069	2.9
123.11691	1.2
125.09688	1.6
128.06233	8.8
129.07013	24.6
130.07777	2.4
131.04929	4.2
131.08583	23.6
132.04445	1.7
132.05719	1.9
133.06509	9.5
133.10135	9.7
135.08083	6.1
135.11708	1.8
137.05977	4.0
137.09604	7.3
139.07559	1.5
141.07008	12.0
142.07784	6.1
143.04953	1.3
143.08615	6.0
144.05745	10.2
145.06477	8.8
145.10123	5.4
146.07251	3.0
147.04413	5.4
147.06902	2.4
147.08064	39.2
147.11707	5.5
149.09651	2.0
150.05501	1.4
151.03946	2.1
151.11256	1.3
152.14311	1.7
155.06064	4.5
156.05774	2.1
157.06502	10.3
157.10127	3.3
158.07266	3.5
159.08066	29.1
159.11624	2.3
160.05231	3.1
161.06009	7.3
161.09642	12.9
161.13246	7.3
163.11221	2.0
165.05487	12.8
165.06848	2.1
165.09126	2.3
169.06477	3.5
169.07692	2.9
170.07268	7.9
171.04405	3.4
171.08038	8.2
171.11653	3.5
172.05168	3.0
173.05997	5.3
174.06764	3.4
175.07555	9.8
175.11230	1.6
175.14850	4.9
177.05469	2.7
179.03365	3.7
179.07028	1.7
185.13216	3.4
187.07582	20.6
189.05489	5.4
189.09145	12.4
189.12759	8.3
189.16338	2.3
190.06223	1.9
190.64383	1.4
191.07054	3.0
191.10704	2.4
193.08588	1.9
198.06856	1.5
199.07489	3.9
201.05566	2.0
203.03499	1.9
203.07135	7.7
203.14334	7.1
204.07838	11.9
205.08502	2.4
207.02921	7.7
213.12836	3.0
216.07816	4.1
217.04936	1.7
217.08514	1.9
219.10123	3.5
221.04552	1.3
221.08084	1.6
221.11667	3.2
231.10162	7.3
231.13805	10.5
231.17447	3.0
234.08821	1.7
249.03949	19.9
249.11224	100.0
249.14868	37.6
249.18573	5.3
249.25188	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	249.1486
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03951	0.8
53.67276	0.6
55.01858	1.9
55.05509	4.1
56.96560	1.7
57.03414	0.7
57.07087	0.7
59.04991	0.7
65.03945	1.0
67.05508	6.1
67.51777	0.5
69.03433	6.3
69.07082	5.0
69.45052	4.5
71.04978	0.8
79.05499	5.6
79.33559	0.6
81.03422	1.8
81.07058	6.0
83.04961	1.1
83.08618	1.5
84.08134	0.6
85.02904	0.8
85.06507	0.7
91.05485	16.2
93.07050	9.0
93.94025	0.7
95.04967	6.2
95.08631	4.6
97.02897	0.9
97.06541	3.9
97.10175	0.6
98.97577	1.7
99.08099	0.6
102.04706	0.9
103.05482	3.3
105.07032	18.3
107.04955	3.8
107.08605	11.3
109.02905	0.8
109.06522	3.6
109.10155	2.6
111.04490	0.7
111.08081	33.5
115.05460	6.9
116.06241	4.4
117.07031	6.8
119.04924	2.1
119.08581	20.7
121.06508	3.2
121.10139	2.5
123.04473	3.4
123.08061	2.2
123.11694	0.7
125.09687	0.7
127.03960	0.7
128.06230	12.2
129.07005	24.4
130.04155	0.6
130.07832	1.0
131.04929	2.7
131.08575	20.9
132.05708	1.7
133.06493	6.9
133.10129	19.5
135.08063	6.7
135.11707	0.8
137.05983	1.8
137.09634	1.7
139.07552	0.9
141.06982	10.9
142.07790	4.7
143.04892	1.5
143.08578	7.6
144.05705	11.1
145.06485	8.3
145.10158	4.2
146.03645	1.0
146.07256	4.0
147.04474	1.8
147.08064	7.7
147.10663	0.7
147.11690	4.4
149.05902	0.9
149.09596	1.3
151.07564	1.4
152.06244	0.8
152.14349	2.3
153.05550	0.6
153.07011	2.4
153.09106	2.0
155.06041	1.8
155.08582	0.7
156.05719	2.3
157.06496	10.4
157.10123	2.9
158.07295	2.4
159.04414	2.0
159.08063	29.2
159.11684	3.6
160.05228	1.0
160.08781	1.0
161.05995	6.0
161.09631	13.1
161.13264	16.0
163.07513	0.7
163.11200	1.1
165.09116	1.1
167.07001	1.0
169.06436	1.5
169.07672	2.8
170.07272	9.5
170.10884	1.2
171.04402	1.7
171.08066	7.8
171.11739	1.4
172.05196	3.2
173.05971	6.0
173.09589	2.4
173.13268	0.8
174.06747	2.4
175.07568	4.7
175.11250	1.8
175.14853	5.7
178.06230	1.7
178.07703	0.9
179.07051	4.8
184.05211	0.7
185.06020	1.4
185.13258	4.3
186.06717	1.2
187.07550	19.7
187.14806	0.8
188.08302	0.9
189.05501	5.9
189.06903	0.7
189.07222	0.7
189.09096	11.4
189.12744	2.5
189.16319	0.9
190.06244	1.2
191.06966	2.0
193.08662	1.5
198.06760	2.6
199.07465	3.4
201.05464	1.8
203.07094	6.8
203.10469	0.8
203.14308	13.0
204.07828	15.1
205.08563	2.4
207.02899	1.4
207.13782	1.1
213.12778	2.7
216.07784	4.4
217.04997	1.3
217.08615	1.4
218.09431	0.9
219.10126	2.5
221.08072	0.9
221.11609	4.2
231.10298	7.2
231.13800	32.7
232.14105	0.8
234.08885	0.7
249.03949	2.3
249.11221	100.0
249.14857	52.7
249.18372	2.2
249.23289	1.1
250.11609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	2.7
55.01878	2.4
55.05508	6.0
57.03416	1.4
62.84397	1.4
65.03944	2.8
67.05508	7.0
69.03404	8.3
69.07081	7.3
70.94166	3.6
77.03951	1.3
78.59615	1.5
79.05507	9.8
81.03418	2.0
81.07060	9.1
83.08633	2.4
91.05480	21.8
93.07048	14.2
94.58865	1.4
95.04968	7.3
95.08613	7.0
97.06540	7.8
98.97579	4.4
103.05478	1.6
105.03415	1.8
105.06373	2.9
105.07041	39.8
107.04935	2.1
107.08603	18.2
109.06516	5.5
109.10164	4.3
111.08084	85.5
113.37765	1.5
115.05465	8.6
115.39236	1.3
116.06226	3.1
117.07034	8.6
119.04975	3.1
119.08586	42.4
121.06479	3.4
121.10152	5.2
123.04455	4.6
123.08082	3.0
128.06256	9.2
128.95958	1.3
129.07016	20.0
131.05002	1.8
131.08572	20.1
132.05730	1.9
133.06505	8.7
133.10143	39.1
135.08057	16.0
137.06036	2.1
137.09624	4.8
141.07019	13.1
142.07784	5.9
143.08591	6.9
144.05693	9.6
145.06473	8.5
145.10135	7.0
146.07291	1.9
147.04443	2.2
147.08069	16.1
147.11694	7.1
149.09732	1.9
151.07547	2.2
153.07059	1.8
153.09100	3.4
155.06070	2.7
156.05701	1.6
157.06482	10.0
157.10136	5.4
159.06827	1.9
159.08067	23.5
159.11652	7.5
160.05243	2.1
161.06013	6.4
161.09624	14.7
161.13268	34.7
162.85091	1.3
165.09103	2.9
169.06380	1.6
169.07681	2.8
170.07281	7.9
170.10921	2.5
171.08049	6.3
171.11783	1.7
172.05205	2.2
173.06015	4.6
173.09639	5.4
174.06726	2.3
175.07574	2.7
175.11156	3.0
175.14842	13.1
179.07025	12.9
181.08604	1.5
185.13272	6.1
187.07555	20.6
189.05492	3.9
189.09108	9.2
189.12764	4.5
190.06271	2.7
191.07071	1.6
198.06815	1.8
199.07515	2.4
201.05336	2.1
203.07036	5.6
203.14337	29.7
204.07845	13.1
205.08585	3.4
212.14842	1.5
213.12819	3.5
217.04887	1.7
219.10167	3.0
221.11740	4.4
231.10487	6.6
231.13803	100.0
249.03906	1.9
249.11234	88.9
249.14877	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
52.00135	0.9
53.03951	20.2
55.01880	6.3
55.05516	31.0
56.96553	1.1
57.03431	2.3
57.07084	5.8
59.04987	2.9
59.63206	0.9
65.03942	1.1
67.05510	50.9
69.03413	2.8
69.07072	40.2
69.31817	7.9
71.04984	2.0
71.08636	2.4
79.05499	23.7
81.03423	69.3
81.07063	50.2
83.04987	16.5
83.08619	11.0
85.06541	1.6
85.10169	4.1
91.05483	12.2
93.07043	22.7
95.04974	37.0
95.08039	1.5
95.08615	26.0
97.06546	4.8
97.10172	11.2
103.05447	1.1
105.06385	1.1
105.07042	19.1
107.08593	16.9
109.06530	11.2
109.10161	18.0
111.08076	1.2
113.09667	2.6
113.77704	0.9
117.06998	1.7
119.04963	1.5
119.08589	13.8
121.10164	11.9
123.04503	1.2
123.08060	4.0
123.11706	8.6
125.09623	3.5
127.13033	1.1
131.08553	2.5
133.02858	1.3
133.10146	17.6
135.08003	1.6
135.11740	6.6
137.09607	2.9
137.13266	2.9
139.11218	2.0
145.06416	1.1
145.10181	1.3
147.04390	2.3
147.08092	1.4
147.11691	7.2
149.13219	3.0
151.03914	2.6
151.11192	43.8
151.14786	1.3
153.12761	2.2
157.10107	1.5
161.09644	1.8
161.13249	5.5
163.14815	2.2
165.05478	1.0
165.12782	12.6
173.13300	1.5
175.03929	2.0
175.11258	1.4
175.14851	4.1
177.16408	2.4
179.03398	4.6
179.14310	8.2
189.16371	2.7
191.17940	2.7
193.04941	2.2
193.12251	2.6
193.15938	1.3
203.03389	1.3
207.02904	14.2
207.17355	1.1
221.04527	2.4
231.17599	2.1
231.21088	9.3
249.03969	21.7
249.18547	13.4
249.22162	100.0
250.22522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1094
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
55.01878	0.3
55.05492	0.3
56.96563	0.6
57.03432	0.5
58.10320	0.2
66.01088	0.2
67.05503	0.4
69.03422	1.0
70.06583	0.8
70.92423	0.3
70.92728	0.3
70.99632	0.2
71.04988	0.7
72.08150	0.7
72.45094	0.3
73.02926	1.2
79.05466	0.3
81.03406	0.8
84.04525	0.5
84.08139	1.3
85.02901	0.4
86.09700	0.4
90.09178	0.3
94.04016	0.5
97.02907	0.5
98.06104	0.3
98.20835	0.3
98.97552	1.2
98.98471	5.9
99.04448	1.0
105.07022	1.3
108.05627	0.3
109.02860	0.4
110.07176	0.4
110.77435	0.2
110.97554	0.2
116.98582	0.4
117.05495	2.1
119.03568	1.5
121.02872	1.2
122.06047	0.4
124.07520	0.3
128.98618	0.3
129.10236	0.4
130.26639	0.2
133.06468	0.9
136.06190	100.0
137.04582	0.3
137.06648	0.3
146.03290	0.4
151.03902	0.7
158.99686	0.4
160.07608	0.5
161.01196	0.4
161.06003	0.9
161.07986	0.4
164.07048	0.3
167.07018	0.3
172.21420	0.3
177.00829	0.3
178.05859	0.6
178.07173	1.4
179.08116	0.3
193.08571	1.1
206.08234	0.4
207.08102	0.6
216.08820	0.6
234.07883	0.3
234.09743	1.3
235.11661	0.7
252.10860	1.8
252.16238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
56.96584	0.3
57.03431	0.3
69.40517	1.7
77.11858	0.3
79.05502	0.7
81.07069	2.8
91.05482	0.6
94.04045	1.5
98.20731	0.4
98.21305	1.0
98.98470	1.1
109.05132	0.3
119.03545	2.3
120.08121	1.0
129.10303	0.3
136.06189	100.0
137.04643	1.2
154.62253	0.3
195.40282	0.3
197.06186	0.3
206.08112	0.5
223.60291	0.3
234.13503	16.1
237.20789	0.2
252.14561	53.8
253.14787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85192	0.7
56.96569	81.3
57.07073	0.9
63.94135	0.5
67.05508	1.7
69.07053	0.9
70.80102	0.5
71.59849	0.8
71.95271	15.1
72.96049	5.3
74.97629	1.0
76.04817	0.6
79.05522	1.0
81.07069	1.8
84.96046	2.4
86.97598	0.7
91.05495	1.1
93.07066	1.1
93.93987	0.6
95.04979	0.7
95.08614	1.9
97.96800	1.4
98.98473	28.7
105.00172	2.3
105.07005	1.1
109.10223	1.0
110.97565	5.5
115.00682	0.6
119.01728	2.7
123.01225	2.1
126.81725	0.6
127.00692	0.7
128.98608	3.6
129.02209	0.5
132.62997	0.6
133.01756	0.7
133.03331	0.6
133.10161	1.1
137.02754	4.3
143.00150	0.9
146.99619	1.4
149.02718	0.7
151.04329	2.7
155.03827	2.3
159.03310	0.6
165.02271	0.8
165.07088	0.7
169.05362	2.7
177.05833	1.3
179.07379	1.6
195.06905	0.9
197.08562	1.7
199.06429	0.8
221.08420	1.0
223.09970	5.6
229.07445	1.1
235.10030	10.0
241.11130	70.9
242.11473	0.9
253.11128	100.0
254.11525	1.1
259.12192	60.3
260.12421	1.1
264.12762	4.4
271.12183	91.8
272.12622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1184
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.69707	0.4
56.96555	1.8
57.03432	0.7
57.07063	0.8
60.04525	60.8
62.46859	0.5
67.05490	0.6
69.03420	1.0
69.07068	0.5
69.93334	1.4
69.93737	0.8
70.02938	0.7
70.06602	1.0
72.08164	0.9
73.02900	0.5
79.05474	0.9
81.07047	1.2
83.04957	0.5
84.08154	0.9
85.02928	0.8
87.05582	2.6
88.76987	0.4
91.05487	1.0
93.07022	1.3
95.04971	1.1
95.08595	1.1
97.02869	0.5
98.21463	0.9
98.98465	36.4
100.98901	0.5
103.05465	3.6
105.07037	1.3
107.04963	1.6
110.07220	1.2
114.27569	0.6
116.99456	0.8
120.08104	100.0
121.08470	1.1
127.03920	1.2
131.04913	2.8
132.08086	1.0
136.06200	0.7
136.07524	0.7
137.06033	0.6
143.00099	0.5
144.08067	1.8
149.05980	2.1
151.03882	0.6
158.99689	0.5
159.02863	1.6
160.07535	0.8
162.09154	2.4
166.08638	58.2
176.99045	0.8
189.10251	0.6
197.11749	0.8
206.08228	0.7
207.11296	13.2
219.04962	2.4
221.04793	0.5
235.10866	3.2
253.11826	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	253.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08052	0.5
55.01857	0.9
55.05508	3.0
56.96576	1.2
57.03430	2.0
57.07061	0.6
65.03921	0.6
67.05509	7.6
69.03416	1.5
69.07081	3.9
71.04974	1.7
77.19822	0.5
79.05498	3.9
81.03426	0.6
81.07059	9.5
82.14340	0.5
83.04983	1.6
83.08606	1.5
85.02886	0.8
85.06539	1.7
91.05485	4.0
93.07049	4.0
95.04954	1.2
95.08122	0.6
95.08624	7.4
97.06542	1.6
97.10191	1.0
98.98476	43.4
99.04436	0.8
99.08089	0.9
100.03312	0.5
101.06020	0.5
105.07048	4.9
107.08600	3.7
109.02882	0.6
109.06508	2.8
109.10145	4.6
111.08112	1.6
116.98645	0.8
116.99505	0.8
119.08579	2.5
121.02867	1.1
121.06567	0.8
121.10203	2.6
123.08074	1.6
123.11698	1.9
125.09628	1.0
127.07562	0.8
128.06194	0.7
131.08595	0.8
133.10127	2.7
135.11668	1.7
137.09586	0.9
139.03999	0.7
139.07564	0.8
143.08519	1.1
147.11685	1.7
149.09648	0.7
150.98367	0.6
151.11195	1.2
151.38663	0.5
161.13280	1.1
165.07030	0.8
166.45871	0.5
166.99878	0.5
167.07108	0.6
171.11702	0.8
174.99222	0.7
175.07516	0.8
176.98851	0.5
177.12744	0.7
189.12848	0.7
193.15970	0.6
197.11739	1.3
210.06766	0.7
217.12419	0.7
217.19475	0.5
219.87262	0.6
225.09254	0.6
229.42668	0.6
235.13182	1.9
235.16975	1.5
237.75923	0.5
253.08603	2.0
253.14137	100.0
254.14598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03954	2.5
55.01874	8.5
55.05512	4.9
56.96556	1.3
57.03430	2.6
57.07077	2.5
65.03949	1.4
67.05508	31.8
69.03425	3.1
69.07077	8.2
69.47707	5.6
71.04990	3.5
72.53019	0.7
78.58073	0.7
79.05495	12.7
81.03421	4.4
81.07059	27.0
83.04975	5.1
83.08613	2.4
85.06554	4.4
91.05486	24.4
93.07053	9.7
95.04984	5.2
95.08599	5.6
97.02904	1.3
97.06533	2.5
98.98471	100.0
99.04450	1.3
100.98878	1.4
105.07040	21.3
107.04989	1.1
107.08599	17.1
109.06501	3.6
109.10158	32.4
113.06002	1.7
116.99525	1.8
117.07063	1.0
119.08578	2.5
123.11696	6.9
127.03931	1.2
127.07558	1.3
131.08511	0.9
133.06477	0.9
133.10139	33.6
135.11613	0.9
141.05508	0.9
143.08553	1.0
151.09305	0.9
151.11183	19.2
155.08585	0.8
157.10248	0.8
161.09592	1.3
165.07076	0.9
169.12263	2.7
174.99278	1.5
176.98976	1.5
179.10754	0.9
183.11778	0.8
197.11711	1.6
253.14343	71.9
273.89969	0.7
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	a ubiquinol
Peak:m/z	Relative Intensity
53.03946	1.4
55.01652	0.9
55.01875	10.7
55.05511	7.7
57.03443	4.3
57.07067	1.7
65.03941	2.2
66.50186	0.7
67.05509	39.1
69.03425	3.0
69.06775	0.9
69.07078	11.0
69.68835	1.5
69.69241	4.1
71.04999	4.4
73.12919	0.8
79.05502	16.0
81.03429	5.7
81.07062	38.9
81.39097	0.8
83.04992	9.9
83.08614	2.8
85.06551	5.1
91.05486	29.0
93.07048	11.4
95.04973	6.3
95.08611	8.9
97.06536	3.5
97.10146	1.7
98.98474	83.0
99.04454	1.3
99.08089	0.8
105.07036	29.9
107.04977	1.4
107.08608	22.7
109.06537	4.8
109.10166	44.1
111.08077	0.8
113.06013	2.9
116.99459	0.8
117.07024	1.0
119.08572	4.1
123.04412	0.8
123.08100	1.6
123.11714	7.0
127.03915	0.9
127.07562	2.5
131.08502	1.5
133.10138	50.3
135.08003	1.0
135.11668	0.8
137.09575	1.4
140.01056	0.9
143.08556	1.7
151.11192	28.4
161.09607	2.2
169.12221	3.1
174.99263	1.5
176.98930	1.4
179.10748	1.5
197.11705	1.5
197.13364	0.9
215.12840	1.0
223.90805	0.7
253.14354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40714	0.3
56.96565	4.6
57.03455	0.6
62.33683	0.3
65.03945	3.3
67.05499	0.8
69.03423	0.7
70.02945	1.4
70.06590	1.0
71.59315	0.5
71.72746	0.3
71.80051	0.3
74.02427	1.0
79.05504	0.3
81.03407	1.1
81.07057	0.8
84.08144	0.9
84.96020	0.5
85.02898	0.8
86.69965	0.3
88.03987	1.7
92.05800	0.3
93.03410	1.0
93.07044	0.4
95.04934	0.5
97.02928	0.5
98.97585	1.7
98.98473	4.2
107.04955	0.8
109.06509	0.3
111.04447	1.2
116.03429	0.5
116.98653	0.7
120.08104	0.8
121.02872	100.0
124.07564	0.6
124.99120	1.6
129.10291	0.3
130.06523	0.5
131.00157	0.4
132.04472	1.0
134.04547	2.3
134.06039	0.4
139.03886	0.6
143.00148	2.8
146.05949	0.4
152.05673	1.8
158.99664	0.8
159.03305	0.5
161.01257	2.2
162.09087	0.4
162.99120	0.4
163.03877	0.4
177.00775	0.7
181.11015	0.8
185.01213	0.9
203.02333	0.6
208.06107	0.5
208.09727	0.9
210.14877	2.8
210.18483	0.8
218.08194	0.5
231.01811	2.1
236.05629	1.5
236.09152	0.6
248.99132	0.7
249.02869	3.4
254.06549	1.0
254.10028	1.0
254.15134	0.5
254.17416	2.2
259.11465	0.4
267.03946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1612
Annotation	CI 4
Peak:m/z	Relative Intensity
53.03938	0.7
55.05510	2.4
56.05022	0.7
56.96570	7.7
57.03432	1.2
57.07084	0.6
68.05005	0.6
69.03433	1.5
69.40551	1.8
69.40972	2.5
70.06594	15.4
71.04972	0.9
72.08161	0.9
74.09717	0.7
79.05486	1.8
81.03435	0.7
81.04562	0.9
81.07062	7.2
82.05322	1.5
82.06606	1.1
83.06110	8.3
84.08159	1.3
85.02903	1.9
89.03916	0.8
93.04529	6.0
95.04924	0.5
95.06093	10.0
97.02879	1.4
97.07682	1.7
98.06062	16.0
98.21001	2.5
98.97604	1.4
98.98443	3.2
100.07601	0.9
101.00871	0.8
107.06078	0.8
108.52558	0.6
109.02833	0.6
110.07171	40.6
111.05563	1.2
111.07500	0.6
112.05155	0.6
112.07588	1.3
112.08731	1.9
115.54676	0.7
116.98603	0.6
117.03394	0.6
119.01922	1.5
120.08120	3.7
121.02879	1.4
121.07683	1.3
121.08443	5.5
122.09679	2.8
123.05550	1.8
124.99136	1.4
125.07121	15.8
127.03887	1.0
128.98631	0.7
131.01863	0.8
137.05914	0.6
140.98615	1.5
143.00183	5.3
143.01901	0.7
156.07722	1.3
158.99686	2.8
161.01224	1.7
163.03893	2.2
163.12300	17.9
166.13434	1.8
167.11812	20.2
177.00760	2.5
180.05101	1.4
180.12595	1.1
181.13371	0.7
190.13388	7.6
193.13446	1.6
194.12895	9.1
195.11296	100.0
196.11589	1.0
203.03940	0.7
205.00182	0.8
208.14447	26.6
209.12852	1.0
212.13982	0.6
220.10767	0.6
231.01703	1.2
236.14011	1.2
237.13501	3.4
238.98398	0.6
248.99048	2.9
249.02859	2.4
254.01015	1.0
254.09248	3.2
254.16315	66.3
255.16206	0.7
267.00330	1.0
272.01926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.9
69.03434	5.8
69.20718	2.9
71.01397	8.4
73.02912	6.2
81.73714	3.4
84.08179	3.0
85.02893	5.3
97.02903	3.7
98.98483	18.0
99.50514	3.2
101.00916	4.9
106.02946	8.7
109.73455	2.9
110.07146	9.1
119.01891	4.5
123.05563	100.0
138.05492	20.4
138.08600	2.9
155.01859	3.1
157.25737	4.1
158.58723	3.2
169.03461	8.3
187.04445	6.2
255.06419	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	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73757	0.4
55.01874	2.6
55.05474	0.5
55.31943	0.4
56.96568	3.6
57.03217	0.4
57.03434	4.6
61.02911	1.6
65.32455	0.4
69.03437	3.4
69.07072	0.5
69.35577	3.8
70.06593	2.3
70.29684	0.4
71.01345	0.8
71.04999	0.5
72.08147	1.1
73.02917	3.8
73.99635	0.4
75.21626	0.4
78.03455	1.4
79.03731	0.4
80.05013	2.7
81.03416	1.0
81.07053	0.7
83.06124	0.7
84.08133	1.8
84.96046	0.5
85.02903	4.6
86.09700	6.0
87.04462	0.7
93.04502	0.6
95.06051	0.6
96.04475	0.8
97.02879	3.3
97.06509	0.7
98.97577	2.7
98.98459	2.4
99.04474	0.7
100.02504	0.7
101.00886	3.1
106.02911	7.4
107.04994	0.4
110.07159	5.2
110.97543	0.7
111.07501	0.9
113.00883	1.0
115.02450	0.9
115.03928	1.0
116.98642	1.1
117.04035	0.5
118.08667	0.6
119.01920	6.2
123.05552	100.0
124.05917	0.6
127.02424	2.9
127.03912	0.8
129.44676	0.5
130.03572	0.6
131.01923	1.4
132.01663	0.5
133.04967	1.8
137.02957	1.1
141.06563	1.0
143.01903	1.8
145.03459	5.7
152.07021	0.8
155.01889	0.6
156.07646	2.0
156.97513	0.5
157.03526	0.7
159.06720	0.5
161.02925	2.0
163.03998	1.4
168.05090	0.8
169.03448	6.1
171.05132	0.8
173.02859	0.9
174.04410	0.5
176.07590	0.5
177.00980	0.6
178.01410	0.7
183.05034	0.6
184.04562	0.7
185.03012	1.3
186.03123	0.5
186.09779	3.3
187.04530	4.4
192.05205	0.8
197.03035	0.6
203.04016	1.0
204.10869	1.2
209.03035	0.7
209.14731	0.5
213.04344	0.6
213.09775	0.5
214.09259	5.1
215.04089	0.5
217.10693	0.4
219.02153	0.5
230.98157	1.3
231.01877	0.5
231.10791	0.8
232.10303	9.0
238.05948	0.5
243.05518	1.0
243.55382	0.9
245.05180	1.0
248.99236	1.0
251.06253	0.6
255.01741	0.6
255.09114	2.6
255.13274	0.7
255.15344	0.7
256.07098	2.8
273.03220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01870	4.2
55.05513	28.9
56.96547	2.6
57.03439	58.8
57.07067	4.7
65.03930	2.0
67.05505	89.1
69.03439	3.3
69.06719	2.2
69.07072	27.3
70.63657	3.0
70.64033	3.7
71.01347	4.6
71.04993	9.4
78.44612	1.7
79.05495	83.7
81.03422	12.5
81.07058	42.6
83.04978	26.3
83.08636	9.0
85.06540	5.3
91.05479	38.1
93.07047	89.7
95.04977	11.0
95.08598	13.2
97.06526	24.8
97.10167	17.7
98.98482	15.5
99.04462	1.9
99.08097	4.3
105.04521	2.3
105.07027	9.0
107.04960	3.8
107.08597	57.9
109.06544	2.4
109.10194	10.0
111.08065	6.1
113.21140	1.9
117.06975	8.5
119.08572	14.0
121.06514	4.6
121.10145	14.6
125.09612	5.2
130.07802	1.9
133.10147	7.3
135.08087	2.8
135.11699	100.0
137.09598	2.4
145.10136	18.9
153.12767	3.4
158.99704	2.1
160.07568	14.5
161.09633	1.9
163.11159	10.8
167.85057	1.6
181.12236	12.6
211.13593	1.7
255.15880	56.6
256.26331	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03949	5.5
55.01847	4.6
55.05515	28.9
56.96564	2.4
57.03441	55.6
57.07057	5.2
65.03914	2.8
67.05508	83.8
69.03393	2.0
69.07070	26.6
70.99577	1.1
71.01330	5.3
71.04996	9.0
71.59320	1.5
79.05499	85.7
81.03028	1.1
81.03419	11.1
81.07062	41.0
83.04548	1.9
83.04986	28.9
83.08627	7.7
85.02890	1.9
85.06551	7.7
87.90850	1.1
90.86798	1.2
90.99905	1.4
91.05482	30.4
93.07050	85.8
95.04985	8.6
95.08607	15.7
97.05991	1.6
97.06539	21.0
97.10182	13.3
98.98476	13.8
99.04429	2.0
99.08080	3.3
101.07900	1.4
105.04475	1.5
105.07031	9.0
107.04945	3.7
107.08601	57.0
109.06493	2.4
109.10165	10.5
111.08061	2.8
111.11752	1.5
113.06039	1.6
117.05724	1.9
117.07029	8.0
119.08585	10.7
121.06453	2.8
121.10151	13.7
125.09679	5.6
129.07040	1.5
130.07755	1.8
133.10115	4.7
135.08112	3.0
135.11703	100.0
137.09644	2.6
139.07561	1.4
143.08554	3.7
145.10144	19.2
153.12692	3.8
154.94174	1.1
162.04752	2.7
163.11165	15.9
164.42070	1.3
169.10036	1.6
171.11784	1.7
181.10020	1.2
181.12250	14.3
193.56033	1.3
197.13280	1.6
202.56499	2.3
211.57068	2.3
223.07954	5.7
232.08406	2.2
234.58554	1.7
237.16219	1.3
255.10115	2.0
255.15860	57.1
255.20302	2.0
255.25128	5.3
256.26428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01854	2.7
55.05514	33.9
56.96568	1.9
57.03440	54.0
57.07063	6.7
57.69235	1.7
65.03928	3.1
67.05509	87.8
69.03416	2.0
69.07072	27.1
70.02654	5.0
70.03065	3.0
71.01346	4.5
71.04988	9.3
79.05497	86.5
81.03429	9.5
81.07059	42.3
83.04983	30.0
83.08611	7.3
85.02925	1.7
85.06532	6.4
91.04954	2.7
91.05487	35.3
93.07050	93.9
95.04987	9.5
95.08598	9.9
97.06532	27.9
97.10181	15.2
98.98476	14.0
99.08113	4.2
99.16004	1.9
105.04517	2.4
105.07030	10.0
107.04906	2.7
107.08603	55.9
109.06530	2.5
109.10173	13.4
111.08073	4.5
117.07053	10.9
119.08576	11.7
121.06509	2.7
121.10159	11.6
125.09641	5.3
129.63010	1.8
133.10117	4.5
135.08115	2.0
135.11702	100.0
137.09612	4.5
143.08574	1.6
145.10152	17.6
153.12720	4.1
157.10147	1.9
163.11217	13.5
181.12267	14.1
223.69981	1.6
234.50090	1.7
255.15907	56.2
256.26410	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01863	5.6
55.05263	1.9
55.05516	32.3
56.96577	2.7
57.03440	48.1
57.07076	4.9
61.61497	1.5
62.95244	1.7
64.56445	1.4
65.03925	1.3
67.05509	87.1
69.03424	1.7
69.07071	30.8
69.32240	13.4
71.01378	7.4
71.04996	9.8
71.08617	1.6
76.99458	1.2
79.05498	79.7
81.03428	13.8
81.07063	42.6
83.04990	24.8
83.08617	7.3
85.02892	2.2
85.06563	7.8
89.07684	1.3
91.05489	31.7
91.20636	1.4
93.07051	86.2
95.04971	9.3
95.08620	16.4
97.06535	23.9
97.10189	16.6
98.98470	25.4
99.04438	3.1
99.08123	3.8
100.90582	1.5
103.05457	2.1
105.07044	9.0
107.04980	4.6
107.08604	60.1
109.06547	2.8
109.10154	11.4
111.08096	3.4
117.07018	11.1
119.08591	12.6
121.06524	3.7
121.10142	15.0
123.11673	1.6
125.09612	4.7
129.07014	2.8
130.07751	1.9
131.08617	2.0
133.10149	8.1
135.08043	2.9
135.11705	100.0
137.09613	2.7
141.07011	2.5
143.08588	5.5
145.10143	20.9
153.06938	1.6
153.12755	4.1
157.10138	3.7
163.11197	14.8
167.08548	2.9
169.10129	2.5
171.11649	3.4
181.10161	3.7
181.12225	14.8
183.11720	3.2
185.09677	2.3
185.13174	2.2
195.11670	1.7
197.13387	1.9
199.11079	1.9
219.01620	1.7
237.16362	4.0
238.60219	1.5
255.10170	1.9
255.15604	48.5
255.18097	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	255.1746
Annotation	4-(1-Ethyl-2-phenylbutyl)phenol
Peak:m/z	Relative Intensity
53.03935	1.5
55.01856	1.6
55.05502	5.8
56.96566	3.7
57.03443	1.8
57.07075	2.1
67.05516	8.6
69.03432	2.6
69.07079	6.9
71.04998	3.6
71.59950	1.6
79.05503	7.7
81.07057	11.3
81.20335	1.0
83.04994	2.7
83.08610	2.7
85.06542	2.8
91.05490	8.2
93.07058	18.9
95.04959	2.4
95.08612	6.9
97.06540	7.0
97.10160	1.3
98.97562	1.6
98.97801	1.9
98.98481	27.5
99.08084	1.5
103.05506	1.4
105.07040	16.4
107.08604	9.3
109.06532	8.0
109.10165	3.7
113.09713	1.2
115.05457	2.7
117.07022	4.7
119.08608	17.5
121.10175	7.0
123.08066	3.1
125.09673	1.3
127.04048	1.5
128.06264	4.1
129.07016	4.6
131.08589	4.6
133.06505	9.6
133.10149	8.0
135.08064	9.4
135.11710	3.3
137.09641	1.5
141.07014	6.8
142.07803	4.7
143.08574	15.1
144.09377	2.5
145.10150	4.6
147.08119	1.8
147.11739	2.3
149.09633	2.3
149.13307	1.9
153.07021	1.6
154.07780	2.7
155.08585	11.2
156.09370	9.9
157.10144	17.4
159.11696	5.7
161.09654	2.9
165.07039	3.3
166.07881	2.2
167.07179	1.9
167.08577	11.2
168.09361	2.0
169.10139	20.3
170.10925	4.1
171.08101	1.2
171.11699	15.5
173.09457	1.3
173.13199	2.6
175.11134	1.3
180.09357	1.8
181.10207	6.9
181.11623	1.0
182.10954	14.5
183.11740	7.5
184.08830	1.4
185.09615	1.7
185.13327	6.6
193.10191	2.4
194.10927	2.4
195.08041	1.7
195.11687	10.1
196.12491	5.7
197.13284	57.9
198.13963	3.2
199.11224	11.5
207.11740	4.8
208.12561	2.8
209.13297	3.2
211.11565	1.6
211.14842	29.9
212.15628	10.3
213.12752	4.1
213.16405	26.9
219.13805	1.3
222.14035	6.9
225.12820	3.1
227.14380	2.7
237.16463	15.2
240.15132	2.8
246.63522	1.8
255.06531	3.2
255.10078	5.3
255.17482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05515	1.3
56.96569	6.3
57.03427	1.9
58.99859	2.5
61.02922	2.4
67.05499	1.8
68.98295	3.8
69.03433	4.6
69.07075	1.2
70.06590	3.3
70.42262	1.5
70.42615	2.7
70.98122	2.4
72.08157	1.8
73.02922	2.2
74.09712	1.5
77.00918	0.8
78.03462	1.3
79.05492	1.0
80.05018	0.7
81.03407	1.0
82.01453	3.2
82.99865	1.5
84.08124	1.8
85.02914	6.4
86.09689	2.0
86.99334	3.4
89.03952	0.9
91.05501	1.1
93.04511	3.9
95.06106	1.2
97.01388	2.5
97.02879	5.1
98.97594	9.8
99.02932	2.3
100.02502	5.5
101.00893	12.7
103.02381	1.0
105.00366	2.5
105.04513	10.7
106.87589	0.9
107.04904	1.0
109.01402	2.8
109.02815	1.0
110.07178	5.5
113.00874	2.1
115.02477	6.1
116.98634	3.1
117.01813	0.9
117.04017	6.7
118.03549	1.8
119.01934	16.1
121.01658	0.9
121.03999	11.3
123.05553	9.5
124.02485	0.9
124.03890	1.2
124.05920	8.1
127.01660	1.2
127.02425	29.3
127.03925	2.9
128.02504	1.3
128.98595	1.7
129.03983	2.3
131.01915	6.4
133.03476	2.3
134.99649	1.6
135.05026	3.0
136.03922	2.9
137.02922	3.1
140.05559	3.1
140.06778	1.2
141.03946	1.3
142.03526	2.6
143.01880	9.9
145.03471	100.0
145.50833	0.8
146.03574	1.6
146.99677	1.3
147.01492	1.9
149.03026	1.0
150.04019	2.3
151.02406	1.2
153.05644	0.9
154.96515	0.9
155.01927	2.2
155.06032	7.8
157.03484	2.6
158.06615	3.7
159.01500	1.1
159.05067	1.4
161.01056	0.9
161.02986	11.2
161.06580	1.0
162.01878	1.7
163.04666	6.2
166.03499	1.0
166.08519	0.9
168.05118	8.5
169.03479	96.6
170.03615	1.4
171.01385	2.4
171.05035	2.2
172.04607	1.9
172.97633	1.5
173.02989	3.4
176.07700	2.4
177.02496	1.5
179.04088	1.0
182.07173	2.3
183.05548	10.9
184.04575	7.6
185.02931	1.8
186.06166	1.0
187.04532	72.6
188.04619	1.4
189.02472	3.2
190.05576	1.2
190.98645	3.8
192.05072	14.3
195.05339	1.0
197.03001	7.0
200.04343	1.3
202.05574	1.3
203.04047	1.6
210.02599	2.6
210.06270	10.7
211.05022	4.8
212.04033	3.0
214.05705	2.0
215.00359	1.3
215.04076	5.5
216.95761	0.9
218.98183	2.5
221.05159	0.9
227.04134	1.4
228.03572	1.1
228.07393	1.9
230.05125	2.4
232.06758	1.4
232.99512	1.1
233.01479	3.8
233.04991	6.1
238.06049	17.9
239.07515	1.1
251.02655	4.8
251.06093	13.7
256.03326	5.8
256.07172	96.8
256.09717	3.8
256.26315	2.0
269.07193	6.3
274.04208	2.5
274.07745	10.5
274.97452	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	256.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92794	1.0
55.05511	1.0
56.96558	3.7
57.37509	0.9
67.05487	1.4
68.98293	2.1
70.06571	2.1
71.59075	1.4
72.08141	2.1
73.02898	1.2
79.05518	1.3
81.03394	1.4
81.07091	1.1
85.02893	1.1
86.06065	2.8
86.09646	0.9
86.99330	2.7
88.93004	1.0
91.05489	1.1
94.02935	7.2
95.80642	1.0
96.08054	0.9
97.02916	1.4
98.97562	3.0
98.98498	2.0
101.00874	2.7
105.00381	1.9
109.01392	2.9
112.03955	1.2
116.98605	2.1
119.01916	6.9
126.05378	1.2
127.02428	24.6
129.04005	1.4
131.01862	2.4
135.04414	1.1
141.61993	1.0
142.03502	1.9
143.01863	2.4
145.03468	100.0
146.03549	1.1
157.03438	1.6
159.05025	1.1
161.02969	2.2
163.04469	4.7
168.05060	7.8
169.03468	88.4
170.03580	2.2
171.05000	1.6
187.04524	72.7
192.05077	11.5
197.02951	3.4
210.06050	7.4
210.09236	1.3
215.03944	5.7
228.07066	1.0
233.05092	1.8
238.05902	1.4
238.14372	1.3
239.21716	1.2
249.00377	1.1
251.06134	11.7
256.06995	8.3
256.15430	1.4
256.26294	6.3
269.07257	6.5
274.07700	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	257.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35262	0.2
52.97797	0.2
70.80445	0.5
71.48946	0.2
74.09721	13.7
96.07893	1.9
107.07180	0.2
114.08921	1.9
140.06828	100.0
141.07205	0.6
231.16797	0.3
252.42047	0.2
257.14728	6.3
266.51532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02347	1.2
52.66021	1.0
53.03944	1.2
55.05523	8.1
56.96551	1.0
57.03436	10.3
57.07074	1.4
58.22305	1.0
59.05013	1.2
67.05515	21.7
69.07071	6.3
69.65807	5.0
71.04966	0.9
76.41986	0.9
79.05494	9.5
81.07053	12.9
83.05000	1.5
83.08626	3.7
85.06551	1.4
91.05489	22.4
93.07052	9.4
95.04990	1.7
95.08613	11.9
97.06534	1.9
97.10146	1.2
98.97583	4.0
99.08076	1.8
103.51531	0.9
105.07047	16.9
107.04972	1.0
107.08607	5.8
109.06529	2.4
109.10146	5.3
111.08096	0.9
115.05465	3.5
116.06239	2.5
116.98642	2.5
117.07032	32.2
119.08589	12.2
121.10154	3.9
123.08102	1.5
128.06250	6.2
129.07008	25.2
130.07780	4.9
131.08578	47.1
133.10146	7.7
135.08073	2.3
135.11679	1.3
141.07030	6.2
142.07794	4.5
143.08580	25.2
144.09393	2.7
145.06483	2.1
145.10135	83.1
147.08092	2.0
147.11696	6.8
149.09616	2.5
153.06995	1.3
154.07785	1.4
155.08594	8.0
157.08926	1.7
157.10152	20.6
159.08066	2.6
159.11703	33.6
161.09631	4.3
161.13275	2.2
163.11179	2.1
168.09351	1.7
169.10141	11.5
170.10837	1.1
171.11725	16.1
173.09610	1.7
173.13284	12.6
175.11232	3.6
182.10857	1.5
183.11687	13.6
184.12325	1.0
185.13280	50.2
187.11217	4.0
187.14833	1.3
196.78838	1.0
197.13269	11.1
199.14862	5.0
201.16409	4.2
210.13980	1.1
211.14824	4.8
213.16315	3.0
215.14320	1.9
229.15996	1.0
229.19533	5.8
239.17955	26.7
239.20360	1.3
257.19031	100.0
257.26517	7.2
258.19449	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
51.92610	0.9
53.03944	1.8
55.01873	2.3
55.05521	10.5
56.96556	1.1
57.03446	1.8
57.07065	1.7
65.03928	1.2
67.05174	1.4
67.05515	25.2
69.07080	7.6
71.04974	2.9
71.40777	2.1
73.65789	0.8
76.48644	0.8
79.05499	14.4
81.03379	1.3
81.06632	1.7
81.07065	18.6
83.04967	2.2
83.08625	4.5
85.02828	0.9
85.06552	1.8
91.04951	1.6
91.05487	22.9
93.07050	12.6
95.04965	2.5
95.08617	16.4
97.06534	3.6
97.10172	2.6
98.97605	1.0
99.08119	1.3
103.05450	1.9
105.07037	20.7
107.04978	1.8
107.08604	8.5
109.06519	1.7
109.10155	7.9
112.65996	1.0
115.05427	4.6
116.06217	2.7
116.98560	1.0
117.07028	32.8
117.98953	0.9
119.08601	14.7
121.06455	2.0
121.10150	6.4
123.08070	1.6
125.09621	1.5
128.06215	5.4
129.07024	18.4
130.07811	5.8
131.08577	60.4
133.06479	3.7
133.10155	10.0
135.08038	2.5
135.11699	2.5
137.09637	2.1
140.06862	1.1
141.06972	9.7
142.07787	4.8
143.07474	1.5
143.08580	20.9
144.09325	1.8
145.06491	4.7
145.10130	81.5
146.10536	1.2
147.08076	3.2
147.11726	5.3
149.09621	2.6
149.13304	1.3
153.07059	1.3
154.07835	2.4
155.08565	10.6
156.09320	2.2
156.45853	1.1
157.10147	23.0
159.08083	4.1
159.11711	30.7
160.12103	0.8
161.09637	5.8
161.13297	3.0
163.11156	1.9
165.12785	1.3
167.08574	2.1
168.09346	1.8
169.10158	15.7
171.11711	23.4
173.09647	3.8
173.13275	14.0
175.11186	5.8
175.14885	1.3
182.10928	2.0
183.11694	17.2
185.13295	5.7
187.11194	7.1
187.14799	2.0
189.12762	2.6
189.16624	1.0
195.11674	1.7
197.13275	15.6
199.14897	4.8
201.12749	5.2
211.14894	5.2
213.16379	3.7
215.14316	4.2
215.17932	1.9
229.06123	1.6
229.15889	1.0
229.19466	5.5
239.17966	32.0
257.08069	1.8
257.19028	100.0
258.19312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03931	1.7
55.05518	5.6
56.96553	1.6
57.07064	2.2
67.05511	6.9
69.03408	1.2
69.07071	6.6
70.06564	0.8
70.39876	0.7
70.71334	1.3
70.71642	1.2
71.04991	5.0
79.05494	7.4
81.07055	8.0
83.04964	2.5
83.08601	2.8
85.06537	3.1
87.77737	0.7
91.05484	9.6
93.07041	15.3
94.84483	0.8
95.04999	4.7
95.08612	12.2
97.06530	2.4
98.97590	5.5
103.05518	1.0
105.07036	21.8
107.08591	15.2
109.06522	5.7
109.10158	9.7
110.97661	0.8
111.08063	1.6
113.09623	1.1
115.05458	1.4
116.98623	2.7
117.07013	5.9
119.08585	21.5
121.06488	1.1
121.10146	71.7
123.08042	3.4
123.11709	2.0
124.61728	0.8
128.06221	3.1
129.07008	5.7
130.07819	1.4
131.08571	14.5
133.07613	1.3
133.10150	11.8
135.08058	14.3
135.11673	3.2
137.09637	4.6
141.06973	2.0
142.07793	6.1
143.08565	18.3
144.09348	1.4
145.10130	20.5
145.11255	1.1
147.08035	1.8
147.11652	4.5
149.09624	4.9
151.11157	1.2
153.07068	1.0
155.08502	5.4
156.09387	5.7
157.10138	24.0
158.10896	4.3
159.08057	1.8
159.11691	21.3
161.09644	2.4
161.13249	2.0
163.11192	4.3
167.08707	1.0
168.09334	1.9
169.10146	10.1
170.10918	2.2
171.11691	12.9
173.09656	1.9
173.13269	26.0
174.14076	2.1
175.11229	1.9
175.14850	2.0
177.12787	2.0
181.10164	1.5
182.10982	1.7
183.11694	13.6
184.12497	2.7
185.13281	3.1
187.11212	7.7
187.14804	5.1
189.12691	2.4
195.11772	1.4
197.13235	10.8
199.14824	33.4
201.12727	8.5
209.13220	1.6
210.13980	1.3
211.14848	1.8
213.16394	11.4
214.17166	2.1
215.14333	2.7
215.17918	7.7
224.15591	1.7
229.15892	1.5
239.17969	12.4
253.87959	0.9
257.19025	100.0
257.26660	12.5
258.19391	1.3
258.28049	3.0
274.97443	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	2.7
55.05515	10.9
56.96553	3.3
57.03436	3.0
57.07050	3.4
58.83325	1.4
67.05156	2.4
67.05506	36.5
69.07055	6.9
70.14546	6.4
71.04989	5.4
73.79420	1.4
79.05499	9.0
81.07057	22.3
83.08624	3.1
85.06551	3.5
91.04945	2.4
91.05479	26.8
93.07067	8.2
95.08636	8.4
97.06536	2.0
97.10188	2.2
98.97596	12.2
99.08082	2.7
105.07046	15.6
107.08598	4.0
109.10146	5.7
111.08089	1.7
115.05467	5.7
116.06212	2.8
116.98602	6.5
117.07021	56.4
119.08598	8.5
121.10140	6.5
121.12926	1.5
128.06229	10.8
129.07004	47.1
130.07785	4.7
131.08577	100.0
131.95184	1.4
133.06497	2.4
133.10147	12.0
137.09578	2.0
141.07004	22.7
142.07784	8.3
143.08577	36.1
145.06488	3.2
145.10129	98.2
147.08046	2.9
147.11723	4.2
153.06906	2.3
154.07771	5.0
155.08560	25.3
156.09309	3.4
157.10141	32.2
159.08073	5.3
159.11700	53.8
161.09557	1.8
161.13258	1.9
163.84758	2.0
166.05101	1.6
168.09341	4.4
169.10138	22.9
171.11702	55.5
173.09639	3.6
173.13268	27.9
175.11180	4.8
181.10132	3.6
183.11696	44.2
185.13235	9.9
196.12396	2.3
197.13281	31.5
198.13837	1.6
199.11310	2.1
199.14841	4.1
201.12750	3.3
201.16432	1.8
211.14828	6.0
213.16505	2.4
229.19579	2.6
239.17976	51.6
240.09682	2.4
257.15472	3.8
257.19016	67.0
257.26678	3.9
274.97549	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.83305	0.6
53.03935	0.8
55.01868	0.7
55.05519	12.6
56.96562	1.5
57.03421	1.0
57.07062	1.0
65.03922	1.1
67.05513	23.4
69.07069	5.3
70.57719	0.6
70.91317	1.5
71.05000	1.4
79.05049	0.9
79.05495	12.4
81.07065	15.8
83.08627	3.0
91.05486	19.9
93.07056	9.8
95.04980	1.3
95.08047	0.8
95.08619	14.8
95.94077	0.7
97.06496	1.2
97.10175	1.7
98.97598	3.6
103.05470	0.8
105.07039	21.9
107.08602	6.3
109.06516	0.8
109.10168	6.6
113.09615	1.0
115.05462	3.2
116.06213	1.7
116.98612	2.0
117.06192	1.3
117.07030	23.9
118.93498	0.6
119.08583	14.7
121.10155	5.8
123.08049	1.4
123.11732	1.0
125.09607	0.7
128.06209	3.7
129.03108	1.1
129.07014	10.5
130.07785	5.0
131.04929	0.7
131.08580	35.9
133.06479	2.0
133.10138	12.2
134.99597	1.3
135.08110	1.5
135.11688	2.5
136.93140	0.9
137.09659	1.1
140.05263	0.7
141.06999	4.3
142.07777	2.5
143.08580	17.2
144.09328	1.7
145.06523	6.6
145.10136	78.2
146.10484	0.6
147.08040	2.5
147.11691	10.3
149.09618	2.2
154.07770	1.5
154.94138	0.9
155.08568	6.6
156.09357	1.5
157.08919	0.9
157.10147	12.3
158.07231	1.0
159.08090	2.9
159.11708	22.1
161.09634	3.0
161.13208	3.1
163.11209	1.5
167.08658	1.0
168.09325	1.3
169.10152	10.2
171.11688	16.2
172.12419	0.7
173.09601	2.9
173.13293	8.6
175.11188	2.2
177.12694	0.7
182.10919	1.1
183.11723	10.9
185.13245	4.1
187.11206	12.7
187.14830	4.6
189.12691	1.1
197.13297	9.2
197.15038	1.1
199.14856	1.6
201.12820	1.0
201.16466	1.3
211.14787	2.8
213.16382	1.4
215.14389	3.5
215.17899	1.8
218.20970	0.6
229.19542	40.0
239.04500	0.8
239.17981	14.9
257.19025	100.0
257.30194	2.9
258.19333	2.2
274.97455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03955	1.6
55.01856	1.2
55.05523	11.2
56.96553	1.3
57.03429	2.2
57.07060	1.5
63.57578	1.1
65.03917	1.6
67.05165	1.7
67.05509	30.4
69.03439	1.4
69.07069	7.3
70.10771	4.1
70.11147	2.5
71.04986	3.2
72.91255	1.2
75.12912	1.1
79.05502	13.8
81.07061	15.7
83.08625	2.4
85.02752	1.1
85.06558	3.1
91.05492	21.5
93.07053	12.6
95.04962	3.2
95.08604	10.9
97.10155	1.6
98.97580	4.9
103.05473	1.6
105.07041	22.6
107.08600	9.5
109.06515	4.0
109.10162	10.4
111.08060	2.7
115.05452	4.4
116.06232	2.0
116.98633	3.2
117.07030	33.9
119.07874	1.7
119.08597	16.3
121.06528	1.9
121.09294	2.6
121.10152	52.1
123.08089	2.9
125.09660	1.3
128.06244	9.9
129.07008	30.3
130.07808	4.5
131.08577	59.4
133.06502	2.2
133.07545	1.6
133.10156	10.5
135.08086	9.9
135.11678	1.8
137.09621	2.5
141.06982	11.6
142.07805	7.7
143.08569	31.1
145.06439	2.6
145.10133	81.4
146.07271	1.3
147.08061	3.7
147.11647	4.1
149.09604	3.2
150.92490	1.3
153.06996	2.8
154.07773	3.5
155.08554	12.5
156.09332	1.5
157.10139	30.2
159.08061	3.5
159.11700	36.5
161.09660	2.5
161.13271	2.7
163.11209	2.2
167.08569	2.4
168.09357	2.8
169.10130	16.8
171.10239	2.0
171.11697	35.8
173.09674	2.3
173.13281	23.6
175.11186	4.5
177.12793	1.4
181.10187	2.7
182.11014	1.3
183.11707	28.5
184.12453	3.0
185.13240	6.7
187.11211	5.6
187.14865	2.2
189.12822	1.5
195.11777	2.0
196.12462	2.3
197.13254	22.1
199.14841	18.9
201.12714	5.1
210.13971	1.7
211.14807	5.3
213.16389	8.2
215.14282	2.0
215.17929	3.4
229.19482	2.3
239.17941	36.1
249.63139	1.5
257.19022	100.0
257.26859	3.3
258.27994	2.7
274.97491	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01852	1.6
56.96567	10.6
57.03431	3.4
58.99865	6.1
61.02928	2.4
67.05510	1.6
69.03425	6.1
70.06586	9.5
70.43531	5.3
70.99862	13.5
71.95257	1.6
72.08160	3.7
73.02921	3.3
74.00666	2.9
74.02454	3.1
77.00905	4.2
82.99853	5.2
84.04498	7.4
84.08154	14.4
85.02895	6.7
85.08519	1.7
86.09712	4.1
89.00890	4.0
91.02449	5.3
95.04993	1.9
97.02879	6.6
98.97592	66.4
100.02212	56.2
101.00891	60.2
103.00622	2.1
103.02408	2.5
109.02860	2.1
111.05523	1.9
113.00861	4.7
114.05523	2.4
115.02443	9.6
116.07106	4.8
116.98632	28.4
118.03275	3.0
119.01929	100.0
121.01684	3.2
121.03999	1.9
127.02401	2.1
128.98582	2.3
129.10239	3.5
130.05067	1.7
130.08630	3.9
131.01915	16.1
133.01736	3.6
133.02525	3.4
133.03474	48.7
133.04469	2.5
134.99672	7.5
137.03015	14.0
138.99974	2.3
139.02548	2.3
143.01912	6.3
145.03447	6.0
146.01595	3.7
146.02718	55.3
146.03871	2.7
147.01421	3.0
149.02953	14.8
151.04543	8.6
152.05637	4.7
155.01920	3.3
156.99826	11.3
157.03462	4.1
158.99611	2.1
161.02963	14.6
163.03917	3.1
169.03416	2.3
171.01389	19.2
173.02979	10.3
175.00906	62.0
176.04166	2.3
176.07782	2.4
177.00923	2.5
177.02492	2.6
177.07813	5.6
181.04958	4.3
185.02878	4.0
187.04576	3.0
189.02477	49.5
189.04080	1.8
190.04530	1.8
191.03987	4.8
193.01967	15.6
194.05254	5.5
197.04764	1.9
199.00848	8.3
199.02489	10.3
199.04515	2.3
203.04097	3.8
205.03944	1.9
207.03560	2.6
213.07016	11.1
217.01953	87.8
218.05223	3.2
218.08762	2.1
221.05048	2.8
231.03314	3.8
231.08928	1.8
235.03008	44.2
236.06749	2.0
241.03253	5.6
245.01563	3.1
258.07880	1.8
258.99942	27.7
259.04385	46.3
259.07227	9.9
259.08350	7.8
259.12790	4.0
277.00873	27.9
277.03735	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	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66277	1.9
62.51599	2.0
67.05499	1.7
69.03412	2.9
71.11576	3.0
72.68046	2.0
79.95463	2.4
84.08130	3.6
85.02934	1.9
90.81077	1.6
92.00713	1.7
97.02917	2.4
97.23976	1.6
98.09684	5.4
138.05498	3.3
157.06480	1.8
161.05936	1.8
185.05904	2.1
189.05449	2.0
213.05383	3.1
215.13960	3.8
231.06505	2.5
259.04239	100.0
259.16751	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	259.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00403	0.5
55.05523	0.5
56.96572	2.6
57.03456	0.5
57.46199	0.5
58.99580	0.5
59.39459	0.5
67.04259	2.6
67.05533	0.9
69.03450	1.4
70.06606	1.8
70.26680	1.6
70.27042	0.9
70.98119	0.6
72.08163	0.8
73.01161	0.8
73.02954	1.2
74.00671	6.3
74.02453	0.8
81.03424	0.8
83.04984	0.6
84.04518	1.6
84.08163	3.4
85.02927	1.7
86.09704	0.8
97.02890	2.6
97.04906	0.5
98.97591	3.2
100.02212	95.7
101.00899	1.2
110.07247	0.5
113.05994	1.1
114.05519	0.7
116.98630	1.5
118.03259	4.8
119.01936	1.7
127.03895	0.8
129.10217	0.7
130.06595	1.1
130.08644	1.1
133.87180	0.5
135.04370	0.6
137.06007	0.6
143.00208	1.0
145.03423	0.6
146.02716	100.0
147.03180	0.5
147.04387	0.8
157.03421	0.5
158.99680	1.0
161.01289	0.6
161.02930	0.8
163.03935	0.9
173.02823	0.7
177.00583	0.5
181.04889	0.6
187.07462	0.9
189.02312	0.7
196.07487	0.8
201.70116	0.5
213.06960	23.3
215.13780	0.6
217.00151	1.0
217.02026	0.9
224.06870	0.5
231.02888	1.0
235.01140	0.9
242.08070	2.1
244.03601	0.6
259.07465	21.2
259.12854	1.0
259.16434	0.8
269.46249	0.5
277.00745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04133	0.7
56.05036	4.2
56.96565	2.9
57.03419	0.7
67.05505	3.2
67.22052	0.6
68.05045	1.0
69.03446	1.5
69.07073	0.7
69.93211	1.8
69.93613	1.7
71.38477	0.6
72.08163	1.3
73.02875	0.9
74.02441	98.0
79.05486	1.0
83.06106	2.5
84.04504	100.0
84.08128	5.4
85.02900	3.2
85.06543	1.1
86.09701	3.8
95.01331	0.7
95.04965	3.2
97.02887	1.6
97.04008	2.1
98.09694	2.3
98.97594	2.9
100.02214	2.3
100.07613	1.3
102.05561	2.3
103.25440	0.7
110.97585	0.7
111.04488	0.9
113.05981	4.0
116.92260	0.7
116.98568	0.8
122.09639	1.9
127.99424	0.7
129.06924	0.7
130.05005	41.3
130.08644	47.3
132.10213	1.1
135.04419	1.1
137.02353	0.7
137.05878	0.9
138.05525	3.8
146.02711	2.2
150.09143	20.7
151.69084	0.7
158.99654	0.8
161.05994	1.4
163.03894	1.4
168.10164	1.0
169.08563	3.3
170.02701	4.8
181.04944	0.8
185.05940	0.9
196.09705	20.8
197.12921	1.7
204.08006	0.9
213.05383	9.4
213.12241	1.0
215.13948	1.2
231.06514	1.9
241.11891	1.5
242.10213	8.9
242.14984	1.9
259.03964	1.5
259.06165	1.8
259.08575	2.3
259.12906	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Bactacine
Peak:m/z	Relative Intensity
55.05496	4.1
57.07065	3.7
65.81413	1.1
67.05505	6.9
69.07078	6.5
70.12172	4.9
71.04979	1.1
79.05489	5.2
81.07060	30.2
85.06549	1.3
89.30383	1.4
90.44762	1.1
91.05492	5.3
93.07053	8.8
95.04984	2.7
95.08608	18.0
97.06536	3.3
98.21431	1.6
105.03413	6.9
105.04548	1.3
105.07027	10.8
107.08580	7.0
109.06494	3.0
109.10164	7.4
111.08106	1.9
117.07014	6.7
119.08598	12.7
121.10107	5.8
123.08037	2.2
123.11715	56.8
129.01819	3.7
129.06987	2.3
131.08545	5.3
133.10135	6.6
135.08049	9.0
135.11719	2.2
137.09630	10.5
143.08563	5.1
145.10130	14.2
147.11705	9.2
149.09566	2.7
151.11168	1.3
157.10144	5.6
159.11716	11.7
161.13219	2.6
163.11171	1.9
171.11703	6.6
173.02440	1.5
173.13257	5.0
175.11133	1.8
175.14795	3.7
177.90236	1.5
182.12041	1.3
185.13243	5.1
189.12688	2.9
189.16397	1.3
199.14836	3.0
201.16409	6.4
203.14372	2.7
215.18115	1.7
217.19586	1.2
220.05615	1.3
241.19495	8.0
259.11310	1.9
259.20581	100.0
260.20920	1.8
280.77097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02358	0.5
53.03944	1.6
55.01862	1.1
55.05251	0.7
55.05510	9.9
56.96559	1.4
57.03424	1.6
57.07080	4.3
58.06588	0.4
58.07411	0.7
62.06079	0.9
63.44821	0.5
65.03934	0.9
67.05507	21.4
69.07072	8.6
69.57241	3.6
71.04984	2.1
71.08621	1.9
75.18429	0.5
79.05047	0.9
79.05497	19.0
81.07063	18.0
83.04984	1.1
83.08621	4.0
85.06544	1.5
85.10176	0.6
91.05481	40.5
92.73232	0.5
93.07052	18.5
95.04962	2.1
95.08611	15.1
97.06541	4.1
97.10172	1.3
99.08082	2.0
102.46659	0.5
103.05457	1.4
105.07034	57.3
107.04967	1.1
107.07874	0.5
107.08596	10.0
109.06496	1.3
109.10166	5.2
111.08109	1.2
113.09587	0.7
115.05430	1.3
116.06201	0.7
117.07020	14.9
119.08585	40.0
121.06500	1.1
121.10152	6.4
123.08083	1.0
123.11697	1.2
125.09641	0.8
128.06215	1.9
129.01797	0.5
129.07022	8.7
129.07939	0.5
130.07809	1.0
131.08574	18.5
133.06519	0.6
133.10132	34.3
135.08032	1.5
135.11699	3.9
137.09633	0.9
137.13211	0.5
138.12830	0.5
141.06972	0.9
142.07803	1.1
143.08574	9.5
145.10126	18.0
147.07976	0.8
147.11694	30.9
149.09648	1.3
149.13277	3.9
151.11221	0.7
155.08568	0.6
156.09344	1.1
157.10139	7.6
159.10402	1.0
159.11697	14.5
161.09607	1.6
161.13268	20.0
163.03831	0.7
163.11179	1.4
163.14867	0.8
169.63008	0.4
171.03221	0.5
171.11711	9.7
172.94186	0.5
173.02357	0.5
173.11914	0.7
173.13283	10.2
175.11153	1.8
175.14819	9.6
177.12749	1.7
183.11635	0.6
185.13275	9.3
187.11075	0.5
187.14761	1.8
189.12753	1.3
189.16356	0.6
193.30830	0.5
199.14850	5.8
201.16364	1.4
203.14333	0.9
213.16409	2.1
215.07141	0.7
215.17937	1.0
231.17436	1.0
231.21037	2.9
241.19508	21.4
241.27238	0.8
259.20581	100.0
259.28235	20.0
260.20914	1.1
277.11179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.84985	2.3
53.84166	2.2
55.05513	11.0
57.07071	5.9
67.05496	8.2
69.07073	41.0
71.05009	22.6
79.05490	6.6
81.07053	17.3
83.04974	4.6
83.08619	7.5
85.06547	22.7
91.05461	11.1
93.07050	16.9
95.04968	5.6
95.08608	18.9
97.06503	3.5
97.10111	3.0
103.56525	2.6
105.07033	27.6
107.08596	25.4
109.06505	9.5
109.10150	13.9
111.08087	12.9
117.07023	8.2
119.08584	57.8
121.10140	15.3
123.11703	24.8
127.21131	2.2
129.07021	2.9
130.07788	3.8
131.08577	15.6
133.10136	40.0
135.08072	12.7
135.11700	8.8
137.09598	6.2
142.07787	2.6
143.08569	9.8
144.09245	2.9
145.10120	35.2
147.11696	23.7
149.09543	2.9
149.13297	3.5
151.11156	2.2
156.09363	3.6
157.10117	17.3
159.11705	32.3
160.12491	4.0
161.09641	3.0
161.13268	35.3
163.11137	2.7
170.10912	3.4
171.11711	19.5
173.13290	11.9
175.11302	3.5
175.14835	82.5
176.15535	6.2
177.12787	2.7
177.16415	3.7
185.13309	14.4
189.12697	5.4
189.16397	8.3
190.13489	3.5
197.77432	2.3
199.14819	6.2
201.16420	30.4
203.14336	9.1
215.17947	4.6
217.19560	4.9
241.19551	16.2
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.5
51.61769	0.4
53.03933	1.7
54.18544	0.5
55.01866	1.2
55.05516	9.4
56.27108	0.5
56.96574	0.9
57.03425	1.2
57.07061	2.0
64.04117	0.4
65.03928	1.0
67.05507	21.0
69.07067	6.9
69.62010	3.2
71.04987	1.2
71.08620	1.0
77.03925	0.6
79.05494	17.9
79.05950	1.1
81.07061	19.4
83.04966	1.7
83.08620	3.1
85.06522	1.6
89.03947	0.6
91.05484	41.1
93.07048	20.0
95.04968	1.9
95.08607	13.7
97.06522	2.7
97.10145	0.9
99.08100	1.2
103.05453	1.9
104.06269	0.6
105.03380	0.5
105.07036	59.2
107.04948	1.1
107.08600	9.6
109.06496	1.4
109.10154	5.6
111.08073	0.9
115.05437	0.7
116.06259	0.5
117.07026	17.0
119.08588	42.0
121.06519	0.8
121.10152	7.0
123.11708	1.0
128.06229	2.3
129.06993	7.9
130.07802	1.3
131.08578	17.8
133.10136	33.2
135.08015	1.4
135.11719	4.7
137.09650	0.7
139.11125	0.5
141.06836	0.6
142.07800	1.4
143.08556	8.9
144.09372	0.5
145.09013	1.0
145.10127	16.7
146.10867	0.7
147.08076	0.8
147.11696	26.1
149.09573	1.3
149.13287	2.8
151.11139	0.8
155.08551	0.6
157.10132	7.4
158.10786	0.5
159.11697	14.9
161.09540	0.8
161.13257	17.9
163.03891	0.8
163.11119	1.4
163.14816	0.9
165.12801	0.7
169.10123	0.5
170.10921	0.8
171.10249	0.6
171.11702	10.4
173.02298	0.5
173.11908	0.8
173.13281	9.4
175.11183	1.3
175.14839	6.6
177.12729	1.4
185.13275	9.4
187.14818	1.5
189.12674	1.2
189.16335	0.7
199.14807	5.9
201.16415	1.0
213.16374	1.8
215.18001	1.2
217.15822	0.9
231.17444	0.7
231.21080	3.1
241.19516	18.7
259.20581	100.0
259.28040	4.7
260.20795	1.4
262.52380	0.5
277.11182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.35440	0.9
53.03958	1.7
55.01865	1.8
55.05511	10.2
57.07077	5.7
67.05509	19.1
69.03436	1.1
69.07083	8.0
69.35126	5.8
69.35551	3.6
71.04983	2.0
71.08629	2.9
74.20506	1.2
79.05493	18.6
80.05714	1.1
81.03438	1.1
81.06628	1.6
81.07057	18.7
83.08612	3.9
85.06546	1.5
91.05482	29.1
93.07051	24.5
95.04951	2.6
95.08612	16.3
97.06553	7.6
99.08086	1.9
103.05457	1.1
105.07035	41.1
105.57487	0.9
107.04946	2.6
107.08595	8.3
109.06488	1.1
109.10145	7.1
111.08084	1.8
113.09666	1.3
115.05499	1.5
117.07034	13.2
119.04961	1.6
119.08595	19.4
121.06508	3.2
121.10156	7.2
123.08071	2.0
123.11700	2.4
125.09568	1.2
128.06190	3.7
129.06999	14.1
131.08582	17.7
133.06522	5.0
133.10136	16.1
135.08067	2.8
135.11699	5.3
137.09596	1.6
142.07822	1.3
143.08554	12.6
145.10118	9.1
147.04404	4.3
147.08069	6.6
147.11688	18.2
149.09602	3.8
149.13287	3.8
155.08566	1.4
157.10139	17.1
159.11684	8.5
161.09615	3.0
161.13251	14.8
163.11198	2.3
165.12723	1.3
171.11720	15.8
173.02379	1.5
173.13263	9.8
175.11201	5.8
175.14825	6.6
177.12729	2.8
179.14272	1.0
185.13252	10.1
187.14809	2.7
189.12749	9.1
197.13271	1.2
199.14888	8.2
203.14319	2.4
212.98334	1.0
213.16391	2.1
215.06993	1.8
215.17937	3.2
231.17473	1.4
231.21143	6.9
241.19518	24.1
259.20584	100.0
260.20853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.6
57.03444	12.7
57.07065	10.7
57.77896	2.5
61.79196	2.5
67.05508	22.6
69.07078	14.9
71.04991	3.8
71.08646	4.2
72.04506	5.0
77.16997	2.8
79.05503	23.5
81.07062	23.2
83.08621	8.5
85.06535	3.3
91.05484	55.8
93.07059	28.7
95.04987	3.5
95.08628	23.0
97.06516	11.2
97.10190	5.7
98.97621	2.9
99.08118	2.9
105.06378	4.1
105.07042	69.0
107.08610	13.6
109.10137	6.6
111.08015	3.6
115.05411	6.1
117.07027	65.7
119.08588	46.8
121.10130	12.1
123.11722	3.4
125.49265	2.9
128.06203	7.5
129.07005	25.8
131.08580	72.0
133.09216	4.5
133.10146	56.1
135.08061	3.0
135.11653	6.3
141.07033	2.9
142.07751	3.2
143.08565	30.2
145.10118	50.9
147.11696	40.6
149.09608	6.4
149.13214	4.4
157.10115	21.1
159.11707	85.8
161.13252	16.1
163.03894	4.9
163.11241	4.2
171.11697	32.1
173.02348	3.9
173.13274	57.8
175.11180	4.7
175.14819	10.4
177.12688	4.4
185.13269	37.6
187.14825	44.9
199.14828	28.4
201.16347	5.2
214.15591	2.7
229.10114	3.0
231.25142	12.7
241.19547	36.9
259.13245	3.9
259.17120	7.1
259.20587	100.0
259.24582	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03941	2.1
55.01865	2.0
55.05510	8.2
56.96556	3.6
57.03419	1.9
57.07061	3.6
65.03941	2.0
67.05510	20.0
69.06773	0.9
69.07075	11.0
71.04977	2.9
71.60928	1.2
71.61629	0.9
79.05496	18.1
81.03399	1.0
81.07061	21.9
83.08601	2.7
85.06528	2.1
86.09657	0.8
91.05486	37.6
93.07046	19.8
95.04946	1.5
95.08614	13.2
97.06538	7.1
97.10174	1.7
98.97609	1.1
99.08080	2.7
103.05482	2.0
105.03371	0.9
105.07034	52.9
107.04956	0.9
107.08601	10.5
109.10152	5.6
111.08078	1.0
115.05447	1.4
117.07027	13.2
119.08588	37.1
121.10139	7.6
123.11650	1.4
125.09571	1.1
128.06194	1.8
129.07019	8.3
130.07793	1.1
131.04898	0.9
131.08575	20.8
133.03409	1.0
133.06435	0.9
133.10136	31.4
135.08089	2.1
135.11661	4.1
142.07761	1.3
143.08566	9.6
145.09012	1.5
145.10124	18.3
146.10780	0.8
147.08089	2.3
147.11699	27.4
149.09526	1.8
149.13216	2.4
157.10133	11.6
159.11688	16.3
161.09677	1.7
161.13264	18.0
163.03902	4.1
163.11185	2.2
171.11703	9.4
173.02296	4.3
173.09787	1.1
173.13275	9.3
175.11220	1.3
175.14841	9.6
177.12737	1.3
185.13245	10.8
187.14861	1.8
189.12859	1.1
199.14798	6.3
201.12761	1.1
201.16435	4.0
213.16312	2.5
215.07051	2.6
215.17885	2.4
217.13187	0.9
231.21111	2.0
241.19518	21.3
259.09723	1.9
259.20578	100.0
260.20920	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	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05500	1.1
56.05038	8.5
56.96555	3.6
57.88076	1.2
64.87337	1.1
67.05508	2.0
69.03419	1.7
69.07060	3.3
70.06581	1.6
70.97750	2.3
71.04990	1.2
72.08136	2.4
74.02451	9.0
75.02765	1.6
83.06108	61.2
84.04507	84.9
84.07677	1.9
84.08148	25.2
84.96033	2.0
85.02894	2.7
85.04824	2.6
86.09709	100.0
98.97604	5.3
100.07627	8.0
100.85225	1.0
101.04243	1.3
101.07154	7.3
110.97603	1.2
112.07584	1.3
116.98659	2.6
123.04366	1.5
128.98639	1.4
129.06587	4.6
129.10292	6.9
130.04994	4.6
130.08603	7.0
131.05356	1.8
131.08951	1.4
132.10210	34.8
141.06577	4.1
143.11749	2.0
144.06595	1.5
147.11320	4.0
151.09506	1.7
152.10677	1.7
157.13367	11.0
158.99661	2.4
161.09196	1.6
167.07018	2.8
172.04254	3.3
172.07561	1.7
176.01236	1.3
177.00632	1.1
185.12894	3.3
189.12370	1.5
196.14493	9.7
197.10110	1.9
197.12865	32.7
198.11287	1.2
199.14482	2.8
214.05254	2.0
216.17039	2.3
225.12292	3.2
242.15004	66.3
243.10933	2.3
243.13417	31.1
243.17006	1.3
260.09338	2.0
260.13263	3.4
260.16724	1.1
260.19684	3.9
281.87146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88961	0.5
53.50212	0.5
55.01865	1.0
55.05508	2.2
56.05030	4.4
56.96572	6.7
57.03423	1.2
58.06589	2.0
58.99854	0.8
59.99934	0.8
60.04529	1.2
60.08184	0.9
61.02938	0.6
65.03934	0.7
67.05505	1.7
69.03429	2.5
69.07070	2.6
70.06600	4.8
70.32038	1.7
70.99866	0.9
71.04994	0.6
71.95255	0.7
71.99937	1.7
72.04519	0.9
72.08160	25.1
72.25515	0.5
73.02918	2.0
74.03293	0.6
74.09709	2.1
78.01001	0.6
79.05465	0.7
81.03416	1.4
81.04543	0.6
82.99881	0.8
83.04980	0.9
83.06103	2.0
84.04511	12.7
84.08147	100.0
84.96048	1.3
85.02914	4.1
85.06548	0.6
85.08506	0.8
86.06086	1.0
86.09708	51.9
88.04018	0.6
96.04487	0.6
97.02895	4.2
98.06088	1.1
98.09692	0.5
98.21130	1.1
98.97590	16.4
99.97911	1.1
100.02218	2.0
100.06977	0.7
100.07626	12.8
100.46726	0.5
101.00888	6.0
101.02538	1.1
101.07175	1.4
101.10786	2.4
102.00945	4.1
102.05531	1.4
103.00648	1.3
103.02416	0.8
105.03373	0.8
107.04933	0.7
110.07188	0.8
110.97612	1.2
112.07585	0.6
112.11246	0.9
113.00867	0.8
114.05511	0.7
115.00632	0.6
115.02444	0.8
116.02578	0.6
116.07082	1.3
116.98618	9.3
117.98996	1.0
118.08651	2.9
119.01923	13.8
120.02017	12.0
121.01680	3.0
124.07626	1.1
127.03880	0.8
128.98618	1.3
129.03981	0.6
129.06506	0.5
129.10252	16.6
130.05013	13.4
130.06552	1.6
130.08646	9.6
131.01907	3.3
131.11766	0.6
132.02048	0.9
132.10201	1.9
133.01686	0.8
133.03474	3.4
134.03589	5.0
134.99669	3.3
135.03195	1.3
137.03006	2.4
138.03056	2.9
139.02646	1.3
139.03931	0.6
140.03447	2.1
143.00235	0.7
143.01892	2.0
143.11792	16.1
144.10194	1.5
145.03493	2.3
146.02701	0.8
146.03697	0.7
147.03122	1.8
147.07658	16.4
147.11302	12.9
147.98831	0.6
148.06084	1.5
149.02972	0.6
150.03088	0.8
151.04645	0.8
152.04692	1.5
153.00705	0.8
155.01955	0.7
157.03448	0.7
157.07657	0.7
157.13377	3.0
158.00024	0.8
158.04610	1.3
158.06660	1.2
158.99664	1.2
159.05040	0.8
161.02957	3.0
162.03165	2.2
163.03944	1.7
164.04477	0.7
170.99747	0.8
171.01184	3.0
171.05159	0.8
171.11287	4.7
172.01614	2.2
172.07596	5.0
173.03012	1.3
174.03110	1.0
174.99570	0.6
175.00903	2.7
176.01025	9.5
176.07649	2.9
177.00786	3.6
177.04291	0.6
178.07428	2.0
181.03546	1.7
182.99762	0.9
185.02982	0.7
185.12909	1.9
187.04478	0.8
189.00798	1.4
189.02489	2.2
189.12367	0.8
190.02605	8.2
191.02333	1.7
193.01920	0.8
194.02136	2.9
195.01718	0.7
195.05403	1.2
197.12943	1.8
198.03343	0.6
199.04636	1.7
199.14447	5.3
200.00931	0.9
200.02522	1.0
200.07671	6.4
201.00858	1.7
201.02516	1.2
201.10295	1.4
202.09219	0.7
214.05515	0.8
216.17139	1.7
217.02092	1.8
218.02121	14.7
218.08786	2.2
219.01805	5.9
219.05261	0.9
220.10422	0.8
221.05106	1.5
228.01874	1.0
231.03479	0.8
232.03883	0.6
235.03073	1.0
236.03111	7.9
236.98584	5.3
237.02847	2.5
237.06287	1.1
242.15086	2.6
242.18735	1.5
243.01939	1.0
243.13335	2.9
243.17029	7.7
255.01524	0.7
255.03786	0.8
255.07520	0.9
259.08606	0.9
260.00052	6.1
260.04376	3.2
260.06833	0.9
260.09769	3.7
260.12457	0.5
260.16086	2.3
260.16568	2.4
260.19687	16.8
261.03143	11.9
261.05914	3.4
261.08533	0.7
278.01050	5.1
278.03949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	56.0
60.72588	1.2
60.95840	3.8
70.21677	3.8
71.95242	2.5
74.53615	1.3
74.97616	2.2
75.12831	1.3
75.94524	1.6
84.96038	12.0
97.96750	1.2
98.97589	100.0
102.96873	31.9
103.36143	1.2
110.97565	29.6
112.99124	4.5
116.98631	45.5
120.97910	17.3
124.99099	2.7
126.97012	1.8
127.00660	4.2
128.98608	24.6
129.02237	2.1
131.00177	3.8
131.03836	1.6
134.99664	17.2
138.98920	7.8
140.00194	5.0
140.98592	20.5
143.00153	7.7
143.99455	1.6
144.98029	2.3
145.01668	1.6
146.99663	10.5
147.03241	2.0
149.01210	2.0
149.02368	2.1
149.04857	3.7
152.98631	8.3
155.00148	1.5
158.01291	1.7
158.99664	29.3
161.01216	8.8
170.99661	27.2
173.01192	2.4
175.06432	1.9
176.93631	3.1
177.00716	17.5
179.02304	2.0
182.01247	1.5
182.99690	8.1
189.00719	20.1
191.02223	2.9
193.07491	2.2
194.01324	1.5
194.94701	2.1
195.01729	1.4
196.97498	2.3
197.01167	1.2
200.02325	1.5
201.00691	23.3
207.01749	3.6
213.00743	4.5
214.95325	2.5
214.98618	4.3
215.02249	1.4
219.01758	35.6
219.09052	3.9
224.02299	2.4
231.01790	2.9
232.99582	1.5
236.95699	3.1
236.98384	1.5
237.00719	2.1
237.02831	24.1
238.03983	1.6
238.20549	1.3
242.03334	3.5
243.01828	3.1
254.96794	2.9
260.04352	2.2
260.95767	4.6
261.02817	40.5
261.10138	3.4
261.13098	4.5
261.19226	1.5
278.96826	33.5
279.03864	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.0
70.23000	0.2
70.41448	0.4
70.41848	0.4
82.99861	0.3
88.44416	0.2
98.97590	4.6
99.97951	0.3
101.00888	5.3
101.01559	0.4
102.00979	0.5
105.00008	0.2
110.97596	0.3
116.98628	2.2
119.01921	8.4
120.01990	0.5
121.01684	0.3
134.99719	0.6
137.02950	1.0
140.98773	0.7
142.03532	0.3
143.01874	0.4
149.02345	0.3
149.03493	0.2
158.99837	2.0
161.02963	0.6
165.99626	0.2
170.75249	0.2
173.37231	0.2
175.03065	0.5
177.00957	14.3
178.01120	0.4
182.99876	1.1
201.00961	3.3
202.00824	0.2
217.04085	3.1
219.02010	19.1
220.02100	0.9
221.01825	0.5
222.53574	0.2
225.00879	2.6
236.98611	0.3
237.98721	4.0
238.98318	1.0
243.01993	12.8
244.02139	0.6
261.03064	100.0
262.03198	3.2
263.03513	0.3
266.03583	0.4
275.04559	0.6
278.97095	0.3
279.00632	1.5
284.04617	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	261.076
Annotation	Khellin
Peak:m/z	Relative Intensity
53.03927	0.8
54.60399	0.6
55.01859	1.0
55.05494	1.1
56.05026	2.3
56.66770	0.8
56.96572	4.5
57.03430	0.9
60.04521	0.9
60.99160	0.8
65.03918	1.2
67.05484	0.8
69.03416	1.4
69.07035	1.3
69.65070	5.0
70.06569	1.0
71.04969	0.9
72.08144	1.4
76.03138	0.7
76.98940	0.7
79.05473	2.5
80.05004	1.0
81.03420	1.1
81.07053	1.5
81.84899	0.8
83.04960	0.7
84.08141	2.0
84.96020	1.0
85.02918	1.9
86.09718	4.4
91.05487	3.8
93.07034	2.2
94.86441	0.7
95.04959	1.1
95.08594	1.7
97.02875	1.5
97.06493	0.8
98.09682	1.9
98.97585	7.6
102.05507	1.0
103.05451	1.8
103.68127	0.8
105.07037	1.1
107.08606	0.9
108.16547	0.8
110.09736	0.8
110.97560	3.0
115.03789	1.3
115.05472	8.9
116.05505	0.9
116.06246	10.0
116.98595	3.0
117.07020	6.4
119.08569	1.9
120.08096	3.5
122.94852	0.7
123.08048	1.3
124.07573	0.7
127.05350	0.7
128.06236	10.3
128.07117	1.4
128.98584	2.4
129.07059	4.3
130.04152	1.7
130.06564	0.8
131.04898	2.5
132.10184	1.1
139.03929	0.8
141.06975	1.7
142.04131	1.1
143.04927	6.9
144.05661	3.0
145.05386	1.0
145.06493	11.2
146.06076	0.9
147.04398	2.4
149.02324	3.1
153.06978	0.8
155.04889	2.1
155.06030	2.5
156.05705	39.8
156.10222	1.9
157.02910	0.8
157.06497	28.3
158.03633	2.2
158.06029	0.9
158.08020	1.6
158.99644	2.2
159.04375	2.0
160.05183	1.1
161.06081	0.9
163.07570	1.7
170.05916	1.1
170.09607	0.9
170.99632	1.1
171.04404	13.6
172.03816	0.9
172.05202	12.4
172.07538	1.2
173.05986	15.8
173.09529	1.0
174.06726	2.6
175.03896	1.1
175.07463	0.9
177.00676	2.1
185.05986	3.6
186.03046	1.4
187.04002	2.2
187.07541	1.3
188.04727	1.2
189.05472	3.5
190.06256	1.3
198.03065	1.0
199.03893	4.4
200.04688	40.3
201.00764	0.9
201.05447	14.0
202.06244	6.0
203.03403	1.1
205.08600	1.1
211.04993	1.2
215.03415	2.1
215.07121	0.9
217.05084	2.5
217.08614	67.5
218.05678	1.4
219.01802	3.5
219.06602	1.0
225.10289	0.9
226.08693	1.8
228.04187	28.3
229.04970	14.8
231.02974	1.3
231.06468	2.8
233.04298	1.0
233.08060	3.3
237.02847	4.2
243.11455	4.1
244.09702	2.9
245.04372	1.2
246.05249	19.1
261.04190	3.6
261.07584	100.0
261.10553	3.3
262.07837	1.5
269.10532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09270	0.9
53.13438	1.0
53.17632	1.1
53.82229	0.9
55.01870	2.3
55.05494	3.2
56.05025	2.5
56.96551	4.5
57.03410	2.0
57.07043	0.9
59.52294	0.8
60.20548	0.8
65.03911	2.0
67.05496	3.8
69.03442	4.9
69.07090	1.1
70.06578	2.3
71.60506	1.4
72.08128	1.7
73.02907	1.5
74.02454	8.2
77.07477	1.0
79.05477	1.4
81.07065	2.5
83.04969	1.2
83.08613	2.0
84.04469	1.6
84.08121	4.0
84.96027	1.5
85.02876	2.2
86.09693	4.2
91.05472	3.5
93.07027	1.7
95.04987	7.2
95.08591	2.8
97.02879	2.7
97.06547	1.3
97.23957	0.9
98.09682	2.0
98.97588	9.4
103.05484	1.7
105.06990	2.2
106.21658	1.2
107.04980	1.2
107.08594	1.5
108.05720	2.0
110.97563	1.5
115.05447	11.0
116.01646	2.9
116.06233	3.7
116.98599	3.8
117.06994	3.3
118.06545	7.2
119.04891	1.1
119.08565	3.1
120.08102	1.5
121.06535	1.4
121.10168	1.3
123.08076	14.0
128.06277	5.7
128.07059	1.4
128.98642	1.8
129.07004	3.1
130.06531	7.6
131.04912	2.0
131.08572	1.8
132.04387	3.1
132.08089	1.1
133.04909	1.1
133.06464	1.6
134.99603	1.4
141.07005	2.1
142.06532	20.8
143.00189	1.6
143.04893	1.7
143.08585	2.7
144.01190	1.2
144.08043	2.3
145.06461	6.2
145.07599	24.5
145.08766	1.4
146.05998	1.6
146.99666	2.0
147.04417	2.0
149.02325	6.3
149.03441	2.3
155.06058	2.0
156.05714	15.4
156.09302	4.9
156.55466	1.3
157.06496	12.1
157.07623	1.6
158.06003	6.9
158.99655	1.5
160.07512	3.1
162.02220	1.4
169.07588	1.6
170.06020	100.0
170.99608	1.7
171.04453	6.1
171.11702	5.1
172.05209	4.6
173.05971	8.6
175.07468	2.3
177.00746	1.8
184.08809	1.2
187.03886	1.2
188.07071	84.9
189.00745	1.9
189.05516	1.2
189.07443	1.3
189.12753	1.8
199.03969	1.6
199.11177	12.5
200.04691	14.6
201.00621	1.5
201.05299	5.0
202.06268	1.4
215.10596	2.1
217.05293	1.1
217.08609	25.6
217.12257	3.7
219.01770	3.6
228.04153	11.5
229.04868	6.2
231.06526	1.8
233.08118	2.0
237.02785	5.4
246.05186	6.0
251.01811	1.2
261.03210	1.9
261.07571	38.1
261.10880	2.8
261.12933	3.1
261.15176	1.7
261.19495	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.05515	12.3
57.07060	3.2
65.03940	1.2
67.05505	37.7
69.07072	11.8
70.09482	3.9
71.04993	1.6
71.08644	0.9
77.03927	1.2
79.05496	52.7
81.07060	44.4
83.05000	1.3
83.08618	5.6
85.06532	2.6
91.05484	28.7
93.07051	66.2
95.05017	4.1
95.08606	34.8
97.06520	3.4
97.10164	2.4
99.08085	3.8
105.04530	1.3
105.07024	18.0
107.08600	44.2
109.06504	1.2
109.10150	13.1
111.08070	3.4
113.09660	1.8
117.07015	6.4
119.08582	13.1
121.10145	41.9
123.08091	1.6
123.11709	4.0
131.08572	13.8
133.10141	12.5
135.08023	1.3
135.11700	33.9
137.09596	1.5
137.13235	1.9
145.10138	12.2
147.11697	9.7
148.44048	1.1
149.13263	26.1
151.11137	1.1
151.14748	1.1
154.37688	0.9
159.11694	9.2
161.13281	11.1
163.14824	20.0
173.13249	10.1
175.14851	3.9
177.12714	1.0
177.16362	5.9
179.14323	1.7
183.25690	0.8
187.14835	7.3
201.16396	3.6
215.17870	1.2
217.19489	1.0
219.17593	1.0
242.38367	0.8
243.21103	29.0
261.22150	100.0
262.22513	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.38503	1.0
53.03938	3.5
55.05285	1.1
55.05511	12.0
57.07060	3.5
61.79649	0.9
65.03938	2.6
67.05508	46.1
69.06764	1.1
69.07072	13.4
70.23972	1.1
70.91920	1.4
70.92255	1.9
71.04987	1.3
77.03949	1.3
79.05499	56.2
81.07061	44.3
83.08627	7.2
85.06528	3.1
91.05485	32.4
93.07049	73.2
95.04956	4.6
95.08613	32.9
97.06527	3.2
97.10189	2.3
97.21327	1.0
99.08085	5.1
105.07033	18.7
105.36423	1.0
107.08599	48.5
109.06564	1.5
109.10158	15.1
111.08092	2.6
113.09637	2.7
117.07040	6.3
119.08581	18.0
121.10145	37.5
123.11692	3.2
131.08578	13.5
133.10130	13.2
135.11699	38.0
145.10127	14.9
147.11671	9.7
149.13255	25.3
159.11699	10.7
161.13252	12.6
163.11191	1.3
163.14827	17.6
165.12833	1.6
173.13257	12.2
175.14824	5.5
177.16414	4.4
179.14423	2.3
187.14786	7.6
189.16302	1.7
201.16426	3.1
215.17950	2.4
223.56290	0.9
233.22585	1.7
243.21101	28.2
261.22159	100.0
262.22574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06281	0.5
53.03938	3.0
55.01883	0.8
55.05513	13.8
57.03442	1.3
57.07078	3.9
62.33814	0.5
64.87008	0.6
65.03956	1.4
67.05507	39.6
69.07067	11.5
69.65597	1.3
69.66014	2.7
71.04990	2.5
71.08649	1.2
77.03923	1.3
79.05494	56.1
81.07058	49.1
81.07420	0.9
81.07555	0.9
83.04972	0.9
83.08615	7.7
85.06550	3.2
91.05479	27.1
93.07045	73.1
95.04972	4.1
95.08608	37.2
95.09235	1.1
97.06509	3.8
97.10168	2.5
98.21449	1.2
99.08104	3.5
105.04509	0.9
105.06493	0.3
105.07030	18.3
107.08595	47.9
109.06522	2.4
109.10154	14.6
111.08096	2.3
113.09652	1.8
117.07013	6.1
118.99193	0.6
119.08589	14.6
121.10146	41.4
122.10555	0.7
123.08061	1.2
123.11718	4.9
125.09663	0.8
129.06963	0.6
130.07811	0.6
131.08574	15.2
133.10130	12.4
135.11699	34.3
137.09615	2.2
137.13254	1.7
139.11166	1.3
143.08592	0.8
145.10126	13.7
147.11690	11.1
149.13261	26.6
151.11169	1.0
151.14807	1.0
153.12743	0.6
159.11708	11.4
161.13257	12.9
163.14819	21.0
165.12749	0.9
173.13275	10.1
175.14839	5.5
177.16364	5.0
179.14296	1.6
185.13225	0.8
187.14828	7.8
189.16315	0.9
191.14265	0.6
201.16348	2.6
203.18024	0.9
205.15849	0.8
215.17982	2.0
219.17419	1.3
233.22658	1.3
241.90186	0.7
243.21098	32.1
261.22147	100.0
262.22540	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02374	0.5
51.19696	0.5
53.03957	3.1
55.01863	0.7
55.05256	0.8
55.05513	14.4
57.03431	1.4
57.07078	4.1
59.14726	0.6
65.03927	2.0
66.04786	0.7
67.05508	38.4
69.06718	0.8
69.07075	13.1
70.83832	1.5
71.04993	2.7
71.08614	1.4
75.97417	0.5
77.03893	0.7
79.05498	53.6
81.07060	47.9
83.04985	0.9
83.08623	7.8
85.06554	4.2
91.05488	25.5
93.07049	67.8
95.04970	3.8
95.08611	33.7
95.09118	0.4
97.06526	2.5
97.10165	2.7
99.08109	2.9
105.04510	0.9
105.07033	19.6
107.08601	46.0
109.06512	1.7
109.10158	16.1
111.08115	3.0
111.11686	1.0
113.09632	0.8
117.07008	6.0
119.06009	0.7
119.08591	15.3
121.10151	40.4
122.10461	0.7
123.08080	2.2
123.11718	4.9
125.09652	0.9
131.08574	14.7
133.10133	14.0
135.08076	1.2
135.11699	33.8
136.22675	0.6
137.09636	2.2
137.13245	1.3
139.11180	0.9
142.58868	0.5
145.10133	13.5
147.11699	11.3
149.13260	28.4
151.11182	1.6
153.12741	0.8
159.11714	11.0
161.13272	11.4
163.14836	18.0
165.12747	1.5
173.13254	10.8
175.14847	4.3
177.12831	0.6
177.16391	5.9
179.14261	1.3
187.14812	6.7
189.16463	1.0
191.14397	0.7
201.16432	2.9
205.15982	0.7
215.18019	1.6
217.19571	0.8
219.17479	0.7
233.22626	1.1
243.21094	30.4
244.21542	1.5
261.22150	100.0
262.22443	1.6
267.02197	0.6
278.42340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03949	4.1
55.01863	0.7
55.05516	11.8
57.03448	1.4
57.07086	4.0
65.03938	1.5
67.05508	41.3
69.07069	13.0
71.04990	3.2
71.08632	1.6
71.60218	0.7
72.11015	0.5
77.03916	1.0
79.05498	57.2
81.03452	0.8
81.07060	53.3
83.04987	1.5
83.08629	7.6
85.06559	3.4
91.05482	28.6
93.07050	77.3
95.04956	3.8
95.08611	37.6
97.06549	3.9
97.10185	2.5
97.49215	0.6
99.08080	3.2
105.04543	1.2
105.06460	0.4
105.07034	20.4
107.08601	49.2
109.06541	2.0
109.10159	16.0
109.24691	0.5
111.08109	3.7
111.11719	0.8
113.09692	0.8
115.85209	0.5
117.07024	5.8
119.08580	15.0
121.10153	42.9
123.08060	1.4
123.11713	6.5
125.09599	1.4
129.07025	0.8
130.07805	0.6
131.08571	16.9
133.10135	12.0
135.08066	0.8
135.11702	35.5
137.09564	1.9
137.13258	2.7
139.11183	1.0
145.10136	15.7
147.11688	11.4
149.02361	1.6
149.09657	1.1
149.13264	26.0
150.13632	0.6
151.11226	1.0
151.14876	0.9
153.12811	0.7
159.11697	12.1
161.13271	10.9
163.14827	20.1
165.12840	0.8
173.13257	9.9
175.14810	3.3
177.12769	0.9
177.16405	4.7
179.14345	2.3
187.14824	7.4
189.16371	1.1
191.14374	0.8
201.16394	4.6
203.17929	0.9
205.15840	0.8
215.17981	2.1
233.22690	1.2
243.21094	31.2
244.21593	1.0
261.13043	1.6
261.22156	100.0
262.22348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	4.0
54.55810	0.8
55.01869	1.0
55.05296	0.9
55.05514	10.8
57.03432	1.2
57.07085	4.8
62.83445	0.9
65.03939	1.1
67.05176	2.3
67.05506	36.3
69.07062	12.2
71.04980	2.1
71.08631	2.0
71.14191	2.2
71.34830	0.9
71.58820	0.9
77.03925	1.8
78.45390	0.9
79.05495	53.3
81.07059	46.3
83.08620	7.5
85.06534	3.4
90.42254	0.9
90.55555	0.8
91.05479	27.0
93.07046	68.9
95.04948	3.0
95.08609	31.9
96.01212	1.0
97.06514	3.6
97.10155	3.2
99.08096	4.7
99.38023	0.9
105.04507	1.3
105.07029	17.8
107.08591	43.2
109.06535	1.8
109.10168	11.7
111.08080	3.4
117.07022	6.6
119.08592	14.6
121.10146	39.9
123.11694	4.3
125.91524	0.9
130.07826	1.1
131.08568	13.5
133.10132	14.8
135.11699	33.7
137.13303	1.9
145.10127	12.0
147.11682	12.1
149.13263	29.1
159.11688	8.8
161.13257	11.8
163.14828	18.5
165.12697	1.5
173.13261	9.4
175.14841	4.3
177.16415	4.1
179.14185	1.0
187.14795	5.7
201.16365	3.2
210.37047	1.2
243.21075	28.6
261.22147	100.0
262.22470	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.74461	0.6
53.03949	3.2
55.01867	1.8
55.05514	15.0
56.96571	2.7
57.03445	1.4
57.07070	5.7
60.32221	0.5
65.03936	2.2
67.05505	50.7
67.57713	0.6
69.03422	0.8
69.07071	16.1
69.68604	3.4
71.05001	2.3
71.08629	4.1
77.03934	1.2
79.05495	80.1
81.03423	0.8
81.07057	57.1
83.04991	1.8
83.08618	8.7
85.06539	4.7
85.10206	1.6
88.57173	0.6
91.05481	43.9
93.07047	100.0
95.04983	6.4
95.08610	42.7
97.06525	4.9
97.10172	2.8
98.97592	1.5
99.08114	4.9
103.05437	0.9
105.04520	2.3
105.07033	27.3
107.04953	0.8
107.08597	60.9
109.06524	2.7
109.10159	14.8
109.10894	0.9
111.07430	0.6
111.08099	4.3
113.09632	2.3
117.07030	10.3
119.08588	20.4
121.06524	1.1
121.10145	43.5
123.08071	2.7
123.11708	5.1
125.09626	1.2
129.07008	1.1
131.08569	21.7
133.10147	13.7
135.08052	2.1
135.11696	37.4
137.09604	1.3
137.13261	2.2
143.08524	0.9
145.10120	18.7
147.11694	12.0
149.02356	2.0
149.03453	0.7
149.09622	2.0
149.13264	27.8
151.11201	1.0
151.14793	1.0
153.12750	1.1
157.10176	1.1
159.11711	12.8
161.13261	11.5
163.11159	1.9
163.14828	15.5
165.12833	1.2
171.11667	1.2
173.13272	13.6
175.14821	5.4
177.00662	0.8
177.16408	5.7
179.14362	1.5
185.13173	0.7
187.14832	8.4
189.00652	0.6
201.16403	4.2
205.15964	1.5
215.17960	2.3
217.19492	1.3
219.17412	1.5
233.22664	2.8
243.21085	34.1
244.21434	0.8
261.22134	98.2
262.22507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.10806	0.2
56.96567	0.3
57.07076	1.6
68.80171	0.3
69.03418	0.6
70.06593	3.0
70.76358	0.3
70.76707	0.7
71.08625	1.0
84.08125	0.3
87.04472	31.9
88.07640	3.1
91.05492	0.4
98.97572	0.4
102.09197	0.4
106.08658	0.3
108.60741	0.2
114.09179	1.0
118.06551	11.7
118.08685	0.4
119.07333	0.5
120.08099	0.4
132.08095	4.5
132.09045	0.4
132.09242	0.3
132.10208	3.8
133.08884	2.2
134.09650	1.2
136.06102	0.3
146.09630	4.1
147.10468	0.6
150.11285	3.8
157.50493	0.3
176.14357	75.5
177.14711	0.6
186.18552	0.3
195.48273	0.3
201.37859	0.3
218.11768	0.5
218.21156	1.6
232.13455	0.4
262.18042	100.0
262.23776	21.0
263.18390	1.0
283.85980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63895	13.3
65.80700	14.4
70.48227	34.1
101.00870	32.6
102.81872	12.7
105.95521	16.3
118.08660	20.2
119.01925	21.0
131.01878	18.0
133.84200	14.4
137.57796	15.9
143.01901	60.2
155.01909	27.4
161.02980	100.0
173.02969	27.5
239.26302	20.3
248.66481	17.1
263.01523	41.8
263.05930	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.6
58.74894	0.5
59.07377	0.7
64.50436	0.5
68.98301	0.7
69.03425	1.0
69.76445	3.3
72.08172	0.7
73.02930	0.6
74.07196	0.7
78.35248	0.5
82.99829	4.4
83.57009	0.5
86.99305	0.8
94.99828	0.7
97.02904	1.2
101.00883	32.2
113.00880	10.4
115.02431	0.9
118.08664	19.2
119.01928	31.0
127.02407	0.7
128.53636	0.6
131.01915	18.9
133.03491	0.9
134.00105	0.6
137.02985	1.8
143.01903	65.1
144.01993	0.7
145.03482	1.2
145.14532	3.0
146.09294	3.2
146.14824	0.7
149.02945	1.6
155.01891	14.1
157.03531	1.4
161.02963	100.0
162.03096	1.1
167.01907	1.4
173.02968	35.3
175.04573	0.7
179.04007	1.7
184.04613	1.7
185.02979	6.2
185.24471	0.5
191.04015	17.9
191.05750	0.9
197.03049	1.0
203.04016	24.0
221.05135	2.9
233.05087	1.7
239.06047	0.7
245.05136	1.3
259.70453	0.6
263.06122	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.8
60.35068	0.6
70.06580	0.7
70.14863	1.6
73.02919	1.1
82.99838	3.9
84.08136	0.8
85.02882	1.0
86.99324	0.7
94.99833	0.9
97.02868	1.4
98.21499	0.7
98.97584	2.3
101.00876	32.3
105.00317	0.6
105.25789	0.5
113.00866	9.2
115.02404	0.8
116.98581	0.8
118.08688	0.7
119.01920	33.1
131.01901	17.5
133.03447	0.7
137.02951	2.1
143.01892	62.8
145.03511	1.7
149.02977	1.4
155.01883	11.1
157.03441	2.7
158.99675	1.1
161.02953	100.0
162.03133	1.0
167.01865	1.4
173.02963	26.0
175.04533	1.2
179.03986	1.8
184.04497	1.6
185.02968	5.4
191.03999	15.0
191.31653	0.6
197.02962	1.6
203.04007	26.4
215.03954	1.4
221.01822	0.7
221.04987	3.3
233.05072	2.3
245.01682	0.5
245.04968	0.7
245.07240	0.9
263.02942	3.6
263.06128	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03945	1.8
55.05513	16.2
56.96574	0.8
57.03433	1.9
57.07081	10.0
65.03945	2.9
67.05506	91.6
69.07068	16.4
69.88454	2.5
69.88867	0.9
71.04990	2.1
71.08633	8.0
79.05495	23.4
81.07059	100.0
83.04981	1.9
83.08618	14.3
85.06556	4.1
85.10167	2.9
88.26545	0.7
91.05482	18.9
93.07048	22.7
95.04987	2.1
95.08609	86.1
97.06534	8.1
97.10162	6.6
98.21446	1.4
99.08118	5.0
104.99279	2.1
105.07030	10.7
107.08595	15.7
107.09271	1.0
109.06543	1.6
109.10159	44.9
111.08092	4.3
111.11720	0.9
113.09661	3.3
119.08588	12.0
121.10149	18.0
123.08055	2.6
123.11716	17.4
125.09615	1.1
127.11208	2.1
131.08574	0.7
133.10141	14.6
135.11693	9.7
137.09634	1.7
137.13257	7.5
139.11183	0.9
141.12758	1.7
147.11694	10.0
149.13261	8.4
149.67839	0.7
151.11177	1.1
151.14819	8.1
155.01988	0.7
155.14325	1.8
161.13281	10.3
163.14822	8.5
165.16412	9.6
167.14268	0.9
175.14810	7.0
177.16402	1.7
179.17964	3.7
181.15872	1.7
189.16373	3.1
199.06451	2.1
203.18031	1.3
210.05785	0.6
217.07478	1.5
217.19553	2.3
219.21140	0.8
245.22667	31.5
263.23709	68.6
264.24075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	2.2
55.01867	0.9
55.05513	15.6
57.03434	1.4
57.07077	10.7
65.03940	2.1
67.05506	86.2
69.06709	1.3
69.07068	17.6
69.40577	1.4
69.40977	4.6
71.04989	1.6
71.08627	6.3
77.06647	0.7
79.05495	20.8
81.07058	100.0
83.04984	1.9
83.08627	12.4
83.36776	0.7
85.06552	4.7
85.10180	2.2
87.64880	0.7
91.05481	16.8
93.07046	21.2
95.04956	2.1
95.08607	82.4
96.08920	1.0
97.06524	7.0
97.10168	7.4
99.08080	4.9
104.99293	4.1
105.07028	11.5
107.08603	12.6
109.06525	1.0
109.10155	42.6
111.08079	4.8
111.11722	1.2
113.09647	4.8
119.08585	11.9
119.83926	0.8
121.10150	14.6
123.08031	1.6
123.11704	18.5
127.11184	2.1
131.08575	1.0
133.10138	12.5
135.11691	9.2
136.08383	0.8
137.09644	2.3
137.13257	7.7
141.12750	1.7
147.11688	8.6
149.13254	9.0
151.11154	1.6
151.14841	6.5
155.14304	1.5
157.79305	0.7
161.13248	9.8
163.14833	7.1
165.16385	8.2
167.14281	0.8
175.14848	7.2
177.16397	1.8
179.17906	3.1
181.15932	1.3
189.16368	3.2
203.12727	0.8
203.17958	1.7
217.19572	1.4
219.21004	1.0
245.22664	29.4
247.11673	1.3
248.12320	1.2
263.14615	8.7
263.23712	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.32405	0.7
53.38497	0.7
55.05253	1.0
55.05512	15.7
57.03431	2.4
57.07077	11.7
65.03934	2.9
67.05507	83.3
69.03415	1.0
69.06715	1.0
69.07072	17.1
71.04982	2.0
71.08629	6.4
71.60349	1.4
79.05499	22.6
81.03433	1.2
81.07061	100.0
83.04974	2.0
83.08623	14.3
85.06548	5.3
85.10184	3.2
91.05489	15.7
93.07047	26.1
95.04979	1.9
95.08610	85.3
97.06530	7.3
97.10184	7.0
99.08106	5.0
104.99268	10.0
105.07037	12.8
107.08601	14.7
109.06518	1.1
109.10162	47.0
111.08091	5.1
111.11730	1.4
113.09630	3.1
119.08588	12.7
121.10157	16.6
123.08079	3.0
123.11713	17.3
125.09679	1.6
127.11218	2.0
131.08618	1.0
133.10139	13.9
135.11681	10.5
137.09621	2.5
137.13275	7.3
139.11192	1.4
141.12708	1.3
145.10097	1.0
147.11691	11.2
149.13269	10.2
151.11208	1.2
151.14809	7.2
155.14325	1.6
161.02937	1.8
161.13252	9.7
163.14821	8.8
165.16386	7.7
168.95718	1.2
169.87776	0.8
175.14821	8.8
177.16420	1.6
179.17943	3.4
181.15833	1.1
183.09341	1.1
186.96828	3.3
189.16406	3.6
203.17961	2.0
204.97873	0.9
205.19456	0.9
217.19548	1.1
245.22647	32.8
263.05811	1.1
263.14572	2.3
263.23712	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.68462	0.7
53.03950	1.5
55.05514	15.0
57.03444	1.7
57.07078	12.2
57.55344	0.7
65.03945	2.6
67.05509	86.5
69.07069	18.6
71.04991	1.9
71.08640	6.0
71.09937	0.8
74.38503	0.7
75.58440	0.8
79.05500	21.3
79.15903	0.8
81.07063	100.0
83.04990	1.3
83.08631	13.9
85.06564	4.7
85.07017	0.8
85.10185	2.9
91.05484	17.6
93.07051	22.9
94.76973	0.7
95.04961	1.5
95.08613	84.7
97.06542	7.4
97.10180	6.0
98.20695	2.4
99.08086	5.4
104.99285	2.3
105.07050	11.6
107.08604	13.6
109.06532	0.9
109.10165	42.3
111.08089	3.7
111.11715	1.6
113.09651	3.8
119.08586	13.6
121.10146	14.6
123.08072	2.2
123.11714	18.2
125.09644	1.3
127.11263	1.5
133.10133	13.0
135.11716	8.7
137.09636	2.7
137.13245	6.6
141.12746	2.7
145.24564	0.8
147.11716	10.5
149.13263	8.4
151.11227	1.5
151.14859	6.5
153.12895	1.0
155.14330	1.8
161.13268	8.8
163.14836	6.1
165.16400	8.5
167.14316	0.9
175.14836	7.6
177.16385	1.3
179.17960	3.3
181.15912	1.0
189.16403	3.3
203.17950	0.9
217.19608	1.0
245.22668	27.1
263.23727	61.2
276.26202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01862	1.0
55.05511	15.7
57.03425	1.7
57.07071	11.9
65.03933	3.2
67.05506	82.8
67.48383	0.8
67.75796	0.9
69.07068	18.3
70.60435	0.9
70.71299	2.2
71.04982	2.2
71.08624	5.8
79.05051	1.3
79.05498	20.5
81.07057	100.0
83.04974	2.5
83.08186	1.6
83.08624	13.8
85.06532	4.0
85.10178	2.7
91.05482	20.2
91.35412	0.7
93.07048	23.8
95.05023	2.1
95.08607	82.6
97.06530	9.4
97.10175	5.8
99.08077	5.8
104.99297	2.5
105.07036	13.6
106.07377	1.0
107.08591	13.2
109.06501	3.3
109.10157	45.1
111.08069	4.6
113.09651	2.7
119.08582	11.3
121.10137	15.7
123.08064	3.7
123.11708	18.4
125.09618	1.4
127.11235	1.3
131.08627	1.0
133.10123	15.6
135.11687	9.9
137.09628	3.1
137.13231	8.6
138.62495	0.9
141.12767	1.4
147.11696	10.7
149.13257	8.6
151.11119	0.9
151.14841	6.8
153.05679	1.0
153.12715	0.9
155.14305	2.1
161.13246	11.4
163.14848	8.0
165.12637	1.2
165.16402	9.1
167.14491	1.1
175.14807	7.4
177.16418	1.9
179.17958	4.0
189.16397	4.5
203.17947	1.5
205.19441	0.9
207.17491	1.3
217.19461	2.2
221.13289	1.3
245.22653	31.0
263.08307	1.5
263.17789	1.4
263.20135	10.9
263.23718	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03927	1.2
57.03437	4.9
60.04517	3.6
61.02914	4.9
69.03439	16.9
69.07070	5.9
70.73027	4.5
71.04998	1.4
73.02916	1.7
77.51122	1.4
81.03410	5.1
85.02908	93.3
87.04467	1.9
91.03977	1.6
97.02880	14.6
97.88446	1.3
99.04442	2.5
102.09187	100.0
109.02866	8.7
115.03899	1.9
116.07082	4.0
117.07440	2.6
120.08100	4.6
121.08445	4.0
127.03929	13.4
145.04948	7.3
169.53185	1.2
233.75676	1.2
264.14450	1.9
285.68356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01865	1.8
56.96544	1.6
57.03435	4.8
57.07068	2.1
57.48442	1.0
60.04512	3.5
61.02932	5.4
67.05495	1.4
69.03112	1.3
69.03434	13.1
69.07073	6.4
69.88814	3.2
69.89221	2.5
70.06599	1.1
71.04988	2.2
73.02909	1.8
81.03414	5.6
85.02908	82.6
97.02908	11.6
98.21383	1.8
98.97604	1.8
99.04461	2.3
102.09182	100.0
109.02892	7.9
121.02865	2.2
127.03922	11.9
145.02837	1.9
145.04955	7.2
152.05673	1.3
170.33623	1.0
177.05405	1.5
178.05000	1.4
178.08617	1.5
204.06693	1.3
214.90578	1.0
264.19748	1.4
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	Feruloylputrescine
Peak:m/z	Relative Intensity
62.85904	0.3
67.05495	0.7
69.80445	1.6
70.22590	0.3
72.08160	16.0
75.71707	0.3
76.01866	0.3
80.89156	0.4
81.03424	1.8
81.07082	0.4
86.09688	0.6
89.03914	5.5
89.10798	11.8
91.05518	0.6
98.06030	0.9
103.05484	0.7
106.04211	0.5
109.02821	0.4
109.10155	2.5
115.08697	1.4
117.03387	20.8
121.02868	3.5
122.07144	0.7
131.61148	0.4
134.03635	1.1
135.04439	0.8
145.02852	57.9
149.05986	8.4
152.05687	1.7
153.46574	0.3
163.03937	0.8
177.05476	100.0
178.05841	0.8
186.05579	0.5
190.12993	0.3
195.12886	0.3
218.90450	0.3
248.12851	5.1
265.07056	0.8
265.15485	13.0
266.12476	0.3
289.21805	0.4
289.97629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
56.53136	0.3
58.84589	0.3
63.02362	0.4
63.50901	0.3
69.03410	0.8
69.66489	2.2
72.08160	8.6
81.03416	0.7
81.59966	0.3
83.19698	0.3
85.02912	0.5
89.03916	4.6
89.10804	4.8
90.23434	0.3
91.05476	0.4
97.02902	0.5
98.06094	0.4
106.04118	0.4
115.03945	0.6
115.08708	1.5
117.03387	18.6
120.08088	0.9
121.02853	1.1
134.03624	1.1
135.04422	0.5
142.31940	0.3
145.02853	58.3
146.03249	0.4
149.05984	7.1
177.05478	100.0
178.05850	0.6
248.12834	6.9
265.15491	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03939	1.6
55.05514	12.2
56.96570	5.5
57.03422	1.1
57.06802	0.9
57.07069	2.5
58.06585	1.4
59.04976	0.9
65.03929	3.4
67.05509	100.0
69.03421	1.1
69.07074	12.1
70.84494	2.9
70.84857	1.1
71.04984	2.6
79.05499	15.1
79.50274	0.9
81.07059	92.8
83.04967	2.7
83.08611	4.6
85.06546	3.2
91.05489	5.3
93.07053	12.4
95.04984	1.2
95.08614	85.4
97.06515	2.2
97.10150	2.9
98.09677	1.2
98.97590	3.7
99.08090	1.2
105.07025	4.4
107.08599	8.4
109.06492	1.4
109.10162	66.4
111.08111	1.2
111.11691	1.1
116.98621	1.5
117.07021	1.2
119.08570	3.4
120.42431	0.9
121.06487	1.1
121.10171	8.6
122.07150	3.9
123.08086	2.4
123.11716	29.9
124.11241	13.6
125.09634	1.2
128.98628	1.2
129.77171	0.9
131.08562	3.3
133.10143	3.9
134.13025	0.9
135.08075	1.2
135.11696	6.0
137.09607	1.6
137.13290	6.6
143.08592	0.9
144.04814	1.0
145.10132	1.6
147.11690	3.4
149.09634	1.5
149.13268	3.0
150.12814	2.0
151.11215	1.9
151.14699	1.5
159.11671	3.4
161.13234	1.4
163.11162	2.2
163.14899	1.6
165.12730	1.3
168.13940	1.6
173.13220	4.5
177.12819	1.9
177.16321	1.1
181.12198	1.3
187.14793	2.0
195.13785	2.6
202.74858	0.9
207.56450	1.1
209.15424	2.3
223.16881	1.7
229.19499	1.5
241.11330	1.2
243.08998	1.2
247.20648	4.3
253.94949	1.0
265.03418	1.3
265.07761	2.3
265.21686	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05514	12.2
56.96570	5.5
57.03422	1.1
57.06802	0.9
57.07069	2.5
58.06585	1.4
59.04976	0.9
65.03929	3.4
67.05509	100.0
69.03421	1.1
69.07074	12.1
70.84494	2.9
70.84857	1.1
71.04984	2.6
79.05499	15.1
79.50274	0.9
81.07059	92.8
83.04967	2.7
83.08611	4.6
85.06546	3.2
91.05489	5.3
93.07053	12.4
95.04984	1.2
95.08614	85.4
97.06515	2.2
97.10150	2.9
98.09677	1.2
98.97590	3.7
99.08090	1.2
105.07025	4.4
107.08599	8.4
109.06492	1.4
109.10162	66.4
111.08111	1.2
111.11691	1.1
116.98621	1.5
117.07021	1.2
119.08570	3.4
120.42431	0.9
121.06487	1.1
121.10171	8.6
122.07150	3.9
123.08086	2.4
123.11716	29.9
124.11241	13.6
125.09634	1.2
128.98628	1.2
129.77171	0.9
131.08562	3.3
133.10143	3.9
134.13025	0.9
135.08075	1.2
135.11696	6.0
137.09607	1.6
137.13290	6.6
143.08592	0.9
144.04814	1.0
145.10132	1.6
147.11690	3.4
149.09634	1.5
149.13268	3.0
150.12814	2.0
151.11215	1.9
151.14699	1.5
159.11671	3.4
161.13234	1.4
163.11162	2.2
163.14899	1.6
165.12730	1.3
168.13940	1.6
173.13220	4.5
177.12819	1.9
177.16321	1.1
181.12198	1.3
187.14793	2.0
195.13785	2.6
202.74858	0.9
207.56450	1.1
209.15424	2.3
223.16881	1.7
229.19499	1.5
241.11330	1.2
243.08998	1.2
247.20648	4.3
253.94949	1.0
265.03418	1.3
265.07761	2.3
265.21686	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00145	1.1
50.00365	1.3
53.03939	3.2
55.01855	1.7
55.05515	57.9
56.16407	1.1
56.96557	2.1
57.03430	3.5
57.06820	1.7
57.07076	27.5
67.05507	59.7
69.07070	77.6
69.83308	5.0
71.04982	3.8
71.08636	14.2
79.05056	2.1
79.05498	34.0
81.03393	1.8
81.07059	70.7
83.04967	3.7
83.08625	61.6
85.06532	6.6
85.10190	7.7
91.05489	5.9
93.07047	41.8
94.16096	1.2
95.04966	2.4
95.08610	68.9
97.06535	19.4
97.10172	36.7
99.08096	4.1
105.07035	3.0
105.37772	1.2
107.08600	24.8
109.06541	2.4
109.09451	2.0
109.10162	33.9
111.08090	12.8
111.11724	11.4
119.08578	2.6
121.10146	53.7
122.07135	5.0
123.11706	12.7
125.05946	2.2
125.09618	3.8
125.13273	1.4
131.08612	1.5
133.10092	1.4
135.11702	42.2
137.13263	4.8
139.11180	3.0
143.14282	1.3
144.04755	1.9
145.10126	1.9
149.13271	18.6
151.14784	5.9
153.52997	1.2
163.14850	7.6
164.04207	1.1
165.16412	6.6
169.16006	1.3
177.16393	3.8
179.17798	1.7
191.17941	2.6
205.19458	1.5
247.24225	44.1
265.07526	1.5
265.19662	2.4
265.25278	100.0
285.77423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03937	2.4
55.05515	57.2
57.03426	3.4
57.07080	22.9
64.69016	0.8
65.03936	1.5
67.05508	60.1
69.03391	0.9
69.07073	78.9
71.04996	4.9
71.08641	12.1
79.05498	32.3
81.07063	65.7
83.04963	2.6
83.08626	57.1
85.06538	3.3
85.10188	6.3
91.05494	5.7
93.07052	41.0
93.07599	0.6
95.04975	2.1
95.08612	68.4
96.08946	1.1
97.06542	18.7
97.10178	41.8
99.08083	3.0
105.07051	1.8
107.08603	25.3
109.10162	32.9
109.36406	0.8
111.08078	12.4
111.11729	14.5
113.09658	2.2
119.08577	0.9
121.10152	54.3
122.07121	1.4
123.08076	0.7
123.11712	12.1
125.09624	3.2
125.13267	3.3
127.11209	1.1
129.12706	0.9
135.11700	44.7
137.13266	5.6
139.11186	3.2
141.12701	1.0
143.14308	1.4
145.10097	1.3
146.56047	0.8
147.08052	0.8
149.13266	18.2
151.14827	5.9
153.07149	0.7
153.12721	1.4
161.11932	0.7
163.14827	7.7
165.16415	6.1
169.15874	1.4
177.16388	2.7
191.17966	3.1
205.19576	2.0
247.24234	43.6
265.25284	100.0
266.25854	1.1
268.43701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	19.9
66.31663	0.4
67.05501	2.9
69.03429	0.9
69.07056	0.6
71.60846	0.4
71.61198	0.5
71.95255	1.8
79.05504	0.9
81.07061	2.2
82.07395	1.1
83.04956	0.7
84.99671	0.9
86.03797	0.4
91.05495	0.7
93.07045	1.0
95.08611	1.5
96.08931	0.8
98.01283	0.6
98.97596	2.5
103.00722	4.3
107.08560	0.8
109.10159	1.2
110.10480	1.1
110.97595	0.6
115.00711	2.2
116.98631	1.2
119.01756	0.8
120.02578	1.5
121.01759	1.3
127.00645	1.1
128.98628	0.4
129.02299	0.8
129.03136	1.9
133.01775	1.1
137.02763	0.8
141.02225	1.0
143.03760	0.6
147.03282	0.9
149.04982	0.6
153.02208	1.1
155.03804	3.7
161.04727	0.4
169.01822	0.6
169.05345	1.1
171.03337	1.4
173.04869	5.4
181.05396	1.0
183.07068	0.7
185.04800	0.5
187.06483	0.8
189.08095	0.8
191.05922	1.6
195.06932	0.5
196.06473	0.6
197.08492	3.0
199.06375	2.4
199.10094	0.8
201.08009	1.4
213.08031	3.6
215.09612	3.2
217.07497	1.2
217.11118	1.2
225.07980	10.5
231.09088	2.3
239.04396	0.4
243.09068	100.0
244.09421	1.0
257.10593	0.8
261.10129	42.6
266.08484	0.4
266.10645	10.3
266.23364	2.3
284.11664	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	266.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.96572	19.7
57.07066	0.5
67.05517	2.6
71.43791	0.9
71.95261	1.9
72.96044	1.2
74.97626	0.5
79.05526	1.1
81.07076	2.1
83.08617	0.4
84.99664	1.2
91.05474	0.9
93.07030	0.6
94.36432	0.4
95.08605	1.8
96.08968	1.2
98.01259	0.5
98.97604	1.5
102.47889	0.4
103.00701	3.5
105.07038	0.7
107.01828	0.7
107.08593	1.4
109.10152	1.2
110.10485	0.6
112.99147	0.4
115.00702	2.1
116.98644	1.0
119.01765	1.0
121.01746	1.3
124.12051	0.6
127.00716	1.0
128.98608	0.6
129.02220	1.2
133.01738	0.8
137.02744	1.1
137.13231	0.4
138.90875	0.5
141.02245	0.6
145.01677	0.5
147.03308	1.3
153.02315	0.8
155.03857	2.8
169.05386	1.2
171.03448	0.7
173.04877	4.9
181.05446	0.9
185.04782	1.0
187.06448	2.0
187.08038	0.5
189.07964	1.1
191.05949	1.2
195.06989	0.7
196.06267	0.5
197.08521	3.4
199.06412	2.5
199.10126	1.4
201.08057	0.6
203.06001	0.7
205.07504	0.7
207.09134	0.6
211.86847	0.5
213.07971	6.3
215.09538	2.1
217.07520	1.1
217.11154	1.0
219.09050	1.1
225.07948	9.0
231.09128	4.0
233.10573	0.6
243.09065	100.0
244.09412	1.2
257.10669	0.6
261.10132	45.1
266.10651	12.5
266.21985	0.9
278.82172	0.4
284.11722	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	266.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
54.43326	0.3
55.01876	0.7
55.05519	1.0
55.44037	0.3
56.05020	0.3
56.93134	0.3
56.96569	0.7
57.03446	0.9
58.06599	0.8
58.87928	0.3
63.02372	0.4
67.05501	0.8
69.03427	1.6
69.61934	1.1
69.62366	1.3
70.06591	1.6
72.08162	9.0
73.02928	0.4
78.04730	0.5
79.05510	0.5
81.03405	1.8
81.07050	0.8
84.04510	0.7
85.02905	1.8
87.00835	1.1
89.03918	5.9
90.09203	1.2
91.05492	1.8
93.07027	0.7
95.08643	0.3
97.02894	1.3
98.06055	0.4
98.97601	0.5
99.62923	0.3
103.05465	0.5
104.07074	0.5
105.01857	0.6
105.07069	0.5
106.04114	0.4
107.04967	0.5
107.08585	0.3
108.04498	2.5
109.02879	2.9
117.03387	21.9
118.03675	0.4
119.04910	0.5
119.08660	0.5
120.08148	0.9
121.02856	0.3
121.10138	0.4
122.03221	0.6
126.05511	1.1
127.03938	1.3
129.04500	0.4
133.10126	0.5
134.03644	1.7
135.04440	1.2
136.06238	0.5
137.09622	0.9
145.02853	57.0
149.05986	8.4
152.14362	0.6
162.03143	0.4
163.03923	0.5
167.03592	0.4
177.05479	100.0
178.05806	1.0
186.05605	0.6
204.17516	0.5
206.18996	0.7
248.13072	0.4
248.20039	0.9
266.08188	0.6
266.13852	1.3
266.21164	4.4
267.15848	0.4
273.05905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
59.05002	0.8
61.02927	1.3
71.04993	1.6
71.42380	0.2
71.48635	0.4
72.08160	3.2
79.05506	0.8
81.03431	0.7
81.07059	3.4
88.21432	0.2
88.59148	0.2
89.03918	2.0
90.09196	0.3
91.05473	0.4
92.05025	0.2
94.04053	1.7
98.97585	0.6
99.08118	0.4
100.34538	0.2
109.02902	1.2
114.08368	0.2
117.03389	6.8
119.03553	3.4
134.03650	0.6
135.04488	0.3
136.06195	100.0
137.04604	1.3
137.06590	0.4
145.02856	18.7
149.05971	2.6
154.02014	0.2
168.06609	0.3
175.03835	0.2
177.05479	33.0
178.05948	0.4
186.05441	0.4
208.07085	0.3
234.13510	19.4
235.13763	0.6
266.16122	46.1
267.16193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03966	3.7
55.01873	2.2
55.05517	7.1
57.03439	19.4
57.30704	0.7
59.37141	0.8
59.68316	0.8
67.05508	13.9
69.03436	1.9
69.07083	4.4
71.05013	1.7
74.31266	0.6
79.05495	11.6
81.03423	100.0
81.07064	12.0
83.04981	5.2
83.08627	14.6
85.06580	0.9
91.04998	0.6
91.05485	18.4
93.07056	8.0
95.04973	21.3
95.08615	4.6
97.02890	2.7
97.06526	1.7
97.10165	1.1
105.07034	13.7
107.04977	5.4
107.08591	3.8
109.06524	2.6
109.10169	2.2
111.04462	1.6
111.08085	6.3
115.05475	1.6
117.07040	1.1
119.08590	12.6
121.06487	1.4
121.10142	5.4
123.08080	1.8
125.09614	0.9
129.07011	7.4
131.08592	8.9
133.06532	2.0
133.10132	4.4
137.09584	1.5
142.07779	2.4
144.52812	0.7
145.10153	1.8
147.08066	2.3
147.11690	8.6
149.09660	3.9
149.10698	0.8
157.10172	8.3
165.12752	1.5
175.11197	7.7
180.64508	0.8
193.12245	17.3
193.14034	0.9
211.13281	2.3
219.13857	0.8
234.85580	0.7
249.14912	1.6
249.18253	0.8
267.15915	43.0
267.20456	1.6
288.28598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03940	3.7
55.01868	1.4
55.05518	7.6
57.03443	19.8
57.07070	2.8
64.46420	1.0
67.05515	13.5
69.03428	3.4
69.07048	4.5
70.63721	2.1
70.64077	2.6
71.04990	2.0
71.08636	2.1
79.05499	13.1
81.03425	100.0
81.07059	12.8
81.89045	1.0
83.04970	4.5
83.08624	16.8
85.10214	1.2
91.05486	18.8
93.07049	9.3
95.04361	1.1
95.04977	20.9
95.08611	8.7
97.02898	1.5
97.10177	2.1
98.98476	2.0
105.07039	14.3
107.04932	5.5
107.08598	3.3
109.06516	3.7
109.10143	2.7
111.08097	6.4
111.53085	1.0
112.97404	1.1
117.07031	1.5
119.08590	11.0
121.06514	1.9
121.10128	5.5
123.08084	1.5
123.11662	1.2
129.07007	7.2
131.08588	6.3
133.06508	2.5
133.10143	4.1
135.08086	1.1
137.09647	2.4
142.07788	3.1
145.10124	1.3
147.08040	2.4
147.11700	5.2
149.09607	3.2
157.10143	8.2
157.33904	1.1
175.11205	10.4
193.12268	18.4
194.97386	1.0
210.76613	1.1
211.13309	1.9
213.82959	1.0
225.57065	1.0
249.14922	1.3
267.15939	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	267.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
53.42130	1.6
53.90133	1.7
55.01869	8.2
55.05514	31.1
56.96556	4.1
57.03176	3.1
57.03439	39.9
65.03937	4.6
67.05508	77.3
69.03423	5.8
69.07076	23.9
71.04989	7.3
73.02918	2.6
79.05497	79.3
81.03416	40.5
81.07060	95.1
83.04984	50.8
83.08614	12.3
85.02901	2.5
85.06526	5.5
91.05486	100.0
93.07053	57.3
95.04972	30.9
95.08612	39.6
97.02898	4.7
97.06529	8.9
97.10154	3.0
98.97570	4.6
99.08080	6.3
101.05987	2.1
103.05489	2.6
105.07034	61.3
107.04957	19.1
107.08591	17.5
109.02883	2.3
109.06522	13.5
109.10158	8.5
111.08087	3.9
113.06007	2.1
115.05495	4.4
116.06309	1.8
116.98581	2.4
117.07019	6.3
119.07777	3.4
119.08587	45.3
121.06491	4.6
121.10167	14.4
123.08073	4.8
123.11707	6.0
125.09665	3.1
127.07554	4.0
128.06248	6.6
129.07010	25.7
131.04948	2.8
131.08586	27.9
133.06467	4.2
133.10132	47.1
135.11714	4.1
137.09564	3.0
138.36340	2.1
139.07599	2.2
141.07004	3.6
142.07806	6.1
143.08585	4.8
144.05702	4.9
145.06500	4.3
145.10091	8.6
147.08063	5.7
147.11694	33.3
149.09599	5.9
155.08585	4.3
157.06442	3.7
157.10133	31.7
159.08026	2.3
159.11752	4.3
161.06042	3.3
161.13295	2.1
163.11186	5.5
165.06985	2.9
165.12816	4.6
167.07068	4.9
167.10765	3.3
169.10127	6.2
170.99557	1.8
171.07994	4.0
171.11781	3.2
173.05936	3.5
173.13271	3.5
175.11185	16.2
183.11758	2.2
185.13298	3.0
187.07529	11.8
187.57356	1.8
191.06944	2.4
193.12219	10.7
197.13303	3.4
207.06516	3.7
211.14819	7.1
213.16324	2.0
223.04181	2.5
224.16414	5.1
225.16501	3.0
235.09752	2.2
249.11241	2.7
249.18536	2.5
258.47171	1.8
267.06583	3.7
267.09616	5.1
267.15906	41.4
267.21005	25.7
285.10065	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	267.2067
Annotation	(-)-Pohakuline
Peak:m/z	Relative Intensity
53.03917	0.4
55.05295	0.5
55.05513	4.9
57.03431	1.6
58.06340	0.4
58.06605	4.8
61.06647	0.4
67.05515	3.2
68.05019	1.0
69.03427	0.5
69.07070	2.0
69.94643	2.1
70.06602	0.5
71.04984	0.7
79.05508	2.4
80.05028	5.9
81.03424	5.9
81.07055	5.1
82.06587	20.8
83.04964	0.9
83.08625	2.8
85.06528	0.5
91.05482	2.5
93.07047	2.6
94.06567	4.3
95.04950	1.3
95.07352	1.7
95.08614	3.3
96.08126	3.6
97.08908	1.5
97.10181	0.5
98.09721	0.9
103.75543	0.4
105.07020	1.8
106.06554	0.5
107.07332	0.5
107.08566	1.0
108.08126	14.1
109.06512	0.9
109.08866	0.5
109.10104	0.6
110.06001	0.7
110.09663	1.7
117.07014	0.4
119.08583	1.4
120.08110	10.2
121.08832	0.4
121.10180	0.9
122.09668	1.7
123.08100	0.5
123.10416	0.7
129.06970	0.9
131.08583	0.9
133.10126	1.5
134.09698	0.8
135.11668	0.7
145.10106	0.6
147.11696	0.8
157.10094	1.0
169.10039	0.5
171.11656	0.4
175.11151	1.0
187.07591	0.5
188.14421	0.5
192.13828	1.1
193.12250	0.9
199.38403	0.4
204.13855	1.0
204.17453	0.5
206.15446	3.1
210.14894	1.6
211.14957	0.5
223.04100	0.6
223.70195	0.4
224.16464	100.0
225.16748	0.7
231.18608	0.4
232.16965	7.1
249.19653	5.1
250.18040	12.5
267.15970	2.4
267.20700	65.0
268.21002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01860	0.4
56.96556	0.7
57.03425	0.7
61.02928	0.3
64.36562	0.2
69.03424	0.8
69.07077	0.2
70.06601	0.5
70.71416	0.4
71.01382	0.2
73.02937	0.3
75.53679	0.2
84.08142	0.2
85.02915	1.2
94.04073	0.4
97.02894	0.7
98.97581	0.7
103.03972	0.2
109.02885	0.3
110.07186	0.4
115.03951	0.2
119.03537	1.1
120.08100	0.7
121.08470	1.1
125.03131	0.2
127.03912	0.3
130.08653	0.2
136.06200	100.0
137.04582	0.5
137.06660	0.4
151.05859	0.3
156.03323	0.2
186.04453	0.2
210.99335	0.3
227.02180	0.2
229.00241	0.7
253.00191	0.6
268.10403	4.6
271.01285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Desoxyguanosine
Peak:m/z	Relative Intensity
53.03950	1.1
54.17304	0.9
54.67977	1.0
55.05503	1.3
56.96565	5.4
57.03428	1.2
58.06627	1.2
60.04529	1.5
61.02922	2.3
67.05502	1.6
69.03429	4.5
69.07085	1.1
69.98666	0.9
70.06591	5.3
70.25138	3.1
71.04981	1.7
72.08149	1.7
73.02913	3.2
74.09699	1.2
75.04534	1.0
80.05023	1.4
81.03416	2.5
82.13734	1.1
84.04496	1.9
84.08148	4.7
85.02911	7.7
85.08450	1.3
86.06071	1.2
86.09720	1.4
87.04462	1.6
91.05505	1.6
94.06568	4.6
95.04971	1.1
95.06906	3.9
97.02884	3.4
97.07623	1.0
98.97572	3.9
99.04439	2.8
101.00916	2.0
104.30915	1.1
106.04956	1.1
106.06559	1.7
107.06906	2.0
109.02866	1.6
110.03542	3.0
110.07139	6.3
116.98613	3.0
117.05495	1.4
119.01931	2.9
120.08084	2.2
121.08464	1.8
122.06045	2.4
123.05569	1.2
123.06398	2.3
124.03948	3.3
127.03912	2.3
133.03529	1.1
135.03035	4.0
136.06203	29.7
137.06015	1.2
145.03493	2.2
147.51311	1.1
150.05515	29.2
151.05876	43.5
152.05684	100.0
153.04077	6.6
157.03523	1.8
158.06674	1.3
161.02966	1.6
163.03958	2.1
163.12323	3.1
167.07030	1.1
173.03015	1.3
176.07788	1.2
185.02953	2.8
186.04379	1.3
188.07776	1.9
188.73871	1.2
190.05586	3.0
197.02902	1.1
203.04085	2.2
204.00890	1.2
218.08768	2.7
222.12236	1.1
226.05698	1.5
227.03989	2.1
229.00217	2.0
244.06664	6.3
245.05118	4.2
263.02771	3.2
263.06052	1.0
268.07611	2.0
268.10382	4.5
271.01251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91340	3.9
70.01176	9.1
70.01569	7.2
79.10253	3.7
94.92991	9.7
97.91301	3.8
112.89590	18.2
134.96153	5.8
136.94092	7.6
150.91978	18.9
178.95108	6.6
188.93498	7.2
214.41156	4.6
250.93549	29.2
268.94644	25.0
268.98233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1287
Annotation	lysergate
Peak:m/z	Relative Intensity
55.01867	1.1
55.05513	6.2
56.96572	0.9
57.03435	5.0
59.31684	0.6
59.37076	0.6
65.03949	0.8
67.05161	1.0
67.05508	15.9
69.03428	1.5
69.07076	6.0
70.93601	1.6
71.04980	2.4
75.68787	0.5
79.05502	8.6
81.03427	0.9
81.07057	21.1
83.04986	2.5
83.08624	4.3
84.08130	0.7
85.06529	2.5
91.05486	9.1
92.38719	0.6
93.07052	13.3
95.04972	2.8
95.08610	7.5
97.02954	0.6
97.06524	3.4
97.10184	0.9
98.20834	0.7
98.97566	1.4
99.08086	1.3
101.06028	0.6
105.07037	4.8
107.08591	7.7
109.06537	1.4
109.10166	3.8
111.08076	2.2
113.06011	0.7
115.05499	0.8
115.73869	0.5
116.98630	0.6
117.07030	2.6
119.08598	3.1
121.06528	0.6
121.10164	4.4
123.08070	0.9
123.11716	1.0
125.09633	1.2
128.06270	1.0
129.07027	3.0
131.08565	4.2
132.99530	0.6
133.10107	4.0
135.08086	1.3
135.11729	3.2
137.06046	0.5
137.09550	0.6
139.07521	0.6
139.11098	0.6
141.07008	0.7
142.07800	0.6
143.08577	1.9
145.10127	1.6
147.04478	0.6
147.11685	1.2
149.13264	6.6
156.08209	0.6
157.10149	2.9
159.11707	5.0
161.13298	0.8
165.06963	0.8
167.07320	6.0
167.08522	1.0
168.08063	2.9
169.08858	1.0
169.10170	0.8
171.11642	1.7
177.12756	3.0
179.08556	2.3
180.08069	2.3
181.06537	1.0
181.08849	4.1
181.67653	0.6
182.05936	1.1
183.06784	4.5
184.07637	1.0
184.11226	2.5
185.13277	1.0
194.09738	0.8
195.06755	5.2
195.13777	1.8
196.07585	3.4
196.11217	4.8
197.08366	1.4
199.14943	1.4
200.81818	0.5
208.07397	0.8
209.08356	6.7
212.10713	23.5
213.05476	0.7
213.07784	0.9
222.07762	0.8
224.10712	64.7
227.17834	0.6
236.09479	1.9
240.10240	9.0
241.08664	1.1
250.11128	1.0
251.11806	42.6
252.10196	100.0
253.10606	1.2
269.04538	1.3
269.08160	2.5
269.12894	35.1
269.17334	9.1
269.22586	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03938	5.1
55.01862	5.7
55.05519	23.9
56.07359	1.6
56.96552	1.6
57.03442	25.7
57.07077	2.9
65.03935	3.0
65.17529	1.6
67.05507	81.4
69.03425	1.8
69.07072	24.3
69.26359	4.0
69.26779	11.9
71.04980	6.3
73.02908	1.9
79.05053	2.5
79.05497	51.2
81.07060	100.0
83.04990	9.4
83.08613	17.9
84.04504	1.7
85.06540	5.6
91.04945	2.9
91.05479	32.8
93.07049	71.8
95.04962	8.0
95.08602	25.5
97.06538	15.3
97.10184	4.4
98.21600	1.4
98.97571	2.8
99.04455	3.0
99.08084	4.3
104.89657	1.5
105.07030	13.7
107.08597	36.3
109.06528	2.1
109.10194	7.3
111.08095	8.2
117.07014	16.0
119.08543	5.5
121.06512	1.8
121.10146	17.1
123.08053	2.1
123.11716	5.1
125.09652	1.7
131.08578	14.2
133.10135	21.4
135.08087	3.8
135.11713	14.2
147.11688	2.8
149.09579	2.4
149.13268	35.7
151.11229	2.5
157.10197	3.7
159.11691	26.6
161.13307	2.1
173.13272	2.5
177.12740	15.3
179.14339	2.1
195.13763	14.3
207.06551	2.0
213.14891	1.7
237.07658	1.7
251.12540	8.6
251.16463	1.9
257.69409	1.7
269.04733	2.0
269.08060	2.5
269.13580	38.4
269.17474	63.3
269.22629	3.3
270.05136	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	4.6
55.01868	5.1
55.05516	21.9
57.03183	3.2
57.03438	39.2
57.07066	6.1
57.31455	1.9
63.46196	1.9
66.16788	2.1
67.05508	87.0
67.32252	1.9
69.07072	39.2
70.33627	1.9
71.04974	7.0
71.08610	2.3
71.47128	2.2
79.05496	47.9
81.03379	2.7
81.07061	100.0
83.05001	12.3
83.08627	23.6
85.06537	8.9
91.05488	20.8
93.06459	3.9
93.07043	77.9
95.04970	5.0
95.08611	30.9
97.06552	18.5
97.10197	2.5
98.63136	2.4
99.08073	3.3
101.49517	2.1
104.99290	6.3
105.07013	11.2
107.04947	2.8
107.08591	47.7
109.06550	4.5
109.10162	6.4
111.08074	10.3
117.07011	10.8
119.08547	4.0
121.10146	30.7
123.11680	4.0
124.08907	2.2
131.08601	12.6
133.10126	7.7
135.11679	12.1
139.11157	3.0
145.10072	3.2
149.13263	58.3
151.11066	2.8
157.10196	2.7
159.11693	23.4
177.12772	10.8
190.99580	2.3
195.13806	12.3
229.12550	3.6
241.56799	2.4
269.17426	41.7
269.22604	6.9
270.27783	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	4.0
55.01867	3.8
55.05518	24.2
56.96560	1.1
57.03444	32.9
57.07064	4.1
60.76931	0.9
65.03939	1.7
67.05513	77.3
68.05830	1.3
69.03411	1.5
69.07072	33.7
71.05003	5.8
71.08635	1.1
71.10655	1.9
79.05500	48.6
81.03407	1.7
81.07063	100.0
82.07402	1.2
83.04991	12.0
83.08627	23.1
83.70789	0.9
85.06565	6.2
91.05491	27.0
93.07053	78.4
95.04989	6.9
95.08615	28.8
97.06544	14.2
97.10153	3.1
98.97596	2.6
99.08093	3.6
103.06158	1.0
105.07032	15.1
107.08606	41.0
109.06512	3.3
109.10179	9.4
111.08099	10.4
111.11674	1.1
113.09689	1.3
116.98592	1.1
117.07022	10.4
119.08593	7.2
121.06496	2.5
121.10153	24.7
123.08054	1.3
123.11695	4.4
124.97571	0.9
125.09663	1.1
127.07559	1.3
129.06987	1.7
131.08578	12.5
133.10136	13.3
135.08051	2.0
135.11699	12.6
137.09647	1.0
139.11189	3.2
141.06992	1.2
142.07698	2.0
143.08540	3.3
145.10150	5.4
147.11658	5.2
149.09653	1.8
149.13272	46.0
151.11118	1.3
152.10718	2.1
157.10133	6.4
159.11716	26.5
161.13274	2.6
167.14333	1.3
171.11693	3.4
173.09875	1.0
173.13254	3.4
175.14830	1.2
177.12772	11.9
180.05646	1.2
183.11751	1.4
185.13304	3.1
187.14865	2.2
195.13823	12.1
199.14876	3.7
211.15009	1.2
212.10748	1.7
213.16411	4.4
224.10680	3.3
227.17990	1.8
251.11871	2.4
252.10318	5.8
252.31119	1.2
269.08139	3.4
269.12958	2.2
269.15210	2.0
269.17511	44.7
269.22562	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.3
52.14502	1.1
53.03941	5.1
54.32604	1.0
55.01865	3.5
55.05516	22.7
57.03441	34.0
57.07066	4.1
65.03950	1.9
67.05509	76.4
69.07074	29.7
71.04996	6.0
71.33784	2.6
73.33218	1.1
79.05499	50.1
81.03412	3.0
81.07062	100.0
83.04985	8.8
83.08627	20.3
85.06540	5.0
91.04951	1.9
91.05482	23.7
91.05994	1.9
91.77715	1.2
93.07052	72.2
95.04951	6.1
95.08611	26.0
95.79436	1.2
97.06528	15.7
97.10171	1.4
99.08088	4.0
105.04500	1.3
105.07034	9.3
107.08603	35.2
109.06506	2.8
109.10156	5.4
111.08072	8.6
111.11700	1.7
113.09699	1.8
117.07027	9.8
119.08584	4.3
121.06522	1.7
121.10154	24.8
123.11753	3.5
131.08586	11.0
133.10141	8.6
135.08066	2.4
135.11703	10.0
139.11188	1.6
143.01460	1.2
143.08580	1.2
145.10197	1.4
147.11668	2.3
149.09547	1.3
149.13269	53.1
151.11153	1.8
155.88208	1.1
156.09332	1.6
157.10158	2.2
159.11719	22.3
161.13251	1.2
167.14311	1.6
171.11674	1.8
177.12740	8.3
178.08318	1.3
195.13795	11.3
215.97412	1.3
230.80670	1.3
253.98051	1.1
269.17499	38.0
269.22336	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	3.3
55.01862	5.2
55.05512	18.3
56.96555	3.1
57.03185	1.7
57.03441	31.4
57.07065	6.2
65.03943	2.3
67.05508	79.3
69.07074	27.8
69.91960	6.2
71.04995	6.8
77.03897	1.4
79.05500	49.0
81.03418	2.4
81.07063	100.0
83.04596	1.1
83.04999	10.1
83.08620	17.7
85.06535	6.0
90.91046	1.4
91.04954	1.9
91.05482	24.2
93.07050	70.6
95.04977	8.1
95.08054	1.5
95.08623	29.5
97.06532	21.3
97.10172	2.3
98.97573	2.2
99.08099	6.5
105.04517	1.3
105.07043	11.2
107.08604	33.5
109.06497	3.3
109.10159	4.5
111.08089	8.9
113.09640	1.6
117.07012	13.7
119.08549	4.8
121.06483	2.7
121.10150	21.1
123.11707	4.0
131.08585	14.2
133.10149	16.0
135.08054	2.2
135.11728	12.1
137.05930	2.5
139.11172	2.3
145.10164	1.4
147.11690	1.7
149.13268	41.0
151.11176	2.4
157.10072	3.6
159.11710	27.7
161.13287	2.7
169.35210	1.2
171.11702	1.6
173.13298	2.0
177.12747	13.4
195.13823	18.3
269.17468	59.7
269.22510	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03934	5.5
55.01861	1.8
55.05512	21.8
55.23744	1.4
57.03437	24.5
57.07060	2.1
65.03945	2.8
67.05507	71.2
69.07064	22.6
70.87624	3.1
71.04992	8.5
73.02914	1.6
76.32954	1.2
79.05045	2.6
79.05495	43.3
79.05952	2.5
81.03430	2.1
81.07059	100.0
83.04970	6.1
83.08622	19.3
84.18631	1.3
85.06537	6.0
91.05479	38.2
93.07046	67.3
95.04958	5.7
95.08044	1.7
95.08611	23.4
97.06534	17.0
97.10174	2.4
99.08089	4.8
103.49543	1.4
105.07036	11.2
107.04942	1.8
107.08596	29.3
109.06528	3.4
109.10165	4.9
111.08077	10.9
117.07009	11.4
119.04942	8.5
119.08593	3.1
121.10146	12.6
123.11685	5.8
131.08574	13.7
133.10133	14.4
135.08051	1.4
135.11696	15.2
147.04454	8.5
149.09625	1.8
149.13269	31.4
151.11247	1.8
159.11691	22.9
175.03871	13.2
177.12785	14.9
179.14258	2.6
193.30707	1.3
195.13817	14.1
207.06549	23.4
213.14859	2.1
269.17508	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03945	2.5
55.01861	3.4
55.05262	1.2
55.05515	21.0
56.96549	1.4
57.03443	35.7
57.07078	5.4
62.69944	1.1
65.03938	2.5
67.05509	79.0
68.70626	1.1
69.06711	2.2
69.07072	35.1
70.70912	3.8
71.05000	10.4
71.08649	1.3
79.05495	47.6
81.03420	2.7
81.07062	100.0
83.04995	11.3
83.08630	16.3
85.06560	6.1
91.05483	27.6
93.07050	79.1
95.04990	8.2
95.08035	2.1
95.08611	31.5
97.06536	17.3
97.10183	3.6
98.97582	2.0
99.04478	1.5
99.08106	5.1
103.98874	1.1
105.04556	1.4
105.07040	12.4
107.08598	44.0
109.06535	3.4
109.10149	7.6
110.57307	1.1
111.08092	10.8
113.09644	1.7
113.16917	1.0
115.05444	1.2
117.07047	9.2
118.20096	1.2
119.06088	1.3
119.08596	6.3
121.06493	1.6
121.10152	27.1
123.08104	1.6
123.11714	5.0
129.06987	2.0
131.08583	13.2
133.10147	12.6
135.08049	3.2
135.11705	13.9
139.11182	3.0
142.07787	1.5
143.08562	3.1
145.10158	4.4
147.11740	4.4
149.09686	2.6
149.13271	52.6
151.11232	1.4
155.10612	1.3
157.10168	4.1
159.11700	25.6
161.13374	2.2
168.06410	1.5
171.11731	3.3
173.13255	1.5
177.12793	9.4
185.13298	2.9
187.14832	1.9
195.13806	13.9
199.14841	3.1
210.21037	1.1
211.10764	1.9
212.10703	2.1
213.16408	3.7
215.17863	1.5
224.10718	4.3
227.17981	1.7
238.09673	1.1
251.12079	4.6
251.14706	3.3
251.20079	2.1
252.10207	9.2
269.07880	5.1
269.13342	5.5
269.17523	35.8
269.22540	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02377	0.7
53.03949	2.6
54.66224	0.6
55.01868	2.0
55.05515	19.8
56.75816	0.6
56.96561	0.5
57.03440	38.4
57.07082	4.8
58.44654	0.6
59.04993	0.9
65.03942	2.2
67.05508	77.3
67.37541	0.6
69.03432	1.1
69.07072	32.1
69.46888	1.4
69.47292	4.0
71.01340	0.9
71.04990	5.8
71.08635	0.7
73.02908	0.9
77.03884	0.6
79.05499	48.5
81.03422	2.1
81.07060	100.0
82.07391	0.7
83.04983	10.8
83.08629	19.8
85.02886	0.7
85.06548	5.8
91.05485	24.2
93.07050	71.0
95.04985	5.4
95.08613	27.7
95.09228	1.0
97.06541	15.3
97.10181	1.9
98.97586	1.5
99.08090	4.5
105.04501	1.5
105.07034	12.1
107.04974	0.9
107.08601	38.0
109.05852	0.6
109.06522	3.2
109.10162	6.6
111.08082	9.7
111.11731	1.1
113.06013	0.8
113.09666	1.2
115.05450	0.8
117.07027	9.7
117.90040	0.7
119.08588	6.1
121.06535	1.0
121.10148	24.3
123.08067	0.6
123.11703	3.6
125.09647	0.9
127.07563	0.8
129.07042	1.5
131.08592	11.9
133.10136	10.3
135.08032	2.4
135.11702	10.3
137.94698	0.6
139.11191	2.9
142.07768	0.9
143.08591	2.1
144.09311	0.8
145.10146	2.7
147.11697	3.1
149.09650	1.1
149.13263	49.3
151.11208	1.5
157.10182	3.3
159.11705	22.1
160.07616	1.2
161.13264	2.5
165.12793	0.7
167.14365	1.5
171.11716	2.1
173.13271	2.1
175.14847	1.4
177.12755	9.6
177.14211	0.8
184.84978	0.6
185.13237	1.8
187.14847	1.3
195.13823	12.2
195.15482	1.1
199.14879	2.1
201.16435	0.6
212.10825	1.0
213.16550	2.8
224.10771	1.6
227.17986	0.9
251.11920	0.7
252.10167	2.3
269.08185	0.7
269.13144	1.5
269.17493	40.4
269.22498	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	4.5
55.01859	4.5
55.05256	1.6
55.05516	23.6
57.03440	35.2
57.07061	3.9
60.10234	1.2
64.01011	1.1
65.03935	3.0
67.05509	81.6
69.06724	2.0
69.07075	31.5
70.83423	2.2
71.04999	6.5
72.89893	1.0
78.77522	0.9
79.05499	51.2
81.03430	2.4
81.07062	100.0
83.04993	10.2
83.08627	17.0
85.06541	7.4
91.04953	1.9
91.05490	27.3
93.07052	71.0
95.04966	6.1
95.08611	27.4
97.06540	17.0
97.10172	2.4
99.03173	1.1
99.08087	4.9
105.04474	2.0
105.07029	13.4
107.08605	40.3
109.06506	2.5
109.10160	6.7
111.08098	8.4
111.11713	1.4
117.07032	11.7
119.08590	6.0
121.02881	1.8
121.06548	1.9
121.10151	24.5
123.11707	3.6
125.09621	1.4
128.55856	1.3
129.07016	1.9
131.08563	13.8
133.10136	11.7
135.08041	2.0
135.11700	13.1
139.11201	2.7
143.08563	1.9
145.10153	2.1
147.11671	4.2
149.13266	52.7
151.11176	1.5
151.67610	1.2
157.10129	4.5
159.11700	24.3
161.13304	2.0
167.14330	1.2
170.79015	1.0
171.11662	1.3
173.13263	2.8
177.12755	11.1
185.13144	1.6
187.14757	1.6
190.72459	1.2
195.13802	14.0
199.14806	2.8
213.14543	1.1
213.16409	2.2
224.10733	1.6
227.18005	1.6
252.10193	2.9
269.12018	1.5
269.17493	43.2
269.22519	17.1
290.90903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02358	1.1
53.03954	5.5
55.01858	4.6
55.05262	1.3
55.05512	20.6
56.33858	1.1
56.96569	1.2
57.03440	28.4
57.07063	2.7
65.03948	2.0
67.05508	72.8
69.03440	1.1
69.06727	1.7
69.07072	26.1
69.89013	2.3
69.89413	2.5
71.04990	6.1
71.08590	1.2
76.55507	0.9
78.96301	0.9
79.05498	47.8
81.03419	1.6
81.07062	100.0
83.04983	10.4
83.08622	17.8
85.06534	4.9
91.05483	27.0
93.07052	71.9
95.04990	6.2
95.08614	23.7
97.06532	12.6
97.10126	1.4
99.05036	1.0
99.08094	2.3
105.04474	1.8
105.07034	10.0
107.08601	35.3
109.06519	3.9
109.10167	5.1
111.08077	9.4
113.48268	1.0
113.89906	1.0
117.07019	10.6
119.08571	3.7
121.06535	1.7
121.10152	18.4
123.11689	3.7
131.08604	10.5
133.10123	13.2
135.08043	2.1
135.11691	12.7
139.11224	1.2
145.10172	1.1
147.11568	1.1
149.09668	1.3
149.13271	42.3
151.11185	1.6
159.11697	20.6
161.13332	2.0
171.11690	1.0
177.12732	10.8
195.13795	12.7
213.14920	2.0
269.12918	2.0
269.17477	51.3
269.22568	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	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03939	3.4
55.01863	2.6
55.05515	20.9
56.15152	1.3
56.96563	1.2
57.03442	34.3
57.07059	3.8
65.03922	2.8
67.05511	72.0
69.03448	1.2
69.06716	2.0
69.07074	31.5
69.74835	7.2
71.05016	6.5
71.08605	1.3
79.05499	49.4
79.09149	1.2
80.01546	1.0
81.03410	2.0
81.07062	100.0
83.04987	10.0
83.08627	19.4
85.06549	5.3
91.04959	1.6
91.05488	24.3
93.07051	71.3
95.04972	8.7
95.08612	25.5
97.06532	15.7
97.10153	1.8
99.08096	3.7
104.99277	1.2
105.07037	12.4
107.08604	33.6
109.06531	3.6
109.10137	4.4
111.08083	8.1
113.09648	1.6
114.40581	1.1
115.05443	1.1
117.07037	10.0
119.08570	3.9
121.06529	1.9
121.10159	22.6
123.08074	1.4
123.11700	4.0
125.09652	1.2
129.06999	1.6
131.08571	11.9
133.10149	11.8
135.08044	2.0
135.11707	12.5
139.11293	1.7
143.08571	1.4
145.10156	1.7
147.11644	3.2
149.09628	2.2
149.13274	44.2
155.52855	1.1
157.10162	2.1
159.10420	1.8
159.11708	23.9
161.13293	1.4
163.74995	1.1
177.12749	10.8
183.11792	1.4
195.13811	14.5
245.28375	1.1
269.17462	52.8
269.22604	5.0
276.33023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.17532	1.4
51.43729	1.5
53.03935	4.1
55.01877	2.8
55.05515	23.5
57.03175	2.8
57.03439	34.9
57.07065	4.0
65.03947	1.8
67.05511	79.6
67.71557	1.4
68.64095	1.6
69.03443	1.6
69.07074	33.7
69.92953	6.6
71.04980	4.8
79.05496	52.4
79.05952	3.1
81.07061	100.0
83.04988	11.0
83.08622	19.8
85.06538	6.0
91.05484	30.9
93.07053	66.5
95.04961	6.3
95.08607	27.0
97.06526	15.6
97.10194	3.8
99.08097	3.1
105.07027	12.6
107.05006	1.5
107.08601	37.3
109.06512	2.3
109.10182	4.3
111.08103	7.4
117.07046	10.1
119.01927	1.6
119.08576	5.5
121.06570	1.7
121.10163	18.7
123.11709	4.0
125.09620	1.4
125.57161	1.6
131.08566	15.8
133.03424	1.9
133.10135	14.5
135.08060	2.9
135.11676	12.9
139.11145	1.8
149.13252	36.5
151.11208	4.0
155.34656	1.3
157.10172	2.3
159.11705	21.9
161.02966	2.3
167.14267	1.8
173.13235	1.5
177.12772	9.0
189.61287	3.6
195.13803	12.2
213.40187	1.4
268.76376	1.7
269.14813	3.1
269.17459	43.9
269.20117	2.5
269.22531	3.6
277.21423	2.4
277.91327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11787	1.0
53.03936	3.0
54.32914	0.9
55.01863	3.1
55.05514	22.3
56.96569	1.5
57.03438	31.5
57.07065	3.5
65.03925	2.0
67.05507	85.2
69.07069	29.1
71.04995	7.8
71.08599	1.8
71.20476	2.5
72.82100	1.1
76.18489	1.0
79.05495	53.0
81.03397	3.0
81.07059	100.0
82.38554	1.0
83.04982	11.1
83.08624	19.8
85.06541	5.7
87.70662	0.9
91.04970	1.8
91.05484	28.7
93.07048	76.2
95.04979	7.6
95.08043	1.9
95.08612	27.8
97.06535	15.1
97.10114	1.4
97.89626	1.1
99.04433	1.3
99.08125	5.2
103.45300	1.1
105.04536	2.1
105.07035	12.8
107.08596	40.3
109.06521	3.7
109.10152	6.7
111.08084	10.4
117.07036	16.9
119.08559	3.4
121.06468	3.6
121.10147	18.8
123.08086	1.5
123.11695	4.2
129.06998	1.8
131.08569	15.0
133.10141	18.1
135.08040	2.3
135.11687	11.9
143.08513	1.2
145.10027	1.3
147.11655	1.3
149.09598	2.7
149.13258	39.4
151.11194	2.2
152.92775	1.2
157.61310	0.9
159.11696	26.1
161.13257	1.8
167.14352	1.2
177.09099	1.3
177.12727	14.0
179.14177	1.3
195.13794	17.3
213.14827	1.7
254.10365	1.9
269.17456	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03939	3.7
55.01867	1.8
55.05265	1.1
55.05517	20.0
57.03439	28.6
57.07057	4.1
61.87865	0.9
62.06726	1.0
65.03918	2.5
65.45551	1.1
67.05508	75.6
69.06718	1.6
69.07072	26.3
69.07439	1.8
71.05003	6.2
71.29408	1.6
77.03911	1.8
78.04446	1.1
79.05496	47.3
81.03438	2.2
81.07062	100.0
83.04995	7.5
83.08620	19.5
85.06542	6.2
91.05480	26.2
93.07051	70.9
95.04970	6.5
95.08053	1.6
95.08617	28.3
97.06538	18.4
97.10160	1.9
99.08089	5.8
105.07045	11.1
107.08603	28.8
109.06489	2.1
109.10168	6.4
111.08089	11.1
113.06049	1.5
113.09662	1.9
113.95525	1.4
117.07026	12.8
119.08578	3.8
121.06461	2.1
121.10143	15.9
123.08040	1.1
123.11699	3.6
124.91349	1.0
131.08562	11.5
133.10139	13.7
135.08078	2.1
135.11714	12.7
147.11693	1.4
149.13252	38.3
151.11185	2.2
159.11705	24.4
161.13312	2.0
177.12741	11.8
179.14317	2.4
195.13832	10.7
213.14682	1.3
269.17471	50.8
269.22095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.98119	0.7
53.03930	3.9
55.01858	3.2
55.05513	22.1
56.96548	1.1
57.03441	29.8
57.07084	4.7
59.80481	0.8
65.03941	2.0
67.05510	73.1
69.03413	1.6
69.07072	29.2
71.01353	0.9
71.05003	6.3
71.08631	1.2
71.32996	1.4
73.02893	1.4
77.03941	0.8
79.05500	47.7
81.03397	2.5
81.07062	100.0
83.04991	9.9
83.08134	1.0
83.08626	17.7
85.06548	4.8
91.05486	27.1
93.07050	72.3
95.04977	6.3
95.08048	1.7
95.08610	25.1
97.05997	1.1
97.06544	15.9
97.10159	2.4
97.65971	0.9
99.08077	3.8
105.07035	14.0
107.08598	36.0
109.06487	3.8
109.10152	6.0
111.08096	9.0
113.05993	0.8
115.05437	1.0
117.07029	12.4
119.08581	6.5
121.06515	2.2
121.10153	19.6
123.08082	1.2
123.11730	4.7
125.09641	1.2
128.06207	1.0
129.06917	1.1
131.08586	13.1
133.10153	17.3
133.11113	0.7
135.08023	2.4
135.11699	13.9
139.11177	1.4
142.07808	0.9
143.08557	2.1
144.09261	0.9
145.10126	2.7
147.11630	2.4
149.09560	1.3
149.13268	42.1
151.11143	2.5
154.74794	0.8
156.09247	0.9
157.10095	3.1
159.10420	1.5
159.11694	26.6
161.13255	3.3
163.51193	0.9
167.14224	1.0
171.11693	3.5
173.13232	1.4
175.14880	1.5
177.12778	11.0
179.14209	1.0
185.13202	2.1
187.14795	1.2
191.06999	1.0
191.30136	0.8
191.64787	1.0
195.13811	11.0
199.14774	1.5
211.10851	1.0
213.14650	1.5
213.16458	2.0
251.11783	1.8
252.10132	1.7
269.08118	1.5
269.17450	47.6
269.22260	11.2
269.25171	1.2
271.20743	0.9
279.99142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
55.05498	7.9
56.05030	6.5
56.96583	25.3
57.03423	7.8
57.07048	5.7
59.05006	14.4
60.04509	4.5
61.02925	12.5
67.05505	9.3
69.03423	19.3
69.07063	9.6
69.73993	26.4
70.06603	38.3
70.98151	4.5
72.08163	8.0
73.02915	8.7
73.06550	11.7
75.04482	15.4
78.04670	5.8
79.05507	7.9
81.03417	10.2
81.07053	7.3
82.49097	5.3
83.06129	11.3
84.04518	11.2
84.08147	14.6
84.96079	5.0
85.02912	19.7
86.09697	6.2
87.04477	32.4
89.03920	4.5
89.24538	4.3
91.05481	10.7
91.80099	4.9
93.04568	5.5
95.06097	6.4
96.06873	6.9
97.02893	14.8
98.06068	10.9
98.20783	5.7
98.97595	32.2
103.03968	15.6
105.07059	11.0
106.31416	4.7
109.02857	8.1
110.07172	52.2
111.07502	10.2
112.08712	5.1
116.98632	22.4
120.08086	6.7
125.07143	6.0
127.03916	5.5
128.98608	10.2
131.03412	16.8
132.08113	10.8
134.09630	7.5
135.04376	6.5
136.06140	5.9
138.05432	6.5
138.12830	5.0
156.07721	7.6
158.99704	12.3
161.01118	6.8
161.04449	42.3
161.54897	5.9
162.05533	21.4
163.03909	22.3
167.42064	4.6
170.99704	5.6
171.07602	7.2
172.07886	7.9
177.00774	12.4
178.07706	5.1
179.11804	9.5
185.01286	4.6
188.29671	4.8
200.98445	6.5
217.03458	100.0
219.01881	8.4
224.10892	4.7
224.12560	9.8
224.14191	9.0
235.04543	23.9
237.02921	8.7
258.57727	5.6
270.07742	14.0
270.14838	39.8
270.24179	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	270.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05503	1.1
56.05029	1.9
56.96556	3.1
57.03427	2.5
58.06594	0.8
58.99858	0.9
60.04525	0.7
61.02924	1.5
67.05508	1.1
68.05033	1.6
69.03430	4.4
69.07075	10.0
69.71910	3.6
70.06241	1.2
70.06597	17.1
71.04993	1.5
71.66482	0.5
72.08161	2.8
73.02901	2.2
73.06543	2.0
74.09725	1.2
77.00921	1.3
79.05479	2.4
80.05015	0.6
81.03413	2.0
81.04541	1.5
81.07056	1.0
82.01450	1.1
82.05324	2.4
82.06592	2.9
83.06120	9.4
84.04485	1.2
84.08148	6.2
85.02910	6.0
86.09689	2.3
87.04449	1.0
88.04001	0.5
88.07659	0.6
89.03913	0.8
91.05486	1.1
93.04524	4.9
95.06097	19.6
96.08121	1.3
97.01379	1.8
97.02903	4.6
97.06541	7.2
98.06060	1.8
98.20727	1.1
98.97592	4.6
99.04447	0.9
100.02476	1.9
100.07631	1.1
101.00875	9.2
103.02450	0.7
105.03429	0.9
107.04951	1.5
107.06067	3.5
109.02895	0.7
109.06400	1.6
110.07175	66.1
111.04457	0.9
111.05559	1.5
111.07502	3.3
112.08735	4.9
113.00871	2.8
114.05457	0.6
115.02434	9.9
116.98606	2.2
117.03313	0.8
117.04031	1.2
118.01121	0.6
118.03498	0.9
118.08646	1.0
119.01932	19.7
119.04887	0.7
119.06054	2.3
120.02041	1.0
120.08073	0.5
121.01679	1.3
121.02860	0.7
121.07600	0.9
122.07133	1.5
123.09177	0.9
124.07623	3.8
127.03927	2.3
127.08677	1.9
129.03119	0.7
129.03973	4.3
129.10287	0.6
130.08647	1.2
131.01900	7.2
131.06010	0.7
132.06808	1.0
133.03484	10.4
133.06656	0.6
133.07611	4.2
134.07155	0.7
134.99736	1.0
135.04329	1.1
135.09145	1.0
136.02438	1.0
136.07610	1.2
137.01984	0.8
137.02930	3.0
138.05525	7.1
138.12816	1.0
141.00439	0.8
141.06601	0.7
141.10201	0.8
142.01115	1.6
142.03470	2.4
143.01923	2.8
145.03555	3.0
147.01425	0.8
147.05101	2.8
148.08670	1.7
149.02957	1.2
150.10275	1.0
151.02458	0.6
153.04013	0.7
154.03499	3.3
155.01918	1.9
155.08154	1.2
156.05066	0.8
156.06544	0.8
156.07716	8.3
157.03474	3.4
157.10852	3.5
158.06657	1.5
159.01341	0.8
160.02222	1.8
161.02980	4.4
161.10753	1.0
163.03915	5.6
163.08681	0.9
165.05559	1.1
165.10240	1.0
168.99828	2.7
169.03468	1.8
170.02934	0.8
171.09172	0.8
172.04498	0.8
173.02979	4.4
174.04417	1.6
175.00888	0.7
175.04549	2.6
176.07687	3.2
177.00914	1.0
177.02385	0.6
179.11813	16.1
179.55305	1.9
180.05293	1.0
181.00455	0.9
182.02968	1.1
183.08676	0.8
183.14955	0.9
184.04591	2.4
185.02977	1.5
186.99472	0.6
187.00894	4.0
187.02489	1.0
187.04512	1.3
188.11755	1.9
188.55733	0.9
189.02490	1.4
189.04721	0.6
189.10239	1.9
191.04012	1.0
192.05347	1.0
193.05054	0.9
196.11998	2.9
196.99347	1.0
197.12877	1.2
198.02673	0.8
198.06119	1.6
199.01035	1.1
200.07689	2.2
201.02397	2.1
202.05676	1.4
203.04007	1.4
205.01994	1.1
206.12901	10.5
208.04613	0.8
209.12892	5.1
211.10808	3.3
214.05519	0.9
215.00455	3.3
216.07257	0.7
217.01917	2.3
219.01765	1.3
219.03551	2.2
221.03110	1.3
221.05078	1.5
223.04634	0.7
224.13956	52.5
225.12369	3.2
225.16988	0.7
226.05511	0.9
226.15524	2.0
228.07277	0.7
229.01881	1.1
242.19785	4.0
243.06834	0.9
246.02618	0.6
247.03078	2.9
248.07880	0.6
252.13295	3.6
260.01639	1.7
265.02487	6.8
269.07065	0.7
270.00217	3.6
270.07999	11.9
270.14493	100.0
271.06046	0.9
271.08707	1.8
288.01291	1.2
288.09192	1.5
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
53.03933	0.2
55.05513	0.4
56.96555	0.7
57.03434	0.4
57.07061	0.2
65.03944	0.2
67.01569	0.2
67.01870	1.9
67.05494	0.4
68.99793	1.5
69.03414	0.5
69.07086	0.3
69.72153	0.9
73.02911	0.4
79.05489	0.5
81.03429	0.2
81.07050	0.5
83.04979	0.3
83.08598	0.2
85.02907	0.3
91.05483	2.2
93.07050	0.3
95.04947	0.3
95.08596	0.3
97.02898	2.1
98.97587	1.8
100.11234	0.2
105.07027	2.1
107.04919	0.2
107.08609	0.2
109.02898	0.2
109.10160	0.5
110.97537	0.4
111.00809	0.2
112.02154	0.3
116.98599	0.5
119.04946	5.1
121.02876	1.7
121.06504	0.2
121.10098	0.2
123.04490	0.2
127.03914	0.2
128.98619	0.4
129.01845	0.3
131.04881	0.2
131.08551	0.2
133.10191	0.2
135.11693	0.1
137.05965	0.2
141.07059	0.3
143.00136	0.2
145.02852	1.3
153.01837	11.3
153.06947	0.2
155.08560	0.3
158.99693	0.4
162.04367	1.0
163.03870	0.8
165.07005	0.7
169.06485	0.5
171.02898	0.7
171.04918	1.4
179.03735	0.3
181.06471	0.2
182.55713	0.4
183.08054	0.2
185.05931	0.2
187.03949	0.4
200.88571	0.1
201.00993	0.2
201.05577	0.1
203.06982	0.2
205.04381	0.3
210.06641	0.2
211.07549	0.4
215.07037	0.2
219.01776	0.4
221.04990	0.2
225.05460	0.4
229.04991	0.6
237.02853	0.3
243.06487	0.8
247.06149	0.3
253.04930	0.2
255.06552	0.2
271.06015	100.0
272.06418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05510	2.2
56.96563	1.3
57.07060	0.8
67.05512	4.5
69.07058	1.6
69.51125	2.0
69.51544	2.6
70.77160	0.6
71.04979	0.8
75.55331	0.6
79.05493	2.7
81.05813	1.2
81.07067	6.1
83.08630	1.2
85.06553	1.4
91.05488	2.9
93.05769	0.8
93.07055	2.5
94.06580	1.4
95.08625	3.3
96.08118	2.6
97.10157	0.9
98.96870	0.6
101.44474	0.7
105.07027	1.7
106.06564	2.1
107.08593	1.8
108.08118	9.7
109.10164	1.5
110.09660	0.9
117.07030	2.2
118.06587	1.7
119.08592	2.6
120.08077	1.4
121.10178	0.9
122.09663	1.7
129.07011	1.2
130.90599	0.6
131.07411	0.6
131.08543	1.2
132.08072	0.8
133.10101	2.2
134.06007	1.8
136.07607	1.6
144.05678	0.7
144.08109	1.9
145.09029	0.7
145.10182	1.5
146.09615	1.1
154.06509	1.0
157.10109	1.5
158.06093	0.8
158.09700	1.4
158.79770	0.7
159.08095	5.4
159.09254	1.4
159.11688	0.9
161.13283	0.8
168.08110	5.6
168.13335	0.7
169.08896	4.3
170.09660	1.8
171.09233	1.0
172.07664	1.1
173.09663	1.2
174.09116	2.1
181.10138	1.5
182.09680	2.8
183.08025	1.4
183.10434	8.1
183.11812	1.1
184.07680	1.1
185.10786	1.3
186.11574	1.4
187.14751	0.7
196.05916	1.0
196.07544	6.1
197.08345	7.5
197.84734	0.7
198.07733	1.2
198.09326	0.9
198.12820	8.8
199.08699	8.2
199.12303	2.2
200.13152	0.7
208.11143	1.2
209.10912	0.8
210.09177	2.9
210.11441	1.2
211.07748	1.4
211.09944	14.5
212.09465	2.4
213.10248	13.8
214.10938	4.6
215.15472	3.9
215.17595	1.0
225.13876	1.9
226.12299	32.9
226.14539	1.7
227.08192	1.7
227.11800	24.0
228.12595	28.8
239.11798	1.2
240.08978	1.5
241.09734	2.9
241.13301	0.8
242.10536	1.6
243.14955	25.4
243.17485	1.3
253.13371	4.2
253.15826	1.4
254.11746	1.9
255.11302	34.7
256.12082	38.5
269.12830	1.5
271.06335	4.6
271.14438	100.0
271.24225	3.2
272.14957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1694
Annotation	Estrone
Peak:m/z	Relative Intensity
53.03928	1.0
55.01857	2.7
55.05513	10.9
56.11822	0.9
56.96544	3.1
57.03439	9.2
57.07061	1.4
61.73948	0.7
64.53635	0.8
65.03926	0.9
67.05511	15.1
69.07063	8.7
71.04981	1.7
79.05492	12.1
81.06580	1.3
81.07056	19.2
83.04972	2.0
83.08601	4.2
85.06546	1.1
85.10166	0.9
91.05478	11.8
93.07043	8.4
95.04935	2.4
95.08038	1.1
95.08611	14.7
97.06500	2.5
97.10137	2.2
103.36592	0.8
105.07033	7.3
107.04918	1.5
107.08595	5.2
109.06505	1.0
109.10152	4.3
111.08057	2.1
115.05442	3.8
116.06232	1.3
117.07021	13.0
119.04873	1.4
119.08569	11.0
120.09087	0.8
121.10107	3.8
121.10886	1.0
123.08015	1.4
125.09604	1.2
125.92583	0.8
128.06186	2.5
129.07008	7.4
131.04893	0.9
131.08565	6.6
133.06462	2.4
133.10109	5.1
135.08038	6.3
135.11667	1.1
137.09587	1.0
141.06966	4.4
142.07744	1.9
143.08609	4.4
144.05704	10.5
145.03221	0.8
145.06520	5.1
145.10149	6.2
147.08005	3.5
147.11668	1.0
152.96481	1.3
154.72089	0.9
155.08548	3.0
157.06508	5.1
157.10110	3.8
158.07204	1.4
159.08054	100.0
159.11650	2.5
161.09581	2.1
161.13266	4.1
165.06952	1.7
169.06429	1.2
169.10075	3.8
170.97542	1.2
171.07924	1.6
171.11627	1.7
173.09642	8.1
175.07536	2.2
179.14305	1.4
182.07257	1.2
183.08026	2.6
183.11655	2.1
185.09612	8.5
187.11214	1.3
187.14742	0.8
189.16100	1.1
197.09575	3.7
197.13155	1.2
199.11223	1.3
211.07501	3.1
211.11125	3.2
211.14813	1.2
215.14333	5.3
225.12752	1.8
241.09610	1.3
243.17422	2.6
253.15883	8.4
254.24763	2.3
256.12061	1.1
271.06033	4.5
271.09543	3.0
271.16864	75.1
271.24078	5.5
272.17178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
52.17538	1.5
53.03932	2.6
55.01863	3.8
55.05516	38.9
55.06438	1.7
57.03439	22.2
57.07067	2.0
62.25847	1.8
67.05508	59.0
69.07072	35.6
71.05003	12.4
71.60928	1.6
71.61352	2.4
73.06559	1.9
73.11665	1.5
79.05497	25.5
81.07063	93.3
83.04971	4.6
83.08627	22.6
85.02858	1.6
85.06541	9.2
91.05495	21.8
93.06542	1.9
93.07058	20.6
95.04958	3.8
95.08617	100.0
97.06546	15.4
97.10159	4.9
99.08066	6.2
105.06396	1.7
105.07028	19.4
107.08612	8.3
109.06519	4.6
109.10177	14.0
111.08097	3.8
119.07774	1.9
119.08585	27.2
121.10115	6.3
122.13989	1.8
123.08007	4.8
123.11669	1.7
127.03923	3.4
133.10130	15.0
135.11705	9.2
137.09628	3.9
137.13228	7.1
151.14836	1.9
157.10246	2.2
159.11554	1.8
161.13261	33.3
179.14330	10.5
183.11650	2.1
197.15187	1.8
253.17825	2.7
271.05966	14.6
271.18958	60.1
271.23950	2.9
271.28271	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	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03931	2.5
55.01860	3.3
55.05512	35.8
56.96558	1.9
57.03438	27.5
57.07060	2.2
59.04992	0.9
65.03926	1.8
67.05506	57.4
69.03426	1.4
69.06723	1.9
69.07070	29.4
69.55410	6.9
71.04986	12.2
73.06556	1.3
79.05492	28.9
81.07059	88.7
82.07349	0.9
83.04996	4.8
83.08130	1.3
83.08620	19.9
85.06540	10.2
91.05479	22.2
93.07044	24.6
95.04957	3.1
95.08609	100.0
97.06535	18.0
97.10172	5.2
98.97561	3.7
99.08098	5.6
105.07035	18.7
107.08601	9.6
109.06516	2.7
109.10165	14.0
111.08072	5.1
113.09599	2.0
115.07534	1.0
116.98653	1.0
117.07036	1.2
119.08581	24.5
121.06533	2.4
121.10188	6.4
123.04395	2.5
123.08103	4.8
123.11712	1.7
127.07556	1.5
131.08601	1.5
133.10133	17.9
135.11728	8.5
137.09610	3.3
137.13222	7.2
145.10173	1.0
147.11725	1.2
149.13295	1.4
155.08517	1.4
159.11713	2.2
161.13261	36.0
165.06995	1.7
167.07040	2.1
172.09990	1.0
173.13332	1.3
179.14320	14.1
179.33656	1.0
183.08171	1.2
196.05231	0.9
197.15366	2.3
211.07619	2.4
233.13329	1.0
236.76875	0.9
239.06982	1.3
251.08762	0.8
253.18126	2.8
271.06183	5.3
271.09308	5.0
271.19046	54.3
271.24072	4.4
286.50858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
51.24490	0.7
53.03937	2.6
55.01860	2.8
55.05513	36.8
57.03438	31.3
57.07068	1.7
65.03931	1.9
67.05504	58.8
69.03420	1.1
69.07070	32.0
69.55564	2.2
69.55969	2.9
71.04997	12.3
79.05050	1.7
79.05494	26.6
81.03399	0.9
81.07056	87.4
81.86780	0.8
83.04968	4.7
83.08617	21.7
85.06548	9.6
91.04960	1.4
91.05488	21.7
93.07043	24.0
95.04971	2.9
95.08608	100.0
97.06534	16.6
97.10156	6.2
98.21425	1.8
98.97533	0.9
99.08099	5.1
105.07034	15.1
107.08598	9.2
109.06526	3.0
109.10155	14.2
111.08075	5.3
113.06022	1.0
113.09628	1.9
115.07638	1.0
117.07072	1.1
119.08582	25.7
121.10165	4.8
123.08073	6.3
124.95559	0.8
125.09657	0.8
131.08548	0.8
133.10129	15.4
135.11714	9.5
137.09572	3.9
137.13252	7.8
141.09143	1.1
149.13205	1.0
151.14774	1.3
161.13260	35.4
164.29190	0.8
179.12921	1.0
179.14342	12.8
197.15343	1.1
207.57092	0.8
253.18001	3.2
271.19055	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03939	4.2
55.01867	3.2
55.05514	37.7
56.96564	2.4
57.03438	28.4
57.07063	3.5
65.03923	1.8
67.05508	58.5
69.03416	1.4
69.06710	2.0
69.07070	30.6
70.76411	1.2
70.76730	1.9
71.04995	14.6
71.08619	1.2
73.06547	1.8
79.05501	27.0
81.03412	1.8
81.07060	91.9
83.04977	4.2
83.08626	22.5
85.02934	1.7
85.06540	10.4
91.05490	21.9
93.07052	24.3
95.04968	4.0
95.08611	100.0
97.06545	14.1
97.10165	6.7
98.97571	3.0
99.04459	1.3
99.08098	5.7
105.07034	22.7
107.08604	10.5
107.75375	0.9
109.06552	2.9
109.10161	14.0
111.08082	3.0
113.06024	1.3
113.09692	2.5
117.07028	3.3
119.08584	24.6
121.10142	6.7
123.08080	4.5
123.11694	1.7
125.09653	1.9
127.03924	1.3
130.71629	1.0
131.08594	3.4
133.10149	18.5
135.11711	9.9
137.05936	1.3
137.09622	3.9
137.13261	8.4
143.08560	1.5
145.06512	1.5
145.10123	3.2
147.11656	2.9
149.13242	1.8
153.07021	1.4
155.08502	2.2
157.10138	1.5
157.22197	1.3
159.08081	1.4
159.11705	3.0
161.13266	33.3
165.07007	3.2
169.10175	1.4
171.11642	1.4
175.30638	1.0
179.14349	13.2
181.06485	1.5
183.08005	2.0
190.11279	1.1
197.15555	1.1
201.16397	1.2
211.07507	3.0
213.05341	1.1
215.17792	1.0
253.18044	3.8
256.07382	1.0
271.06003	8.1
271.09702	4.7
271.19095	55.3
271.23666	6.9
294.37024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.13247	0.5
50.14457	0.5
53.00280	0.5
53.03953	2.9
55.01869	2.2
55.05513	37.8
56.05846	0.7
57.03439	27.8
57.07064	1.5
59.05018	0.6
59.23835	0.5
61.69028	0.5
65.03936	2.2
67.05506	56.5
68.12748	0.5
69.03419	1.6
69.07069	31.8
70.10628	1.9
71.04996	12.5
73.06545	1.6
79.05495	24.8
81.07059	87.8
83.04994	4.6
83.08128	1.2
83.08622	20.8
85.02892	1.2
85.06548	10.2
87.04457	0.8
91.05479	19.7
93.06459	1.3
93.07047	23.4
95.04964	2.7
95.08609	100.0
97.06536	13.5
97.10161	5.8
99.08093	4.6
101.06001	1.1
105.04575	0.7
105.06364	1.2
105.07034	17.0
107.08596	8.7
109.06522	3.1
109.10157	12.1
111.08093	4.4
113.09644	1.6
113.31232	0.7
115.07609	1.1
117.07011	1.3
119.08582	23.9
121.10143	5.7
123.08074	5.3
125.09630	0.8
127.07561	1.3
131.08521	0.6
133.10138	14.0
135.11697	7.7
137.09605	2.7
137.13257	6.0
141.09071	0.8
145.10107	1.0
149.13214	2.3
153.01839	0.9
159.11754	0.8
161.13260	27.1
165.07138	0.8
179.14316	10.2
197.15384	1.7
211.07593	1.1
222.81235	0.6
253.17987	2.2
271.06003	12.3
271.09116	1.0
271.19043	61.8
271.23953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
52.06490	1.3
53.03933	4.2
55.01862	3.6
55.05265	2.5
55.05515	42.1
56.96578	2.7
57.03184	1.9
57.03439	32.0
57.07081	2.8
57.84562	1.3
65.03939	2.7
67.05506	51.2
67.56314	1.2
69.03426	2.6
69.07070	31.9
69.49140	3.3
69.49561	5.9
70.77037	1.2
71.05000	13.6
73.02916	1.8
75.13589	1.3
79.05493	29.3
79.35396	1.4
81.07061	92.6
83.04971	3.5
83.08630	22.0
85.02913	1.6
85.06534	9.4
91.05485	23.3
93.07046	28.7
95.04951	4.2
95.08610	100.0
97.06540	15.1
97.10152	4.9
98.97591	3.5
99.08099	5.5
105.07034	21.4
107.08607	9.4
109.06505	3.5
109.10155	13.2
111.08062	4.8
113.05999	1.5
115.07556	2.3
117.07012	2.8
119.08594	24.9
121.10150	7.8
123.08060	6.3
123.11693	2.7
131.08594	2.1
133.10141	16.5
135.11679	9.0
137.09621	4.0
137.13287	6.5
143.08592	1.4
147.11636	1.4
149.13272	2.7
153.06918	1.6
159.11685	2.4
161.13281	31.6
165.06995	3.3
179.14330	15.1
183.08017	1.6
196.04945	1.4
211.07564	4.6
241.31583	1.6
253.17978	2.6
271.06024	8.8
271.09335	6.9
271.19070	60.8
271.24130	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	272.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	68.9
59.42514	0.8
60.97474	0.8
70.06592	2.8
70.71154	2.1
71.95274	1.8
74.97623	1.8
84.04520	1.1
84.47382	0.9
84.96048	5.2
98.97591	14.0
100.11276	1.1
106.98111	1.2
110.07137	1.1
110.97579	1.8
112.99148	1.7
116.98623	3.8
118.72218	0.7
121.02861	1.0
121.03996	3.1
124.99124	56.1
126.96996	1.6
127.00690	3.4
129.10204	0.8
130.08615	1.1
131.00177	1.6
139.00684	3.3
141.02231	3.2
141.93280	0.8
143.00172	100.0
144.98112	2.4
145.01720	2.5
146.99718	0.9
152.98611	4.0
157.01775	3.2
157.07553	0.8
158.99631	1.9
159.03287	2.9
161.01230	48.8
162.99188	1.5
163.03912	1.8
166.01817	2.6
167.00192	3.3
169.01740	2.3
170.99654	14.7
174.99193	1.2
175.02805	1.1
179.02278	3.2
185.01247	21.3
187.02733	1.7
189.00713	17.0
194.99677	0.9
203.02278	9.5
207.01778	2.5
213.00650	4.4
213.29565	0.8
221.03380	1.1
231.01759	9.7
249.02834	76.1
250.03339	0.9
254.03299	1.5
267.03891	86.4
268.04214	1.2
272.04358	8.2
272.16336	1.7
274.96509	0.9
285.04956	29.2
290.05481	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	272.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43589	0.8
52.63325	0.7
53.03931	2.0
55.01863	2.4
55.05508	2.4
56.05038	1.5
56.96560	3.2
57.03441	8.2
58.06579	0.7
59.04985	0.9
61.02926	3.2
62.06093	3.3
65.03932	1.5
67.05499	2.7
69.03436	16.1
69.07062	1.4
69.75638	3.8
70.06618	3.7
71.01346	0.8
71.05002	5.2
72.04527	3.7
72.08149	1.1
73.02929	7.7
74.06069	1.1
77.03921	1.4
79.05482	3.2
80.05025	1.2
81.03421	9.8
81.07072	4.1
82.06570	1.3
83.05006	0.8
83.08629	0.9
84.04480	0.8
84.08152	1.9
85.02910	3.5
85.06491	0.7
86.09732	1.5
88.07620	1.6
91.03960	0.9
91.05487	10.2
92.05013	1.1
93.07040	2.1
94.06559	2.5
95.04986	1.9
95.08616	2.8
96.08141	0.8
97.02901	3.1
97.06542	1.4
98.06030	1.8
98.41875	0.7
98.97577	4.0
99.04470	10.3
100.02217	2.2
100.07616	2.6
101.00877	2.0
101.02389	0.9
104.05013	2.5
105.03393	2.1
105.04579	0.8
105.07017	1.4
106.06538	1.9
110.06062	1.0
110.07195	1.4
110.97627	0.9
111.08107	0.8
112.07629	1.0
116.07119	1.7
117.05505	6.5
118.06542	9.5
119.01924	3.0
119.03442	1.5
119.04967	7.0
120.04480	24.3
120.08108	1.1
121.03968	0.8
121.10170	0.7
122.06033	9.8
124.07631	0.9
124.99080	1.2
128.98593	1.4
130.06531	3.8
131.08601	0.9
132.04465	100.0
133.10065	1.0
134.06027	9.5
138.05516	7.2
139.02477	0.8
143.00211	3.3
144.08112	3.2
145.03532	1.3
146.06026	12.5
147.04411	5.1
148.03917	2.1
148.07574	1.0
148.33521	0.7
150.05519	39.3
154.06546	1.9
157.03545	2.2
158.06070	3.4
160.04285	2.3
161.01251	1.7
162.05547	1.2
170.06056	2.3
172.07591	13.6
173.02963	0.8
175.03893	9.4
177.05573	1.0
182.15434	1.6
189.00760	1.7
190.06966	0.8
190.08641	3.0
193.05627	1.1
193.12253	1.6
200.07051	8.1
207.06531	16.3
208.06882	0.8
210.14920	7.0
211.06929	0.9
211.13289	3.3
215.29515	0.7
218.08144	36.5
221.05070	0.9
228.12459	1.2
228.15967	18.7
235.06688	3.5
236.09163	8.6
236.16710	0.8
244.19073	1.3
247.06621	1.8
249.02890	2.7
249.08011	0.9
254.10266	14.1
254.17635	4.5
267.03986	2.3
271.06793	1.0
272.11340	57.3
272.18564	22.1
273.18289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60345	0.1
58.78371	0.1
68.97437	0.1
70.58846	0.1
70.59183	0.2
74.09721	2.9
85.02900	0.1
86.60448	0.1
96.96923	0.6
111.80180	0.1
112.05275	2.9
128.29831	0.1
130.06305	2.3
156.04221	100.0
157.04527	0.2
183.04990	0.2
203.04015	0.1
273.12088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05503	4.8
57.07067	2.7
57.70152	1.5
67.05500	6.1
69.03423	2.8
69.07063	5.8
69.29617	11.7
71.04992	5.2
72.89841	1.2
79.05484	8.2
80.11682	1.2
80.59705	1.2
81.07062	11.1
83.04975	2.7
83.08607	3.2
85.06554	5.2
91.05478	12.4
93.07053	7.7
95.04420	2.2
95.04972	21.0
95.08623	8.0
97.06503	1.8
105.07037	21.7
107.08616	12.1
109.06528	21.6
109.10172	7.8
111.08086	4.3
117.07036	6.1
119.08590	20.6
121.06523	2.9
121.10146	7.5
123.08077	18.2
123.11703	2.4
125.09692	1.5
128.06236	2.4
129.07011	4.6
130.07822	3.1
131.08572	17.6
133.10146	10.9
135.08061	12.2
135.11711	3.6
137.09639	8.8
141.07013	3.2
142.07797	7.7
143.08582	11.3
144.09380	4.3
145.10139	42.5
147.08070	7.4
147.11711	19.6
149.09601	4.0
150.18402	1.3
151.07565	3.0
151.11192	3.6
155.08566	4.3
156.04210	2.7
156.09334	8.5
157.10133	26.3
158.10913	5.5
159.08081	4.1
159.11737	13.4
161.09598	10.1
161.13254	4.1
163.11220	3.0
167.08586	2.8
169.10168	5.3
170.10895	5.1
171.11702	22.7
172.12497	3.0
172.78421	1.5
173.09703	8.9
173.13271	28.1
174.10402	2.7
175.11203	10.4
177.12773	3.1
181.10190	2.9
182.10941	3.9
183.11684	3.5
185.09587	1.8
185.13242	8.3
187.11168	17.8
187.14830	6.4
189.12761	19.2
195.11722	3.9
196.12427	2.1
197.13309	13.7
198.14018	1.8
199.11197	9.2
199.14775	1.7
200.11981	1.7
201.12718	2.8
203.14308	4.7
207.11737	2.8
211.14879	3.8
212.15660	3.8
213.12863	6.3
213.16351	14.0
214.13493	2.1
215.14326	39.8
215.16267	2.5
217.12291	7.0
222.13977	1.4
225.12788	2.0
227.14331	1.5
227.17944	3.0
229.16028	3.0
230.16617	1.4
231.13857	3.0
231.17465	16.1
237.16447	6.8
243.13878	2.5
255.17468	28.7
273.18521	100.0
273.26303	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03942	2.0
55.01887	4.1
55.05254	1.3
55.05516	21.9
57.03429	2.4
57.07089	2.0
65.03929	1.2
66.12408	0.8
67.05510	16.6
69.03451	1.1
69.07076	11.0
69.93668	3.8
71.04992	2.1
74.36992	1.0
79.05503	14.8
81.03416	1.4
81.06629	1.5
81.07063	18.1
83.04974	2.0
83.08628	11.3
85.06544	1.3
91.05488	34.9
93.07055	14.3
95.05016	1.9
95.08613	10.3
97.06513	2.4
97.10149	4.6
98.21378	1.2
103.05486	2.4
105.07044	32.6
107.04962	2.6
107.08598	9.3
109.06520	2.6
109.10164	2.3
110.87569	1.0
111.08081	1.4
115.05468	5.4
116.06242	3.3
117.07029	30.9
119.04938	2.0
119.07777	1.3
119.08588	19.7
121.06502	3.0
121.10182	4.0
123.08054	2.8
125.09638	2.0
128.06235	8.1
129.07014	16.0
130.07813	8.9
131.04955	1.2
131.08580	62.1
133.06477	4.4
133.10144	9.1
135.08060	4.5
135.11708	1.3
137.09608	1.1
141.05928	0.7
141.06981	3.2
142.07791	2.6
143.08580	47.3
144.09349	3.3
145.06456	2.1
145.10138	64.3
145.87552	0.9
147.08070	10.7
147.11703	3.2
149.09578	1.6
153.06982	0.9
155.08537	3.1
156.04189	1.2
156.09386	0.9
157.10146	15.3
158.10913	1.0
159.08107	4.6
159.11699	13.4
161.09666	7.6
161.13318	1.7
163.11119	1.1
167.08589	1.6
169.10159	5.7
171.11708	10.9
172.12466	1.4
173.09650	2.0
173.13289	2.8
175.11194	2.9
177.09151	1.0
177.12862	1.1
181.10165	3.9
183.11716	3.0
185.09695	1.3
185.13313	4.8
187.11319	1.1
189.12761	0.9
195.11757	6.4
197.13374	1.0
199.11189	2.6
199.14854	1.3
201.12785	1.2
209.13277	1.6
213.12697	2.3
213.16348	1.9
227.17924	3.7
231.13988	1.1
237.16415	12.4
242.21774	0.8
245.19026	2.5
255.17465	14.3
273.18512	100.0
274.18814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.14395	1.1
53.03939	5.2
55.01855	5.5
55.05515	12.1
56.96564	2.6
57.03421	1.5
57.07064	1.9
65.01699	1.1
67.05514	26.1
69.03422	2.8
69.07074	9.7
70.45803	1.3
71.04971	1.5
71.21611	1.9
75.97150	1.2
79.05506	24.5
81.03413	5.3
81.07067	29.9
83.04971	3.5
83.08609	5.2
85.06567	1.2
91.05487	34.0
93.06470	1.2
93.07056	24.2
95.04975	14.7
95.08618	24.5
97.06519	5.2
97.10159	1.8
98.97614	1.9
103.05509	2.6
105.07042	32.9
107.04958	11.9
107.08602	13.1
109.06544	9.6
109.10155	4.4
111.04461	1.3
111.08128	1.5
115.05480	3.4
116.06254	1.3
117.07030	16.2
119.04945	2.8
119.08594	29.9
121.06529	6.6
121.10161	7.0
123.08085	7.8
128.06233	4.4
129.07031	11.1
130.07788	1.8
131.04884	1.4
131.08580	22.9
132.05670	1.6
133.06534	9.2
133.10135	17.3
135.08047	13.6
135.11691	3.8
137.09644	9.1
141.06975	2.3
142.07819	3.7
143.08580	12.4
145.06491	4.2
145.10115	20.6
146.07286	1.4
147.08066	12.1
147.11708	6.6
149.09654	8.8
151.11218	2.2
155.08553	2.7
156.04219	2.0
157.10159	13.0
158.07332	1.3
159.08046	4.8
159.11703	9.5
161.09630	18.9
161.13315	2.6
163.07701	1.6
163.11212	4.5
169.10158	3.4
171.08034	1.7
171.11687	9.6
173.09605	4.7
173.13322	4.5
175.11163	12.3
177.12767	1.6
181.10130	3.3
183.11707	2.0
185.09621	4.0
185.13264	4.9
187.11212	4.2
187.14706	1.7
189.12798	8.0
192.72978	1.2
195.11749	1.5
199.11150	3.3
201.12718	1.7
203.14345	1.8
209.13266	1.5
213.12863	2.7
213.16435	3.9
217.12273	2.3
227.14357	1.9
227.17964	5.6
237.16499	4.2
245.19159	8.5
255.17479	18.6
273.18533	100.0
273.29822	3.9
274.18686	1.3
274.27374	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03931	2.2
55.01884	4.3
55.05511	10.2
56.96566	1.0
57.03435	1.2
60.51132	0.9
65.03946	1.1
65.79133	0.8
67.05517	12.2
69.03430	2.0
69.07082	6.3
70.06599	0.9
70.12908	3.6
70.13264	1.6
71.04978	1.4
79.05499	12.3
81.03424	1.5
81.07066	12.0
83.04968	2.7
83.08625	3.6
91.04953	1.8
91.05489	22.6
93.07061	7.1
95.04980	2.7
95.08602	5.4
96.08127	1.7
97.06532	1.6
97.10170	1.9
98.21368	1.2
103.05488	1.4
105.07038	18.7
105.07737	1.0
107.04961	3.6
107.08611	6.7
109.06509	2.9
109.10149	4.9
115.05461	3.4
116.06232	2.3
117.07025	17.5
119.05003	1.4
119.08585	17.3
121.06503	2.9
121.10147	2.8
123.08067	2.6
123.11683	1.1
123.86625	0.8
125.09640	0.9
128.06247	4.6
129.06998	9.9
130.07770	3.7
131.04942	1.1
131.08578	34.1
133.06502	4.7
133.10127	7.5
135.08057	2.9
135.11652	1.4
139.13571	3.3
141.06995	1.9
142.07782	1.4
143.08546	10.1
145.06482	3.0
145.10127	23.2
147.08067	11.0
147.11688	2.5
149.09653	2.9
155.08585	2.6
156.04219	2.9
157.10147	8.5
159.08061	5.1
159.11694	8.5
161.09641	7.8
161.13246	1.3
163.11151	2.1
163.14870	1.0
169.10117	2.6
171.11726	5.8
173.09651	2.6
173.13322	1.0
175.11198	5.3
177.09160	1.5
181.10175	1.7
185.09692	1.3
185.13269	2.8
187.11191	1.7
189.12808	1.3
195.11700	1.6
199.11153	3.4
199.14862	1.2
208.12526	0.9
209.13213	1.0
213.12781	1.4
213.16440	1.6
227.18005	3.7
231.17484	1.2
237.16377	3.3
245.19051	3.0
255.17485	9.7
273.18521	100.0
273.29794	2.1
274.18930	1.8
274.27399	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03954	1.6
54.59710	1.3
55.00705	1.5
55.05264	1.4
55.05513	18.2
57.07072	8.9
63.79837	1.4
67.05165	1.9
67.05505	25.3
69.07076	38.4
69.25202	1.6
71.08623	3.3
71.60191	2.2
79.05487	15.3
80.18618	1.2
81.07062	77.8
83.08620	16.9
87.83642	1.5
91.05481	13.1
93.07050	37.1
95.04976	2.4
95.08609	76.9
97.10165	11.2
105.06373	1.9
105.07037	26.8
107.08601	55.8
109.06504	1.7
109.10162	54.7
109.56782	1.5
111.11705	2.8
111.87820	1.4
117.07056	1.8
119.08579	26.8
121.10149	49.7
123.11716	41.8
129.23480	1.5
131.08539	3.1
133.10129	20.2
135.11702	32.7
137.13251	14.7
145.10147	1.8
147.11703	19.7
149.13258	49.0
151.14819	8.0
153.40744	1.8
156.04182	7.2
159.11646	2.5
161.13258	29.8
163.14825	30.9
165.16385	2.4
175.14845	14.1
177.16426	18.2
189.16373	21.1
191.17969	10.2
203.17958	20.8
217.19536	32.3
231.21118	3.5
273.18530	5.1
273.25778	100.0
274.26508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.85755	1.1
53.03934	2.7
55.05287	1.4
55.05517	15.5
57.07079	8.7
63.29111	1.3
65.03921	1.4
67.05515	23.9
69.06715	1.9
69.07074	33.6
69.48854	10.8
71.08631	3.0
72.49744	1.3
79.05507	14.8
80.33600	1.2
81.07065	74.4
83.08619	17.0
85.10149	2.5
86.60844	1.4
91.05499	11.0
93.07055	40.0
95.04936	1.7
95.08615	71.8
97.10173	9.4
105.07044	30.7
107.08605	48.5
107.38216	1.4
109.10165	55.4
109.16338	1.3
111.11734	3.7
114.43837	1.4
119.08598	20.2
121.10155	43.0
123.10802	1.8
123.11717	35.6
131.08565	2.4
133.10135	20.2
135.11713	29.2
137.13251	12.1
145.10132	2.4
146.67070	1.4
147.11696	20.1
149.13272	41.4
151.14824	6.5
154.85921	1.5
156.04233	9.1
159.11595	1.8
161.13255	24.6
163.14835	24.2
165.16423	3.0
175.14818	13.4
177.16411	16.0
179.17972	1.7
189.16412	18.0
191.18018	9.8
203.17967	17.8
217.19554	27.7
231.21054	3.4
273.18756	3.5
273.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65100	0.7
54.04433	0.6
56.96555	2.3
57.03460	0.7
62.17458	0.7
67.05489	1.0
69.03413	0.8
69.07063	1.2
70.02274	2.2
70.06588	1.9
72.08142	1.4
73.02918	1.0
76.02220	0.9
84.04483	1.0
84.08133	3.2
85.02883	0.9
86.09697	1.6
91.05472	0.9
95.01331	1.0
95.06085	0.7
96.12538	0.7
97.02864	0.9
97.06525	2.0
98.97591	1.9
112.11253	1.2
114.09190	1.5
115.05424	1.0
116.06187	0.6
119.01927	2.5
128.98517	1.0
129.07007	0.8
129.10245	1.1
141.06958	2.3
157.06570	1.6
158.99638	0.7
160.64297	0.7
163.04089	0.7
166.99039	0.6
169.03517	0.9
169.06512	1.9
187.07454	0.8
189.05392	0.8
194.04228	0.8
197.05983	1.8
199.01973	0.7
213.05525	0.9
214.06310	0.9
215.01637	1.0
215.07098	2.2
231.06622	0.8
243.06549	1.4
245.04916	0.7
247.09096	0.7
257.02701	10.7
260.06805	1.0
275.03909	7.1
275.08536	6.1
275.11047	100.0
276.11218	0.8
280.48367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.2
55.01868	3.0
55.05252	1.1
55.05515	13.1
57.03440	1.5
57.07060	2.8
58.07370	0.7
65.03951	1.5
67.05511	15.1
69.03441	0.7
69.07083	8.0
70.06583	3.4
70.47532	1.3
70.47886	2.2
71.04985	2.1
71.06922	1.1
71.08655	0.8
74.68705	0.7
77.03922	1.1
77.82529	0.7
79.05501	14.4
81.03443	0.9
81.06634	1.3
81.07063	15.4
83.04971	2.6
83.08633	4.6
85.06545	1.2
88.07622	2.8
89.07973	1.5
91.05486	32.5
93.07053	16.3
95.04980	2.3
95.08617	9.3
96.73018	0.8
97.06534	1.8
97.10178	1.8
102.09180	1.3
103.05505	1.6
105.07038	53.3
106.08671	2.3
107.04994	3.9
107.05643	1.0
107.08583	12.8
109.06535	2.1
109.10157	3.9
115.05420	1.1
117.07029	7.6
119.08588	29.8
119.09441	1.4
121.06436	1.2
121.10155	6.0
123.08090	2.0
123.11689	0.9
125.09650	0.9
129.06981	2.2
131.08578	12.4
133.10141	35.1
135.08037	4.5
135.11684	2.4
143.08595	2.6
145.10146	14.5
146.10905	0.8
147.08011	1.0
147.11694	25.8
149.09647	5.6
151.11258	0.9
155.08490	0.9
157.10162	2.2
159.11684	5.7
161.09631	1.5
161.13278	4.0
163.11226	2.1
165.12680	0.9
165.46579	0.8
171.11723	2.8
173.13271	2.7
175.11282	1.0
175.14742	0.9
177.12767	0.9
183.11717	2.8
185.13338	1.4
186.50604	1.0
187.41812	0.9
197.13287	2.2
198.90565	0.8
215.14255	1.0
215.18025	0.8
229.19438	1.5
233.15366	0.9
239.18025	3.2
247.20526	1.1
257.19003	9.6
257.26740	2.3
275.20087	100.0
275.27777	32.2
276.20563	1.7
286.23373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03958	1.2
55.01863	2.8
55.05508	9.1
57.03429	1.7
57.07069	1.8
65.03947	1.1
67.05510	13.0
69.07072	7.7
69.75638	5.2
70.06597	1.6
70.49490	0.9
71.04993	1.0
71.06892	0.7
79.05496	15.7
81.03381	0.7
81.06635	1.5
81.07066	17.1
82.95286	0.7
83.04974	2.8
83.08644	4.1
84.34765	0.8
85.06551	1.1
88.07608	2.5
89.07935	1.4
91.05484	30.3
93.07051	14.9
95.04960	3.1
95.08607	8.4
97.06530	1.6
97.10170	2.7
101.50845	0.9
102.09193	1.0
103.05469	1.1
105.07039	47.3
106.08707	1.1
107.04980	3.9
107.08594	12.7
109.06517	3.3
109.10158	3.6
117.07015	8.7
119.08588	26.4
121.06517	1.9
121.10138	6.0
123.08094	1.2
123.11696	1.7
125.09647	1.3
129.06981	1.0
131.08582	11.6
133.10138	28.7
135.08049	3.7
135.11664	3.1
143.08559	2.9
145.10138	11.6
147.11694	20.0
147.12587	0.5
149.09621	5.4
157.10150	2.3
159.11702	9.2
161.09627	1.9
161.13216	3.8
163.11191	2.5
164.51567	0.7
169.10201	1.0
171.11688	2.1
173.13281	3.0
175.11264	0.8
177.12755	0.9
177.86427	0.8
179.51848	0.8
183.11697	2.2
185.13237	2.1
190.75761	0.8
197.13297	1.1
201.12909	0.9
203.14381	1.7
204.24554	0.8
213.16357	0.8
215.18120	0.9
219.13760	1.0
229.16028	1.2
229.19582	2.1
239.17960	3.0
257.19049	9.7
257.26837	1.1
275.20081	100.0
275.27750	26.2
276.20325	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	275.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01866	2.3
55.05512	12.6
57.03440	1.2
57.07080	1.9
57.29819	0.8
65.03938	0.9
67.05514	13.4
69.03429	0.7
69.07079	8.8
71.04988	1.4
71.10311	0.9
71.10651	1.2
72.65993	0.7
73.06570	0.9
79.05499	16.0
81.07066	17.6
83.04971	1.1
83.08628	4.9
88.07629	2.1
91.05486	33.3
93.07055	16.5
94.39011	0.8
95.04967	2.8
95.08622	11.4
97.06519	2.7
97.10175	2.4
103.05460	1.5
103.09457	0.8
105.07040	56.8
107.04951	2.3
107.08600	14.6
109.06540	2.6
109.10165	4.0
111.08109	1.3
117.07024	8.0
119.08597	29.9
119.09447	1.4
121.06510	2.6
121.10164	6.5
123.08070	1.8
123.11734	1.6
125.09624	1.3
129.07014	2.1
130.07784	1.0
131.08588	13.3
132.09396	0.8
133.06519	0.9
133.10146	31.9
135.08090	1.9
135.11726	4.1
140.05402	0.9
143.08577	2.6
145.10150	16.1
147.08124	1.4
147.11705	22.9
149.09644	6.4
149.13341	1.0
151.11235	1.2
155.08556	0.9
157.10132	2.9
159.11725	9.2
161.09628	1.2
161.13266	5.0
163.11198	3.9
165.12723	0.9
169.10106	2.4
171.11700	3.1
173.13277	3.9
175.11208	1.4
175.14810	0.9
177.12729	1.1
181.12340	1.0
183.11697	1.9
187.11200	1.4
193.12314	0.8
197.13283	2.0
201.12778	1.1
213.47597	0.9
219.13756	0.9
229.19516	2.4
239.18010	4.5
243.45752	0.8
247.20569	1.7
257.19080	9.4
275.20087	100.0
275.27808	14.8
276.20499	1.2
280.12173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01861	2.0
55.05261	1.2
55.05511	15.8
57.07072	1.3
59.19643	0.9
65.03931	1.4
67.05167	1.2
67.05505	15.8
68.19701	0.8
69.07063	8.5
69.96561	4.0
71.04987	2.3
73.60566	0.9
79.05489	19.5
81.07055	18.3
83.04974	2.7
83.08624	5.3
85.06529	1.5
91.05479	45.4
93.07049	17.1
95.04946	3.4
95.08596	14.2
97.06528	1.5
97.10160	3.3
102.50526	0.8
103.05476	1.5
105.07030	65.6
107.04935	3.1
107.08585	14.0
109.06527	1.5
109.10147	5.5
111.08065	1.1
111.99967	6.2
113.60331	0.9
117.07024	12.1
119.08581	36.6
121.00459	3.7
121.06503	2.0
121.10139	5.3
121.50643	1.2
123.11647	1.5
125.09596	2.0
129.06995	3.5
131.08568	14.8
132.09401	1.0
133.10129	41.8
135.08049	1.9
135.11681	2.2
137.09601	1.6
141.06956	1.3
143.01767	1.0
143.08545	3.8
145.10117	17.7
147.11688	25.8
149.09618	5.4
155.08623	1.3
155.55302	1.0
157.10146	2.1
159.11684	8.0
161.13232	5.2
163.00386	1.2
163.11116	1.5
167.99678	3.4
169.10112	2.1
171.11658	2.8
173.13239	4.1
175.11171	1.6
175.14859	1.5
177.00191	3.4
183.11668	3.1
185.13248	1.1
187.11230	1.1
187.14845	1.4
197.13257	2.0
208.02048	4.1
208.52319	1.1
211.14842	1.4
215.18077	1.4
217.02588	5.1
233.15508	0.9
239.17921	4.3
241.80424	1.0
247.20596	2.0
252.04689	5.8
257.18967	10.2
261.05173	1.5
272.84412	1.1
275.20059	100.0
275.27783	10.0
276.20544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	3.2
55.01873	6.4
55.05518	28.1
57.03430	2.5
57.07075	1.4
59.04971	0.9
61.62687	0.7
65.03941	2.4
67.05511	36.2
69.03437	1.3
69.07077	11.4
71.05015	3.7
71.31001	1.7
77.03912	0.9
79.05501	49.7
81.07065	26.6
83.04974	3.3
83.08630	6.7
85.06555	1.5
91.05492	41.9
93.07055	27.4
95.04966	4.4
95.08611	11.7
97.06512	1.8
97.10170	4.1
99.08083	1.1
103.05485	2.3
105.07040	56.6
107.04966	26.3
107.05689	1.4
107.08602	32.0
109.06502	3.2
109.10171	16.4
111.08083	2.7
115.05449	1.4
117.07029	13.8
119.08589	34.8
121.06535	3.7
121.10149	10.9
123.08059	2.6
123.11701	3.4
125.09628	5.2
128.06258	1.1
129.06999	2.6
130.07738	1.8
131.08583	14.7
133.10143	34.2
135.08060	5.5
135.11691	2.6
137.09595	2.1
141.06946	1.6
143.08586	2.6
144.09357	1.0
145.10138	14.4
147.08061	1.5
147.11705	20.3
149.09633	47.8
149.13249	1.4
151.11168	1.5
153.09126	1.6
155.08580	1.6
155.10648	1.8
157.10124	2.0
159.11720	9.6
161.09584	1.7
161.13272	7.0
163.11150	2.7
169.10138	2.0
169.12259	3.3
171.11699	2.9
173.09575	1.0
173.11742	3.4
173.13280	5.6
175.11229	1.1
175.14880	1.9
177.12737	0.9
179.10692	1.0
183.11671	2.3
185.13260	1.1
187.11211	1.9
187.13272	2.1
187.14743	1.8
191.14308	0.9
193.12349	1.1
197.13223	2.7
201.12791	0.9
201.16441	1.2
213.16335	0.9
215.14276	1.4
215.18007	2.9
219.13718	1.0
229.19496	8.6
233.15318	1.9
239.17982	5.0
247.20653	3.1
257.19025	18.6
271.16907	0.8
275.20084	100.0
276.20544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.01874	9.8
55.05261	1.2
55.05514	24.5
57.03422	3.0
57.07063	3.9
59.04970	1.1
65.03935	1.9
67.05168	1.6
67.05508	27.0
69.07069	13.2
69.35423	8.9
71.04992	2.4
72.05117	1.0
73.06538	1.1
79.05049	1.7
79.05497	31.7
81.03418	2.1
81.07061	32.6
83.04968	3.0
83.08614	7.4
84.59579	0.9
85.06538	1.3
91.05483	52.8
93.07052	25.3
95.04979	4.9
95.08609	17.2
97.06524	8.9
97.10156	3.8
103.05452	2.2
105.07037	79.8
107.04290	1.0
107.04971	13.1
107.08599	23.3
109.06525	3.4
109.10171	12.7
109.34715	1.0
109.37363	0.8
109.92049	1.0
111.08098	2.3
111.98832	0.9
117.07021	14.5
119.08584	39.5
121.06516	2.7
121.10159	10.2
123.08047	2.1
123.11713	3.4
125.09628	4.1
129.07007	2.4
131.08582	18.3
133.10132	42.3
135.08052	4.7
135.11664	4.5
137.09598	1.9
141.07050	1.3
142.07784	1.1
143.08577	3.1
145.10143	13.3
147.08005	2.1
147.11694	20.6
149.09627	27.2
149.13170	1.1
153.09152	1.8
155.08638	1.5
156.97441	2.8
157.10132	2.4
159.08147	1.0
159.11711	9.7
161.11996	1.2
161.13258	6.3
163.11185	3.6
165.09135	1.2
169.12228	1.8
171.11685	3.5
173.11815	2.0
173.13281	5.7
174.98581	1.5
175.11188	1.4
175.14847	1.8
177.12753	1.8
179.14377	1.2
183.11656	2.5
185.13298	2.5
187.14774	1.4
197.13312	2.3
203.14230	1.1
211.14868	1.5
212.31276	0.9
213.00154	7.5
214.00423	1.1
215.17935	1.6
219.17381	4.9
227.85855	1.0
229.19492	5.9
233.15361	1.3
239.17944	3.1
247.20580	3.6
250.54134	1.1
257.19049	10.9
275.20081	100.0
275.27643	7.2
276.20349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.4
55.01865	3.2
55.05516	12.8
55.79905	0.7
57.03430	1.5
65.03929	1.0
67.05163	1.6
67.05507	21.1
69.03431	1.4
69.07069	9.5
70.09677	3.4
71.04981	2.4
79.05053	1.4
79.05495	21.7
81.03416	1.2
81.07063	23.8
83.04963	2.7
83.08616	5.9
85.06532	1.1
91.05483	36.9
93.07049	22.3
95.04958	3.9
95.08614	17.2
97.06568	3.9
97.10164	2.7
100.87347	0.8
103.05458	1.5
105.07035	56.1
107.04970	5.1
107.08597	16.9
108.08901	0.9
109.06537	4.9
109.10175	6.3
111.08058	1.8
115.05433	1.0
117.07012	10.4
119.08589	34.7
121.06528	3.7
121.10143	8.8
123.08076	2.5
123.11656	2.0
125.09622	1.5
129.06990	3.4
131.08582	15.9
133.06534	1.7
133.10138	37.7
135.08029	4.2
135.11671	3.8
137.09613	3.9
141.06924	0.9
143.08583	2.3
144.09415	0.8
145.10127	15.5
147.08028	2.4
147.11694	20.0
149.09619	6.3
149.13260	1.9
151.11162	4.2
154.07857	0.8
155.08565	1.7
157.10141	3.1
159.11700	9.9
161.09682	1.3
161.13272	5.8
163.11168	7.2
163.14871	0.9
165.09155	1.2
165.12767	1.8
169.10146	2.1
171.11684	2.5
173.09625	0.9
173.13300	4.2
175.11188	2.2
175.14862	2.2
177.12750	2.1
179.10561	0.9
183.11739	2.3
184.84735	0.8
185.13239	0.9
187.11182	1.1
187.14804	1.7
191.14362	1.0
193.12279	1.2
197.13255	3.2
201.12692	1.2
211.14877	1.0
215.14345	1.7
215.17964	1.7
229.19475	5.4
233.18980	1.0
239.17964	7.4
247.20613	3.4
257.19003	11.1
265.81821	0.9
268.27805	0.8
275.20074	100.0
276.20605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03948	1.5
55.01866	3.5
55.05261	0.9
55.05516	14.6
57.03445	1.7
57.07066	0.8
58.08629	0.8
65.03919	1.2
67.05165	1.3
67.05511	20.9
69.03425	1.3
69.07070	9.7
69.34702	3.0
69.35130	4.2
69.57554	0.8
71.04984	2.2
75.57691	0.7
79.05501	23.2
81.07058	20.2
83.04978	2.4
83.08637	6.0
85.06539	1.6
91.05486	39.2
91.06071	1.8
93.07053	27.5
95.04958	3.2
95.08027	1.5
95.08609	15.0
97.06508	5.0
97.10174	4.4
98.21564	1.0
99.08106	1.0
103.05453	1.6
104.76795	0.8
105.07036	52.1
107.04979	1.7
107.08596	20.5
109.06518	3.1
109.10178	6.4
111.08086	3.4
116.06239	0.9
117.07031	9.9
118.07716	0.7
119.08588	38.1
121.06522	3.4
121.10151	13.0
123.08073	2.7
123.11726	1.3
125.09621	2.1
129.06999	3.2
131.08562	16.2
133.06491	1.9
133.10139	36.2
135.08046	4.6
135.11653	4.5
137.09631	4.7
141.07018	1.8
143.08582	2.8
145.10124	17.7
147.08046	2.3
147.11694	16.5
147.12788	1.5
149.09625	14.7
149.13324	1.8
151.11205	4.3
155.08606	2.1
157.10107	4.6
159.08096	1.1
159.11694	10.2
161.09613	2.2
161.13293	5.3
163.11179	7.3
165.12749	2.7
169.10040	4.0
169.23543	0.8
171.11732	4.6
173.09625	2.0
173.13263	5.6
175.11188	3.0
175.14857	1.2
177.12753	2.1
179.14377	1.0
183.11707	3.2
185.13266	0.9
187.11205	1.8
187.14896	1.2
189.12802	2.7
191.14194	1.2
197.13257	4.0
201.12852	1.7
211.14810	1.5
213.16338	1.9
215.14372	1.3
215.17999	3.0
229.19550	4.4
231.11681	0.9
233.15308	1.2
239.17961	11.6
241.21411	0.9
247.20667	2.6
257.19016	12.5
260.15829	1.1
275.05115	1.0
275.20093	100.0
275.27725	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03931	1.8
53.06125	1.1
53.53583	0.9
55.01869	1.9
55.05246	1.3
55.05513	15.4
57.03426	2.2
61.10354	1.2
65.03950	1.5
67.05171	1.4
67.05511	20.5
69.07069	11.2
70.03582	4.0
71.04969	2.6
76.68285	0.9
79.05048	1.5
79.05499	27.5
81.03419	1.3
81.07063	21.3
83.04971	2.7
83.08605	4.3
85.06534	1.9
91.05485	43.2
93.07059	20.1
95.04975	3.4
95.08621	12.6
97.10163	1.6
103.05447	1.9
105.07035	60.9
107.04992	6.7
107.08595	14.6
109.06504	2.8
109.10162	8.8
115.05449	1.3
117.07029	14.2
119.08592	38.8
119.09451	2.2
121.06504	2.9
121.10154	7.6
123.08068	2.3
123.11654	1.6
129.07007	3.0
131.08594	15.9
133.10135	36.1
135.08054	4.2
135.11691	4.5
137.09608	1.7
141.07051	1.2
143.08540	1.9
145.10133	12.2
147.11696	24.5
149.09650	8.0
149.13312	1.8
155.08495	1.2
157.10124	1.2
159.11685	9.0
161.13278	6.4
163.11163	1.3
169.10205	2.3
171.11662	3.4
173.13284	8.9
175.11189	1.5
175.14839	1.3
177.12813	1.6
187.11154	1.6
187.14821	2.0
197.13326	2.5
199.14894	1.2
215.14165	1.2
229.19492	1.7
233.15370	1.3
239.17946	3.4
247.20615	3.7
257.19019	6.8
275.20084	100.0
275.27805	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	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85033	16.9
70.95308	32.4
73.53449	14.7
81.75703	18.2
97.02882	15.8
101.00909	83.9
113.00960	17.2
118.08680	19.4
119.01937	81.6
119.51389	15.7
131.01898	21.5
143.01891	65.5
155.01826	33.0
161.03043	100.0
173.03008	23.6
175.04527	24.5
185.02977	38.6
197.02995	31.0
212.56503	16.3
245.05063	73.0
277.03156	73.8
277.07611	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00444	4.9
56.12941	5.5
56.96550	5.9
69.88682	24.0
71.85046	5.1
82.99851	7.5
97.02891	7.0
98.97586	6.0
99.18935	5.3
101.00888	60.1
111.71917	4.7
113.00842	4.6
116.98638	4.8
119.01920	53.3
122.24235	5.3
127.02425	8.3
131.01894	14.5
133.03416	7.4
143.01904	61.8
145.03441	16.6
155.01903	16.4
156.87630	4.5
157.03455	20.6
161.02968	100.0
169.55641	4.6
173.02960	12.9
175.04482	8.1
176.08234	6.7
185.02968	16.6
187.04588	12.1
197.02957	11.0
197.78102	5.0
203.04092	8.9
203.73109	4.7
232.07126	7.1
245.05086	43.8
277.03271	9.7
277.07608	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09066	13.1
69.72058	82.9
73.51229	13.7
98.20858	28.5
101.00874	68.9
103.00679	17.5
113.00887	15.7
118.08646	21.6
119.01888	69.6
121.01662	17.9
131.01910	30.5
143.01927	66.1
145.01730	13.6
145.03477	17.4
147.03139	15.6
155.01889	36.3
156.64584	13.6
157.03423	22.4
161.02951	100.0
171.03223	17.8
173.02992	19.8
175.04419	15.0
185.03003	30.1
189.04361	17.7
197.03018	33.5
222.42226	16.9
245.05066	57.7
277.03247	27.0
277.08826	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	277.166
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
51.02372	0.2
55.03000	0.2
55.05502	0.8
56.05034	0.6
56.96569	0.8
57.03444	0.5
57.07077	0.8
60.05652	2.7
61.02930	0.3
67.05506	0.3
69.03431	1.8
69.07056	0.9
69.47098	2.0
70.06607	1.3
71.05033	0.2
72.08160	9.6
73.02911	0.4
79.05510	0.6
81.03430	0.5
81.07053	0.7
82.06586	2.9
84.04525	0.6
84.08163	1.3
84.96028	0.3
85.02909	5.7
86.09693	1.2
89.10806	1.3
91.04956	0.5
91.05490	6.0
91.06062	0.4
93.07035	0.4
97.02882	1.0
97.06522	0.3
97.07656	2.2
98.06040	0.9
98.09688	0.3
98.97590	1.1
105.07048	0.4
107.05006	0.3
107.08635	0.4
109.02885	0.3
110.97540	0.3
114.10297	21.2
115.05479	0.3
115.08694	2.4
116.98632	0.4
117.03400	0.3
118.06542	0.8
119.04950	20.5
120.08128	0.7
121.06524	0.6
127.03918	1.6
128.06189	0.5
128.07089	5.4
128.98665	0.3
129.10233	0.4
130.05014	0.4
130.06535	0.3
131.04886	0.3
131.12926	4.1
132.08075	0.3
135.04454	0.6
135.08202	0.3
135.11710	0.3
137.05968	0.3
144.08115	0.3
145.02820	0.4
145.05060	0.4
145.06288	0.3
146.06039	1.1
147.04414	100.0
148.04758	0.4
151.03891	1.1
157.10896	0.5
158.09651	0.3
162.02209	0.3
163.03944	1.2
168.08095	0.9
170.06061	0.3
176.07045	0.3
177.05553	0.7
186.09161	1.1
188.07094	0.9
189.07411	0.8
206.10094	0.5
213.10484	0.3
213.12384	0.7
217.13394	4.0
218.11768	4.2
230.61404	0.3
232.07629	0.3
234.99005	0.4
235.04546	0.3
235.14401	0.9
235.16896	0.7
242.57104	0.3
249.02852	0.4
259.06183	0.4
259.11340	1.3
259.13425	0.3
260.13968	8.8
277.16605	49.2
278.16904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.46393	1.1
53.03945	7.2
55.01872	6.2
55.05518	20.9
56.96556	1.5
57.03441	2.0
57.07064	5.4
65.03933	2.3
67.05511	46.6
69.03417	1.4
69.06763	1.5
69.07081	18.8
70.02201	5.2
70.02579	2.4
71.04992	3.5
71.08633	15.0
74.89182	1.1
77.03926	1.8
79.05503	55.5
81.03428	8.4
81.07063	44.1
83.04986	5.8
83.08631	10.8
85.02888	1.6
85.06543	4.3
91.05489	30.9
93.07053	74.6
95.04974	16.5
95.08615	27.8
95.95226	1.3
97.06521	5.4
97.10174	3.3
99.08099	10.5
105.04517	1.3
105.07037	22.6
107.04951	4.5
107.08601	34.7
109.06511	6.9
109.10162	14.6
111.08073	4.8
117.07006	6.1
119.08582	16.8
121.06521	4.1
121.10151	22.9
123.08087	2.9
123.11718	5.1
125.09602	1.8
129.06989	3.1
131.08580	5.5
133.10136	13.9
135.08095	3.1
135.11708	22.2
137.09625	3.3
137.13240	1.7
141.12737	3.5
143.08553	4.6
145.10092	7.7
147.11719	12.0
149.09599	2.4
149.13257	16.2
151.11203	11.1
157.10156	2.5
159.11710	3.7
161.09648	2.1
161.13245	8.4
163.11183	10.7
163.14859	6.6
165.12753	3.0
171.11703	4.6
173.13283	3.2
175.11343	1.5
175.14886	4.2
177.12689	2.1
179.14337	4.6
181.12187	1.6
184.68405	1.4
185.13222	4.2
189.12794	3.2
193.12311	1.8
195.13885	1.8
199.14888	2.5
207.13841	3.2
217.19621	1.7
221.15369	4.6
231.21112	2.0
235.16991	2.8
241.19521	5.3
249.22169	1.8
259.20645	9.5
277.21649	100.0
278.22076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03954	5.8
55.01853	3.4
55.05513	23.7
57.03434	10.0
57.07060	3.2
58.91715	1.1
65.03935	1.8
67.05506	41.5
67.53672	1.2
69.07073	22.6
69.53565	9.3
70.81406	1.3
71.04974	3.4
73.06533	1.3
79.05497	66.9
81.07062	48.1
83.04984	2.6
83.08621	11.2
85.06521	4.1
91.04975	1.3
91.05485	29.9
93.07050	100.0
95.04983	6.9
95.08610	37.9
97.06525	3.4
97.10152	4.2
98.20804	2.8
99.08092	2.5
105.04501	1.7
105.07040	23.7
107.08601	60.1
109.06516	2.9
109.10168	13.0
111.08068	3.6
113.09608	1.7
117.07020	4.7
119.08585	15.1
121.06509	1.6
121.10147	49.3
123.08052	4.2
123.11720	4.2
125.09580	1.8
129.06993	3.2
131.08572	8.1
133.10126	13.5
135.08058	1.2
135.11703	48.4
137.09576	3.3
143.08546	2.5
145.10133	8.3
145.15494	1.3
147.11707	12.4
149.09618	2.4
149.13263	27.6
151.11189	1.6
152.97232	1.2
153.09073	1.2
154.19090	1.3
157.10141	2.9
159.11691	5.0
161.13249	4.5
163.11125	2.6
163.14824	5.8
165.12784	1.9
171.11681	2.8
173.13264	3.0
175.14764	3.6
181.12228	1.7
185.13229	4.1
187.14818	7.3
193.12326	1.5
195.13779	2.3
199.14812	1.5
203.14366	1.8
205.15913	6.5
207.13817	2.7
209.15419	1.3
213.16365	2.8
221.15433	2.8
221.18956	1.6
231.21126	2.0
235.16914	4.1
241.19640	2.6
259.20657	7.9
277.21643	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02380	1.1
53.03953	5.7
55.01878	2.7
55.05521	21.6
56.96555	1.9
57.07081	43.5
57.64598	1.1
62.70337	1.2
67.05162	2.2
67.05512	38.1
69.03442	1.8
69.07076	19.1
70.07426	1.3
70.72485	2.3
71.05000	2.6
71.08646	1.9
74.10549	1.3
77.03896	1.4
79.05498	68.1
81.03421	3.0
81.07060	41.6
81.07436	1.0
81.65898	1.4
83.04982	2.7
83.08630	11.3
85.06555	1.9
89.08009	1.4
91.05487	31.6
92.66341	1.3
93.07053	84.6
95.04971	15.8
95.08607	27.5
97.06542	4.2
97.10175	3.9
99.08061	3.3
105.07030	21.5
106.07317	1.6
107.04942	2.0
107.08602	45.6
109.06518	4.6
109.10159	10.2
111.08093	2.5
117.07011	3.0
119.08584	11.5
120.08933	1.9
121.06486	2.5
121.10159	37.8
123.04436	2.1
123.08089	2.6
123.11716	4.0
125.09681	1.8
129.07072	1.7
130.27533	1.2
131.08571	3.4
133.10159	15.2
135.08057	2.4
135.10672	2.5
135.11705	45.6
137.09581	2.8
137.94800	1.3
143.08575	2.9
145.10127	4.3
147.08029	1.6
147.11725	9.3
149.02463	1.6
149.09619	2.5
149.13283	18.3
151.11185	5.3
157.10109	1.5
159.11717	4.8
161.09671	1.8
161.13315	4.0
163.07542	1.6
163.11200	4.1
163.14856	4.0
165.12810	2.7
171.11729	2.6
173.13248	2.9
175.11201	3.2
177.12764	2.2
179.10686	25.7
181.12253	1.6
185.13261	2.9
189.12794	1.7
189.16383	1.2
191.77121	1.1
195.13768	2.0
198.13789	1.5
199.14795	2.5
207.13889	1.9
213.16382	2.0
217.15903	2.1
219.13832	5.0
221.15456	4.2
235.16939	100.0
241.19504	3.0
259.20535	5.1
277.03510	1.8
277.18015	92.0
277.21591	73.6
277.28061	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03948	6.0
55.01888	1.2
55.05513	16.6
57.07083	2.2
61.57413	0.9
65.03926	1.7
67.05171	2.2
67.05510	32.7
69.07072	13.3
69.30007	9.9
71.08587	1.2
77.03920	1.6
79.05497	74.9
80.18825	1.0
81.07062	35.2
83.04974	1.5
83.08634	6.6
85.06536	2.0
91.04951	1.8
91.05485	26.0
93.07050	100.0
95.04994	5.7
95.08611	21.6
97.06550	1.3
97.10170	3.9
97.93594	0.9
105.04507	1.7
105.07032	13.7
107.08601	50.9
109.06511	2.5
109.10143	10.1
117.07005	2.8
119.08600	10.9
121.10146	43.5
123.11687	2.4
129.06981	2.3
131.08527	4.7
133.10127	12.1
135.08086	1.3
135.11702	46.0
143.08569	2.1
145.10135	2.0
147.11705	5.5
149.09628	2.6
149.13269	21.8
157.10091	1.4
159.11684	3.4
161.13298	5.3
163.11182	1.0
163.14828	3.5
171.11720	3.0
173.13200	2.6
175.14819	2.0
177.12807	1.3
181.12216	1.6
185.13275	3.3
189.12712	1.0
195.13795	1.9
199.14828	1.5
207.13745	1.6
213.16237	1.6
218.81870	1.1
221.15338	2.7
231.17380	1.5
235.16927	4.7
259.20615	4.1
276.47876	1.2
277.21631	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	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03945	7.2
55.05515	16.2
57.07068	2.4
65.03913	2.5
67.05508	29.5
69.07073	14.0
69.23090	13.4
69.23498	2.7
77.03951	1.7
79.05495	74.9
81.07058	31.1
83.04955	2.0
83.08617	7.7
91.05490	28.4
93.07048	100.0
95.04952	4.2
95.08608	26.4
97.10161	2.8
105.07046	13.0
107.08598	47.1
109.06503	2.1
109.10146	12.7
117.07002	2.9
119.08589	10.6
121.10154	42.7
123.11668	2.8
131.08548	4.3
133.10132	12.0
135.11697	59.0
145.10126	4.3
147.11662	6.8
149.09618	2.0
149.13261	21.4
153.09090	1.5
159.11729	2.1
161.13242	3.8
163.11180	1.5
163.14801	6.5
171.11630	3.0
173.13246	1.7
175.14842	2.4
181.12216	1.9
185.13342	2.2
185.16061	1.3
193.12398	2.1
199.14792	1.6
207.13765	2.9
213.16434	2.2
221.15382	2.3
235.16971	2.9
241.19658	1.7
259.20557	2.8
277.21631	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.16187	1.2
53.03732	1.8
53.03946	22.1
55.01878	8.0
55.05260	1.9
55.05512	37.6
57.03432	2.6
57.07071	12.0
58.08679	1.2
65.03931	2.8
67.05503	85.4
68.67294	1.2
69.03422	2.7
69.07067	47.7
71.04980	5.2
71.08631	15.0
79.05493	66.2
81.03419	85.3
81.07057	83.8
83.04972	17.8
83.08618	14.0
85.06551	4.7
85.10180	2.5
91.05479	47.6
93.07045	79.2
95.04968	54.6
95.08604	38.6
95.09219	1.4
97.06519	5.1
97.10179	6.1
99.08084	9.5
105.04520	1.2
105.07026	33.9
107.04941	3.1
107.08591	43.0
109.06529	11.7
109.10155	22.4
111.08074	5.0
113.09622	2.7
117.07032	6.8
119.08572	26.4
121.06512	5.9
121.10149	20.1
123.08064	4.5
123.11707	7.7
125.09654	9.7
129.07011	4.1
131.00150	1.8
131.08553	9.6
133.10138	26.5
135.08057	5.3
135.11696	18.1
137.09579	3.0
137.13266	2.4
143.08551	3.5
145.10121	5.5
147.03020	1.4
147.08072	2.2
147.11682	21.3
149.01257	2.2
149.09605	3.0
149.13268	13.1
151.11185	47.0
153.09106	3.7
153.12674	1.5
156.03636	4.2
157.10129	4.6
159.11668	3.6
161.09615	3.5
161.13266	18.8
163.11139	2.0
163.14841	7.3
165.12730	21.0
171.10321	2.1
171.11623	8.2
173.13269	3.5
175.11186	2.5
175.14746	6.7
177.12769	3.6
179.10699	3.3
179.14282	10.7
179.55492	1.2
181.12230	3.0
185.13246	4.1
189.12723	4.5
193.12201	3.2
195.13826	1.4
198.86240	1.2
203.17825	1.2
207.13863	7.1
217.19533	3.5
221.15352	3.8
231.21074	12.6
234.51926	1.5
235.16933	8.3
241.19492	7.4
249.22173	7.3
259.20547	12.1
277.18259	5.8
277.21613	100.0
278.22073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03941	4.2
55.01856	2.6
55.05261	1.5
55.05513	19.0
55.97448	0.7
57.03448	1.9
57.07077	4.6
65.03937	2.2
67.05505	42.2
69.03424	0.9
69.07070	17.4
69.90484	2.3
69.90889	2.7
71.04619	0.8
71.04980	3.3
71.08633	20.9
73.06517	0.9
77.03905	0.9
79.05495	67.9
81.03420	5.1
81.07058	59.2
83.04990	5.4
83.08614	8.7
85.02906	1.0
85.06538	2.3
91.05482	32.3
93.07047	100.0
95.04971	8.9
95.08607	35.8
97.06525	6.4
97.10133	4.0
98.21404	1.4
99.08100	15.6
105.04493	2.1
105.07032	19.9
107.04940	2.3
107.08595	51.7
109.06503	3.8
109.10157	12.2
111.08096	2.1
113.09605	0.9
117.07017	4.4
119.08571	13.7
121.06512	2.0
121.10149	45.8
121.24357	0.9
123.08041	2.3
123.11692	4.5
125.09631	1.2
129.06966	2.6
131.08551	6.7
133.06467	0.8
133.10129	9.7
135.08051	2.3
135.11697	55.9
137.09622	3.3
139.11211	1.1
141.09056	2.1
143.08546	2.9
145.10141	7.1
147.11687	7.9
149.09653	1.5
149.12151	1.5
149.13263	17.2
151.11183	12.1
157.10110	2.3
159.11705	3.2
161.09567	1.1
161.13246	8.6
163.11191	4.9
163.14842	4.0
165.12793	1.6
167.10661	2.8
171.11700	3.1
173.13295	2.1
175.14784	2.5
177.12729	2.5
179.10803	1.3
179.14320	24.9
181.12213	1.8
185.13249	2.8
189.12811	1.9
195.13821	2.8
199.14854	1.6
205.15814	1.4
207.13734	1.5
213.16287	1.3
217.15895	1.1
220.84413	0.9
221.15317	4.7
235.16905	6.6
241.19476	2.2
259.20596	5.5
277.18427	3.3
277.21628	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02374	1.0
53.03935	4.0
55.01879	9.7
55.05513	23.4
56.96561	2.3
57.03423	2.1
57.07068	5.0
59.04964	1.2
63.23400	0.8
65.03933	2.1
67.05507	43.8
69.03397	1.1
69.07078	16.6
71.04980	4.1
71.08635	14.3
71.11676	2.2
77.03925	1.7
79.05496	46.0
80.52364	0.8
81.03403	4.1
81.07056	45.4
83.04977	5.9
83.08618	11.3
85.06525	4.5
85.10170	2.3
89.33784	1.1
91.05484	29.9
93.07046	63.8
95.04977	12.0
95.08037	1.8
95.08612	30.2
96.57706	0.8
97.06527	7.5
97.10162	4.0
99.08087	11.2
100.41555	1.0
105.04498	1.4
105.06364	1.8
105.07033	24.8
107.04961	3.7
107.08601	34.2
109.06527	5.6
109.10137	13.5
111.08077	10.9
113.09649	2.2
115.90659	0.9
117.07018	4.5
119.08585	14.9
121.06496	3.3
121.10139	19.3
123.08086	4.9
123.11697	4.5
125.09625	1.9
128.06183	1.1
129.06999	3.6
131.08540	5.5
133.06471	1.4
133.10130	15.9
134.65198	1.0
135.08060	3.6
135.11705	23.2
137.09599	2.8
137.13246	2.7
139.11191	2.5
141.12761	4.5
143.08545	4.6
145.10132	7.4
147.08040	1.4
147.11703	13.8
149.02313	3.2
149.09608	4.2
149.13264	11.5
151.11214	7.8
153.12712	3.2
157.10135	3.6
159.11671	3.4
161.09625	1.5
161.13249	10.7
163.11197	10.4
163.14832	4.2
165.12730	7.4
169.12239	1.5
171.11688	5.5
173.13264	1.7
175.11127	1.6
175.14818	4.5
177.12848	1.9
177.16286	1.0
179.10698	1.1
179.14305	5.5
181.12273	0.9
185.13219	4.3
187.03906	1.8
189.12785	2.5
189.16344	1.7
191.14290	1.2
193.12248	1.8
199.14757	1.4
203.14348	1.7
207.13834	3.8
213.07898	1.7
213.16376	1.5
215.03464	1.0
217.19534	1.1
221.15414	3.1
231.21112	2.8
235.16937	2.8
241.19470	5.6
249.22141	4.2
254.11372	1.0
259.02328	1.1
259.20569	14.4
277.03378	2.3
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1752
Annotation	Grandisine C
Peak:m/z	Relative Intensity
53.03924	1.5
55.05517	8.5
56.96576	4.8
57.03431	6.6
57.07076	1.8
61.24932	0.8
61.65177	0.8
67.05511	8.6
68.05846	1.8
69.03426	3.1
69.07059	2.4
69.31419	1.8
69.31824	5.9
70.07398	1.4
71.05026	0.8
79.05502	6.1
80.05005	2.1
80.05817	1.7
81.07056	8.4
82.06585	1.7
82.07388	2.6
83.08624	1.9
84.08951	0.9
85.99186	0.7
87.04472	18.3
87.65253	0.9
91.05486	3.8
92.05802	2.1
93.07040	7.9
94.06567	11.2
94.07391	3.2
95.04982	1.1
95.08611	6.0
96.08927	2.3
98.97584	4.3
105.07026	3.8
106.06554	2.3
106.07325	1.9
107.07359	1.7
107.08598	3.0
108.08164	1.3
108.08920	2.9
109.10156	1.3
111.15025	1.0
116.98630	3.1
117.07034	1.6
119.08579	3.1
120.08118	5.7
121.10167	2.3
122.09672	7.0
130.06615	0.9
131.00206	1.5
131.08606	1.3
132.08055	2.8
133.08858	0.9
133.10092	0.9
134.09625	7.7
134.10463	1.4
135.11717	1.6
136.07599	3.2
136.11206	7.1
136.12053	1.5
145.10098	1.0
146.09654	1.6
147.11693	1.2
148.07567	4.4
148.11150	1.7
149.01239	1.6
149.02354	7.2
149.08357	3.5
150.09137	9.4
157.10069	1.1
158.99623	2.3
160.11134	4.8
161.08377	2.4
162.09154	17.9
166.08623	1.7
170.09726	1.2
174.09169	2.0
174.12802	1.1
176.10715	1.6
177.00766	2.5
178.08667	1.5
180.10211	7.3
186.12671	1.3
188.10733	9.0
190.12277	20.5
192.10240	3.2
192.13812	3.1
199.06433	1.2
200.10773	1.8
202.12241	1.0
204.13913	4.1
206.11777	35.2
206.13725	1.8
207.12489	0.9
208.13348	7.6
214.09866	0.9
218.11787	24.2
220.13458	1.3
221.14104	1.3
222.14850	7.5
224.12740	0.9
236.12825	11.8
241.07520	0.8
242.15463	3.0
255.09047	5.4
260.16473	25.0
260.20731	1.3
273.10062	2.1
277.65036	0.9
278.17542	100.0
278.22098	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	278.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
54.04277	1.2
55.01868	6.1
55.05511	12.8
56.02186	1.3
56.05859	5.6
56.96577	9.0
56.96820	1.9
57.03424	1.5
57.07069	3.2
61.60948	1.0
65.03937	1.3
67.05164	1.9
67.05511	34.2
68.05836	9.3
69.07067	10.8
70.07397	4.1
71.04986	2.4
71.08634	10.4
71.42228	2.6
72.08961	4.5
79.05502	35.2
80.05826	17.4
81.03412	4.9
81.07060	30.0
82.07394	11.4
83.04988	3.1
83.08624	6.7
84.08941	3.5
85.06536	2.1
91.05489	18.4
92.05814	12.0
93.07050	39.8
94.07384	24.0
95.04937	5.3
95.08622	19.2
96.05315	4.0
96.08952	11.5
97.06522	2.5
97.10159	3.0
98.06894	2.3
98.10491	2.2
98.97588	3.3
99.08107	8.0
100.08439	6.0
105.07040	11.2
106.07362	7.9
106.59788	1.2
107.04958	3.2
107.08597	18.0
108.08929	15.9
109.06522	4.8
109.10143	8.7
110.10515	5.6
111.08107	3.3
112.08417	1.6
117.07025	4.6
118.07368	4.2
119.08609	7.8
120.08881	6.6
121.06514	2.7
121.10158	8.9
122.10471	10.3
123.08076	3.6
123.11707	1.4
128.98625	1.1
129.06979	1.5
131.08507	2.9
132.08904	3.2
133.10117	5.2
134.10449	8.2
135.08032	2.2
135.11722	13.4
136.08409	1.6
136.12035	14.3
139.11186	1.5
141.12772	1.8
142.13113	2.0
143.08546	1.8
144.08916	2.5
145.10136	3.2
146.10461	4.0
147.11685	3.4
148.12032	7.4
149.02351	9.1
149.13266	6.8
150.13606	7.9
151.11162	3.8
152.11549	5.6
157.10201	1.2
158.10469	2.5
160.12048	2.2
161.13268	3.2
162.09976	1.7
162.13660	7.5
163.11208	4.3
164.11520	7.6
164.15196	4.1
165.12785	1.7
166.13098	2.1
171.11580	1.4
172.12056	2.6
174.13683	1.3
176.11525	2.0
176.15187	3.5
178.13162	1.4
179.14330	1.7
180.14648	1.6
186.13632	2.9
190.13113	1.8
199.06398	2.8
200.15201	2.5
208.14207	2.0
217.07475	3.0
218.19870	1.4
222.15746	2.3
232.21346	2.4
236.17250	2.2
242.19885	4.9
255.08989	7.6
255.12646	3.3
260.20984	11.5
273.10162	5.2
278.11307	1.6
278.21994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62172	0.5
50.96435	0.6
54.26904	0.6
56.96568	11.3
57.07064	1.5
69.56202	4.3
71.95254	1.0
84.96027	0.8
85.79278	0.7
98.97585	100.0
102.96848	0.7
104.99291	1.1
110.97575	25.9
116.98625	44.5
121.02817	0.9
124.95534	0.7
128.98613	21.8
128.99559	1.4
133.68797	0.6
134.99655	11.0
140.00194	3.5
142.96519	1.1
146.99654	8.8
149.01155	0.7
149.02345	14.4
152.00211	1.5
158.01299	1.0
158.99660	33.0
160.97597	0.7
165.00781	0.7
170.99660	12.3
177.00720	40.0
182.99701	2.3
189.00708	23.8
192.55992	0.6
195.01816	2.4
200.02333	5.0
201.00783	4.7
207.01791	10.1
212.02356	1.8
219.01823	5.6
224.02316	0.8
230.03294	1.0
232.92778	0.8
232.96025	1.4
237.02773	6.7
249.02829	0.8
250.97198	1.5
255.03854	2.7
261.15793	0.7
279.03735	4.8
289.90604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27682	1.4
55.05511	2.5
57.07089	9.3
61.67382	1.5
67.05489	3.4
69.03413	2.6
70.38455	5.1
79.05513	3.1
81.07064	4.7
85.02907	2.9
86.09711	4.1
87.66837	1.6
91.05479	18.6
93.03384	1.8
93.07043	4.3
95.04978	2.3
95.08615	3.5
98.20669	1.7
98.97591	6.2
102.04688	3.6
103.05472	29.6
104.06213	2.8
105.07028	12.9
107.04956	5.1
107.08609	2.6
109.10161	3.0
112.58605	1.6
115.05468	55.5
116.06266	2.0
116.98663	1.8
117.07023	61.4
118.04190	9.9
119.04955	3.9
119.08588	3.7
120.08108	10.0
121.02870	5.3
121.06523	1.9
127.05437	7.7
128.06242	6.2
129.07036	5.6
130.04131	11.3
131.04950	24.5
132.05714	6.5
133.06519	14.6
133.10159	2.7
135.08067	2.5
143.04950	7.8
144.05696	3.0
145.06491	96.7
145.10165	1.9
146.03596	10.5
147.04454	9.8
147.08028	8.5
148.05219	3.6
149.02348	71.5
155.04803	2.3
155.06047	36.0
156.05704	11.0
157.06491	4.0
158.03717	2.7
159.04434	6.6
159.08064	2.0
160.05251	5.5
161.05994	22.9
162.03114	3.0
163.07530	3.3
166.08693	1.7
167.03427	2.0
167.07076	4.8
171.04472	2.0
173.05995	100.0
174.03143	5.2
174.06418	1.7
175.03946	8.1
175.07552	13.6
176.04675	7.8
177.00626	2.1
177.05563	3.7
178.06245	20.5
185.05940	2.0
189.05463	10.6
190.02773	1.7
190.06261	38.2
190.07913	2.7
191.07039	23.9
191.08638	4.7
192.07849	3.0
193.08629	17.5
201.05443	4.2
202.06296	2.4
203.03438	3.4
203.07019	5.5
204.04170	4.4
204.07753	2.7
205.04906	3.6
205.06676	1.9
205.08595	47.6
207.06482	2.8
207.10329	2.0
216.22449	1.8
217.05003	4.5
217.08577	13.2
218.05728	2.7
219.06482	38.2
220.03712	4.5
221.08134	2.7
223.09627	3.1
229.04825	2.2
231.06427	2.0
233.05954	2.6
233.08099	7.5
235.06030	20.6
235.09682	5.8
247.05869	3.4
251.10654	5.9
261.05002	2.0
261.07590	25.4
266.80597	1.7
279.08560	49.4
304.15186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27682	1.4
55.05511	2.5
57.07089	9.3
61.67382	1.5
67.05489	3.4
69.03413	2.6
70.38455	5.1
79.05513	3.1
81.07064	4.7
85.02907	2.9
86.09711	4.1
87.66837	1.6
91.05479	18.6
93.03384	1.8
93.07043	4.3
95.04978	2.3
95.08615	3.5
98.20669	1.7
98.97591	6.2
102.04688	3.6
103.05472	29.6
104.06213	2.8
105.07028	12.9
107.04956	5.1
107.08609	2.6
109.10161	3.0
112.58605	1.6
115.05468	55.5
116.06266	2.0
116.98663	1.8
117.07023	61.4
118.04190	9.9
119.04955	3.9
119.08588	3.7
120.08108	10.0
121.02870	5.3
121.06523	1.9
127.05437	7.7
128.06242	6.2
129.07036	5.6
130.04131	11.3
131.04950	24.5
132.05714	6.5
133.06519	14.6
133.10159	2.7
135.08067	2.5
143.04950	7.8
144.05696	3.0
145.06491	96.7
145.10165	1.9
146.03596	10.5
147.04454	9.8
147.08028	8.5
148.05219	3.6
149.02348	71.5
155.04803	2.3
155.06047	36.0
156.05704	11.0
157.06491	4.0
158.03717	2.7
159.04434	6.6
159.08064	2.0
160.05251	5.5
161.05994	22.9
162.03114	3.0
163.07530	3.3
166.08693	1.7
167.03427	2.0
167.07076	4.8
171.04472	2.0
173.05995	100.0
174.03143	5.2
174.06418	1.7
175.03946	8.1
175.07552	13.6
176.04675	7.8
177.00626	2.1
177.05563	3.7
178.06245	20.5
185.05940	2.0
189.05463	10.6
190.02773	1.7
190.06261	38.2
190.07913	2.7
191.07039	23.9
191.08638	4.7
192.07849	3.0
193.08629	17.5
201.05443	4.2
202.06296	2.4
203.03438	3.4
203.07019	5.5
204.04170	4.4
204.07753	2.7
205.04906	3.6
205.06676	1.9
205.08595	47.6
207.06482	2.8
207.10329	2.0
216.22449	1.8
217.05003	4.5
217.08577	13.2
218.05728	2.7
219.06482	38.2
220.03712	4.5
221.08134	2.7
223.09627	3.1
229.04825	2.2
231.06427	2.0
233.05954	2.6
233.08099	7.5
235.06030	20.6
235.09682	5.8
247.05869	3.4
251.10654	5.9
261.05002	2.0
261.07590	25.4
266.80597	1.7
279.08560	49.4
304.15186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	1.8
55.05515	35.1
57.06803	1.0
57.07073	7.3
58.49115	1.0
58.99311	1.5
58.99588	17.5
65.03928	1.3
67.05493	1.8
69.03421	1.4
69.42530	3.7
69.42959	3.1
70.06587	1.7
72.08161	1.4
73.01144	1.8
73.02881	0.9
75.79594	1.0
76.02242	4.6
76.03986	4.1
79.05514	1.2
80.98656	0.8
81.07053	2.2
83.08626	26.4
84.08147	1.0
85.02892	2.2
86.09679	1.2
86.99061	11.6
87.04462	1.3
88.02216	3.6
91.05486	2.4
93.07060	1.1
97.02888	1.5
98.97598	5.1
101.09644	1.1
103.05476	1.3
105.06992	1.7
105.62747	0.8
110.97563	1.8
115.05434	1.0
116.01684	56.1
116.98607	2.4
117.03388	2.4
117.07034	1.6
119.04946	1.4
119.08542	1.1
121.02843	3.3
123.04388	1.9
128.98579	1.2
131.04895	1.9
133.06488	1.0
137.06055	1.3
144.01154	24.8
145.02867	5.1
145.06523	1.8
147.04387	3.4
149.02345	60.8
155.08980	0.9
157.06404	1.0
157.42787	1.0
159.04417	1.1
159.08360	7.4
159.81992	0.8
162.02205	100.0
163.03874	1.9
173.06009	1.5
177.00690	2.2
177.05490	9.1
181.04854	1.2
187.03909	0.9
191.03427	1.0
191.07036	1.7
195.36491	0.8
205.06731	0.9
205.08604	0.9
215.03365	1.4
217.08736	1.2
219.06499	1.7
233.06110	1.2
233.08049	1.9
251.06917	0.9
261.12476	1.7
262.11096	16.9
279.06339	1.1
279.08978	2.0
279.13455	3.3
279.17972	5.2
279.20615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05546	0.3
56.96581	0.3
57.05824	0.4
57.07083	1.4
58.06591	0.4
61.23242	0.2
61.50612	0.3
67.05500	0.5
69.07070	12.6
69.07449	0.6
69.87326	1.3
79.05492	0.5
81.07063	0.6
84.08148	0.4
85.02897	0.4
86.09708	100.0
87.10062	0.5
91.05489	1.1
93.07061	0.4
95.04972	0.3
95.08616	0.3
98.97577	2.1
103.05481	0.5
105.03384	0.7
105.07005	0.4
107.04984	0.3
107.08639	0.3
110.06028	0.3
110.97538	0.4
116.98653	0.4
117.07011	0.3
119.04958	0.4
120.08111	9.4
121.02856	0.9
121.10187	0.3
128.98659	0.3
131.04865	0.3
133.10143	0.4
135.04349	0.3
147.04436	0.9
149.02345	9.2
149.05963	0.3
158.99673	0.7
166.08644	5.6
167.04553	0.3
167.31764	0.3
170.99600	0.3
175.03934	0.4
177.00656	0.6
177.05534	0.8
203.17586	0.2
207.06764	0.3
216.31645	0.3
217.08575	0.3
233.16650	0.4
236.08234	0.3
239.46524	0.3
279.13788	0.3
279.17044	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07076	1.0
58.35098	0.5
69.07083	0.7
69.66422	3.3
69.82603	0.4
86.09710	100.0
89.52809	0.5
91.05489	1.9
93.07056	1.0
98.97610	1.0
103.05473	2.0
120.08112	40.2
121.02859	0.6
122.44228	0.5
144.36185	0.5
149.02335	8.0
158.99724	0.5
166.08655	9.6
193.61966	0.6
201.13124	0.5
233.16508	1.6
271.86041	0.4
273.68552	0.5
279.09964	0.6
279.17038	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.00317	0.5
53.03959	1.0
53.48346	0.5
55.01891	0.9
55.04438	0.5
55.05519	9.8
57.03434	1.1
57.07079	4.2
65.03944	2.2
67.05510	98.5
69.07074	9.4
69.42779	1.2
69.43179	3.2
70.38685	0.5
71.04997	1.4
71.08649	0.8
73.06577	0.5
79.05502	13.6
81.07064	100.0
81.87229	0.5
82.07414	0.6
83.04974	0.8
83.08630	6.4
85.06553	1.5
85.10184	1.1
91.05491	4.0
93.07053	13.1
95.05021	0.7
95.08614	81.3
97.06541	1.6
97.10182	4.2
98.97580	0.8
99.08112	0.7
105.07051	3.8
107.08610	9.2
109.06513	1.1
109.10168	46.9
111.08081	1.6
111.11700	0.8
113.09645	1.4
117.07021	1.3
119.08573	3.0
121.02879	0.8
121.06532	0.9
121.10146	7.5
123.08083	1.9
123.11720	23.6
131.08580	4.4
133.10173	4.6
135.08057	1.1
135.11699	5.7
137.09608	0.8
137.13272	7.7
145.10100	3.4
147.11653	2.8
149.02359	12.8
149.09665	1.8
149.13248	3.3
151.11191	1.2
151.14867	3.1
153.09105	0.7
155.10707	0.7
159.11731	1.8
161.13289	2.8
163.11145	1.7
163.14853	1.6
165.12791	1.5
165.16443	0.7
167.10732	0.8
167.14359	0.8
173.13269	4.0
177.12807	2.4
177.16457	1.0
179.14212	0.7
181.12241	2.1
183.13821	0.6
187.14859	2.8
191.14288	1.3
195.13826	2.3
201.04778	0.6
205.15843	1.2
209.15376	3.7
219.21132	1.3
223.16982	3.9
237.18561	0.9
243.21066	3.0
261.22183	4.5
279.19864	2.0
279.23209	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	0.9
55.01875	1.2
55.05513	6.9
56.96545	0.7
57.07079	1.7
57.74064	0.8
58.24244	0.6
65.03941	2.2
67.05506	98.0
69.07069	8.2
69.58044	0.7
71.08640	1.4
71.10868	1.5
79.05499	13.2
81.07059	100.0
83.04994	1.4
83.08618	4.7
85.06525	1.0
91.05481	4.4
93.07048	11.3
95.04984	0.9
95.08611	79.2
97.06521	1.4
97.10168	2.5
98.97584	1.1
105.07024	3.1
107.08586	7.9
109.06486	0.9
109.10159	27.0
111.08097	0.7
117.07030	2.4
119.08554	2.9
121.10149	6.7
123.08086	1.9
123.10829	0.9
123.11706	16.0
131.08548	5.5
133.10146	2.7
135.08026	1.4
135.11707	6.1
137.13252	13.1
139.11287	0.8
143.96175	0.7
145.10086	2.4
147.11699	2.0
149.02367	4.9
149.09607	1.5
149.13260	4.7
151.14857	3.7
158.99623	1.0
159.11700	3.2
161.13274	1.0
163.11182	1.5
163.14853	1.9
165.16367	0.6
167.10698	0.7
173.13290	4.8
177.12749	2.2
177.16345	1.0
179.14349	1.1
181.12242	1.7
185.22055	0.7
187.14830	3.3
190.15741	0.8
191.14326	2.5
195.13815	3.4
205.15895	0.8
209.15421	3.5
223.16895	2.5
243.21074	2.4
261.22131	2.7
279.23215	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.05286	0.9
55.05513	8.2
57.07069	3.9
62.83355	0.9
65.03925	3.7
67.05506	99.9
69.07070	9.3
70.08827	3.8
71.04980	1.0
78.05027	0.8
78.18135	0.9
79.05493	11.0
81.07058	100.0
82.07378	0.8
83.08618	5.5
85.10220	0.9
90.05573	0.8
91.05489	2.6
93.07056	9.4
95.08608	69.8
97.06529	0.9
97.10184	2.0
105.07058	2.0
107.08597	7.4
108.77105	0.8
109.06506	1.4
109.10155	45.1
111.11684	0.9
119.08605	1.9
121.10140	6.1
123.08084	1.0
123.10798	1.3
123.11709	27.5
131.08554	3.1
133.10178	2.3
135.11685	4.7
137.13249	9.9
145.10114	1.9
147.11638	1.9
149.02351	14.0
149.13261	2.2
151.11162	1.0
151.14859	2.5
159.11671	2.4
161.13246	1.4
163.11143	1.5
163.14821	1.5
165.12743	0.9
173.13242	2.5
179.14415	0.8
181.12253	1.4
187.14812	2.0
195.13748	2.2
195.94293	0.8
201.16545	0.9
209.15425	1.6
223.16975	2.4
237.18472	1.7
243.21143	1.1
261.22159	4.2
279.09314	1.6
279.23215	33.8
279.26315	1.9
280.23611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03930	0.9
55.05520	7.6
57.07066	2.1
65.03923	2.3
67.05510	100.0
69.07072	9.3
71.03812	2.4
73.11943	0.8
78.83739	0.7
79.05508	10.7
81.07062	94.3
83.08606	3.8
85.06531	2.1
91.05486	3.6
93.07062	10.6
95.08613	78.5
97.06544	1.6
97.10165	2.8
105.07013	1.6
107.08599	8.1
109.06504	1.1
109.10161	24.1
117.07008	1.9
119.08617	2.1
121.10126	6.4
123.08057	1.3
123.11716	14.6
127.66428	0.9
131.08549	3.8
133.10123	2.6
135.08075	1.4
135.11732	4.7
137.09615	1.0
137.13268	11.2
144.60211	0.9
145.10091	2.7
145.39665	0.8
147.11668	1.9
149.02335	3.9
149.09618	1.2
149.13258	3.9
151.14839	3.4
159.11687	3.3
161.13283	1.9
163.14790	2.1
173.13249	6.6
177.12753	1.7
181.12225	1.6
187.14803	3.2
191.14319	1.6
195.13922	2.2
209.15411	3.7
223.17024	2.2
243.21042	2.2
261.22174	2.1
272.09903	0.9
279.23221	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	8.3
55.01876	7.1
55.05513	40.7
56.91344	1.2
57.03179	2.3
57.03440	29.8
65.03937	3.1
66.90540	1.2
67.05506	86.1
67.91449	1.5
69.03426	2.5
69.06761	1.7
69.07071	17.5
71.04998	3.6
71.10217	1.6
73.06536	2.3
77.03908	1.5
79.05497	100.0
80.75655	1.4
81.03425	16.1
81.07062	69.0
83.04985	33.2
83.08627	9.2
85.06550	2.9
86.24286	1.6
90.03050	1.4
91.05484	75.2
93.07047	70.4
95.04968	27.8
95.08611	44.1
96.89500	1.4
97.02859	2.1
97.06521	6.4
97.10143	8.1
99.08134	1.5
105.04507	1.6
105.07033	55.1
107.04967	7.9
107.08595	25.8
109.06524	8.3
109.10152	9.4
111.08127	2.0
115.05477	1.4
117.07031	11.5
119.07790	1.9
119.08590	32.5
121.06502	4.3
121.10112	5.4
123.08069	7.6
127.07514	1.6
128.06200	4.6
129.07014	17.1
131.08539	3.8
133.10133	14.8
135.11682	3.8
135.45203	1.6
141.09099	1.5
143.08560	10.8
145.10106	11.5
147.08084	4.1
147.11693	38.6
159.11682	1.6
161.09610	8.4
161.13266	16.3
171.11690	27.2
189.12834	11.6
189.14497	2.3
207.13795	13.3
223.14589	1.6
281.17441	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
54.80537	1.6
55.01869	3.8
55.05513	31.5
56.96560	1.7
57.03439	23.9
65.03945	4.7
67.05508	76.6
67.05868	4.1
67.75507	1.7
69.03431	2.7
69.07070	14.9
69.77592	10.1
71.05000	4.9
73.06550	3.0
79.05500	100.0
80.57982	1.9
81.03431	14.9
81.07061	65.4
83.04982	34.1
83.08624	7.6
85.06545	5.2
89.28513	1.5
90.31318	1.6
91.05485	64.2
93.07053	69.9
95.04982	26.3
95.05558	3.3
95.08611	37.5
97.02917	2.5
97.06524	5.6
97.10163	5.1
98.97590	4.3
103.05466	2.0
105.04561	3.1
105.07037	53.8
105.07755	2.6
106.07388	2.7
107.04958	9.4
107.08607	22.5
109.06543	8.5
109.10169	8.1
114.30593	1.5
115.05500	2.1
117.07016	11.0
119.08594	29.3
121.10157	5.2
123.08080	9.5
127.07500	2.3
128.06252	2.8
129.07001	20.5
131.08583	3.0
133.10141	17.2
135.07968	1.8
143.08563	9.8
145.10121	11.9
147.08037	2.8
147.11693	39.7
159.11668	2.3
161.09659	6.9
161.13255	18.5
171.11696	32.8
176.41003	2.3
189.12694	12.5
207.13875	10.5
281.17505	38.9
281.20892	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	10.6
55.01884	5.8
55.05263	2.3
55.05516	34.2
56.96562	1.5
57.03440	29.5
57.07066	3.5
62.49046	1.1
65.03935	4.1
67.05509	85.9
69.03424	4.5
69.07074	17.4
71.04977	4.7
71.11710	2.5
73.06546	2.9
77.03889	1.7
79.05498	100.0
80.05833	1.3
81.03423	15.4
81.07063	67.8
83.04988	36.1
83.08627	12.3
85.06541	4.3
91.05488	72.9
93.07052	72.3
94.07370	1.1
95.04980	24.7
95.08613	44.6
97.02908	2.1
97.06534	7.9
97.10161	5.1
98.97611	5.7
99.08124	1.5
103.05511	2.0
105.04520	2.7
105.07035	50.8
107.04935	13.4
107.07950	2.0
107.08606	28.0
109.02862	1.6
109.06535	11.5
109.10162	9.6
111.08089	3.3
115.05463	2.2
116.98586	1.8
117.07024	11.0
119.08591	33.6
121.06499	4.4
121.10136	6.9
123.08083	9.5
123.11710	2.0
125.09634	1.4
127.07526	1.8
128.06207	3.3
129.07011	18.1
130.07761	1.5
131.08528	3.0
133.06540	1.2
133.10146	15.5
135.08035	3.5
135.11699	4.3
141.07022	1.4
143.08577	9.3
145.10114	11.8
147.08025	4.0
147.11694	37.5
149.09570	1.1
149.13277	1.7
159.11652	1.7
161.09630	5.3
161.13272	19.4
163.11192	1.6
171.11700	32.3
175.07407	1.5
189.12759	9.8
199.61699	1.3
207.13795	12.8
223.65868	1.3
263.09576	1.2
263.16397	1.5
263.23572	1.3
266.99701	1.3
281.12088	2.1
281.15039	2.4
281.17487	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.7
55.01868	5.3
55.05514	34.8
56.96556	3.7
57.03442	25.2
57.07082	3.2
65.03933	4.5
67.05510	86.1
69.03432	4.2
69.07074	19.9
69.85811	5.6
69.86233	2.7
71.04993	4.2
71.56411	1.1
73.02891	1.2
73.06583	1.9
77.03932	1.6
79.05499	100.0
81.03426	16.3
81.07063	66.1
83.04984	35.3
83.08633	12.3
85.02924	2.8
85.06540	6.1
87.04469	1.5
91.05486	67.9
91.28413	1.7
93.07050	73.3
94.06603	1.3
95.04976	27.8
95.08613	44.3
97.02917	1.9
97.06530	7.8
97.10181	5.9
98.20744	2.8
98.97575	9.0
99.08107	1.8
102.05911	1.5
103.05469	2.1
105.04523	3.2
105.07038	54.9
107.04973	10.4
107.08604	23.6
109.06540	11.9
109.10159	10.7
111.08063	1.9
113.02870	1.6
115.05453	2.4
115.07575	1.3
116.98614	3.3
117.07035	11.4
119.04953	2.4
119.08599	32.5
121.06511	4.5
121.10138	8.1
123.08084	13.0
123.11716	2.8
125.05975	1.6
127.07627	1.3
128.06255	2.8
129.07014	21.0
131.04912	1.9
131.08575	5.5
133.06480	1.6
133.10136	15.3
135.08096	3.2
135.11696	2.8
137.06047	1.8
137.09669	1.8
141.09142	1.7
143.08594	12.9
145.10136	11.2
147.08076	4.2
147.09210	1.6
147.11696	35.2
159.11745	1.6
161.05994	1.9
161.09683	6.4
161.13287	16.8
165.09134	2.3
167.10898	1.3
171.11707	29.4
171.13116	2.1
179.02393	1.6
189.12755	12.0
195.11830	1.3
207.13849	10.8
221.53279	1.3
238.18091	4.3
239.04401	4.0
257.27039	1.3
263.09146	2.1
263.16565	2.1
274.94250	1.5
281.05386	2.5
281.08127	2.4
281.14157	2.7
281.17404	37.2
281.22400	4.4
299.05908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14333	0.5
56.96569	11.8
58.42455	0.5
66.79811	0.5
71.57635	0.7
71.57958	0.5
71.95281	2.9
75.12171	0.5
93.21609	0.5
98.97589	100.0
99.33400	0.5
101.00885	1.1
116.98631	70.0
119.01939	3.2
119.02681	0.5
127.90740	0.5
133.08867	0.5
134.09619	0.7
134.99667	28.9
140.00238	0.8
153.00685	4.2
153.74342	0.5
158.01271	1.4
164.90434	0.5
177.00958	2.1
179.00711	0.9
201.01041	0.6
203.57515	0.6
209.18549	0.5
216.98668	0.8
219.00032	0.8
219.02034	10.6
220.02167	1.4
226.17906	0.6
234.99922	1.2
236.98552	3.0
240.98598	4.1
258.99765	51.2
259.99927	1.0
277.00809	74.1
278.01096	1.2
281.98245	0.5
282.01312	1.5
282.22095	0.8
282.27679	0.6
283.00031	1.9
300.02444	2.8
300.05875	0.8
301.01010	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	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26769	0.6
55.78801	0.6
56.05013	0.8
56.96563	12.9
57.03430	1.3
69.03424	2.8
70.06567	1.6
70.40838	2.6
71.95261	1.5
72.08144	1.2
73.02908	2.5
81.03414	1.3
84.08141	2.3
85.02912	4.3
86.09685	2.0
86.42511	0.7
87.04468	1.0
91.59302	0.7
97.02879	3.0
98.21403	1.0
98.97582	100.0
99.97913	0.8
101.00884	1.1
110.07158	0.9
110.97613	1.2
116.98620	51.0
118.08714	0.8
119.01916	2.0
128.98601	0.9
129.10291	0.7
129.29482	0.7
131.01878	1.1
134.99660	13.8
136.06183	1.6
136.07582	1.2
137.02995	0.7
140.00253	0.8
140.06866	1.4
143.01888	0.8
145.03474	1.1
146.06125	0.7
150.06546	1.6
150.07751	32.7
153.02190	0.8
158.99632	1.4
161.02966	0.7
163.03873	1.5
167.07112	0.8
171.01471	0.6
173.02948	1.4
177.00696	0.8
187.04549	0.7
191.54216	1.1
192.04971	0.9
200.04628	0.8
200.54643	1.2
219.01962	1.5
220.02229	1.1
234.99602	1.0
239.04315	1.1
240.05023	0.8
240.98692	3.2
258.99759	39.9
277.00812	55.9
278.00781	1.1
282.05386	0.9
282.08813	0.8
282.11926	2.2
291.10107	0.8
300.02341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.12
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
54.10997	0.2
55.01862	0.5
56.45256	0.2
56.96550	0.3
57.03448	1.2
57.04550	0.3
57.61613	0.2
61.02916	0.4
67.13486	0.2
69.03424	0.7
69.07056	0.3
70.06597	0.3
70.16901	0.8
71.01372	0.3
72.08134	0.3
73.02917	0.6
75.86330	0.2
79.05500	0.2
81.03426	0.3
84.08160	0.3
85.02924	1.2
86.09692	0.2
87.04482	0.2
88.03960	0.4
94.04059	1.0
97.02872	0.5
98.20822	0.3
98.21370	0.4
98.97579	0.7
101.20748	0.2
104.49722	0.2
108.04424	0.2
115.03946	0.5
116.98601	0.2
119.03556	0.2
120.04478	0.3
120.08096	0.4
121.02854	2.2
121.08430	0.6
123.06687	0.8
123.72962	0.2
133.05049	0.6
134.09697	0.4
136.06198	6.0
137.05911	0.3
150.07764	100.0
151.08076	0.4
163.04047	0.2
166.08682	0.2
167.08995	0.3
195.57115	0.2
236.09030	0.4
250.13089	1.3
252.48170	0.2
264.70648	0.2
282.09421	1.8
282.12024	10.3
282.15564	2.1
282.22177	0.6
300.06216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
53.32383	0.3
54.59232	0.3
55.01864	0.4
55.05518	0.5
56.96556	1.0
57.03432	0.9
57.08770	0.2
59.04997	0.8
61.02923	0.3
64.13075	0.3
67.05492	0.4
67.55983	0.3
69.03441	3.0
70.06593	0.9
71.04983	0.6
71.59148	0.5
73.06552	0.5
75.04490	0.3
81.03404	0.8
81.07066	0.4
82.05319	0.3
84.08125	0.5
85.02888	2.3
85.06589	0.3
87.04467	0.8
93.07015	0.5
93.95498	0.3
94.04057	0.4
96.04507	0.3
97.02890	1.0
97.75641	0.3
98.97579	1.1
101.06018	0.9
103.07570	0.7
109.02879	0.4
110.07161	0.3
111.04469	0.3
116.98636	0.5
119.03547	1.1
120.04464	0.8
120.08135	0.6
121.02870	3.1
122.07169	0.4
123.07996	2.6
124.07512	0.5
124.08337	1.7
127.03938	0.8
128.02473	0.3
129.05563	0.3
134.09616	0.7
134.99716	0.3
136.06194	100.0
137.04599	0.7
137.05896	0.5
145.04956	0.7
147.06538	0.5
150.07759	1.1
152.05733	0.3
163.03915	0.9
195.11334	0.9
236.09265	0.3
240.96065	0.3
268.00104	0.4
282.11606	3.9
282.19193	1.1
282.22226	1.1
300.06168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01864	5.7
55.05512	7.7
56.96577	19.6
57.03439	6.4
57.07082	3.5
57.72410	3.1
59.63237	3.1
61.02924	10.6
67.05491	8.2
69.03433	28.7
69.53524	3.3
70.06584	9.6
71.60291	4.4
72.08157	19.0
73.02916	6.8
73.08466	3.1
79.05505	5.9
81.03423	13.9
81.07047	4.6
84.04503	5.5
84.08140	11.1
85.02410	5.9
85.02908	96.1
85.06549	24.4
86.09689	3.8
91.03959	6.7
91.05470	18.1
92.05859	5.6
95.05014	7.5
97.02910	32.2
97.04247	3.2
98.97582	25.9
99.04469	6.8
107.04942	4.2
109.02870	10.3
110.97623	4.7
111.04424	6.8
116.98624	13.6
119.04935	6.9
120.04485	8.0
120.05314	5.6
120.08102	10.8
121.02878	74.8
121.06534	5.5
126.01092	5.0
127.03903	22.4
128.98564	7.3
134.09679	6.3
136.06180	35.2
136.07591	26.3
137.05963	8.0
137.07925	26.0
139.03915	6.5
145.04971	49.7
146.06033	4.3
147.04454	4.4
149.13280	3.5
150.07750	100.0
152.05679	10.0
158.99687	7.3
163.03940	11.6
163.05991	11.2
164.27161	3.4
167.06996	6.2
177.00729	8.7
182.81551	3.9
193.00133	3.6
218.05646	4.8
219.01842	4.9
229.10869	4.4
253.46167	3.9
264.06207	15.2
264.08725	4.3
264.12247	3.9
282.05002	3.9
282.09424	3.9
282.15039	5.5
282.18555	5.9
282.22150	15.9
282.27832	4.3
300.06186	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	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30525	0.2
55.05518	0.5
56.34048	0.2
57.03450	0.3
59.04993	0.7
61.02927	0.5
69.43962	0.9
69.44384	0.8
71.04994	8.4
79.05496	0.6
81.03430	0.3
81.07059	2.3
85.02905	0.4
88.03996	0.2
93.07072	0.4
95.04988	0.3
97.02869	0.3
98.97580	0.3
103.05442	0.2
109.05133	0.7
110.03516	3.9
113.09637	4.6
120.04467	0.6
120.08083	1.1
121.02859	2.8
124.07594	0.2
128.04567	1.5
134.04640	0.4
135.03024	4.9
146.06006	0.3
147.09134	0.5
148.09485	0.5
152.05675	100.0
153.02850	0.4
153.04083	7.0
153.06030	0.5
154.02528	0.2
159.06738	0.4
166.07277	0.5
166.08618	0.3
221.66747	0.2
232.11963	0.7
250.13051	0.7
264.09326	0.3
264.14081	0.2
282.12708	0.3
282.15561	9.6
282.22107	0.3
294.05890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
53.51494	0.2
55.05510	0.7
56.96565	0.2
57.03411	0.2
59.05020	1.1
61.02927	1.5
69.03405	0.2
71.05002	3.7
71.51197	0.4
73.38471	0.2
79.05507	1.4
81.03401	0.2
81.07065	5.3
87.08112	0.6
91.05492	0.4
93.07044	0.2
98.97585	0.3
99.08094	0.4
106.00841	0.2
109.05135	0.9
110.03546	3.7
113.09648	0.9
119.04898	0.3
120.04517	0.4
121.02873	1.0
128.04570	1.1
134.04631	0.4
135.03032	9.2
136.01427	0.3
139.45026	0.2
147.04280	0.2
148.06848	0.3
151.03847	0.5
152.05690	100.0
153.02850	0.5
153.04095	8.9
166.58801	0.2
207.06590	0.5
220.13327	0.4
227.69836	0.2
232.11972	0.8
250.13023	2.5
282.15637	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	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.96569	0.6
57.03439	1.3
60.55508	0.3
61.02935	0.6
67.05515	0.4
69.03415	0.8
69.07072	3.2
69.98093	1.6
70.06592	0.7
71.05006	0.6
72.08154	0.5
73.02914	0.6
73.06564	0.4
79.05484	0.6
81.07045	0.5
84.08128	0.4
85.02917	0.8
86.09730	0.4
94.04050	0.8
95.04943	0.4
97.02901	0.4
97.06530	2.1
98.97575	0.4
107.04881	0.3
115.03945	0.3
115.82597	0.3
116.98615	0.4
119.03572	2.3
120.04443	0.7
120.08095	0.7
121.02870	3.6
121.08479	0.7
123.06676	0.3
126.01046	0.4
128.60873	0.3
129.09138	0.5
134.09653	0.6
135.04414	0.4
136.06192	100.0
137.04593	1.4
137.05827	0.7
139.03964	0.3
150.07761	39.2
163.03941	1.2
236.08913	0.5
249.43263	0.3
250.13010	23.2
251.13278	0.3
282.09329	2.0
282.12143	4.0
282.15601	43.2
283.15918	0.7
300.06274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.4
55.05479	0.7
56.04981	0.4
57.07034	0.5
58.06568	0.8
65.03892	0.5
67.05450	1.0
69.03381	0.8
69.07025	0.8
70.06538	1.0
70.92410	0.9
70.92744	0.6
72.08119	0.4
75.97639	0.4
79.05432	1.5
80.05031	2.2
81.03358	1.4
81.07056	2.6
82.06546	0.7
83.04916	0.5
84.04456	0.5
85.02885	0.6
86.06021	0.6
87.04469	17.4
91.05418	1.4
93.07050	3.4
95.04925	0.4
95.07297	0.4
95.08537	1.2
96.08092	1.0
97.02853	0.8
98.05998	1.6
105.06976	0.9
107.08588	2.0
108.08122	2.1
109.08863	0.5
110.09669	2.4
119.08522	0.7
120.04408	1.4
121.02808	4.3
121.03854	0.9
122.09686	2.2
123.10376	0.8
124.07568	0.5
124.11171	0.8
127.90330	0.4
134.09586	0.5
135.11697	2.8
136.07478	0.5
136.11176	1.2
137.05907	0.6
142.42879	0.4
150.12790	3.2
151.13567	0.8
152.14346	14.2
164.10620	0.4
166.08650	3.4
178.12279	0.6
180.10239	0.6
181.11012	0.5
184.09605	1.2
184.13298	1.2
194.11832	2.5
196.13303	1.5
208.13327	4.8
209.11771	1.1
209.14090	0.9
210.14807	0.7
238.18018	100.0
239.18323	1.4
240.19638	0.8
241.17880	0.4
264.08966	0.4
264.18018	0.7
265.16257	0.8
282.20676	73.3
283.06232	0.5
283.21100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0589
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
53.03937	0.3
55.01617	0.2
55.01876	3.2
55.05526	0.1
55.40664	0.1
57.03415	0.1
58.67294	0.1
59.04986	0.4
65.03949	0.6
67.01876	0.1
67.05494	0.3
68.99779	1.5
69.03432	0.7
69.07076	0.1
69.37402	0.1
70.06562	0.1
70.99819	0.2
79.01843	1.2
79.05491	0.2
81.03423	1.2
81.07050	0.3
85.02913	0.3
91.05478	0.8
92.99755	0.4
93.07050	0.2
95.04970	0.3
95.08599	0.2
97.02908	0.7
97.06546	0.1
98.97572	0.2
99.00818	0.9
107.04943	0.1
107.08572	0.2
109.02885	0.4
111.04445	0.3
119.04090	0.2
119.04946	3.2
119.08524	0.1
121.02874	11.5
121.03881	0.4
123.00791	2.3
127.03876	0.1
127.73316	0.1
131.08554	0.1
135.11696	0.1
137.02332	2.6
137.09552	0.1
139.03900	0.3
141.01830	6.8
143.08525	0.1
145.06512	0.1
145.10095	0.1
147.00812	0.2
155.03409	0.2
157.06448	0.1
163.03928	0.2
165.01839	48.0
166.02185	0.4
167.07002	0.1
181.06454	0.1
183.02899	15.2
184.03215	0.2
187.03925	0.2
195.10333	0.1
209.11642	0.2
213.05461	0.1
217.45348	0.1
227.06943	0.1
238.18095	0.1
239.18346	0.7
246.37579	0.1
255.06566	0.8
265.06970	0.1
266.17813	0.1
283.06015	100.0
283.20569	0.6
284.06476	2.7
287.70868	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.2
53.03941	1.1
55.01874	0.3
56.96520	0.2
57.03449	0.5
61.02921	0.4
65.03940	2.8
69.03431	3.7
71.01351	0.4
71.04990	0.5
71.33533	0.4
73.02963	0.2
74.84337	0.2
76.04652	0.2
80.24613	0.2
80.74529	0.2
81.03418	5.6
83.01353	0.3
85.02911	4.7
91.41967	0.2
95.04974	5.9
95.05545	0.4
96.40559	0.2
97.02880	1.1
97.56194	0.2
99.04520	0.4
105.04508	0.2
109.02884	2.5
111.04455	1.8
121.02871	100.0
121.03850	3.1
122.03181	0.5
127.03930	0.8
139.03906	7.6
154.57889	0.2
192.78098	0.2
265.04510	0.4
265.07080	2.9
283.08286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	1.6
55.05511	1.3
57.03424	1.3
59.05011	1.1
65.03927	2.7
67.05503	3.4
68.99798	0.8
69.03427	3.3
69.07046	1.2
69.66230	5.2
70.06609	0.8
70.65044	0.7
77.03921	0.9
79.05499	4.2
81.03409	4.1
81.07046	3.4
83.05003	1.5
85.02900	3.2
91.05486	30.0
93.03430	1.2
93.07055	4.6
95.04963	3.6
95.08606	2.9
97.02900	1.7
97.06524	1.4
98.20779	1.5
98.97578	1.3
99.04460	0.9
103.05466	1.0
105.07043	2.4
107.04971	1.7
107.08581	2.8
109.02873	1.1
109.06490	1.0
109.10167	1.4
111.04437	2.0
111.08103	0.8
111.64052	0.9
114.81483	0.8
118.04186	2.0
119.04948	36.7
119.08564	1.2
121.02872	38.5
121.06454	1.2
121.10149	2.5
123.04443	1.0
125.09655	1.2
132.02060	1.4
135.08157	0.9
135.11714	2.2
139.03926	3.5
141.01842	1.5
143.08594	0.8
145.10170	1.7
147.04417	29.6
149.02365	2.6
149.05940	0.9
149.09587	1.1
157.03969	4.2
163.04002	1.0
163.11200	2.3
164.04735	2.3
165.01839	6.5
172.08589	0.8
173.09761	1.0
174.03142	1.0
175.03909	52.9
179.07047	2.2
181.12129	0.8
183.02863	3.4
185.02374	0.8
191.10686	1.4
192.04178	8.4
193.25107	0.9
207.06534	100.0
208.07076	0.8
225.07494	4.3
227.12781	2.8
265.07065	0.9
265.19336	0.8
266.16953	1.6
283.05991	21.2
283.08978	1.2
283.15234	5.3
283.20395	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	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
54.18273	0.7
55.01865	1.8
55.05510	4.4
57.03422	3.1
65.03958	1.1
67.05508	5.7
68.46799	0.7
69.03406	0.9
69.07063	2.1
69.95517	3.9
71.04984	1.6
77.73231	0.8
79.05111	0.8
79.05502	8.8
81.03416	2.5
81.07070	6.4
83.04978	2.1
83.08603	2.1
91.05486	3.0
93.07059	11.1
95.04953	2.4
95.08619	11.2
97.02908	1.5
97.06545	1.3
99.91697	0.7
105.07018	2.0
107.04967	2.8
107.08610	8.1
109.10146	1.2
111.04424	1.4
117.07020	2.3
119.08611	3.7
121.02874	11.9
121.06476	1.5
121.10168	3.9
133.10143	1.4
135.11696	12.2
139.03891	1.8
145.10139	8.2
153.12799	1.1
163.11198	20.4
181.12245	4.9
209.11682	0.9
220.91135	0.7
227.12817	23.6
233.11531	4.6
258.03955	0.8
265.14114	1.0
269.12436	2.0
283.15189	100.0
284.15494	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
53.03940	2.2
55.01867	3.6
55.05513	14.5
57.03435	9.5
57.07075	2.4
58.77806	1.1
67.05510	19.9
69.03423	1.8
69.07069	9.0
71.04987	1.8
71.60143	1.2
79.05495	24.6
81.03436	3.0
81.07063	21.2
83.04985	4.8
83.08623	10.3
89.06034	5.1
91.05476	8.2
93.07050	41.4
95.04976	5.9
95.08608	36.5
97.02903	5.7
97.06528	4.5
97.10183	1.8
99.04460	4.2
105.07018	7.3
107.04966	8.3
107.08603	28.8
109.06488	1.9
109.10139	3.1
111.04440	2.7
111.08119	1.5
116.98399	1.3
117.07039	8.7
119.08582	10.4
121.06526	5.2
121.10159	13.1
125.06009	2.4
130.07773	2.4
131.08542	1.2
133.08650	1.5
133.10132	3.5
134.09650	1.2
135.08037	2.5
135.11696	43.1
137.13385	1.3
139.07547	1.3
145.10138	27.2
163.11191	64.2
173.09607	2.4
180.65704	1.1
181.12250	15.5
209.11703	2.1
209.73701	1.4
224.38837	1.2
227.12787	100.0
283.15372	18.8
283.22620	2.2
283.26413	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01873	5.7
55.05518	12.6
57.03439	12.7
57.07079	6.9
65.03963	1.1
67.05509	20.5
69.03431	1.3
69.07076	10.0
69.24632	2.4
69.25034	7.3
69.65079	0.9
71.04990	3.7
71.08628	3.0
73.02963	1.2
77.03880	0.9
79.05495	28.0
79.20061	0.9
81.03429	3.4
81.06580	1.2
81.07062	24.1
83.04981	5.3
83.08620	11.4
85.10185	1.9
89.06042	1.3
91.05482	11.8
93.01521	0.9
93.07053	36.8
95.04964	7.7
95.08611	42.3
97.02899	4.8
97.06538	6.2
97.10186	2.0
99.04478	4.1
103.05469	1.1
105.07040	11.6
107.04963	12.2
107.08605	26.8
109.06490	2.0
109.08889	1.0
109.10152	4.1
111.04448	3.0
111.08089	2.2
113.06001	1.3
115.17091	1.0
117.07053	10.0
118.27441	1.1
119.08588	14.2
119.75040	1.0
121.06545	6.6
121.10155	16.9
123.08149	1.0
125.05994	2.4
125.09655	1.3
129.07004	1.9
130.07806	2.9
131.08601	1.6
133.10144	3.9
135.08070	3.0
135.11705	48.8
136.93135	4.2
139.07515	1.4
143.08531	2.6
145.10136	26.3
145.11272	1.4
145.46031	0.9
149.09659	1.1
153.03622	1.1
153.12782	1.4
154.94188	4.6
155.08592	1.3
157.10048	1.0
163.11197	70.3
172.95256	6.4
173.09709	2.4
181.12244	13.0
185.09758	1.0
190.96233	1.5
191.10704	1.9
209.11819	2.8
213.44057	0.9
227.12796	100.0
228.97894	5.2
246.98927	4.5
251.42104	1.0
283.15286	19.7
283.20667	2.7
283.24084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03947	2.9
55.01874	6.0
55.05259	1.0
55.05516	15.6
57.03437	13.1
57.07082	2.0
59.58469	1.0
62.14087	1.0
65.03943	2.3
67.05510	23.9
69.03423	2.1
69.07072	10.7
71.04989	2.7
71.08635	1.4
71.60375	1.1
73.72153	0.9
79.05495	31.5
81.03410	3.6
81.07060	22.6
83.04987	7.0
83.08614	10.2
85.02921	1.1
89.06040	3.6
91.03069	1.0
91.05486	12.6
93.07047	44.7
95.04977	10.3
95.08610	43.0
97.02895	5.4
97.06517	5.6
99.04470	4.3
103.05450	1.4
105.07030	10.3
107.04958	13.8
107.08595	33.6
109.06564	1.5
109.10155	3.9
111.04464	4.3
111.08113	2.6
113.06030	1.4
113.09631	1.5
117.07014	13.4
119.08581	11.7
121.06490	7.9
121.10144	14.7
125.05982	4.2
129.07024	2.1
130.07774	3.2
131.08582	3.0
133.10129	3.3
135.08064	2.5
135.11700	56.1
137.09671	1.2
139.07588	2.2
143.08565	1.1
145.06448	1.8
145.10133	32.0
145.11276	2.0
153.12776	2.4
155.08539	1.3
163.11189	71.7
169.88356	1.0
173.09662	3.3
174.59010	1.0
181.12244	15.9
191.10704	2.9
209.11700	3.6
210.63940	0.9
227.12791	100.0
228.13263	1.1
255.15990	3.0
283.15387	29.4
283.20490	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01881	7.0
55.05509	11.9
57.03439	12.0
57.07080	1.9
60.76485	1.0
61.08221	1.1
65.03950	1.6
67.05504	19.8
69.03425	1.7
69.07073	8.3
70.43459	1.1
71.04984	5.1
71.08623	1.2
71.20534	1.3
71.20855	1.9
79.05499	28.4
81.03423	3.8
81.07060	24.9
83.04990	5.6
83.08623	7.9
89.06055	1.4
91.05470	13.4
93.06452	2.3
93.07047	40.1
95.04958	8.7
95.08613	43.0
95.46497	1.2
97.02885	4.9
97.06532	4.6
98.20703	1.2
98.71909	1.4
99.04466	3.8
103.05463	2.0
105.07030	11.9
107.04967	10.4
107.08603	33.1
109.06542	2.4
109.10168	2.1
111.04457	2.9
113.05985	1.4
117.07008	13.2
119.08583	10.6
121.06534	7.2
121.10149	16.6
123.42056	1.2
125.06026	4.1
130.07834	3.0
131.08562	1.4
133.10150	3.8
135.08090	2.7
135.11703	54.4
139.07597	2.4
143.08521	1.8
145.10132	28.4
153.12744	1.7
155.08606	1.6
159.11736	1.0
159.19150	1.0
163.11195	71.5
173.09692	1.7
181.12245	16.7
183.34116	1.1
203.51421	1.1
209.11656	2.7
227.12791	100.0
228.13185	1.5
255.15988	1.3
283.15408	23.8
283.20508	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
54.53378	1.8
55.01872	6.6
55.05515	18.0
56.96554	2.0
57.03447	16.9
57.07079	10.7
65.03974	1.5
67.05166	1.8
67.05511	28.0
69.03429	2.6
69.07075	18.3
71.04987	5.0
71.08614	5.6
71.61179	1.8
74.05524	1.8
77.89277	1.5
79.05051	2.1
79.05501	36.8
81.03411	4.8
81.07060	31.0
83.04974	8.6
83.08632	15.0
85.06538	3.1
85.10177	2.9
89.06055	1.7
91.05492	16.1
93.07052	52.2
95.04980	10.7
95.08614	48.5
97.02896	4.4
97.06519	6.4
97.10165	6.9
99.04443	5.3
105.07035	16.7
107.04976	12.6
107.07940	2.9
107.08600	32.9
109.06522	2.2
109.10152	5.5
111.04455	4.3
111.08090	2.6
115.05476	2.0
117.07024	14.0
119.08587	16.0
121.02874	3.0
121.06509	6.8
121.10136	23.5
123.08091	1.7
123.11704	2.5
125.06011	5.4
127.07526	1.6
129.07050	1.8
130.07811	2.2
131.08562	3.5
133.06465	1.8
133.10132	5.9
135.11703	56.8
139.07491	3.1
143.08537	2.2
145.10127	36.0
145.64339	1.8
147.11668	3.0
149.09674	2.7
149.13240	3.0
153.12733	4.5
155.08499	2.9
157.10091	3.9
163.11200	78.3
171.11557	1.9
173.09587	3.7
175.11206	2.2
181.12254	20.8
191.10681	3.1
209.11763	5.4
227.12794	100.0
247.24330	2.3
283.15283	31.5
283.20572	5.9
283.26154	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
54.41812	0.9
55.01877	4.8
55.05517	15.5
57.03445	12.8
57.07067	3.9
59.26097	0.9
61.01581	1.0
65.03960	1.4
67.05509	23.8
67.51031	1.0
69.03419	1.8
69.07071	9.0
69.87729	5.1
70.66168	0.9
71.04985	3.1
71.08600	0.9
73.02930	1.8
73.18774	0.9
73.31065	0.9
79.05500	30.2
81.03410	3.6
81.07061	27.1
81.07514	2.1
83.04977	5.8
83.08622	10.7
85.02902	1.0
85.06561	1.5
90.71014	1.0
91.05484	14.0
93.07053	44.1
94.07370	1.0
95.04978	9.0
95.08611	46.1
97.02911	6.1
97.06517	4.9
97.10184	2.5
99.04467	3.8
103.05502	1.2
105.07049	9.8
107.04963	12.6
107.07862	1.6
107.08600	33.4
109.06502	2.6
109.10170	4.5
111.04460	3.5
111.08065	1.7
113.05991	1.5
115.05408	1.1
117.07012	9.3
119.08577	12.5
121.06532	6.7
121.10152	15.4
125.05993	3.9
128.06158	0.9
129.06979	1.6
130.07813	2.7
131.08586	3.5
133.10156	4.3
135.08084	3.0
135.11702	54.6
139.07526	2.8
143.08513	2.0
145.09019	2.3
145.10136	34.5
149.13354	1.0
153.12733	1.7
154.94221	2.1
155.08542	1.8
159.11623	1.5
160.03522	1.0
163.11194	71.7
172.95328	1.4
173.09621	2.8
181.10629	1.7
181.12238	17.1
187.76054	1.0
191.10648	2.9
208.45618	0.9
209.11815	5.1
227.12794	100.0
283.15378	27.8
283.20554	3.0
283.26154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01877	5.1
55.05509	13.1
57.03441	14.1
57.07084	0.9
65.03926	2.0
67.05162	1.3
67.05506	20.1
69.03443	2.6
69.07072	8.4
69.93661	4.8
71.04984	4.4
73.02904	1.4
77.03919	1.7
79.05497	36.5
81.03436	5.3
81.07062	23.3
83.04967	4.3
83.08627	7.8
85.02907	1.3
85.06565	1.5
91.05473	10.0
93.07048	45.4
95.04975	10.6
95.08609	45.0
97.02867	5.3
97.06540	5.1
97.10162	1.0
99.04445	3.9
103.05466	6.7
104.05802	3.8
105.07025	8.1
107.04959	13.7
107.08599	26.9
109.02867	1.4
109.06518	2.8
109.10150	3.3
111.04422	3.6
111.08092	1.7
113.06015	1.2
117.07008	10.7
119.08596	11.3
121.02879	20.0
121.06483	6.5
121.10159	12.4
125.06001	3.6
129.06984	1.4
130.07770	1.9
131.04887	2.1
131.08566	1.4
132.05219	1.4
133.10130	2.0
134.09641	4.3
135.08051	2.0
135.10002	2.8
135.11697	46.3
137.09470	1.0
139.03896	1.6
139.07556	2.1
143.08553	1.4
145.09013	2.1
145.10124	31.0
153.12750	2.0
155.08505	1.4
163.11188	68.6
164.11540	1.0
173.09639	2.5
181.12245	14.8
209.09761	1.0
209.11757	2.5
227.12782	100.0
283.09726	2.8
283.15338	36.4
283.20374	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01873	6.5
55.05256	1.0
55.05509	13.2
57.03182	1.0
57.03438	14.8
57.07065	1.4
65.03918	2.3
67.05160	1.4
67.05505	20.6
69.03421	2.6
69.07072	7.3
69.37164	6.8
70.06586	1.2
71.04982	3.5
73.02908	1.1
76.81982	0.8
77.03880	0.7
79.05495	31.2
81.03429	6.0
81.07061	22.2
82.06594	1.0
83.04980	5.6
83.08620	9.6
85.02900	2.0
91.05474	9.4
92.59730	0.9
93.07050	45.4
95.04968	11.4
95.08609	42.6
95.09228	2.0
97.02908	4.3
97.06530	4.0
97.10166	1.0
98.21506	1.3
99.04439	6.5
105.04501	0.9
105.07027	10.2
107.04967	11.9
107.08598	28.4
109.02867	1.2
109.06510	3.0
109.10135	3.5
111.04427	2.4
111.08100	1.1
115.05481	1.4
117.07024	10.9
119.08589	9.8
121.02872	28.7
121.03757	1.1
121.06506	7.4
121.10146	16.3
123.08070	1.1
125.05981	3.0
125.09595	1.1
129.06976	0.8
130.07790	2.5
131.08568	2.1
133.06476	1.1
133.10115	3.4
135.08063	2.8
135.11696	51.9
139.03941	1.8
139.07567	2.5
143.08572	1.3
145.10129	32.7
147.11664	1.0
153.12744	2.5
155.08559	1.1
158.98244	0.8
163.11189	70.4
165.01863	2.8
173.09605	2.2
177.05519	1.0
181.12253	16.7
191.10637	1.5
209.11720	4.1
223.07797	0.9
227.12784	100.0
240.07739	0.9
283.06003	5.4
283.09604	2.5
283.15390	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	283.2057
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03928	6.0
55.01858	4.6
55.05516	17.0
57.03433	4.7
57.07054	8.1
65.03919	3.7
67.05226	2.7
67.05503	33.1
69.03422	6.7
69.07080	15.1
69.76795	9.9
69.77218	5.9
70.87502	2.6
71.05008	12.5
79.05116	2.7
79.05499	29.6
81.03421	3.8
81.07057	46.5
83.04944	7.5
83.08602	10.5
89.06044	3.5
91.05490	36.6
93.07047	54.0
95.04977	14.0
95.08132	2.5
95.08615	32.9
97.06517	6.8
97.10163	2.8
103.05457	3.4
105.06377	3.6
105.07029	54.6
107.04951	4.2
107.08602	40.3
109.06554	12.5
109.10172	20.5
111.08051	7.1
115.05408	3.5
117.07041	14.3
119.08591	42.9
121.02845	3.5
121.06468	6.4
121.10151	99.2
123.08034	8.3
123.11697	9.1
128.06149	5.2
129.06973	7.4
130.07793	4.9
131.08574	43.8
133.10139	29.5
135.08040	9.7
135.11684	13.5
142.07782	5.9
143.08562	19.0
145.10123	45.4
146.07256	3.3
147.08031	3.7
147.11690	12.1
149.09633	3.6
149.13242	4.2
153.12650	4.1
155.08496	4.0
157.10147	16.9
158.10942	6.0
159.08031	4.8
159.11681	16.0
161.09622	27.0
161.13310	6.0
163.11183	7.3
163.14850	4.4
167.08444	3.0
169.10089	8.1
171.11662	14.2
173.09569	7.2
173.13260	61.9
175.11179	5.1
175.14789	9.1
177.81912	2.6
179.08504	4.3
180.09154	3.0
181.10059	4.4
183.11632	9.7
185.13251	9.2
187.14774	9.6
189.12679	2.8
190.83348	2.6
191.14294	9.7
193.10121	3.1
194.10864	4.7
195.11644	6.3
196.12424	3.2
197.13306	4.5
199.14783	8.7
201.12686	4.9
201.16296	4.7
209.13297	13.9
211.14793	3.0
213.16229	3.9
222.13945	2.9
223.14780	9.3
225.16362	4.4
227.12602	3.7
237.16103	2.9
241.15762	2.8
255.21199	3.3
265.19580	18.2
283.15567	3.9
283.17328	3.6
283.20511	100.0
284.20718	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05510	11.1
57.03429	2.2
57.07069	4.5
59.04980	1.9
67.05215	2.3
67.05508	23.8
69.03416	5.4
69.07072	10.6
71.04972	7.2
77.75873	1.9
79.05106	2.6
79.05497	26.9
81.07059	39.0
83.04960	3.8
83.08607	5.7
85.06523	2.2
86.59027	1.6
91.05479	27.4
92.09557	1.6
93.07044	44.4
95.04439	2.1
95.04968	11.1
95.08603	32.1
97.06530	7.7
105.07032	54.7
107.04958	2.1
107.07952	2.7
107.08603	36.4
109.06521	7.9
109.10177	18.6
111.08031	4.2
116.06188	2.5
117.07030	13.4
117.78491	2.1
119.08585	43.9
121.06517	8.0
121.10146	78.7
121.11024	4.0
123.08038	6.8
123.11701	7.5
125.09642	2.2
128.06259	2.8
129.07014	8.2
129.81622	1.9
129.86844	1.9
130.07791	4.3
131.08575	38.2
133.10133	33.0
135.08049	8.3
135.11700	9.9
142.07808	6.1
143.08574	19.9
144.09297	2.5
145.10121	42.9
146.07220	2.8
147.08023	4.3
147.11685	10.3
149.09657	3.7
149.13336	2.3
155.08556	5.9
156.09352	6.1
157.10150	22.3
158.10918	8.5
159.08026	5.4
159.11707	19.8
161.09621	25.9
161.13228	5.3
163.11192	7.8
163.14806	2.9
165.06987	3.1
167.08609	4.6
168.09343	2.4
169.10117	7.8
170.10912	2.6
171.11707	18.4
173.09695	4.2
173.13263	68.9
175.11195	6.6
175.14780	8.9
177.12665	1.7
179.08560	6.1
180.09363	3.4
181.10191	5.4
183.11734	9.3
185.09702	2.6
185.13258	13.6
187.14861	8.4
189.12752	3.7
191.14320	8.9
193.10152	5.4
194.10892	4.8
195.11676	12.0
197.13181	6.4
199.11171	4.7
199.14761	10.1
201.12718	3.2
201.16454	2.6
207.83995	1.9
208.12439	4.1
208.47816	1.8
209.13235	17.1
210.13930	2.4
211.14804	3.7
213.12700	4.4
213.16350	4.1
215.14296	2.0
223.14801	11.6
225.16364	7.3
227.14320	7.4
235.14749	3.1
241.15906	3.8
255.21059	10.4
265.19601	27.8
283.20581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59243	0.3
56.05010	0.5
56.96570	2.6
56.96793	0.5
62.69730	0.4
63.20018	0.4
63.34015	0.4
69.03426	1.0
69.07060	0.4
70.06606	3.3
71.59893	0.7
72.08144	1.0
74.06066	0.4
77.27962	0.4
80.77759	0.5
81.03414	0.8
84.04510	0.6
84.08120	1.2
85.02892	1.4
86.09726	0.8
97.02899	0.9
98.97001	0.7
98.97592	10.3
101.00896	3.4
110.03518	1.1
110.07164	1.9
113.00900	0.5
116.76476	0.4
116.98634	3.9
119.01933	5.4
122.01357	0.9
131.01900	1.0
134.99792	0.8
135.03049	3.3
136.06186	2.0
137.01901	0.5
137.02910	0.8
140.98827	0.6
141.10248	0.7
143.01924	1.1
146.75067	0.4
152.05688	42.4
153.04042	2.6
154.01846	0.4
158.99872	1.9
161.02940	0.7
169.09737	0.8
173.02995	0.6
176.07712	0.7
177.00961	12.5
178.01051	0.4
182.99915	1.1
196.38080	0.4
201.00903	2.6
213.12343	0.6
217.04112	2.6
219.02020	17.6
225.00859	2.4
227.31812	0.4
243.02013	8.7
259.99930	0.6
260.99969	3.1
261.03076	100.0
262.03223	1.8
263.03491	0.5
278.01138	0.6
279.00601	4.3
284.00165	1.0
284.04669	1.7
284.09421	1.3
284.16058	2.0
302.01245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01870	0.3
56.96556	0.5
57.01869	0.2
57.03425	0.4
59.79691	0.2
63.86382	0.2
69.03421	0.6
70.06590	1.0
70.16452	0.5
70.16845	0.9
72.08167	0.3
73.02923	0.4
73.33223	0.2
81.03434	0.2
84.08151	0.5
85.02899	1.3
97.02917	0.5
98.21211	0.4
98.97574	1.1
101.00885	1.1
107.05011	0.2
109.05149	0.5
110.03521	2.5
110.07143	0.4
116.98661	0.4
119.01919	1.3
128.04567	0.8
131.01921	0.7
133.03436	0.3
134.04611	0.4
135.03036	6.1
136.06192	0.4
137.01894	0.3
137.52055	0.3
143.01936	0.4
145.03461	0.3
152.05685	100.0
153.04068	5.5
158.33961	0.3
158.99971	0.3
161.02963	0.4
163.65672	0.3
173.02948	0.7
174.04494	0.2
176.07716	0.5
177.00960	2.1
201.00816	0.3
203.04048	0.5
215.99799	0.3
217.04071	0.3
219.02013	3.1
221.04973	0.3
243.01855	2.0
261.03079	15.9
262.03305	0.6
279.00500	0.6
284.04700	0.5
284.09601	0.5
284.16098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.3
56.96569	58.5
57.03428	2.7
67.05503	5.4
69.03419	1.5
69.07067	2.8
69.63927	6.2
79.05489	3.4
81.03416	7.4
81.07072	6.2
83.04958	2.4
83.08607	2.3
85.02901	4.1
85.06563	1.0
87.35621	0.9
89.87017	1.1
91.05036	1.0
91.05492	6.7
93.07037	4.6
95.04956	3.7
95.08611	4.7
97.06503	2.0
97.10181	1.3
98.97587	1.9
98.98488	1.1
99.08091	1.0
99.44866	1.2
105.07033	4.8
107.04946	2.1
107.08600	2.9
109.06514	1.0
109.10146	2.6
111.08080	1.4
116.98595	1.5
119.08578	4.7
121.10143	1.3
123.08070	1.2
131.08574	2.1
133.10124	2.9
135.11713	1.2
145.10121	2.0
147.11684	4.0
149.09586	1.4
157.10170	2.3
159.11729	2.3
161.13237	1.8
165.06969	2.4
169.01787	3.0
173.09589	1.3
175.11148	2.1
177.02290	1.9
181.01637	1.4
187.02843	1.5
188.98549	1.7
191.00162	3.6
193.01625	5.4
193.06438	1.5
193.12285	4.4
195.03340	7.5
197.13310	1.7
203.00108	1.7
206.99612	2.6
209.01253	3.0
210.16518	1.0
211.02768	7.6
211.13350	2.9
213.04367	10.3
221.01199	8.2
221.05978	1.7
222.97075	1.1
225.09138	3.2
239.02277	100.0
244.03111	1.1
253.08641	5.4
257.03333	79.9
262.03888	13.9
267.21225	1.9
275.04541	1.1
280.04987	6.8
284.29443	2.0
285.07242	2.4
285.11050	4.1
285.18381	3.8
285.22131	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01865	2.7
55.05513	9.7
56.96563	0.9
57.03439	8.2
57.07082	0.9
60.95053	0.7
65.21265	0.8
67.05154	1.2
67.05508	13.4
69.03429	2.8
69.07072	4.6
69.88863	1.9
69.89278	1.9
71.05000	3.6
75.04542	0.9
79.05495	15.3
81.03418	100.0
81.07056	15.5
83.04984	5.8
83.08623	20.0
85.02908	9.9
91.05483	17.5
91.06053	0.8
93.07044	9.6
95.04971	25.3
95.08614	7.3
97.02908	3.0
97.06530	2.1
97.10182	1.4
98.97584	0.9
99.08103	1.0
105.07037	13.8
107.04958	5.6
107.08607	5.7
109.06525	3.5
109.10182	2.8
111.04486	1.0
111.08079	12.1
115.05490	0.8
117.07037	1.3
119.04965	0.9
119.08588	13.5
121.02865	1.3
121.06520	2.5
121.10152	5.9
123.08104	2.5
123.11717	1.4
125.09646	1.2
128.06201	1.3
129.07021	9.2
131.04927	0.9
131.08565	8.2
133.06470	2.1
133.10161	5.7
135.11693	1.0
137.09659	1.5
139.11201	0.9
142.07785	3.6
143.08588	2.6
145.10126	5.0
147.08069	3.2
147.11682	8.8
149.09656	5.0
149.13214	1.5
155.08565	1.1
157.10133	13.3
159.11697	2.2
161.13202	1.2
165.07080	1.1
165.12798	2.4
169.10193	2.1
170.10986	1.0
171.11772	2.0
173.13365	1.6
175.11188	12.5
183.11766	1.1
185.13321	0.9
187.14973	0.9
193.06534	1.1
193.12247	44.8
197.13269	1.1
199.14882	4.3
210.06728	1.1
211.13206	8.0
211.14626	1.1
211.35069	0.8
213.16423	0.8
217.15680	0.9
225.09131	2.0
253.08638	1.9
267.15887	9.3
267.21127	2.6
275.79681	0.8
285.07648	1.2
285.10812	1.5
285.13730	1.5
285.17053	6.8
285.22058	9.6
306.45538	0.9
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
53.03935	3.5
55.01865	6.2
55.03922	1.2
55.05262	1.6
55.05514	29.4
57.03442	48.5
59.04996	1.3
59.22152	1.3
65.03927	1.8
67.05509	42.4
68.27772	1.2
69.03412	5.1
69.07069	12.0
70.06592	1.7
70.16414	4.4
71.04995	10.8
75.07240	1.0
79.05058	2.4
79.05501	39.2
80.60941	1.2
81.03422	100.0
81.07063	46.5
83.04542	1.6
83.04990	21.7
83.08133	1.6
83.08624	37.7
85.02909	70.1
85.06535	2.6
87.04470	1.5
91.05487	51.6
93.07055	28.5
95.04974	40.9
95.08609	21.6
97.02892	3.5
97.06536	8.0
97.10149	4.9
98.97588	1.9
99.08080	1.7
105.07037	36.5
107.04970	8.5
107.08602	14.2
109.06552	7.2
109.10154	4.8
111.04443	4.6
111.08089	19.1
113.05984	3.9
115.05458	2.7
117.07011	3.7
119.07791	1.5
119.08598	30.8
121.06474	2.8
121.10167	16.3
123.08062	5.0
123.09973	1.2
123.11697	4.4
125.09643	2.2
127.07562	2.2
129.07011	16.6
131.08571	18.5
133.06474	3.8
133.10147	16.2
134.39177	1.4
135.11729	1.5
136.25140	1.2
137.09601	2.8
141.07030	1.2
142.07771	4.2
145.10095	3.0
147.08018	4.9
147.11700	27.0
149.09627	10.9
151.11259	1.6
155.08531	1.4
157.10130	23.8
165.12755	5.5
171.11757	1.4
175.11189	28.8
193.12251	83.6
199.14819	1.7
207.06516	1.4
211.13309	51.5
225.09166	1.5
241.35115	1.4
253.08661	3.6
259.08344	1.9
267.15973	4.8
280.23529	1.3
285.07382	1.9
285.16956	57.2
285.22073	4.5
292.57602	1.4
297.90262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.91434	0.9
53.03940	2.3
53.26543	0.8
55.01869	1.9
55.05510	8.4
55.22747	1.1
57.03434	10.9
57.26728	0.9
57.72156	0.8
67.05499	12.7
69.03436	2.5
69.07066	4.6
69.36032	7.1
69.36449	2.6
71.04985	3.2
71.77997	0.9
74.80769	0.9
79.05495	15.5
79.42712	1.1
81.03419	100.0
81.07056	16.2
83.04985	5.9
83.08622	21.7
85.02900	12.5
91.05484	18.4
93.07041	10.2
95.04974	32.3
95.05452	0.8
95.08605	5.1
97.02895	3.2
97.06533	2.0
102.32802	0.9
105.07040	14.3
107.04947	6.7
107.08586	4.4
109.06507	3.0
109.10125	2.0
110.89946	1.0
111.04431	1.4
111.08080	12.0
111.25345	1.0
113.05977	1.9
115.05473	1.7
119.08577	9.8
121.06528	1.6
121.10149	6.8
123.08112	1.8
125.09694	1.6
129.07011	8.8
131.08571	8.0
133.06525	2.3
133.10126	5.8
135.11656	1.3
142.07770	2.5
145.10123	2.1
147.08038	2.7
147.11682	11.8
149.09618	5.5
157.10127	12.9
165.12747	3.2
166.68176	1.0
175.11188	15.5
193.12248	50.0
199.14906	1.2
211.13315	14.3
267.16000	9.1
285.17026	12.6
285.22089	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01863	7.1
55.05516	29.9
57.03442	58.2
57.07057	2.2
59.81543	1.6
65.03945	2.9
67.05167	3.0
67.05509	49.7
69.03442	10.7
69.03750	1.9
69.07069	15.9
69.52840	4.4
69.53255	10.8
71.05008	10.6
79.05043	3.5
79.05495	56.7
81.03424	100.0
81.07062	63.1
83.04626	1.7
83.04990	21.5
83.08622	35.5
84.15440	1.8
85.02911	85.0
85.06540	2.6
88.37135	1.7
91.05486	63.4
92.94978	1.9
93.07053	36.6
95.04978	49.8
95.08611	30.8
97.02901	3.6
97.06518	6.1
97.10167	5.9
98.97578	2.4
98.98506	1.9
99.04459	1.9
99.08089	4.8
100.11282	2.0
105.06367	3.5
105.07036	49.6
107.04951	10.7
107.08603	16.2
109.06521	9.2
109.10163	10.6
111.04469	5.3
111.08093	23.9
113.06002	7.1
115.05470	2.6
117.06999	4.6
119.08585	36.1
121.06490	3.8
121.10134	18.3
123.08061	7.7
123.11727	5.7
125.09618	2.0
127.20039	1.7
129.06993	18.7
130.27658	1.7
131.08563	20.2
133.06483	5.2
133.10127	22.6
135.11639	2.4
137.09579	4.0
139.48503	1.9
142.07779	7.0
143.08536	3.1
145.10130	6.6
147.08034	6.1
147.11694	32.9
149.09630	11.7
151.11206	2.8
155.08638	3.8
157.10152	26.3
159.11694	4.3
163.11220	3.4
165.06973	2.2
165.12807	8.5
168.92619	2.0
169.10091	2.9
171.11708	2.6
175.11189	27.9
185.13347	2.5
193.12254	82.3
199.14864	5.9
210.06795	2.6
211.13286	51.2
221.06073	3.3
225.09125	4.2
225.16548	2.3
242.05975	2.2
253.08549	6.5
267.15970	6.6
267.21051	4.1
285.07510	4.2
285.11810	3.3
285.16968	63.8
285.21738	15.3
286.04648	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.96951	0.9
52.00905	0.9
53.03939	2.8
55.01874	3.0
55.05511	10.6
57.03441	11.2
65.03939	1.8
67.05160	1.3
67.05508	18.4
69.03431	3.0
69.07069	3.9
69.78542	4.9
71.05000	2.9
79.05501	14.5
81.03422	100.0
81.06630	1.6
81.07059	18.6
83.04980	7.0
83.08627	20.8
85.02913	14.3
85.06546	1.0
85.33194	0.8
91.04948	1.9
91.05482	20.7
93.07046	10.6
95.04977	26.2
95.08608	6.4
97.02865	1.9
97.06525	3.3
97.10189	1.4
98.20822	1.8
99.08054	1.1
105.07030	15.3
107.04971	6.6
107.08604	4.9
109.06538	1.8
109.10176	2.6
111.04421	1.2
111.08088	9.9
113.06027	1.8
117.07024	2.3
118.42101	0.8
119.08588	14.1
121.06525	1.6
121.10157	6.5
121.90286	0.9
123.08078	1.9
123.11726	2.5
129.07004	8.7
131.08568	9.1
133.06473	3.2
133.10135	6.5
135.11661	1.2
137.09549	1.0
142.07787	2.4
145.10104	2.2
145.35146	0.9
147.08072	2.2
147.11700	13.4
149.09624	5.4
157.10138	10.9
159.11761	1.5
165.12799	3.5
175.11203	13.3
193.12250	46.4
194.12506	0.9
211.13289	15.1
211.14972	1.4
225.09140	1.0
253.08676	1.7
267.15918	9.6
267.21182	1.0
285.10992	1.1
285.16937	11.9
285.22186	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01880	1.5
55.05515	9.9
56.61288	0.9
56.96548	1.2
57.03442	9.7
65.03967	1.2
65.75953	1.0
67.05217	1.0
67.05516	13.4
69.03426	2.0
69.07064	4.2
69.49204	4.9
69.49618	2.0
71.04973	2.2
73.97184	0.8
79.05499	14.4
80.06464	1.0
81.03423	100.0
81.07062	18.4
83.04994	5.1
83.08625	21.2
85.02905	9.8
85.06555	1.4
91.05484	17.9
93.07048	11.6
95.04971	25.2
95.08609	8.6
97.02898	2.1
97.06512	2.9
97.10187	2.3
97.65992	0.9
98.97539	0.9
99.08072	1.4
105.07038	17.2
107.04965	8.9
107.08608	5.9
109.06503	4.3
109.10143	3.7
111.04440	2.3
111.08081	12.8
113.05997	1.6
115.05431	1.3
119.07789	1.3
119.08596	16.0
121.06491	2.0
121.10126	8.0
123.08065	1.5
123.11680	1.9
125.09641	1.5
128.06227	1.4
129.06990	8.7
131.08569	10.6
133.06474	3.5
133.10138	6.0
137.09579	0.9
142.07816	3.0
143.08534	2.1
145.10133	4.0
147.08041	3.3
147.11700	9.0
149.09639	5.0
149.13109	1.1
157.10143	11.2
159.11665	3.0
161.13287	1.3
165.12776	2.1
171.11620	2.7
173.13220	2.3
175.11192	13.3
175.14873	1.6
183.11713	1.2
193.06494	1.0
193.12256	50.9
199.14815	2.9
211.13277	11.1
211.14993	1.8
221.05753	1.0
225.09113	1.5
243.31538	1.1
253.08580	3.1
254.31407	1.2
267.15906	10.7
267.21191	3.0
284.90125	1.1
285.07574	2.3
285.11093	3.0
285.17032	7.5
285.22046	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01867	2.6
55.05515	19.6
56.96545	3.5
57.03182	1.9
57.03436	21.5
57.07056	1.7
58.18767	1.1
59.04995	1.3
65.03916	2.3
67.05506	42.5
68.99744	1.1
69.03413	2.2
69.07074	22.0
71.04998	7.5
71.59609	1.6
76.03978	2.0
79.05494	25.4
81.03432	7.9
81.07060	100.0
83.04992	8.7
83.08614	12.2
84.08169	1.3
85.02881	4.4
85.06551	7.2
91.04971	1.8
91.05486	31.4
93.07048	21.6
95.04976	9.0
95.08607	28.7
97.02842	2.3
97.06539	13.1
97.10181	2.6
98.97562	2.4
98.98475	1.7
99.08088	8.5
101.05991	2.2
103.05430	1.6
105.07036	48.0
107.04935	2.7
107.08610	20.3
109.02856	1.6
109.06538	8.0
109.10159	8.4
111.08057	3.9
112.87244	1.4
113.05997	2.7
117.07001	2.7
119.08581	34.4
121.06511	1.5
121.10152	24.9
123.08096	7.3
123.11713	32.0
127.07533	4.5
127.11216	1.6
128.06195	2.0
129.06990	5.2
131.04915	3.3
131.08568	7.0
133.10133	8.4
135.07985	2.0
135.11642	2.7
137.13258	2.6
141.09113	1.4
142.07750	3.1
143.08514	4.4
145.10149	8.4
146.03592	1.4
147.07912	1.8
147.11693	78.1
148.11981	1.3
149.09590	2.9
149.13289	1.4
154.07759	1.6
155.08530	2.0
156.09332	1.3
157.10132	10.0
159.08026	1.6
159.11688	6.1
161.01164	1.5
161.05966	5.3
161.09538	1.9
161.13234	2.7
165.07008	5.7
165.12764	37.7
169.10100	2.9
170.84767	1.0
171.11635	4.2
171.96648	1.1
173.09657	1.4
173.13225	3.1
175.11206	3.8
181.06490	1.3
182.07199	3.2
183.11670	3.9
183.13757	4.7
187.14767	2.2
189.12660	1.4
193.06468	4.8
193.12265	8.5
195.08092	1.3
197.13228	3.3
199.14783	4.6
201.12698	1.3
201.16545	1.4
210.06822	5.2
211.13139	2.5
211.14786	3.3
215.06905	1.4
221.06006	9.0
225.09082	11.9
225.16330	1.5
227.17957	2.5
229.14252	5.6
238.06288	3.2
239.07021	1.8
243.11273	1.3
243.17339	1.3
253.08615	22.3
259.09641	1.6
267.15854	3.1
267.21075	6.5
270.08646	1.7
285.07394	4.3
285.11197	13.7
285.16925	42.3
285.21927	23.1
285.25296	2.5
285.29324	1.3
301.21146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01873	3.3
55.05506	10.6
56.96548	2.7
57.03436	11.1
60.19791	1.5
61.01032	1.4
63.00042	11.6
65.03944	2.0
67.05502	19.6
69.03426	3.0
69.07069	9.5
69.75731	7.9
71.04977	3.8
79.05488	19.6
81.03417	100.0
81.07057	19.5
83.04998	7.2
83.08624	22.7
84.08121	1.5
85.02901	6.6
85.06554	2.6
91.05480	19.0
93.07053	12.2
95.04968	30.0
95.08601	9.7
97.02900	3.0
97.06538	8.6
97.10155	1.7
98.21481	2.0
98.97576	2.9
98.98472	8.6
105.07039	17.8
107.04947	8.0
107.08615	8.7
109.06503	5.3
109.10168	3.3
111.04429	2.0
111.08075	11.1
115.05482	2.9
117.07028	3.8
119.08585	17.1
121.02869	2.9
121.06482	2.8
121.10143	10.4
123.08087	2.8
123.11735	2.8
124.99966	3.4
125.09628	1.4
129.07022	8.4
131.04880	3.4
131.08574	10.3
133.06482	3.4
133.10133	9.1
135.08011	1.7
135.11757	1.7
137.09636	2.9
142.07690	3.3
143.08546	2.8
145.06461	1.9
145.10104	4.8
147.08025	2.8
147.11708	13.6
149.09663	6.4
155.08501	2.1
157.10135	14.1
159.11757	3.2
160.97678	4.1
161.06004	3.0
165.06998	5.0
165.12781	2.4
171.11662	3.1
175.11169	16.3
182.07401	2.3
185.13190	1.6
189.00459	1.5
193.06491	3.6
193.12242	48.6
197.13255	2.3
199.07481	1.6
199.14751	2.2
209.64818	1.2
210.06790	4.0
211.13193	9.6
221.05951	4.1
222.96916	4.3
225.09050	6.6
238.06197	2.1
243.06508	2.3
243.11325	2.1
253.08586	16.6
267.15900	11.4
267.21039	2.4
284.96097	3.7
285.07401	4.2
285.11255	10.7
285.16928	7.1
285.18903	2.2
285.21777	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	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
54.95494	2.3
55.01883	4.0
55.05516	21.7
56.35056	2.1
56.96557	7.5
57.03187	2.4
57.03441	33.6
57.07064	8.1
65.03918	2.4
67.05207	3.1
67.05509	34.4
69.03424	7.7
69.07066	14.0
70.05298	8.7
71.04988	8.2
71.08647	2.8
71.53081	2.3
79.05494	25.1
81.03424	100.0
81.07062	41.9
83.04980	14.2
83.08628	30.1
85.02919	55.5
85.06541	6.5
91.05485	39.2
93.07052	25.6
95.04968	40.6
95.08625	19.8
97.02856	5.6
97.06529	7.8
97.10175	3.3
98.98471	3.5
105.07045	32.6
107.04977	9.0
107.08604	20.1
109.06489	5.3
109.10157	13.4
109.90286	2.6
111.04477	4.1
111.08092	22.0
113.06020	4.2
117.06982	4.6
119.08592	27.7
121.06473	2.6
121.10142	17.3
123.08066	4.1
123.11753	4.4
123.51258	2.4
129.07028	14.1
131.08580	14.3
133.06441	6.4
133.10103	16.0
135.11658	4.6
137.09680	3.6
142.07787	4.9
143.08557	5.5
145.10161	10.4
147.08072	5.3
147.11713	23.5
149.05899	2.7
149.09636	7.9
151.11111	2.6
154.49054	2.5
155.08533	3.9
157.10120	19.4
159.11728	5.5
161.09651	3.9
165.06940	3.5
165.12752	7.1
169.10034	3.4
171.11731	3.1
173.13316	3.9
175.11166	21.7
183.11710	8.3
185.13258	3.3
193.12260	89.7
197.13144	2.8
199.14824	4.5
210.06860	2.3
211.11296	4.8
211.13283	59.9
211.15179	3.5
215.99478	3.2
225.09094	2.9
227.17870	3.4
229.14519	3.1
242.05951	3.5
253.08559	7.3
267.15845	4.8
285.07565	4.9
285.11249	3.5
285.16583	43.5
285.29758	10.6
286.30988	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01873	2.3
55.05262	0.9
55.05519	17.2
56.96533	1.0
57.03181	1.4
57.03442	19.4
57.07076	1.9
59.04997	1.1
67.05513	39.7
67.21838	0.9
69.03421	3.5
69.07077	22.1
69.26639	9.6
71.04996	10.3
79.05500	24.6
81.03431	9.0
81.07066	100.0
83.04985	10.3
83.08627	11.3
85.02908	3.1
85.06549	8.8
87.04467	1.2
91.05493	31.5
91.06067	1.7
92.78826	0.9
93.06461	1.3
93.07053	21.0
94.41602	1.0
95.04975	10.5
95.08618	24.9
97.06549	9.0
97.22402	1.0
98.97583	1.6
99.08090	4.9
101.06027	1.5
105.07040	44.0
107.04966	2.0
107.08607	17.2
109.06528	8.2
109.10168	5.3
111.04463	1.2
111.08104	2.5
113.06010	2.3
115.05513	1.2
115.52586	1.0
117.07034	2.7
119.08598	30.8
120.26782	0.8
121.06521	1.5
121.10160	21.9
121.19628	0.9
122.03204	1.0
123.04437	1.0
123.08073	6.0
123.11720	31.7
125.09650	1.8
127.07543	1.9
129.07011	4.5
131.04926	1.1
131.08571	6.5
133.10149	7.4
135.08051	1.8
135.11688	2.3
137.09612	2.2
137.13264	2.5
141.09084	1.4
142.07771	1.5
143.08566	3.6
145.10155	7.4
147.08073	1.9
147.11705	69.2
149.09592	2.4
149.13249	1.3
151.11232	2.5
155.08644	1.0
156.09415	1.0
157.10175	9.1
159.11723	3.7
161.06023	1.2
161.13303	2.5
165.07010	2.9
165.12779	34.7
166.13177	1.0
169.10129	2.2
171.11670	3.2
173.13286	3.4
175.11223	6.4
175.14761	0.9
182.07352	1.3
183.13846	3.6
185.13278	1.8
187.14870	1.4
193.06502	1.2
193.12251	8.4
197.13232	2.7
199.14812	3.7
201.16371	1.3
210.06709	1.6
211.13295	3.2
211.15007	2.0
213.16512	1.9
215.01346	0.9
221.05980	2.7
225.09164	4.3
225.16324	1.5
227.17885	1.8
229.14301	5.0
253.08665	7.4
267.15924	3.9
267.21133	4.5
275.48343	0.9
285.07590	2.3
285.11270	5.2
285.16998	39.5
285.21948	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
54.95494	2.3
55.01883	4.0
55.05516	21.7
56.35056	2.1
56.96557	7.5
57.03187	2.4
57.03441	33.6
57.07064	8.1
65.03918	2.4
67.05207	3.1
67.05509	34.4
69.03424	7.7
69.07066	14.0
70.05298	8.7
71.04988	8.2
71.08647	2.8
71.53081	2.3
79.05494	25.1
81.03424	100.0
81.07062	41.9
83.04980	14.2
83.08628	30.1
85.02919	55.5
85.06541	6.5
91.05485	39.2
93.07052	25.6
95.04968	40.6
95.08625	19.8
97.02856	5.6
97.06529	7.8
97.10175	3.3
98.98471	3.5
105.07045	32.6
107.04977	9.0
107.08604	20.1
109.06489	5.3
109.10157	13.4
109.90286	2.6
111.04477	4.1
111.08092	22.0
113.06020	4.2
117.06982	4.6
119.08592	27.7
121.06473	2.6
121.10142	17.3
123.08066	4.1
123.11753	4.4
123.51258	2.4
129.07028	14.1
131.08580	14.3
133.06441	6.4
133.10103	16.0
135.11658	4.6
137.09680	3.6
142.07787	4.9
143.08557	5.5
145.10161	10.4
147.08072	5.3
147.11713	23.5
149.05899	2.7
149.09636	7.9
151.11111	2.6
154.49054	2.5
155.08533	3.9
157.10120	19.4
159.11728	5.5
161.09651	3.9
165.06940	3.5
165.12752	7.1
169.10034	3.4
171.11731	3.1
173.13316	3.9
175.11166	21.7
183.11710	8.3
185.13258	3.3
193.12260	89.7
197.13144	2.8
199.14824	4.5
210.06860	2.3
211.11296	4.8
211.13283	59.9
211.15179	3.5
215.99478	3.2
225.09094	2.9
227.17870	3.4
229.14519	3.1
242.05951	3.5
253.08559	7.3
267.15845	4.8
285.07565	4.9
285.11249	3.5
285.16583	43.5
285.29758	10.6
286.30988	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
52.65178	3.5
52.75512	3.9
55.05524	23.8
57.07086	8.2
58.14216	3.7
60.75728	3.6
66.73290	3.9
67.05513	33.4
67.94056	4.1
69.03429	5.0
69.07071	61.3
71.04980	8.6
71.60190	5.8
75.81174	4.5
79.05486	22.7
81.07063	49.0
83.05020	4.7
83.08617	13.8
91.05480	32.2
93.07049	43.2
95.04987	15.7
95.08622	61.3
97.06535	19.6
97.10149	5.9
103.05447	6.8
105.07043	92.6
107.08595	45.8
109.06535	23.6
109.10189	43.6
111.08105	12.0
117.07040	7.8
119.08598	100.0
121.06517	11.9
121.10144	43.8
123.08106	8.1
123.11710	20.1
129.07031	6.1
129.27950	4.5
131.08615	16.1
133.10141	64.7
133.44627	3.8
135.08064	12.9
135.11691	15.7
137.09644	8.3
142.07790	8.5
143.08600	12.2
144.09372	4.6
145.10114	29.0
146.07301	11.2
147.08041	4.7
147.11668	28.9
149.13312	6.3
150.85258	3.7
155.08563	6.6
157.10161	12.7
159.11707	17.1
161.09637	96.2
161.13298	14.9
166.71019	3.6
169.10143	11.0
171.11722	6.4
171.86438	3.9
173.09587	4.6
173.13307	15.6
175.11214	4.2
175.14847	74.3
177.16437	13.6
181.10249	4.2
182.10991	5.0
183.11716	6.2
185.13286	20.4
187.14925	6.0
193.15933	14.1
197.13278	10.2
199.14885	5.2
201.16371	4.5
211.14890	13.2
229.15910	5.3
267.21075	21.8
285.07394	5.7
285.22171	61.7
285.29819	6.6
285.33362	7.0
290.19681	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	286.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03080	1.6
53.03947	1.5
54.00021	1.2
55.05496	2.9
56.05023	2.6
56.96569	2.5
67.05486	2.4
69.03452	2.8
69.07061	2.5
70.06597	7.9
72.08145	6.3
79.05506	2.4
81.03419	2.2
81.07051	5.5
82.80769	1.4
83.01105	8.8
83.08587	1.9
84.01847	1.6
84.04523	3.7
84.08150	3.9
85.02930	1.8
86.09698	4.7
87.02702	3.4
91.05477	9.2
94.06568	1.8
95.01095	13.2
95.04961	1.8
96.01865	6.6
97.02876	2.6
98.97580	8.7
100.02186	1.8
105.07048	1.6
107.08549	2.3
108.08129	1.5
111.00546	2.4
111.04230	1.9
112.01347	6.1
112.04980	1.7
113.02127	19.0
114.05539	2.1
116.98628	2.9
119.04910	2.0
120.08107	4.0
121.25498	1.8
124.03934	3.5
124.07597	1.4
126.02911	2.4
128.98586	1.3
130.43626	1.4
135.04417	1.5
137.05954	2.8
141.01563	2.4
142.04956	3.0
144.00342	1.5
147.04390	1.6
148.07564	2.3
153.01782	3.1
157.04724	4.1
163.03825	1.6
167.03139	2.6
169.07588	2.4
185.04207	25.4
201.03709	35.6
203.05368	2.3
207.06590	2.9
254.08913	2.3
269.09375	3.8
276.22794	1.6
285.74213	2.1
286.12634	100.0
287.05573	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	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27312	0.5
55.05510	2.3
56.05021	0.9
57.03432	1.1
59.04998	2.7
61.02924	5.1
68.05021	0.7
69.03442	1.0
70.06587	2.1
71.05000	5.2
71.50278	1.1
72.08161	1.1
79.05505	1.8
80.04998	0.7
81.04546	1.0
81.07066	11.3
82.05325	1.7
83.06111	12.3
85.02911	1.9
93.04524	7.3
93.19980	0.5
95.06101	15.2
97.02905	0.9
98.97575	0.9
99.08124	1.0
107.06082	1.9
109.07617	0.7
110.07170	100.0
111.05577	1.8
112.07608	0.7
112.08720	3.2
113.09669	0.9
114.17372	0.6
116.07075	1.1
119.06089	0.9
121.07618	2.2
121.28925	0.6
124.07610	0.6
135.04446	0.9
136.08653	0.6
146.09636	0.8
156.07690	14.8
161.02971	1.1
163.03949	1.4
163.12308	55.1
166.06163	2.3
180.61491	0.7
181.13379	0.6
181.48572	0.6
185.09253	1.1
190.13377	7.8
193.13397	1.3
208.14471	11.8
208.29547	0.6
209.12982	0.7
219.11319	2.1
236.13959	9.3
240.17082	11.0
241.15501	1.1
242.18690	0.7
254.15019	23.1
268.16705	0.8
283.99628	0.6
286.17624	70.1
287.11011	0.8
287.17783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01866	0.1
55.05508	0.2
56.96566	0.2
57.03431	0.1
60.04526	0.1
67.01868	1.6
67.05501	0.2
68.99433	0.1
68.99793	1.4
69.03429	0.1
69.07065	0.2
69.23058	0.1
69.23367	0.7
71.04993	0.2
76.34021	0.1
79.05492	0.5
81.03429	0.2
81.07077	0.4
83.08627	0.1
84.04517	0.3
84.08140	0.3
85.02889	0.1
85.06545	0.2
86.09695	0.1
89.03924	0.9
91.05473	0.2
93.07047	0.3
95.04988	0.1
95.08603	0.2
97.02859	0.1
97.06534	0.4
97.10210	0.1
98.97598	0.2
102.09143	0.1
103.05481	0.1
104.47986	0.1
105.07014	0.3
107.01253	0.1
107.04961	0.4
107.08585	0.2
109.02925	0.1
109.06512	0.1
109.10142	0.1
111.00803	0.2
111.04462	0.2
115.05493	0.1
116.10743	0.4
117.03381	0.8
117.07029	0.1
119.04984	0.1
119.08579	0.1
121.10156	0.2
123.04485	0.1
125.02402	0.1
127.03924	0.1
128.06219	0.1
129.01831	0.3
129.07013	0.2
130.04945	0.1
130.08591	0.2
131.04935	0.2
131.08562	0.1
132.15749	0.1
133.10120	0.2
135.04419	4.7
135.09093	0.1
135.11667	0.1
137.02348	1.3
137.03404	0.1
137.06036	0.1
139.05420	0.2
143.03389	0.1
143.08546	0.1
145.03920	0.1
147.04393	0.1
147.11778	0.1
151.03879	0.2
153.01831	11.6
153.10208	0.1
154.02254	0.1
157.06508	0.3
159.11661	0.1
161.02341	1.3
162.69901	0.1
163.07622	0.1
167.04939	0.2
169.06567	0.1
169.10092	0.1
171.02899	0.9
171.04413	0.2
171.11317	0.2
172.09700	0.1
173.05939	0.1
175.03897	0.1
177.05449	0.1
179.03413	0.5
184.05084	0.1
185.05972	0.4
189.05505	0.1
195.13794	0.1
199.03909	0.1
203.03413	0.3
203.07097	0.1
209.16397	0.1
213.05402	0.5
216.04115	0.1
219.06508	0.2
227.03467	0.1
227.07138	0.2
231.06454	0.2
241.04927	1.3
245.04494	0.2
258.05344	0.1
259.06009	0.2
263.05527	0.2
269.04443	0.9
269.18732	0.1
279.76340	0.1
286.04593	0.1
287.05499	100.0
288.05807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.05495	0.2
57.03416	0.1
61.67480	0.1
67.01875	1.7
67.05484	0.2
68.99782	1.3
69.03415	0.1
69.24214	0.3
69.24635	0.9
71.04980	0.2
73.02908	0.1
73.92403	0.1
79.05492	0.5
81.03397	0.1
81.07056	0.3
85.02905	0.2
89.03919	0.6
91.05477	0.3
93.07025	0.3
94.06593	0.1
95.08599	0.2
96.78272	0.1
97.02887	0.2
97.06525	0.3
98.97581	0.5
103.05450	0.2
105.07031	0.3
107.04930	0.4
107.08601	0.2
109.06493	0.1
111.00806	0.2
111.04462	0.2
116.98647	0.2
117.03386	0.8
121.10072	0.2
125.05950	0.1
127.03874	0.1
128.06245	0.2
129.00105	0.1
129.01793	0.2
129.06987	0.2
131.20094	0.1
133.10094	0.2
135.04427	4.5
136.61362	0.1
137.02321	1.3
143.01918	0.2
145.10037	0.2
147.04428	0.2
148.05090	0.1
153.01834	11.0
157.06505	0.2
161.02299	1.3
161.03293	0.1
162.05518	0.2
171.02878	0.7
171.04329	0.3
177.00665	0.2
179.03508	0.3
181.06589	0.2
185.05977	0.2
197.06084	0.2
199.04059	0.2
203.03539	0.2
207.06332	0.2
212.04698	0.2
213.05502	0.5
219.01682	0.2
224.10564	0.1
227.06985	0.3
240.10139	0.3
241.04977	1.6
242.11713	0.6
245.04332	0.2
258.05386	0.2
258.11212	0.3
259.05930	0.2
269.04404	1.0
269.12744	0.2
270.11230	0.5
286.04810	0.1
287.05505	100.0
288.05789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.8
69.03445	0.4
69.10836	0.4
70.06586	1.7
70.70611	1.2
70.98030	0.4
79.05477	0.6
81.07055	1.0
84.08138	0.8
89.03928	0.7
96.06879	3.3
98.97569	1.1
116.98624	0.5
121.19776	0.4
124.99100	0.7
125.07123	4.7
130.93306	0.6
135.04401	0.7
143.00102	0.7
145.02795	0.6
146.06050	0.4
161.02869	0.5
163.03893	3.7
171.07668	8.7
172.94330	0.9
255.52261	0.4
267.03848	0.7
269.15015	5.0
272.09457	0.5
287.11023	100.0
287.15628	9.8
288.11597	1.0
291.03903	0.7
309.05084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60000	0.4
52.25261	0.4
53.03939	1.0
55.05506	0.9
56.96566	1.4
65.03947	0.7
67.05498	2.1
69.03436	1.1
69.07067	74.3
69.37837	3.4
70.06586	2.2
71.04988	1.1
72.08151	0.7
74.71090	0.4
79.05489	1.5
80.05835	0.4
81.03413	1.2
81.07052	1.0
83.04992	0.5
83.08610	0.4
84.04510	0.6
84.08124	0.6
86.09709	0.8
87.46783	0.4
88.77931	0.4
90.37597	0.4
91.05489	3.7
93.07042	1.4
94.06587	1.0
95.04961	1.9
95.08610	0.9
97.02901	1.3
97.06520	1.4
98.97589	3.1
99.08650	0.4
100.11250	0.5
103.05453	0.6
104.58135	0.6
105.03393	3.0
105.07043	0.9
107.04961	0.9
109.06497	0.6
112.07615	1.1
112.08723	0.5
112.99107	0.8
116.98637	0.9
117.03352	1.0
118.06561	1.1
119.04929	1.8
119.08570	1.2
120.08103	2.3
121.02871	1.0
122.06014	3.5
123.04520	0.6
128.98572	0.7
131.00189	0.8
131.04933	0.5
131.08574	0.6
135.04381	1.1
140.07063	100.0
141.07399	0.7
145.02837	1.4
145.10083	0.6
146.06032	1.8
147.04382	1.1
148.07573	30.8
149.01241	0.7
149.05971	1.1
153.01863	1.2
155.08754	0.4
157.06474	0.5
158.99664	0.8
161.22993	0.4
164.06996	0.4
174.05565	2.2
175.03903	2.2
177.00757	0.6
177.05473	3.4
184.07591	0.6
186.07600	0.5
186.09146	0.4
189.00710	0.5
193.14154	0.5
196.84946	0.5
197.08313	0.5
205.03687	0.5
207.06502	4.2
212.04276	0.5
213.10152	0.6
214.08511	0.5
214.12204	0.7
215.03752	1.1
219.01773	0.8
223.04861	1.2
226.12283	3.0
227.07048	1.1
241.09717	0.5
241.13281	0.6
242.11732	3.9
243.14960	1.4
246.06374	0.5
269.04315	0.4
269.09039	0.7
269.12766	1.0
270.11130	1.9
287.05432	12.3
287.10101	2.7
287.13821	10.1
287.17093	2.2
288.08728	0.5
308.18521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62580	1.1
54.81238	0.9
55.05501	2.1
55.38430	0.9
56.53894	0.9
56.96568	2.1
57.03440	1.4
66.04738	1.1
67.01852	1.3
67.05505	5.4
68.05012	1.9
68.99776	1.7
69.03427	2.3
69.07070	20.3
70.05688	3.4
70.06584	3.4
71.04998	1.8
72.08162	4.5
76.48277	0.9
79.05486	5.2
80.05008	2.2
81.03378	1.1
81.07059	3.1
84.04491	2.1
84.08134	2.1
85.02907	1.6
86.09698	3.4
88.34641	1.0
89.03899	1.0
90.35226	0.8
91.05482	9.0
93.05772	3.7
93.07053	2.7
94.06576	18.7
95.04952	3.3
97.02911	1.4
97.06535	5.6
98.97579	2.7
101.57260	0.9
103.05464	1.8
103.31991	0.9
103.79430	0.9
104.05004	4.6
105.07045	3.3
107.04958	1.7
107.07394	0.9
107.08569	1.9
109.06545	1.3
110.06039	3.4
112.07600	3.0
116.04997	3.7
118.06548	91.2
119.01951	1.1
119.04913	0.9
119.07333	15.5
119.08584	1.2
120.08099	9.9
122.06033	30.2
122.45353	0.9
123.04433	2.0
124.07590	2.0
128.06194	1.3
129.10260	1.0
130.06538	2.7
131.08578	1.1
132.08099	1.6
133.08838	1.6
134.05983	1.7
135.04427	5.0
135.08139	1.1
135.48027	1.1
137.02365	1.5
137.06056	1.2
140.07071	31.4
142.08646	2.5
143.01817	1.5
143.08542	1.5
143.11821	1.6
144.08096	2.9
145.06499	0.9
145.10066	1.4
146.06006	28.8
146.09592	1.0
147.04396	1.1
147.06792	26.4
147.11736	1.1
148.07581	47.1
153.01820	9.4
153.06909	1.3
154.07806	1.2
156.08037	1.5
157.06512	1.9
157.08859	1.4
158.09669	3.6
159.06866	1.3
160.07581	2.1
163.03894	1.4
164.07066	6.6
165.06976	1.5
168.08109	1.2
169.06425	1.0
170.09683	2.9
171.03040	1.4
171.10457	2.9
172.11191	1.0
174.05524	2.6
174.09172	4.4
177.00563	1.1
177.05460	1.3
179.03291	1.1
181.08879	2.1
182.09659	2.2
183.10437	1.8
186.09169	3.9
188.10709	4.8
189.11409	6.4
196.07706	1.7
196.11188	2.8
197.09518	1.3
198.09262	4.8
198.12831	3.7
199.09889	9.1
200.10773	1.5
206.09634	1.7
207.06761	1.0
209.02795	1.0
210.09227	2.2
210.11302	1.2
213.13846	2.2
214.08842	1.6
214.12302	16.1
215.10156	1.9
216.13838	3.4
218.08128	1.6
224.10765	5.0
225.10214	1.5
226.08725	1.1
226.12502	8.1
227.09483	1.5
241.04865	1.5
241.09688	2.1
241.13368	5.0
242.08067	1.9
242.11778	48.7
243.14935	57.8
251.11877	1.5
252.10208	2.3
253.09702	1.4
254.10579	2.4
259.14417	4.3
269.10709	0.7
269.12860	24.1
270.11255	69.5
271.11710	1.2
287.05511	100.0
287.10471	3.9
287.13876	43.9
287.17044	2.2
288.05878	1.4
305.14948	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	287.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01866	0.9
55.05487	1.8
56.96558	1.2
57.07067	0.7
65.03915	0.7
67.05508	7.3
68.05027	3.6
69.03423	1.5
69.07071	18.5
69.34961	5.2
70.06586	2.0
72.08157	0.8
79.05486	3.2
80.05010	3.7
81.03394	0.7
81.07057	0.9
84.08133	1.3
86.06068	0.7
86.09718	1.3
87.04440	0.7
91.05488	2.5
93.05768	1.2
93.07062	1.4
94.06570	41.8
95.04962	6.0
95.15302	0.5
96.04501	1.3
97.02849	1.3
97.06528	2.3
98.06059	1.4
98.69954	0.6
98.97562	1.9
100.07584	0.8
100.37208	0.6
105.04509	0.6
105.07059	1.2
107.04986	0.7
110.06059	1.3
112.07611	5.6
118.06527	4.1
119.07336	1.6
119.08624	0.8
120.08099	6.3
122.06036	77.5
123.04456	3.8
140.07066	98.7
141.07314	0.7
143.08527	0.7
143.84856	0.6
144.08101	1.3
146.06004	4.0
147.06834	0.9
148.07576	100.0
149.07909	0.8
164.07086	0.8
171.10440	0.9
174.05525	0.7
174.09007	0.7
186.09241	1.2
188.10724	0.7
189.11520	1.0
199.09908	1.6
211.14665	0.6
212.10771	0.6
214.12288	2.2
217.52777	0.7
226.12366	1.4
227.07008	1.2
227.13885	0.8
242.11755	7.2
243.14958	6.5
269.12881	2.5
270.11249	10.3
287.05530	5.2
287.10281	2.2
287.13937	13.1
287.17026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.9
55.01875	19.3
55.05515	15.6
56.66833	0.6
56.96564	2.4
57.03439	4.4
57.07077	0.8
63.65382	0.6
65.03956	0.7
67.05508	17.9
68.99790	0.8
69.03423	2.9
69.07067	5.9
71.04996	21.4
71.60114	0.8
75.04484	0.7
79.05501	12.1
79.06423	0.6
79.38819	0.6
81.03426	3.1
81.07066	16.7
83.04986	2.0
83.08624	6.7
85.02924	0.8
85.06542	3.7
87.04472	7.3
91.05490	8.0
93.07053	11.2
95.04994	3.2
95.05538	0.6
95.08612	8.2
97.06537	100.0
97.10162	9.6
98.97586	2.0
99.08147	0.9
103.05511	0.7
105.07046	5.1
107.04963	1.5
107.08591	8.9
109.06538	1.7
109.10163	12.4
110.97566	0.8
111.08080	2.8
113.06058	0.7
115.05465	0.7
116.98634	0.8
117.03383	0.6
117.07018	4.6
119.08572	3.5
121.06506	2.2
121.10149	4.4
123.08147	0.6
123.11713	1.4
124.07591	2.7
125.05997	0.7
125.09632	6.3
127.07594	0.9
129.07040	0.6
131.08614	3.5
133.10120	6.4
135.04407	2.9
135.08051	2.9
135.11708	2.7
137.06026	0.6
137.09508	0.6
143.08606	0.9
144.04434	0.8
145.10138	2.4
146.05983	0.7
147.11700	3.3
149.09641	1.1
149.13277	3.8
153.01845	6.5
156.08020	0.7
157.10126	1.8
159.11708	5.5
161.13228	0.9
164.07080	1.4
167.14305	1.2
171.11697	0.6
173.13274	1.4
176.07071	2.4
177.12794	5.6
181.06468	1.9
189.10464	0.8
189.11272	0.9
192.10988	1.1
195.13814	42.5
197.10065	0.9
198.10851	3.8
199.07561	0.9
199.14816	0.8
201.16414	1.1
207.11540	3.1
212.04662	0.8
213.14854	17.9
213.16771	1.3
226.06244	0.6
227.07057	4.1
230.92729	0.7
241.05127	0.7
241.08690	1.2
255.06551	1.9
259.05698	0.7
269.12994	1.1
269.17477	10.0
269.22568	1.8
272.06772	0.7
273.13522	1.0
279.13507	0.8
287.05551	52.3
287.09097	4.3
287.14017	3.4
287.18561	28.8
287.23419	6.3
288.05786	0.8
288.14102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.03937	4.8
55.01867	1.7
55.05289	1.8
55.05509	18.6
56.96544	3.0
57.03429	2.2
57.07064	6.2
65.03950	1.8
67.05509	25.2
69.03411	3.0
69.07066	26.3
70.89857	2.8
70.90222	2.2
71.04996	17.7
79.05489	25.7
80.05814	1.8
81.07058	71.3
83.04965	3.3
83.08627	10.5
85.06548	3.8
91.04948	2.5
91.05478	26.7
93.06461	2.9
93.07049	57.6
95.04958	5.8
95.08611	51.6
97.06530	7.1
97.10160	4.7
98.97570	4.8
99.08082	3.5
103.05473	3.0
105.07029	74.0
107.08598	51.8
109.06520	6.1
109.10152	33.4
111.08091	3.4
113.09664	1.9
115.05436	2.2
117.07016	10.5
119.08579	83.7
121.06500	2.7
121.10146	47.9
123.08071	4.5
123.11703	16.1
124.07632	2.7
125.09629	5.2
127.11187	15.5
128.06226	2.7
129.07002	4.7
130.07751	1.8
131.08566	24.0
133.10141	34.0
135.11708	15.5
136.07578	2.2
137.09616	4.5
137.13229	4.8
139.08632	1.6
139.26941	2.1
141.12749	1.6
142.07784	3.4
143.08585	12.1
144.09302	2.0
145.10124	54.5
147.08086	2.0
147.11690	42.2
149.09612	5.5
149.13252	15.1
151.11133	3.6
152.48987	1.6
153.12801	2.1
156.09340	2.6
157.10126	25.1
159.11691	45.4
161.09644	4.4
161.13274	20.2
163.07506	2.8
163.11168	3.6
163.14864	4.7
165.12692	4.5
171.11707	12.1
173.13257	23.6
173.27448	1.6
175.11133	3.1
175.14861	9.4
177.12746	2.2
177.16359	3.2
179.14302	2.3
181.06549	2.8
185.13286	12.9
187.14821	10.0
189.16454	10.1
191.07024	3.2
191.14320	3.2
193.15730	3.5
197.13416	2.6
199.14838	13.6
201.16399	76.5
203.17815	1.8
203.64323	1.7
213.16357	15.5
215.17947	6.4
217.15916	3.4
219.17249	1.9
227.06941	5.0
227.17941	8.6
229.19531	3.9
231.17332	5.1
243.21098	3.6
269.13220	2.0
269.19806	2.8
269.22672	34.7
287.05478	11.5
287.09109	4.8
287.13135	8.6
287.23685	100.0
288.24088	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58408	1.0
55.01867	1.9
56.96567	1.5
57.03423	3.7
58.99878	1.3
61.02921	2.0
61.47305	1.0
62.18389	1.3
62.48549	1.1
65.75935	0.9
69.03439	5.4
69.30938	10.2
69.35368	0.9
70.06582	4.9
70.99846	2.0
71.04977	2.1
72.08155	3.2
73.02923	6.1
74.09715	1.6
77.00886	1.5
81.03417	3.1
81.04563	1.4
82.99866	4.6
84.08144	4.6
84.78375	1.0
85.01426	1.2
85.02911	11.0
89.00896	1.7
91.05428	1.1
97.01407	4.1
97.02876	7.3
98.97591	3.2
99.04459	2.4
100.56014	1.0
101.00890	54.7
102.02467	1.1
103.00622	1.4
103.02438	2.7
107.04943	1.1
109.02922	2.4
111.02952	1.4
113.00873	6.6
115.02445	19.9
116.07114	1.2
117.04045	2.5
118.08645	1.6
119.01929	100.0
120.02028	1.3
123.02977	1.2
126.98772	1.4
127.02457	2.1
127.03928	23.8
127.04889	1.8
129.03993	4.1
129.10272	1.7
131.01913	19.5
133.01720	1.5
133.03490	28.3
135.05067	1.6
137.02962	12.6
142.03513	1.8
143.01904	22.8
144.02046	2.5
144.99843	4.2
145.01633	2.5
145.03484	8.8
146.99683	1.3
147.01419	4.5
147.03152	1.1
147.05069	6.6
149.02985	3.4
151.04524	4.6
153.03868	1.2
153.54048	1.2
155.01892	8.0
157.03485	6.0
159.01398	2.3
161.02972	45.7
162.03128	2.1
163.02745	1.7
163.04135	1.9
167.01904	1.8
167.06950	1.4
168.99829	9.9
169.03523	2.1
171.01411	7.6
171.02682	1.1
172.99345	1.7
173.02953	16.3
174.04535	1.5
175.00812	2.4
175.02708	1.1
175.04529	3.5
175.11847	1.6
176.07712	3.7
177.02495	1.5
177.07809	5.0
179.03999	1.4
183.04999	3.2
185.02873	6.2
187.00911	26.2
187.04504	3.7
189.00873	1.7
189.02493	12.8
190.05809	1.6
191.04044	7.7
191.54114	1.7
196.99292	5.9
197.03032	3.1
198.55241	1.0
199.00917	10.3
199.04492	1.9
199.06349	1.8
201.00768	1.3
201.02440	4.4
203.00308	1.5
203.04065	7.6
205.02002	8.3
207.03461	2.9
213.07922	2.2
215.00395	31.3
215.03879	1.8
217.01976	15.7
217.05502	1.4
219.03522	9.3
221.03165	1.8
221.04961	6.0
227.04044	2.0
229.01920	7.4
229.07362	1.8
231.03491	2.9
231.08813	1.7
233.01399	3.0
245.05103	2.1
247.03017	27.8
247.05435	2.1
257.05020	3.3
259.03012	1.5
259.06699	1.3
259.44070	1.1
263.02545	1.8
265.04123	7.0
265.06549	1.4
271.08905	1.3
275.08063	1.2
277.04102	2.1
289.03955	4.8
289.07013	1.7
289.09750	3.0
289.15146	1.5
307.04956	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	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
56.96562	2.7
58.99845	2.0
60.05635	1.3
68.98283	1.3
69.03416	2.0
70.06604	10.3
70.65031	1.1
70.99866	2.6
71.18906	1.1
71.58929	1.9
72.08138	5.9
77.00905	1.7
79.80291	1.2
80.05832	1.1
82.99829	7.8
84.04455	1.6
84.08155	7.7
85.02882	3.0
86.09697	2.0
86.99310	1.6
89.00920	1.9
92.42669	1.4
94.06581	1.3
97.01388	4.5
97.02901	3.3
98.97578	6.2
101.00888	67.1
102.00961	1.5
103.02421	1.6
110.07130	1.3
110.97627	1.5
112.81873	1.2
113.00890	7.6
115.01646	1.6
115.02435	20.6
116.07036	1.5
116.98640	2.4
117.04005	1.5
119.01926	100.0
123.49643	1.5
123.52101	1.4
126.98735	1.8
127.03905	10.4
127.04872	2.3
127.08666	1.6
129.00375	1.4
129.03960	5.0
129.10229	1.6
129.21599	1.4
131.01915	16.2
133.03471	31.8
137.02974	11.5
143.01913	24.0
143.19958	1.6
144.99834	3.8
145.03465	9.1
146.08157	1.5
147.01399	2.6
147.05035	5.7
149.02972	3.5
151.04506	3.9
154.02837	1.4
155.01849	2.6
157.03394	6.5
161.02971	56.9
161.06552	1.5
168.99811	11.6
171.01364	13.0
173.02946	13.3
175.00894	3.7
175.04530	2.4
175.11932	2.8
176.07732	1.6
177.00719	1.5
177.02457	2.3
184.04269	1.5
185.02983	5.9
187.00906	26.6
187.04527	9.8
189.00891	2.1
189.02457	11.8
191.04018	7.7
196.99307	5.1
198.55177	1.4
199.00887	20.5
199.04353	2.8
201.02472	4.0
203.00369	2.1
203.03996	4.7
205.01961	10.4
205.05638	1.4
207.03554	3.0
215.00381	23.5
215.02258	2.7
217.01956	33.2
219.02197	1.5
219.03619	10.0
221.05063	2.4
229.01962	11.9
229.05571	3.8
231.03476	4.0
233.01338	3.1
234.99774	3.1
235.02950	2.3
245.01314	2.6
245.12796	1.7
247.02998	24.2
259.03162	2.9
259.06577	1.7
261.10132	3.1
263.02573	1.9
265.04056	5.4
271.08630	4.8
272.09354	2.5
274.07498	1.5
277.04099	4.5
288.08691	1.6
289.04333	9.1
289.07251	3.2
289.09766	20.9
289.12296	2.8
289.17599	1.6
289.20633	6.8
307.05078	9.2
307.08582	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	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
54.74651	0.8
55.01871	1.1
56.96567	7.0
57.03422	2.1
58.89442	0.8
60.04510	2.7
60.05636	1.1
61.02923	1.6
64.37890	0.7
67.05499	1.4
69.03434	4.6
69.79283	2.7
69.79677	1.8
70.06599	7.5
71.04992	2.1
71.06928	1.0
72.08157	5.1
73.02921	1.8
73.08459	0.8
74.06090	1.2
79.05497	0.8
81.03419	3.6
81.07066	1.6
83.04956	1.3
84.04497	1.1
84.08141	6.9
84.96027	1.3
85.02914	8.7
86.09705	3.2
86.85747	0.7
87.04450	0.8
89.03924	1.0
91.03941	1.1
91.05477	1.7
97.02896	5.2
98.97582	11.5
99.04473	1.7
100.07635	0.9
101.00887	1.1
107.04948	1.1
109.02854	1.9
109.06512	0.8
110.07177	0.9
110.97604	3.2
111.05554	1.0
116.07110	1.4
116.98606	5.5
117.03416	0.7
119.01889	1.3
121.06418	1.1
123.04499	1.1
124.99075	1.0
125.07134	1.5
127.03919	100.0
128.98615	2.8
129.10251	3.6
130.06523	2.8
131.01959	2.0
134.99661	1.9
135.04422	1.3
137.05930	1.2
140.07028	1.0
143.00140	1.9
145.05042	1.5
146.99644	2.1
147.04413	1.2
150.99176	1.1
157.07614	1.9
158.06024	3.0
158.99684	3.3
161.03014	0.8
162.05464	1.0
163.03905	5.0
165.06952	1.0
167.06996	1.3
170.99628	1.2
172.05069	0.9
175.08716	1.7
175.11931	1.8
177.00725	2.6
185.01271	0.9
189.00684	1.0
189.05544	1.1
190.73772	1.0
199.08226	2.6
200.04449	1.3
201.05498	1.0
211.07452	0.9
219.01756	1.6
221.05066	1.3
237.02962	2.1
243.07866	0.9
249.02647	0.9
261.10632	1.1
265.06412	2.0
267.00256	1.6
267.04068	1.2
271.16705	1.2
272.09500	1.3
272.13422	1.4
274.04340	1.1
280.06989	0.9
288.08853	1.1
289.06146	4.4
289.09610	11.2
289.12589	88.4
289.20657	3.9
290.13028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03932	1.6
55.01871	4.0
55.05516	11.0
56.05033	2.9
57.03443	16.0
57.07078	5.0
58.07387	1.3
58.26774	0.7
65.03934	0.7
67.05508	8.5
69.03433	1.7
69.07072	3.5
70.06609	1.7
71.08626	2.3
71.41576	1.1
74.06086	5.9
75.06407	1.1
79.05501	11.6
81.03425	5.2
81.07064	8.4
81.39890	0.7
83.04987	1.6
83.08661	3.9
83.39366	0.6
85.02891	1.3
88.07637	18.5
89.07962	4.4
91.05489	14.3
93.07053	7.2
95.04964	3.2
95.08601	4.8
96.20921	0.7
97.02866	1.2
97.06552	1.4
97.10170	4.4
103.05439	1.2
105.07043	7.1
105.20360	0.6
106.08684	3.6
106.12215	0.7
107.04962	8.0
107.08566	5.8
109.06525	3.2
109.10147	3.2
111.08083	0.8
115.05447	1.0
117.07028	7.2
119.08588	15.8
121.06487	6.6
121.10135	1.8
123.04424	1.7
123.08057	1.5
125.09641	2.4
127.03928	38.5
128.06223	1.9
129.07013	3.9
131.04958	3.8
131.08574	5.4
133.06494	2.7
133.10143	2.2
135.08069	9.3
137.09702	1.0
141.07010	1.5
143.08606	3.6
144.05717	1.3
145.06538	4.7
145.10089	2.9
146.07240	0.8
147.08064	7.1
147.11679	1.1
149.05966	1.7
149.09584	2.4
155.08574	2.4
157.10170	2.3
159.08064	30.2
159.09386	1.6
159.11703	2.2
160.08844	6.0
161.09653	3.9
163.07571	2.3
168.09456	0.9
169.10138	2.3
171.11703	2.1
173.09615	4.1
173.13327	0.8
175.11156	1.4
177.09126	2.7
183.11711	1.3
185.09628	2.5
187.11208	1.2
187.14796	2.1
189.12749	1.0
193.12222	1.1
197.09499	1.5
197.13251	1.7
199.11096	1.0
201.12778	0.8
215.14236	3.8
227.14259	0.7
229.15828	0.9
233.15385	10.8
242.24870	1.5
243.17479	3.7
243.25096	6.2
253.15848	4.5
261.18442	1.9
271.16953	20.7
289.18002	100.0
289.25665	25.0
289.29242	17.1
290.18384	1.7
290.26883	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	289.2162
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.03948	2.3
55.01872	1.6
55.05515	13.0
56.71322	0.6
56.96575	1.1
57.03437	1.3
57.07080	1.8
59.66854	0.6
61.02924	1.4
67.05514	9.6
69.03432	2.3
69.07069	6.8
71.04986	1.2
71.08621	1.0
71.60220	0.5
71.60604	1.0
73.06544	0.6
79.05505	9.8
80.40398	0.8
81.03425	1.0
81.06631	1.1
81.07063	13.4
83.04993	1.6
83.08630	2.9
85.02920	5.0
85.06544	1.4
86.09713	0.8
91.05487	15.8
91.06063	0.9
92.27806	0.8
93.07055	12.7
93.85783	0.6
95.04972	2.2
95.08615	9.3
97.02921	1.2
97.10165	1.9
99.04466	1.2
104.10746	1.4
105.07035	24.8
107.04969	1.2
107.08596	12.0
109.02852	0.8
109.06544	4.1
109.10140	3.8
111.08087	0.6
115.05441	1.2
117.07021	5.2
119.08587	20.0
119.52099	0.7
121.06519	8.2
121.10144	4.9
123.08076	2.8
123.11705	1.5
125.00019	1.0
127.03926	100.0
129.06998	1.7
131.08569	7.8
133.10139	12.1
135.08084	4.4
135.11694	3.0
137.09584	0.8
143.08586	2.0
145.04984	0.9
145.09029	1.0
145.10127	8.7
147.08043	2.3
147.11699	8.8
149.09583	1.1
149.13263	1.8
151.11243	1.3
155.08536	1.2
157.10173	2.1
159.08052	1.0
159.11713	6.5
161.09641	1.4
161.13269	5.1
163.11224	5.4
165.12758	1.3
169.10086	1.1
171.11687	1.9
173.09631	1.6
173.13281	5.1
175.11281	1.0
175.14879	1.9
177.12756	7.5
183.11740	2.1
184.07405	0.9
185.13223	1.0
187.11275	1.0
187.14819	2.2
189.12648	0.9
189.16447	1.3
191.14320	1.8
197.13290	1.9
199.15027	0.7
201.12703	1.4
205.12108	0.8
205.15916	1.0
211.14783	1.0
215.14404	0.9
229.15903	0.8
229.19455	1.0
233.22589	0.7
239.17953	1.7
243.21136	0.8
247.16969	0.9
253.19490	1.3
257.19083	3.6
261.22144	6.8
271.16925	2.8
271.20496	2.5
289.18146	4.6
289.21619	45.7
295.12140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.09295	0.9
52.36471	0.8
52.87571	0.8
53.03947	3.0
55.01868	1.6
55.05252	1.2
55.05510	15.4
56.96553	1.9
57.03420	1.4
57.07076	5.1
65.03938	1.5
66.75316	0.8
67.05509	23.3
69.03422	3.2
69.07072	30.6
70.25890	2.1
70.26290	1.7
71.04971	3.3
71.08627	1.9
79.05058	1.1
79.05502	21.8
81.03414	2.6
81.07061	100.0
81.45155	0.9
83.04964	0.9
83.08617	10.4
84.04527	1.3
85.02904	3.4
85.06560	4.5
91.05484	14.7
93.07049	48.7
95.04967	7.2
95.08612	43.7
95.09226	1.7
97.02896	1.8
97.06518	6.6
97.10186	5.8
98.97570	3.1
99.08121	1.3
103.05419	1.0
105.04495	1.2
105.07032	25.1
107.08600	51.4
109.02869	1.5
109.06541	4.9
109.10165	38.2
111.08101	11.0
111.11699	1.6
113.09646	1.4
117.07006	2.7
119.08591	18.2
121.06493	0.8
121.09289	1.7
121.10145	26.1
123.08048	3.3
123.11714	29.2
125.09624	3.4
127.03925	46.8
131.08568	5.2
133.10132	25.9
135.08124	1.8
135.11697	17.3
137.09653	2.5
137.13231	6.1
139.11162	1.5
143.20416	0.9
145.10121	8.2
147.08081	1.4
147.11694	15.4
149.09613	1.8
149.13261	18.2
151.11195	20.8
151.14841	0.9
153.12749	1.7
159.11688	9.8
161.13257	15.9
163.11209	3.7
163.14824	13.1
165.12778	8.7
173.13271	5.4
175.14856	12.9
177.12790	6.2
177.16411	6.4
179.14301	1.7
184.81401	0.8
187.14787	4.0
189.16397	8.7
191.14366	0.9
191.17915	2.8
193.15936	1.3
201.16296	4.2
203.17950	6.7
205.15778	1.5
207.06506	1.2
207.17496	1.2
208.12003	1.0
215.17947	5.3
217.19492	2.0
219.17442	1.2
220.36708	1.0
229.19582	2.1
231.21106	1.6
233.18982	2.3
243.21196	1.6
245.22653	14.7
271.16971	1.2
271.24268	9.1
289.10654	3.4
289.14752	2.1
289.18173	3.6
289.25266	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03934	4.0
55.01868	3.2
55.05511	20.9
56.96550	2.0
57.03437	3.0
57.07072	9.0
65.03933	2.0
67.05176	1.7
67.05508	28.3
69.03419	4.7
69.07071	47.4
69.94491	4.2
69.94894	2.4
71.04984	3.0
71.08617	4.3
73.02895	1.6
79.05495	27.0
81.03425	3.1
81.07059	100.0
83.04985	3.8
83.08620	18.5
85.02894	4.8
85.06552	6.5
85.10155	2.1
91.05474	17.9
93.07047	58.2
95.04980	7.9
95.08609	57.4
95.09228	2.6
96.08945	1.4
96.42294	1.3
97.02863	1.4
97.06528	8.4
97.10170	8.1
98.97583	3.8
99.08095	1.5
105.07034	27.8
107.08595	51.5
109.02891	1.7
109.06510	8.2
109.10156	42.4
109.10905	2.0
111.08083	9.6
111.11679	3.5
111.12420	1.3
113.09600	1.8
117.07013	3.2
119.08579	29.7
121.10143	35.1
123.08064	4.4
123.11701	27.0
125.09614	5.4
127.03921	52.0
129.06981	2.2
130.07761	2.1
131.08557	9.2
133.06465	1.4
133.10124	21.0
135.08046	2.7
135.11707	23.2
137.05998	2.1
137.09625	4.0
137.13254	9.4
139.07507	1.3
139.11162	3.0
143.08540	2.4
145.10138	14.3
147.08054	2.1
147.11676	21.4
149.09628	3.6
149.13260	23.8
150.10376	1.3
151.11212	11.2
151.14780	1.5
153.12793	1.9
157.10066	1.6
159.08104	1.4
159.11699	17.2
161.13271	14.7
163.11156	5.7
163.14815	10.7
165.06920	1.4
165.09132	5.0
165.12752	10.3
173.13258	8.3
175.14806	13.3
177.12741	7.9
177.16405	6.8
179.14330	2.0
187.14810	6.5
189.16374	9.5
191.18016	2.5
193.15692	1.8
201.16414	6.5
203.17953	6.1
207.17503	2.0
214.60785	1.4
215.17964	9.2
217.19528	3.0
229.19485	2.5
231.21075	2.1
233.19077	2.5
245.22649	12.6
260.51035	1.4
271.16943	2.6
271.24207	17.5
280.14264	1.5
289.10742	2.5
289.18155	5.5
289.25247	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	2.6
56.96280	3.1
56.96564	56.9
60.04508	7.3
70.06592	9.6
70.06928	1.8
71.60471	2.9
72.08139	4.9
74.06060	7.7
74.97576	2.4
81.03413	2.8
82.95713	1.7
83.06101	2.0
84.04526	8.6
84.08126	2.8
84.96021	5.2
85.02888	5.0
86.09697	15.9
89.03904	4.9
95.47792	1.7
98.97570	24.8
114.97034	2.3
116.89737	1.7
116.98579	15.2
117.03369	4.9
124.99117	29.3
126.05554	2.6
127.03931	15.1
128.04242	10.4
128.98557	2.4
131.00104	2.4
131.08145	9.8
132.10222	8.5
132.97980	2.8
134.99594	4.2
135.04416	4.6
139.00627	2.3
141.02151	3.6
143.00168	74.5
145.02792	3.8
150.99121	6.8
152.98589	4.1
158.99680	5.0
159.03249	4.3
159.07701	9.5
159.11290	1.9
160.97536	2.3
160.99919	3.6
161.01218	50.2
163.03912	25.8
164.04271	2.5
166.01752	2.1
167.00146	3.6
170.99648	13.8
174.98961	3.1
177.00661	3.4
178.64081	1.8
178.98529	2.9
179.02319	4.1
185.01237	12.9
189.00706	19.3
189.12350	2.5
190.98289	1.9
193.00262	2.7
202.98468	7.2
203.02231	7.9
207.01808	3.1
213.00598	2.4
220.99715	2.2
231.01591	9.6
239.00612	2.2
242.03387	6.3
248.99011	2.9
249.02820	59.3
254.03413	2.1
260.04367	7.3
267.00232	18.3
267.03848	100.0
272.04468	21.8
285.01315	10.3
285.04895	43.0
290.05457	23.7
290.12683	3.3
290.15631	3.2
308.06418	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	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10788	0.7
56.96567	46.9
57.03432	0.8
67.05500	1.4
69.03445	1.3
69.07066	2.2
70.06580	1.1
71.04964	0.7
71.59589	0.9
71.59956	0.7
71.95256	2.4
72.08150	1.5
72.96027	0.7
79.05486	1.6
81.03426	3.6
81.07053	0.9
83.04966	0.6
84.04517	0.9
84.96032	12.6
85.02917	3.1
91.05476	2.6
95.04999	1.5
95.08614	1.5
97.96792	1.2
98.97587	100.0
99.97929	0.8
102.97080	0.9
105.07038	1.4
109.10208	0.7
110.97573	49.9
112.99132	14.6
115.05478	1.1
116.98627	42.3
119.00185	1.6
119.04937	2.2
123.04424	5.0
124.99126	1.9
126.97040	1.5
127.03931	1.9
128.98615	52.6
131.00171	17.9
133.02791	0.7
133.06467	0.7
134.06021	0.8
134.99651	11.2
136.99135	0.8
137.06107	0.8
139.03908	7.6
140.00215	2.1
140.98576	1.8
141.85851	0.6
143.00185	6.6
144.98125	4.9
146.06036	0.9
146.99658	26.9
147.03343	1.1
147.04408	11.0
149.01207	9.0
152.00156	1.2
153.00755	1.1
154.01830	0.7
154.99071	0.8
155.00174	2.9
158.99637	8.3
159.06781	0.7
159.08133	0.9
161.01215	8.6
161.05986	1.1
162.99196	4.6
165.00717	3.0
165.05524	1.1
170.01308	1.2
170.99655	33.5
173.01227	9.7
174.99086	0.9
175.07555	0.7
176.67163	0.6
177.00711	6.7
179.02258	1.0
181.00290	0.7
182.99664	3.5
186.99185	1.2
189.00719	88.7
191.02319	4.8
201.00729	7.8
205.00235	0.8
207.01772	16.8
207.06584	1.0
212.02357	4.3
213.00745	3.8
217.13428	0.8
218.11800	1.1
219.01810	5.6
229.16299	1.8
231.01726	9.7
237.02835	0.8
249.02844	20.2
267.03894	4.5
272.04285	0.8
273.02191	1.3
273.12326	1.1
273.18884	2.2
291.03500	0.9
291.10574	0.9
291.13312	1.8
291.18106	3.3
312.51447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05509	1.3
56.96568	51.5
58.21412	0.6
67.05511	1.7
69.03425	0.9
69.07072	4.0
69.80844	3.1
70.04783	0.6
70.06564	0.9
71.05019	0.6
71.95261	3.8
72.08157	1.0
74.97632	0.8
78.21513	0.7
79.05489	1.4
81.03406	2.4
81.07064	1.7
84.04509	0.9
84.96041	13.2
85.02903	5.3
85.06507	0.8
91.05476	2.7
93.07048	1.5
95.04966	1.1
97.02891	1.4
97.96838	0.6
98.97588	94.4
99.04437	0.9
100.99136	1.0
102.97081	1.2
103.05450	0.6
105.07044	1.2
107.08607	1.3
109.02867	1.2
110.97575	62.5
111.04458	0.9
111.08086	1.0
112.99134	18.0
115.05421	0.8
116.98628	39.3
119.00213	1.8
119.04939	2.9
119.08598	0.6
121.10168	0.7
123.04433	10.7
123.08076	0.7
124.99104	0.9
126.97026	2.6
127.03894	2.0
128.98615	63.0
129.10236	0.7
131.00174	19.2
131.78271	0.6
134.99667	12.8
136.99089	0.8
139.03911	16.5
140.00224	1.7
140.98567	1.0
143.00180	3.7
144.98132	6.2
145.01718	0.8
146.06027	1.0
146.99658	33.7
147.04410	10.2
149.01234	8.8
152.00194	1.6
152.98715	0.7
154.01733	1.1
155.00162	5.4
158.01334	1.0
158.99652	8.2
161.01263	3.8
161.05969	2.0
162.99167	5.1
165.00758	3.7
165.05469	2.3
167.02211	0.9
170.01274	1.6
170.99663	38.5
173.01218	11.0
177.00728	5.5
177.05461	0.9
182.99683	1.6
186.99167	3.0
189.00717	100.0
191.02278	3.9
201.00691	3.6
205.00018	0.8
207.01764	17.5
207.06560	1.9
212.02324	4.2
213.00688	4.1
218.11644	0.7
219.01718	1.8
231.01776	10.2
249.02838	15.2
267.03906	4.9
273.02200	1.0
273.18756	2.2
283.97311	0.7
291.03558	0.9
291.08560	2.3
291.13455	1.4
291.17813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0976
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
53.03370	1.0
55.05502	3.8
55.89309	1.0
56.96555	4.6
62.93696	0.9
67.05492	2.0
69.03410	1.6
69.07051	1.5
72.08127	1.9
79.05473	2.5
81.03422	2.5
81.07047	4.4
81.68137	1.0
82.06551	1.3
82.32000	1.3
83.04984	1.3
83.08594	1.6
84.08112	1.6
84.96022	1.4
87.00816	1.1
88.03984	1.8
91.05473	2.6
93.07053	2.6
95.04978	1.1
95.08607	1.8
97.27773	1.0
98.97581	11.0
100.11237	3.5
103.05466	1.2
105.07011	2.1
107.08607	2.2
109.10165	1.2
110.06062	1.6
110.97573	6.5
111.04408	1.7
112.99154	1.7
115.05459	7.4
116.98618	4.6
117.05786	1.1
117.06996	2.7
118.06545	14.3
119.04961	1.6
119.08614	1.2
121.10107	1.4
127.04005	1.2
128.98595	5.6
129.04367	1.1
129.06979	1.9
130.06535	100.0
131.00204	1.6
131.04938	3.3
131.08559	1.7
132.08099	40.9
132.09106	2.1
134.99731	1.2
142.06532	12.5
143.08554	1.1
144.08081	8.6
146.06010	22.8
146.99641	1.8
147.04408	2.6
147.11639	1.1
154.06548	1.5
156.02916	1.3
156.08127	4.4
157.07640	6.5
158.06024	2.4
158.08380	3.9
159.09181	97.3
160.07568	8.7
161.01263	1.4
167.06061	3.0
169.07655	5.0
170.06017	36.7
170.99661	4.0
172.07610	2.7
174.04060	1.4
177.05464	1.3
181.07545	2.2
182.06006	2.1
182.15413	1.5
183.09190	7.1
184.07599	18.6
185.07111	49.8
187.08664	4.5
188.07063	42.2
188.08760	2.0
189.00674	9.1
199.08693	2.7
199.18085	1.3
200.07056	12.2
201.00725	1.1
201.10278	12.5
204.66441	1.3
209.07112	1.6
210.14899	2.1
217.08649	1.2
218.66188	1.7
227.08150	50.6
229.09644	1.7
231.01807	1.4
231.07777	1.7
245.09175	79.7
248.08350	1.1
249.02759	2.3
252.03130	1.2
255.07637	4.0
259.20636	1.1
263.11765	2.6
273.08630	6.8
275.11975	1.3
291.07233	1.9
291.11206	13.6
291.16602	2.4
291.19772	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01868	4.8
55.05514	8.7
55.39188	1.0
55.49747	0.7
56.96571	1.4
57.03444	4.9
57.07067	2.3
59.04995	1.5
61.02939	5.0
64.67961	0.9
67.05507	10.0
68.25601	0.8
69.03423	2.3
69.07070	39.5
70.03970	0.9
70.04300	4.4
70.06574	0.9
71.04992	3.1
77.03925	1.3
79.05051	1.1
79.05495	20.1
81.03420	2.0
81.07060	19.4
83.04978	1.9
83.08608	2.6
84.55220	0.9
85.06570	4.4
87.08100	2.4
89.03920	8.3
91.05492	6.3
93.07055	7.7
95.04972	4.7
95.08610	10.8
97.06535	86.4
97.10149	1.3
98.97575	3.4
103.05462	0.8
105.03365	1.6
105.07034	5.7
107.04975	4.2
107.08585	7.1
109.06525	1.4
109.10174	5.7
110.97563	1.8
111.08094	5.4
115.05471	1.1
117.03392	9.4
117.07005	2.2
119.04916	1.0
119.08614	4.8
121.06486	1.3
121.10138	4.2
123.08050	1.2
123.11655	4.2
125.09606	1.2
128.06197	1.3
128.98604	1.0
129.07028	1.1
129.09128	4.1
131.04863	1.6
131.08557	3.5
133.02870	7.1
133.10114	2.2
135.04425	10.4
135.08070	2.9
135.11723	1.9
137.09639	1.2
137.13286	1.7
141.06982	1.3
143.08513	1.2
145.02846	9.8
145.10120	1.9
147.04390	3.3
147.08023	1.1
147.11655	2.4
149.09590	2.2
149.13255	3.6
153.84105	0.8
157.03957	1.0
157.06509	1.8
159.04407	9.8
161.02347	33.8
161.09523	0.9
161.13263	2.0
163.03912	59.3
163.14832	1.3
169.06566	1.4
173.02348	79.0
175.11177	1.0
177.05391	1.6
185.06007	4.0
185.09602	0.9
186.03151	2.3
187.03902	3.1
187.07500	2.1
191.03421	2.8
195.07985	1.1
197.06018	1.7
199.04074	1.0
213.09106	1.5
215.07030	100.0
216.07422	1.4
217.04877	0.8
217.15875	1.1
233.08116	2.9
241.08600	8.2
259.09705	9.6
260.05704	1.0
273.11270	2.6
273.18448	2.7
291.09576	1.3
291.12271	4.0
291.15262	1.0
291.19482	5.7
291.23798	0.9
291.26572	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21395	0.6
53.03940	2.1
53.66372	0.7
55.01861	3.2
55.05288	0.7
55.05515	6.7
56.96560	7.4
57.03440	4.9
57.07066	1.5
59.04986	1.4
61.02932	4.5
63.02371	0.8
65.03925	1.0
67.05510	8.4
69.03421	2.7
69.07073	36.3
69.27387	6.9
70.42168	0.7
71.04984	2.2
77.03917	1.0
79.05498	17.2
80.27483	0.7
81.03418	1.1
81.07064	11.2
83.04972	1.2
83.08628	0.9
84.96056	1.1
85.06548	2.9
87.08102	3.2
89.03912	7.8
91.05486	5.3
93.07053	4.5
95.04989	5.4
95.08614	6.3
97.06537	90.5
97.10154	0.9
98.96995	1.1
98.97589	12.4
103.05460	1.5
105.03402	1.1
105.04509	0.9
105.07032	3.6
107.04942	3.6
107.08624	4.2
109.02839	0.8
109.06508	2.1
109.10167	3.5
110.97564	8.4
111.08077	3.9
112.08846	1.0
112.17786	0.7
112.99123	2.0
115.05453	1.0
116.98627	5.5
117.03374	9.3
117.07032	0.8
119.04947	0.9
119.08563	2.9
121.06517	0.8
121.10139	2.4
123.08070	1.8
123.11707	2.4
125.09624	1.0
127.03944	0.9
128.98596	6.9
129.07011	1.9
129.09114	3.1
131.00150	1.5
131.04919	1.9
131.08583	2.7
133.02863	7.7
133.06532	0.8
133.10178	1.9
134.99602	0.7
135.04428	12.5
135.08105	1.5
135.11687	1.9
137.13257	1.4
139.11179	1.3
141.06952	1.5
143.00169	0.9
143.08612	1.3
145.02876	8.7
145.03981	1.3
145.06448	0.9
145.10118	1.7
146.99649	2.2
147.04405	2.5
147.11673	2.3
149.09590	2.5
149.13246	2.3
157.06511	1.6
157.10236	1.0
158.99585	0.9
159.04436	10.3
159.08008	1.4
159.11702	1.7
161.02348	36.3
161.13326	0.9
163.03914	60.8
163.14752	0.9
167.08611	0.8
169.06432	1.2
170.99683	4.4
173.02357	74.2
177.00734	0.9
177.05475	2.2
185.05928	3.3
186.03149	1.8
187.03920	1.4
187.07578	2.8
187.14714	1.0
189.00714	10.0
191.03435	5.0
195.08116	1.1
197.05931	1.3
199.04031	0.8
203.08612	1.1
205.04811	0.8
207.01817	2.9
213.00598	1.0
213.09135	1.0
215.07039	100.0
217.04994	1.5
223.07220	0.8
231.08226	1.2
231.10199	0.8
233.08136	4.5
241.08650	7.4
248.08344	1.5
249.02795	1.2
259.07321	1.2
259.09650	9.9
273.11212	1.7
273.18491	3.0
276.07996	1.1
282.65701	0.7
284.53204	0.7
288.62622	0.8
290.65945	0.7
291.09933	2.6
291.12350	3.7
291.15646	1.7
291.19653	3.4
291.23193	1.5
291.26852	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	6.1
55.01880	11.8
55.05518	18.0
56.96549	2.1
57.03442	7.9
59.05005	2.2
65.03942	4.1
67.05513	46.7
69.03424	3.3
69.07074	9.3
70.00026	2.0
70.00300	7.6
71.04979	4.3
79.05055	3.3
79.05500	62.6
79.49613	1.4
80.77551	1.4
81.03416	6.9
81.07064	93.9
83.04961	6.1
83.08610	6.4
85.06541	3.7
89.20763	1.5
91.05488	36.7
93.07060	34.7
95.04979	51.5
95.08628	16.9
97.06539	4.1
97.10169	5.6
103.05476	2.5
105.07038	30.6
107.04969	23.6
107.08604	21.4
109.06528	100.0
109.10159	6.8
111.08084	4.4
115.05450	2.7
117.07032	17.5
119.04941	1.5
119.08586	20.7
121.06529	10.2
121.10113	8.7
123.08077	7.2
123.11672	2.0
125.09660	3.0
129.07024	11.1
130.07729	2.3
131.08560	14.9
133.06512	6.6
133.10147	8.3
135.08063	48.5
135.11673	7.6
135.16620	1.5
137.09657	1.7
142.07808	2.2
143.08578	9.2
145.10130	17.1
146.07230	2.0
147.08066	13.4
147.11708	3.7
149.09639	12.5
151.07535	2.1
155.08600	3.1
157.10129	6.6
159.08075	3.3
159.11736	5.7
161.09651	12.6
163.11183	6.2
165.09091	3.1
171.11699	5.4
173.09644	2.3
175.11203	3.0
177.12724	3.4
185.13167	1.8
187.11156	1.7
191.10768	2.4
195.11679	2.5
199.11223	1.8
199.14766	2.3
207.13708	2.0
217.15868	6.2
227.17838	3.0
229.39691	1.7
245.19095	3.7
249.14917	5.1
255.17418	5.4
259.32126	1.6
260.41724	1.6
273.18518	29.6
291.19577	57.3
291.26880	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	0.6
55.01880	1.7
55.05261	0.4
55.05513	6.9
56.31802	0.2
57.03434	0.4
57.07062	0.4
58.78646	0.2
59.04982	0.3
59.39684	0.2
65.03926	0.3
67.05163	0.3
67.05505	4.8
67.39940	0.2
69.03431	1.6
69.07067	3.5
70.00230	0.5
70.00617	0.6
71.04977	0.9
79.05500	7.0
81.03398	0.8
81.07057	5.9
83.04993	1.2
83.08620	3.2
84.73791	0.2
85.02870	0.3
87.04416	0.2
91.05483	6.6
92.06272	0.2
93.07044	5.9
94.04189	0.4
95.04971	2.9
95.08617	3.0
97.06531	0.6
97.10171	2.6
103.05479	0.4
103.61784	0.3
105.04445	0.3
105.07027	6.2
107.04958	3.3
107.08609	3.1
108.05709	0.7
109.02879	0.3
109.06503	0.9
109.10157	1.1
111.08064	0.5
115.05432	0.7
116.06206	0.6
117.07026	2.6
119.04958	1.7
119.08580	5.6
120.05709	0.8
121.06490	1.6
121.10138	1.6
123.08045	1.1
125.09628	1.4
128.06155	0.5
129.07001	1.7
130.07796	0.5
131.08574	3.0
133.06482	3.6
133.10127	1.4
134.07285	1.2
135.08096	1.2
135.11685	0.6
137.09656	0.4
142.07721	0.2
143.08568	1.3
145.06479	0.4
145.10114	2.3
147.08046	3.6
147.11678	0.6
149.09618	1.4
157.10146	0.7
159.08128	0.3
159.11708	0.6
161.09605	0.9
161.13354	0.3
162.10411	1.4
163.11153	0.8
163.62691	0.2
165.09160	0.5
169.10085	0.3
171.11737	0.6
175.11198	1.3
177.12646	0.3
185.13280	0.3
189.11156	0.3
223.13344	1.2
225.83243	0.2
231.17509	0.3
245.18925	0.4
249.14896	2.0
255.17488	0.3
261.14801	0.5
265.72980	0.2
273.18542	2.7
286.44080	0.3
291.19543	100.0
292.19897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.62258	1.1
53.03941	4.6
53.78194	1.1
54.50571	1.1
55.01876	11.2
55.05262	1.5
55.05514	23.1
56.96545	2.0
57.03439	9.3
57.07071	2.9
59.04994	1.5
65.03934	2.9
67.05509	29.8
69.03421	3.8
69.07069	14.0
69.76861	6.9
70.06574	4.3
71.04990	5.8
71.21066	1.1
75.11842	1.2
77.03953	1.2
79.05497	43.2
81.03416	8.9
81.07061	59.4
83.04967	5.3
83.08617	8.5
85.02898	1.7
85.06551	2.5
88.07623	4.7
91.04949	2.2
91.05482	29.6
93.07048	31.3
95.04974	19.6
95.08613	19.4
97.02824	1.4
97.06524	5.1
97.10168	7.6
98.97575	1.8
99.08090	1.7
102.09173	3.4
103.05494	1.5
103.09525	1.5
105.03365	2.3
105.04527	1.4
105.06384	1.8
105.07041	27.8
106.57540	1.2
107.04954	13.5
107.08591	20.6
107.20257	1.2
109.06538	21.3
109.10145	10.1
111.04463	2.4
111.08063	3.7
115.05464	2.2
117.07019	17.6
118.32218	1.1
119.04961	2.8
119.08584	30.2
120.05670	1.4
121.06520	14.7
121.10152	11.9
122.11769	1.1
123.08053	16.0
125.09669	9.7
128.06221	2.0
129.06989	9.1
130.07790	1.7
131.08575	17.0
133.06537	6.6
133.10150	8.8
134.07292	1.4
135.08055	19.3
135.11700	4.6
137.06082	1.4
137.09604	8.1
141.06902	1.1
142.07736	2.8
143.08615	8.6
145.06532	1.4
145.10120	16.3
147.08058	19.6
147.11703	5.0
149.09657	10.9
151.07553	3.4
151.11266	1.2
153.09082	3.2
155.04550	1.2
155.08630	1.2
157.10124	8.3
159.08072	2.4
159.11725	6.3
161.09619	10.3
163.11191	13.1
165.09122	6.3
169.10179	2.5
169.55247	1.2
171.11673	5.3
173.09740	1.3
173.13260	4.3
175.11185	4.1
176.84508	1.2
183.11690	1.4
185.13287	3.4
189.11201	3.0
189.12758	2.3
189.16440	1.8
193.12367	2.7
195.11560	1.9
201.12724	2.1
203.14243	1.4
207.13831	2.5
213.12721	2.5
213.16461	2.3
217.15900	4.5
219.13835	5.0
223.13300	3.5
227.17967	2.5
228.23354	1.9
229.23537	9.1
245.19087	4.7
249.14807	4.6
255.17404	5.9
263.20145	1.5
273.18500	37.6
277.48413	1.4
291.19556	100.0
291.27145	26.4
301.61954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	1.6
55.01617	1.0
55.01873	19.7
55.05508	10.1
56.04999	1.5
57.03176	1.4
57.03439	16.8
65.03938	2.9
67.05508	27.4
69.03416	1.6
69.07068	5.4
69.76295	4.9
71.04982	1.8
71.08668	0.8
74.06081	1.7
79.05495	42.9
81.07064	20.5
83.04982	1.5
83.08598	2.6
85.06552	4.2
88.07641	4.6
89.07957	1.6
89.88605	0.8
91.05485	31.3
93.07050	20.6
95.04977	21.1
95.08606	8.1
97.06529	3.3
97.10145	1.9
103.05421	1.0
105.07030	17.6
107.04959	12.2
107.08598	25.3
109.06522	64.3
109.10175	2.4
111.08080	1.6
113.05977	0.8
115.05446	3.8
116.06237	1.4
117.07006	14.3
119.04983	1.0
119.06080	1.7
119.08578	8.0
121.06512	4.4
121.10122	4.8
123.08067	2.4
128.06180	1.0
129.07004	6.9
130.07727	1.1
131.04922	1.2
131.08580	16.5
133.06488	2.3
133.10153	4.8
135.08061	100.0
135.11702	3.7
137.05952	1.0
137.09599	1.3
143.08597	6.1
145.10130	9.8
147.08035	4.8
147.11673	2.3
149.09644	8.4
149.13271	2.0
157.10118	6.1
159.08083	2.0
159.11653	5.2
161.09618	7.0
163.11215	1.4
169.10106	1.2
171.11679	2.8
173.13258	2.3
175.11189	2.5
177.12766	1.6
183.11649	1.7
185.13313	1.9
189.12762	1.2
195.11780	1.1
199.14850	3.6
201.12669	1.8
217.15892	18.7
219.13808	2.0
227.17920	1.9
233.58722	0.8
237.16420	1.1
243.25197	6.6
245.19125	1.3
255.17500	2.1
273.18512	20.9
291.19556	42.5
291.27188	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	1.4
55.05505	4.9
57.07059	3.0
59.04994	2.7
67.05506	6.5
69.03445	1.5
69.07046	2.1
70.36452	1.2
71.04971	3.3
79.05484	7.2
79.05884	1.2
81.03411	1.4
81.07059	8.1
83.04975	3.0
83.08595	4.1
85.06509	2.0
88.59089	0.9
91.05475	7.5
93.07048	10.6
93.34794	1.1
95.04977	5.1
95.08611	16.2
97.06517	3.2
104.57300	0.9
105.07031	12.0
107.04305	1.3
107.04934	6.9
107.08600	7.1
108.05762	1.4
109.06509	7.6
109.10113	3.1
111.08077	24.7
117.06995	1.7
117.73023	1.0
119.08576	10.1
121.06519	2.8
121.10130	8.2
122.07286	1.3
123.08073	37.4
123.11815	0.9
125.09622	1.8
129.07007	1.2
130.07808	1.4
131.08606	5.8
133.06493	2.9
133.10168	6.9
135.08069	5.4
135.11700	3.0
137.09589	3.3
141.05479	1.4
143.08543	2.4
145.10127	12.7
147.08014	3.1
147.11661	4.4
149.09624	6.8
151.07544	100.0
155.10620	2.2
156.09369	2.3
157.10126	4.0
159.08092	2.3
159.11688	4.3
161.09645	6.2
163.11177	3.8
171.11699	4.0
173.13263	5.7
174.10513	1.3
175.11188	5.0
177.09093	2.7
177.12685	1.8
179.10689	6.1
181.12216	1.4
185.13251	2.0
187.11226	2.5
187.14789	2.0
189.12740	27.9
191.10551	1.2
191.14323	5.0
192.11459	3.4
197.11719	14.9
197.13287	2.8
203.14313	1.6
205.12292	1.6
207.13799	66.4
211.14789	1.5
213.16389	2.3
215.14371	4.7
217.12221	2.6
231.17250	2.5
233.15349	15.5
235.13286	2.0
239.71866	1.1
255.17381	3.2
273.18524	7.6
291.19547	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02368	1.6
53.03944	6.4
55.01873	16.5
55.05514	45.8
56.96585	1.8
57.03421	6.9
57.07089	2.7
59.04981	1.7
65.03930	4.3
67.05505	47.9
69.03419	6.4
69.03756	1.6
69.07063	20.3
70.20778	5.4
70.21124	2.9
71.05011	8.1
71.06886	1.9
79.05495	83.4
80.04050	1.4
81.03411	6.5
81.07058	90.0
83.04987	11.7
83.08620	23.6
85.06539	3.3
91.05484	73.6
93.07052	59.7
95.04967	25.8
95.08611	34.9
97.06532	7.1
97.10177	23.9
100.51887	1.7
103.05465	4.0
105.03383	4.3
105.07034	58.0
107.04958	23.3
107.08599	37.3
109.06503	10.8
109.10162	10.7
111.08097	13.2
113.69365	1.7
115.05444	9.6
116.06222	5.8
117.07020	47.0
119.04938	5.4
119.08585	77.3
121.06510	24.2
121.10145	16.0
123.08084	13.8
123.11726	2.7
125.09616	14.9
128.06212	9.8
129.07004	19.7
130.07784	5.6
131.08566	55.6
131.40331	1.5
133.06464	10.5
133.10139	16.7
135.08041	14.8
135.11703	6.1
137.09621	4.9
139.11182	3.4
141.07005	3.4
142.07718	2.1
143.08562	29.8
145.06506	3.2
145.10126	53.1
147.08054	38.3
147.11673	8.5
149.09625	17.5
151.07542	19.3
151.92648	1.6
155.08568	3.2
157.06532	2.1
157.10155	16.3
159.08054	7.7
159.11708	16.0
161.09642	18.6
161.13182	2.5
162.28917	1.6
163.11166	8.8
169.10178	6.0
171.10307	2.9
171.11638	10.2
173.09593	4.1
173.13245	3.8
175.11197	7.7
177.09059	3.2
177.12804	3.3
181.10069	1.8
183.11731	2.5
185.13275	7.5
189.11189	7.2
189.12752	5.9
195.11664	7.3
197.11763	3.0
199.11211	3.8
199.14822	2.9
203.14372	2.5
207.13826	9.9
209.13290	2.9
213.12698	2.9
217.15825	2.7
223.13295	6.6
227.17996	5.9
231.13792	2.4
233.15251	2.1
237.16324	6.3
245.19041	5.5
249.14928	14.1
255.17371	11.6
273.18500	63.7
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	10.3
55.01881	19.7
55.05516	32.3
56.96551	3.1
57.03423	6.7
57.07062	2.7
59.82991	2.2
65.03933	4.2
67.05167	3.7
67.05508	64.3
69.03429	4.9
69.07074	26.6
69.67184	3.3
69.67583	13.3
71.04978	9.7
79.05054	3.3
79.05497	52.1
81.03419	22.5
81.07061	62.6
81.79731	1.9
83.04984	13.2
83.08642	13.6
85.06523	3.5
91.05486	46.3
93.07050	51.5
95.04974	22.5
95.08611	87.6
97.06525	7.1
97.10182	4.1
99.08127	2.4
103.05457	2.7
103.39178	2.0
105.07040	36.0
107.04961	52.3
107.08596	26.6
109.06523	16.5
109.10156	15.1
111.08081	8.1
117.07030	18.7
119.04940	4.1
119.08585	30.1
121.05910	1.8
121.06525	20.2
121.10163	15.3
123.04458	3.0
123.08083	30.5
125.09667	4.3
128.06215	3.8
129.06996	10.0
129.55780	2.3
131.08594	20.7
133.06520	14.0
133.07373	3.1
133.10143	24.5
135.08064	29.9
135.11691	8.2
137.05963	2.6
137.09656	12.0
139.07509	4.9
139.11211	3.4
143.08560	10.7
145.06520	4.2
145.10100	16.5
147.08049	15.7
147.11682	10.6
149.09624	32.4
150.10197	2.1
151.11230	4.5
155.08557	2.7
157.10112	11.5
159.11684	7.5
161.09641	19.7
161.13242	3.8
163.11215	5.0
165.09140	5.5
169.10132	3.1
171.11711	7.3
175.11134	12.4
177.09157	3.7
185.09637	3.1
185.13271	2.5
187.11174	3.5
189.12743	8.6
203.10481	2.4
213.12732	2.9
213.16370	2.7
217.12332	3.5
227.17958	9.0
231.13608	2.7
235.13242	2.4
238.14111	2.4
245.19023	7.5
249.14990	2.9
249.18454	3.0
255.17410	8.4
263.20102	3.9
273.18491	61.6
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.10387	0.6
51.71857	0.7
53.03937	1.9
54.24106	0.5
55.01876	3.1
55.05514	13.2
57.03438	1.3
59.04989	1.0
65.51643	0.6
67.05504	9.9
69.03425	1.2
69.07069	6.6
69.61980	2.1
69.62397	1.9
71.04978	1.6
73.99467	0.6
79.05499	12.2
81.03432	4.0
81.07061	10.5
81.10684	0.7
81.40823	0.6
83.04968	2.0
83.08624	5.7
83.31648	0.5
91.05479	10.0
93.07049	10.7
95.04970	5.1
95.08617	6.0
97.06528	2.0
97.10168	4.3
105.07035	9.6
107.04961	19.6
107.08606	6.5
109.02920	1.0
109.06517	1.2
109.10153	2.5
111.08066	1.3
115.05448	0.8
117.07014	4.2
119.04948	2.1
119.08579	9.5
120.58296	0.6
121.06502	4.0
121.10129	2.7
123.08065	2.5
125.09629	3.1
129.06989	2.5
131.08572	5.8
133.06468	3.6
133.10147	3.6
134.07265	0.9
135.08025	2.7
135.11678	1.0
137.09583	1.4
139.11174	0.9
143.08554	2.2
145.10132	4.4
147.08066	7.2
147.11668	0.9
149.09624	8.9
157.10155	1.8
159.08083	0.7
159.11705	1.4
161.09624	1.7
161.13206	0.8
162.10420	0.8
163.11148	1.9
165.09102	1.3
171.11635	1.3
175.11195	1.9
187.11148	1.0
189.11224	0.9
189.12747	0.8
195.11621	0.7
221.11794	0.7
223.13318	2.0
237.16496	0.9
245.19099	1.5
249.15042	3.0
255.17413	0.9
273.18500	10.9
291.19547	100.0
292.19958	1.1
303.43506	0.6
306.51819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	4.0
55.01619	1.2
55.01874	20.8
55.05515	16.2
56.96543	1.4
57.03430	4.3
57.07069	2.4
65.03941	1.8
67.05162	1.7
67.05506	30.7
69.03426	3.4
69.07072	29.1
69.83660	2.9
70.06586	2.0
71.05001	7.3
71.08640	0.9
77.03923	1.3
79.05499	26.2
81.03426	18.9
81.07062	22.8
83.04983	16.9
83.08611	3.7
85.02895	1.7
85.06544	2.6
88.07629	2.5
91.05486	23.5
93.07046	32.2
95.04971	16.7
95.08607	29.7
97.06539	18.3
97.10162	3.0
98.21479	1.1
98.97569	0.9
99.04455	6.7
105.04548	1.4
105.07038	19.2
107.04960	91.6
107.08598	16.2
109.06525	11.2
109.10167	10.1
111.04444	30.7
111.08070	4.3
113.06024	1.5
115.05490	0.9
115.55244	0.9
117.07024	9.7
119.04935	1.1
119.07768	1.5
119.08588	18.3
121.06506	12.0
121.10138	10.7
123.04435	1.6
123.08076	8.3
123.11699	1.7
125.09628	3.9
125.93086	0.9
129.07016	4.9
130.07829	1.2
131.08562	10.6
133.06499	6.7
133.10132	11.1
135.08070	13.1
135.11714	3.1
137.09628	8.9
139.11165	2.5
143.08588	7.2
145.06541	1.0
145.10126	9.9
147.08044	7.5
147.11700	5.2
149.09627	45.1
149.13266	1.9
151.07538	2.4
151.11182	2.5
153.09102	8.1
155.08507	1.7
157.10167	4.8
159.08107	1.5
159.11714	6.0
161.09615	10.1
161.13254	1.8
162.10437	1.3
163.11176	8.1
165.09201	1.0
167.10716	1.2
171.11700	3.7
173.11800	1.0
173.13249	1.1
175.11192	9.2
175.14951	1.0
177.12726	3.2
179.10683	3.8
185.09572	2.5
185.13277	1.5
187.11180	1.3
189.12746	3.3
193.10657	0.9
193.12221	5.6
195.13771	1.2
199.11230	1.9
199.14839	1.1
203.10732	1.5
203.18130	0.9
207.13708	1.0
217.12193	2.4
217.15753	1.8
221.11737	4.0
223.13364	1.1
227.17949	1.5
229.23592	6.3
235.13229	5.7
245.19028	3.9
249.14957	1.5
255.17384	5.0
260.30316	1.0
263.20081	2.4
273.18506	19.5
291.19556	100.0
291.27036	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03951	1.5
55.01855	1.7
55.05515	7.7
56.05040	0.9
57.03432	1.4
57.07085	2.2
59.04996	1.2
67.05507	6.6
69.03420	1.5
69.07050	3.4
70.19333	1.2
70.19637	4.9
71.04982	2.4
72.31579	1.0
79.05494	12.2
81.03396	1.3
81.07053	11.6
83.04979	2.5
83.08624	9.0
85.02922	1.1
85.06520	2.9
88.59074	0.9
91.05488	6.9
93.07046	12.4
94.20134	1.0
95.04972	5.2
95.08604	16.0
97.06511	3.1
105.07037	11.3
107.04951	13.9
107.08596	9.6
109.06512	9.9
109.10133	3.6
111.08086	41.1
111.08858	2.1
113.09611	1.4
117.06981	2.3
119.08576	9.6
121.06475	3.5
121.10169	7.1
122.07318	1.4
123.08068	40.1
123.11617	1.2
125.09631	2.2
129.07036	1.1
131.08578	5.8
133.06468	3.7
133.10138	8.6
135.08038	6.5
135.11697	1.4
137.09631	1.8
143.08536	2.9
145.10120	5.0
147.08032	4.2
147.11729	5.2
149.09618	7.0
151.07545	100.0
155.10628	2.4
156.09332	1.6
157.10141	5.0
159.08061	1.7
159.11694	1.3
161.09572	3.3
163.11205	4.7
165.08963	1.1
171.11679	2.0
173.09552	1.7
173.13269	5.9
174.10406	1.4
175.11128	4.7
177.09183	2.2
179.10678	3.9
181.12215	1.9
189.12740	32.1
190.13652	1.4
191.10686	2.3
191.14325	10.8
192.11420	4.1
197.11728	16.8
197.13324	1.9
199.11188	1.2
201.65683	1.0
207.13812	62.8
211.13234	1.6
213.16360	1.8
215.14278	3.4
217.12306	1.8
217.15903	1.6
231.17464	1.8
233.15370	32.6
234.15503	1.0
235.13309	1.5
249.18607	1.7
255.17473	1.4
273.18491	7.2
291.19528	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	10.4
55.01883	16.7
55.05259	3.5
55.05514	64.2
56.96552	4.3
57.03425	10.6
57.07053	3.8
59.33649	2.8
65.03931	3.4
67.05174	2.8
67.05508	48.5
69.03431	8.5
69.07073	19.1
71.05013	5.2
71.11034	7.4
79.05048	5.7
79.05493	83.7
81.03425	5.6
81.07060	77.9
83.04973	10.6
83.08622	21.6
85.06570	3.2
91.05488	83.1
93.07059	42.2
95.04986	21.2
95.08615	22.1
97.06528	5.2
97.10170	23.0
103.05470	7.6
105.03428	5.2
105.07034	37.5
107.04961	29.0
107.08598	34.3
109.06535	13.0
109.10146	11.2
115.05471	3.9
116.06270	2.6
117.07027	43.2
119.04939	5.5
119.08587	83.8
121.06513	20.6
121.10136	12.8
123.08084	10.0
125.09628	24.4
128.06255	5.4
129.06992	20.5
130.07819	4.6
131.04919	3.4
131.08569	38.3
132.05725	6.6
133.06474	10.2
133.10115	10.6
135.08076	26.9
135.11732	7.7
137.09648	6.5
142.07774	3.2
143.08597	14.7
145.10120	36.0
147.04346	2.7
147.08054	55.9
147.11818	4.0
149.09604	12.0
151.07562	6.8
157.10121	12.6
159.08047	8.4
159.11699	14.1
159.55963	2.5
161.09659	13.6
163.11183	6.5
165.09146	3.4
167.29637	2.9
169.10132	3.6
171.11699	5.9
173.09647	3.7
173.13208	2.7
175.11258	5.1
177.09061	3.4
177.12653	3.3
185.09657	4.1
185.13239	5.8
189.11215	15.0
189.12753	5.8
194.20090	3.2
195.11697	4.1
203.14369	4.4
207.13855	3.0
213.12897	3.4
213.16281	3.0
217.15898	3.9
227.17989	7.3
237.16476	3.3
245.19193	5.8
249.14813	13.5
255.17450	10.8
273.18491	100.0
291.19574	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	2.7
53.63070	1.1
55.01874	13.1
55.05515	18.9
56.96542	1.9
57.03183	1.7
57.03438	20.9
59.04993	1.2
65.03936	3.1
67.05168	2.0
67.05503	32.8
69.03412	3.9
69.07068	10.4
70.01739	2.4
70.02153	3.4
70.16911	1.1
71.04982	1.9
79.05493	42.5
81.03429	2.5
81.06567	1.8
81.07056	35.4
83.04959	3.9
83.08621	6.9
85.06544	7.1
89.43333	1.0
91.05482	36.1
93.07042	28.9
95.04978	22.1
95.08052	1.1
95.08612	16.3
97.06517	5.5
97.10159	5.5
98.97561	1.3
99.08085	2.1
103.05422	1.3
104.99290	1.2
105.03397	1.4
105.06378	2.3
105.07027	30.5
107.04958	16.4
107.08601	23.2
109.06519	100.0
109.10131	5.9
111.04464	1.3
111.08067	5.9
113.06030	2.0
115.05416	3.7
116.06229	2.1
117.07023	19.2
119.04917	1.5
119.08583	24.5
121.06512	9.9
121.10122	9.3
123.08067	11.9
123.11707	1.7
125.09630	3.8
128.06218	3.3
129.07004	9.7
130.07758	2.1
131.07697	1.8
131.08574	22.5
133.06485	9.8
133.10118	10.4
135.08055	47.8
135.09096	2.3
135.11674	4.5
137.09601	3.6
141.07007	1.7
142.07791	1.5
143.08565	11.7
144.09395	1.2
145.06476	1.9
145.10132	17.1
147.08026	13.3
147.11659	4.9
148.08783	1.4
149.09618	15.8
149.13216	1.5
151.07544	9.8
151.11140	1.5
153.09074	2.3
155.08498	2.0
157.10130	9.3
159.08034	3.7
159.11694	10.1
161.06021	1.7
161.09616	13.7
161.13260	2.3
163.11156	8.0
165.09087	2.2
167.08568	1.4
169.10114	2.2
171.11668	6.2
173.09692	2.0
173.13260	3.1
175.11211	6.3
177.12778	1.5
179.10583	1.3
183.11617	2.7
185.13271	2.9
187.11063	1.7
189.05531	2.1
189.11188	1.9
189.12737	5.0
189.16318	1.8
195.11740	3.0
195.13733	1.2
197.11719	1.5
199.11137	2.2
199.14873	5.6
201.12701	2.8
207.13815	7.2
217.15862	20.9
219.13889	1.4
221.33206	1.4
227.17967	3.4
231.13838	1.9
235.16899	1.7
237.16371	3.9
245.19038	3.3
249.14771	3.1
255.17384	8.2
259.13394	1.4
273.18494	37.2
291.16077	4.7
291.19534	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
53.35623	1.0
55.01852	1.8
55.05515	18.3
57.07068	3.2
59.89913	1.2
65.03931	2.2
66.33525	1.0
67.05165	2.2
67.05508	36.9
69.06782	1.2
69.07073	15.0
70.84035	2.8
77.03916	1.4
79.05495	69.8
81.03373	1.8
81.07058	52.0
83.04986	2.2
83.08629	8.4
85.06544	3.1
87.08129	1.1
91.05483	25.4
93.07047	100.0
95.04954	5.9
95.08611	35.2
97.06508	2.5
97.10149	5.2
99.08073	2.0
105.06378	1.5
105.07027	19.1
107.04984	2.9
107.08598	58.4
109.06496	3.3
109.10149	15.0
110.99026	1.1
111.08070	2.3
117.07011	2.8
119.08572	14.6
121.06459	1.4
121.10146	49.1
123.08120	1.6
123.11683	3.2
129.04497	1.3
129.06992	3.0
131.08575	5.6
133.10123	14.7
135.08060	1.9
135.11694	57.3
137.09608	1.3
137.13261	1.2
137.33195	1.1
138.39343	1.1
138.82239	1.0
143.08556	1.3
143.78334	1.1
144.21146	1.4
145.10101	5.5
146.51242	1.0
147.08066	2.1
147.11719	10.4
149.09677	5.3
149.13258	35.8
151.11169	1.6
157.10126	2.2
159.11693	3.9
161.09523	1.6
161.13272	6.9
163.11180	3.4
163.14819	11.4
165.12708	1.4
171.11681	2.7
173.13268	2.2
175.11226	1.3
175.14835	4.9
177.12720	3.0
185.13289	3.0
189.12709	1.3
193.12273	1.4
195.13722	1.3
199.14786	2.5
203.14372	1.5
209.15332	2.2
213.16388	3.3
217.15927	1.4
217.19495	2.8
223.11269	1.2
231.17322	1.6
231.21027	1.2
235.16945	2.3
241.19498	4.8
249.18466	4.9
259.20557	10.5
291.19687	5.7
291.23169	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	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03934	5.0
55.05519	18.4
61.96405	1.7
63.73190	1.5
67.05508	32.7
69.07069	15.7
69.59141	1.5
69.75832	1.9
69.91645	4.0
69.92057	3.7
79.05499	61.3
81.07059	43.9
82.09181	1.6
83.05002	2.0
83.08621	6.7
85.06519	3.9
91.05486	27.6
93.07051	100.0
95.04958	6.0
95.08613	30.2
97.10205	3.0
105.04500	2.6
105.07033	17.4
107.08603	53.5
109.06562	2.8
109.10172	15.4
117.07005	3.2
119.08590	12.3
121.10152	47.6
123.08084	2.4
123.11736	3.2
131.08557	5.5
133.10138	15.1
135.08043	2.0
135.11700	56.4
143.08517	2.2
145.10110	5.7
147.11690	9.8
149.09616	2.9
149.13260	35.3
154.02733	1.5
157.10091	2.5
159.11647	4.5
161.13242	10.8
163.11153	3.3
163.14790	9.2
171.11710	4.8
173.13272	2.7
175.11310	1.8
175.14771	3.8
177.12727	2.8
177.16389	2.6
185.13307	3.1
189.12814	2.3
199.14790	2.9
200.91930	1.7
203.14267	2.3
208.33571	1.7
213.16476	2.2
217.19495	2.8
221.15335	2.1
228.92007	1.6
235.16930	2.1
241.19536	6.3
254.93491	1.5
259.20602	8.6
291.19839	3.2
291.23178	58.9
303.03082	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03931	4.5
55.01861	3.6
55.05512	23.6
57.07066	4.1
67.05161	2.4
67.05505	41.6
68.63335	1.4
69.03416	2.8
69.07070	22.5
69.44132	3.4
69.44527	10.8
71.04999	3.3
71.08624	3.5
73.06563	2.0
77.03959	1.6
79.05495	60.9
81.03427	2.0
81.07059	62.2
81.94400	1.3
83.04987	2.0
83.08617	10.9
85.06538	5.3
91.04939	0.9
91.05479	31.8
93.07048	100.0
95.04983	7.6
95.08611	42.4
97.06525	4.7
97.10165	6.3
99.08089	1.9
102.22497	1.4
103.89079	1.4
105.04559	1.8
105.07037	23.6
107.04932	4.2
107.08602	59.9
109.06528	22.0
109.10154	15.9
111.08112	2.0
112.11642	1.5
117.07007	5.3
119.08582	23.1
121.06528	2.3
121.09293	3.1
121.10146	54.1
123.08060	4.4
123.11691	6.1
125.09643	4.0
127.03879	2.8
129.04459	1.9
129.06966	2.9
131.08569	7.1
133.10139	18.0
135.08066	3.2
135.11702	52.5
137.09618	2.1
137.13222	2.3
143.08528	4.6
145.10120	7.4
147.11673	11.4
149.09619	2.4
149.12164	2.9
149.13272	39.6
151.11203	2.2
157.10110	4.9
159.11707	6.6
161.09668	2.0
161.13263	11.9
163.11147	5.0
163.14813	12.2
165.12756	15.9
171.11714	4.2
173.13191	3.7
175.11166	1.8
175.14798	5.9
177.12787	3.4
177.16223	2.2
185.13287	5.0
189.12740	3.2
195.13870	1.7
199.14771	1.8
203.14149	2.0
209.15262	2.5
213.16405	1.7
217.19385	2.7
220.02710	1.4
221.15349	2.4
231.17378	2.8
235.16867	7.5
241.19482	4.6
249.18469	5.0
259.20520	9.6
273.18536	2.5
291.19623	13.5
291.23160	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1908
Annotation	eucatropine
Peak:m/z	Relative Intensity
55.05495	0.9
56.96556	0.3
67.05492	0.9
69.07051	0.3
70.06589	0.8
71.59943	0.4
72.08163	0.4
79.05499	0.7
81.03404	0.5
81.07039	1.0
82.07365	0.3
91.05482	2.4
92.05004	4.2
93.05786	0.7
93.07047	0.6
94.06576	0.7
95.08593	0.6
98.97562	0.4
105.07012	0.6
106.06528	1.1
109.10185	0.5
112.88874	0.3
117.03289	0.3
117.05742	1.2
118.06544	15.3
119.07326	1.5
119.08615	0.5
120.05354	0.3
120.08111	1.4
120.08830	0.3
129.07005	0.3
130.06529	1.0
131.07286	0.4
132.08109	1.9
134.09616	0.6
135.99933	0.3
144.08044	0.6
145.08850	0.4
146.09625	0.7
147.04395	1.0
160.11182	0.4
162.09142	13.1
163.09924	3.4
164.10744	0.4
175.03822	0.3
175.08705	1.1
176.04276	0.4
176.10715	0.5
176.14339	1.3
190.08495	0.8
202.15929	3.5
207.06485	0.4
208.06828	0.7
218.11667	0.6
230.15414	17.8
234.07536	0.5
246.14900	1.1
248.16388	1.3
262.10425	0.4
274.18146	0.5
277.08096	0.4
292.15500	9.6
292.19040	100.0
293.08206	0.4
293.19440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77236	4.1
53.91803	4.1
55.21358	4.7
65.57166	4.5
71.58535	6.1
74.09711	5.3
96.91195	4.6
97.59278	5.1
118.08662	18.3
119.01933	5.1
130.23303	4.1
132.02126	10.7
134.30916	4.3
143.01860	15.7
150.92538	5.0
153.93492	4.2
161.02985	18.2
173.02965	7.4
175.11816	7.0
176.01099	31.5
176.12808	6.2
194.04289	15.7
203.04076	7.0
217.39185	4.9
249.12292	9.3
293.06329	100.0
293.11218	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	293.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.7
55.01862	6.6
55.05503	5.5
56.05030	5.3
56.96575	30.1
57.03444	71.6
59.04992	4.1
61.02930	24.6
62.15226	2.4
67.01849	3.6
67.05507	13.8
69.03435	21.5
69.07069	6.1
69.12563	2.8
70.06587	11.2
70.28799	3.3
71.01363	21.4
71.58983	4.7
72.08144	3.0
73.02925	33.3
75.04476	4.5
76.02219	5.1
76.82320	2.4
77.42946	2.4
79.05497	6.8
81.03410	5.7
81.07055	11.2
83.01332	5.1
83.04995	8.6
84.04511	6.3
84.08143	12.2
84.96045	7.2
85.02913	82.6
85.06545	8.9
89.03924	11.9
91.05461	8.0
93.07042	4.4
95.01344	13.4
95.05016	6.2
97.02895	33.7
97.06546	19.2
98.06078	4.1
98.97585	36.6
99.00829	12.5
99.04476	19.4
101.00874	4.8
101.02393	5.6
103.03935	9.7
105.07023	4.0
107.04931	6.4
107.08584	4.2
109.02869	4.9
109.10152	6.3
110.07160	4.0
110.97597	6.6
112.99166	2.9
113.02377	39.9
113.05977	7.3
115.03951	3.7
115.05425	3.4
116.98627	13.6
117.01944	2.6
117.03393	7.3
117.05504	100.0
119.01869	6.1
119.04960	5.4
120.08092	4.1
122.06049	3.3
123.04482	3.8
124.99096	3.5
125.06012	3.2
127.03953	3.3
128.98651	13.7
130.06601	3.7
130.08659	3.6
131.00189	4.2
131.03426	14.4
131.07057	4.4
132.04477	3.4
134.99664	5.6
135.04431	16.2
136.07550	3.6
141.01857	30.0
141.05603	2.7
141.67743	2.6
143.00157	14.7
145.02866	12.1
145.04962	10.0
146.06046	3.7
146.99651	5.0
147.04413	14.3
148.04732	3.4
149.01242	4.1
152.98627	3.1
155.01793	3.0
158.06000	3.6
158.99699	8.4
159.02907	12.1
159.06548	26.5
161.01221	12.5
161.03008	3.2
161.05984	4.2
161.07126	24.9
162.02185	3.2
163.02690	3.3
163.03909	53.9
164.04250	3.9
167.07025	2.6
170.99614	6.1
173.01343	2.7
173.02928	3.5
177.00702	5.4
177.05476	6.2
182.99751	3.2
189.00684	6.6
198.22868	2.6
201.00793	5.0
201.07751	3.1
203.02304	4.5
203.04024	3.0
204.04692	3.1
215.05510	6.3
219.01764	7.2
227.06744	2.7
237.02766	5.2
247.08311	4.4
247.10837	4.4
249.02933	5.1
251.04436	4.7
257.09241	4.1
267.03937	5.4
269.05566	4.4
275.10284	4.8
293.05411	8.6
293.08594	6.6
293.11746	4.8
293.14993	3.5
293.20673	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	293.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87128	0.2
55.01890	0.4
55.05525	0.5
56.96568	0.5
57.03449	0.3
57.07092	0.2
58.06609	0.5
65.03942	0.3
67.04263	0.6
67.05520	0.8
69.03436	0.6
69.07082	0.5
69.40483	2.1
70.06585	1.6
72.08155	2.7
79.05509	0.5
81.03445	0.4
81.07071	1.3
84.04530	0.5
84.08150	1.4
85.02914	0.9
86.06087	0.8
86.09711	18.3
88.02597	0.3
89.03945	0.4
90.46243	0.3
91.05506	1.6
93.07037	0.5
95.04951	0.4
95.08594	0.5
96.04508	0.5
96.08131	0.3
97.02913	0.5
97.06548	0.4
98.21113	1.2
98.97613	1.1
102.09193	0.6
103.05459	0.5
105.07003	1.2
107.04961	0.6
109.02913	0.5
109.06516	0.3
109.10156	0.3
110.06028	0.3
110.97591	0.5
115.05462	4.0
116.10719	0.4
116.98623	0.4
117.05799	1.7
117.07000	0.5
118.06534	0.3
119.04994	0.6
119.08648	0.4
119.54549	0.3
120.08104	0.5
121.06506	0.4
124.07614	0.3
128.10724	7.5
128.98689	0.4
130.06523	0.5
131.04919	0.8
131.08563	0.3
132.08095	6.3
133.06493	1.5
134.06027	0.8
134.11792	1.0
136.07558	0.4
138.05388	0.3
138.09161	0.3
142.06538	0.9
143.07353	0.4
143.95770	0.2
145.02814	0.3
145.05138	0.4
146.11772	3.4
147.04443	1.4
147.08008	0.3
148.07561	1.8
149.06050	0.4
158.99725	0.3
159.06804	0.8
160.07587	100.0
161.06001	0.5
161.07910	0.8
163.03976	0.6
173.06001	0.4
177.00711	0.4
177.05453	0.8
178.12346	0.3
181.04939	0.3
186.09145	0.4
187.07594	0.3
189.00615	0.4
189.05408	0.4
189.09100	0.4
197.06053	0.3
202.12346	0.4
205.06631	0.4
205.08455	0.3
207.06514	0.7
214.12256	1.0
216.12617	0.4
217.58978	0.3
219.01773	0.3
231.14949	12.7
232.15518	0.3
233.03587	0.4
233.08049	0.4
237.02879	0.3
247.14708	0.3
249.03798	0.3
250.06294	0.5
265.08438	0.4
275.09485	0.5
275.13797	1.5
275.17474	4.2
286.11081	0.3
293.10895	0.5
293.14877	2.0
293.18536	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	293.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01874	23.1
55.05514	37.4
56.02200	3.9
56.96583	12.9
57.03445	13.9
57.07079	6.7
58.03761	2.5
65.03960	3.3
67.05507	66.7
68.05831	8.8
69.03428	7.5
69.06709	3.7
69.07072	52.9
70.07384	2.5
70.10382	10.4
71.04985	7.3
71.08638	8.2
72.96025	2.3
79.05502	57.0
79.55119	2.1
80.05833	10.7
81.03430	22.5
81.06171	4.1
81.07062	70.7
82.07417	5.6
83.04993	10.0
83.08614	13.3
84.69839	2.4
84.96097	2.2
85.02927	4.5
85.06552	8.6
91.04945	4.5
91.05485	47.8
92.05804	7.9
93.07057	51.4
94.07382	3.9
95.04980	67.4
95.08616	51.4
96.05309	5.7
96.08964	4.9
97.02927	2.9
97.06531	14.6
97.10198	14.2
98.97583	11.4
99.04436	3.7
99.08096	7.5
103.05476	3.1
105.07035	39.6
106.07366	6.5
107.04948	23.1
107.08606	45.3
108.08942	7.6
109.06528	30.8
109.09384	4.3
109.10146	20.7
110.06856	16.6
110.97544	2.5
111.04478	3.3
111.07110	6.7
111.08097	6.4
111.11702	2.9
115.05480	3.5
116.98649	4.6
117.07043	15.6
118.07375	4.1
119.07780	4.6
119.08575	23.8
121.06467	11.8
121.10144	25.5
123.04447	2.7
123.08051	11.5
123.11756	6.5
125.05925	2.3
125.09653	9.3
129.07066	5.4
131.00200	4.5
131.08574	22.1
132.08934	3.5
133.06500	4.6
133.10124	22.7
133.39713	2.7
134.10492	2.8
134.73090	2.9
135.08058	31.4
135.11703	11.0
136.08388	26.2
136.12018	4.0
137.08673	14.7
137.09660	11.0
139.11221	5.4
141.07028	2.5
143.08586	6.9
145.10138	17.4
147.08064	3.9
147.11691	14.5
149.01292	4.7
149.09627	17.5
149.13269	5.9
150.10043	4.3
151.11208	41.9
155.08514	2.7
157.10150	8.8
159.11780	16.5
160.58916	2.6
161.09663	6.4
161.13284	6.0
162.09996	4.1
163.11333	5.5
165.09102	2.8
165.12834	6.0
169.10062	3.3
171.11702	4.6
173.09727	2.7
173.13283	6.5
175.11238	3.8
177.09212	2.9
177.12833	7.6
182.20300	2.4
183.11710	5.2
185.13321	4.7
189.11266	4.1
189.12912	3.1
191.14334	6.2
191.65240	2.5
205.15927	2.8
207.13869	3.0
209.07552	3.1
217.16039	3.6
218.16299	2.5
219.17671	3.5
223.13313	3.3
229.19629	2.9
237.14931	8.4
239.18120	3.2
247.08640	3.8
247.20569	6.5
251.58885	3.1
257.19098	11.0
265.22610	3.0
275.20081	76.4
293.21030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	5.7
55.01871	20.4
55.05260	1.8
55.05512	35.0
57.03431	3.4
59.04987	2.3
64.42255	1.5
65.92992	1.8
67.05507	38.8
69.03427	3.1
69.07069	74.2
70.83781	4.5
71.04979	5.4
73.12550	1.6
79.05493	58.8
81.03423	13.3
81.07060	42.4
83.04982	8.3
83.08613	12.7
85.06549	2.7
91.04958	2.4
91.05484	38.0
93.07047	49.2
95.04356	3.7
95.04971	78.2
95.08612	31.4
97.06535	21.5
97.10166	16.7
105.07031	42.6
106.66090	1.9
107.04955	19.5
107.08594	68.3
109.06503	10.9
109.10153	9.5
111.08119	2.4
116.06059	1.5
117.07028	10.7
119.08575	22.6
121.06504	8.1
121.10155	18.3
123.08097	8.7
123.11704	4.3
125.09645	12.1
129.07022	2.0
129.16409	1.4
131.08566	17.3
133.10150	24.3
135.08054	24.9
135.11691	6.9
137.09576	5.3
139.11151	6.6
141.06908	2.8
143.08612	1.8
145.06491	2.7
145.10109	15.7
145.13818	1.7
147.11670	14.8
148.05080	1.7
149.09624	19.1
149.13268	3.5
151.11150	8.6
153.12659	1.9
155.08588	3.9
157.10100	3.4
159.11671	13.8
161.09587	4.5
161.13310	3.8
163.11171	6.4
165.09065	4.5
167.10722	1.7
171.11688	4.1
173.13239	8.9
177.12799	9.6
183.11700	2.5
187.11232	3.1
189.11200	8.7
191.14310	3.5
197.13245	2.0
201.12708	4.4
203.12808	5.6
207.13783	5.1
219.13829	3.8
225.14853	4.9
229.19514	4.6
237.14861	28.4
239.18028	3.0
247.20631	3.6
257.19025	13.8
275.20071	100.0
280.98605	1.5
281.02573	1.7
293.21094	66.8
299.79285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.84900	2.0
53.03942	4.6
55.01868	16.0
55.05514	38.0
57.03428	3.0
57.07074	5.6
67.05508	39.9
67.19125	1.7
68.04700	1.8
69.03433	2.3
69.07074	20.2
70.10700	6.2
71.04992	3.3
76.97483	1.8
79.05493	47.4
81.03417	10.6
81.06626	3.7
81.07061	36.2
83.04978	6.5
83.08630	18.6
85.06531	2.3
85.62106	1.7
87.90701	1.8
91.05476	29.0
93.07041	30.8
95.04970	25.4
95.08608	27.1
97.06538	24.9
97.10179	23.9
98.21430	2.4
99.08086	2.0
105.07029	35.7
107.04963	12.1
107.07855	3.3
107.08595	68.5
109.06519	7.8
109.10161	12.4
111.04356	2.1
111.08038	5.0
117.07018	9.2
119.08582	21.5
119.37418	2.0
121.06492	4.3
121.10162	14.7
123.08037	6.7
123.11672	3.2
125.09643	18.7
129.12042	1.9
131.08591	14.9
133.06532	2.4
133.10127	21.8
135.08029	9.6
135.11694	7.1
137.09592	4.0
142.01582	1.9
145.10127	13.2
147.11688	12.5
149.09627	26.5
149.13217	3.6
149.17790	2.2
151.11153	9.6
159.11668	12.7
161.09618	2.6
161.13242	7.0
163.11176	10.4
165.09142	6.0
169.10149	3.4
171.10197	2.0
173.13316	5.3
175.11182	2.8
177.12735	4.5
181.04956	2.3
187.11237	2.6
189.11224	8.6
197.13167	2.4
209.11731	2.6
223.13237	6.9
229.19489	3.6
237.11099	4.6
238.65872	2.1
239.17932	6.3
247.20586	5.1
257.19006	14.7
275.20074	100.0
293.21112	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03933	9.1
55.01878	10.9
55.05260	3.4
55.05512	51.1
55.15600	1.9
56.96552	5.4
57.03425	4.3
57.07088	5.0
58.07380	2.1
59.04989	2.6
60.41915	2.0
65.03926	2.7
67.05509	61.4
69.03413	8.1
69.06721	2.1
69.07072	29.9
69.62302	14.5
71.04977	6.5
71.08611	7.3
78.89595	2.0
79.05049	4.0
79.05495	66.0
81.03418	17.7
81.07057	57.0
83.04971	9.1
83.08626	23.1
85.02890	5.5
85.06523	4.2
91.05486	52.3
93.07047	42.4
93.86015	2.0
95.04974	55.4
95.08035	3.8
95.08611	60.4
97.06528	10.7
97.10166	24.0
99.08089	6.4
101.54233	2.4
105.07030	41.4
107.04948	11.4
107.08598	81.1
109.06527	14.1
109.10165	30.8
111.04436	2.0
111.08103	6.7
112.93435	1.9
113.06026	2.5
117.07025	13.4
119.07776	3.1
119.08579	37.4
121.06518	6.4
121.10152	18.4
123.04398	3.3
123.08070	11.4
123.11683	6.9
125.09653	14.6
129.07014	4.2
131.08566	21.1
133.10136	30.3
135.08051	10.1
135.11690	10.7
137.05966	2.8
137.09622	24.2
139.11122	7.5
141.09111	3.4
145.10123	21.2
147.11697	17.1
149.09634	21.1
149.13235	4.5
151.11191	43.0
155.10661	18.2
159.11696	15.2
161.09604	3.3
161.13243	7.3
163.11249	10.6
165.09068	2.4
165.12733	5.0
169.10168	3.5
171.11636	3.1
173.11824	2.7
173.13257	5.0
173.59238	2.4
175.11230	2.9
177.12769	10.6
179.10699	2.8
181.12260	2.5
183.11772	2.5
189.11287	11.2
193.42174	2.5
197.13266	2.9
201.12772	2.8
203.12677	3.7
205.12256	2.9
207.13762	2.5
223.13422	11.8
223.15164	2.4
229.19495	7.7
237.11269	2.7
237.14702	2.8
239.17993	6.3
247.20566	8.5
251.20087	2.9
257.19016	18.0
261.27310	2.2
275.20084	100.0
275.23132	4.9
293.21100	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	7.9
55.01873	7.9
55.05521	23.7
57.03432	5.8
57.07068	2.9
64.55836	2.1
65.03943	2.2
67.05510	48.8
68.47746	1.8
69.03419	2.6
69.07074	21.6
71.05000	4.4
71.10355	2.3
71.10692	3.8
71.72929	1.9
79.05499	42.2
81.03427	7.7
81.07065	100.0
83.04987	7.4
83.08614	14.3
85.06532	4.8
91.05491	34.5
93.07061	30.4
95.04989	21.5
95.08622	28.1
97.06536	7.4
97.10167	2.3
99.08118	2.6
105.07034	38.4
106.78985	1.9
107.04966	8.3
107.08591	25.5
109.06533	28.1
109.10156	15.0
111.08092	6.4
117.07037	8.1
119.08596	35.4
121.06526	4.9
121.10171	16.6
123.08064	16.8
123.11723	9.1
125.09627	6.6
128.40999	2.3
129.07007	2.6
131.08546	11.4
133.06561	2.1
133.10144	22.8
135.08055	6.2
135.11711	7.9
137.09616	9.1
143.08603	2.5
145.10123	11.4
147.11708	17.4
149.09592	10.7
151.11205	8.0
155.08632	3.1
157.10176	4.0
159.11708	8.3
161.09729	2.4
161.13283	4.9
163.11172	10.7
165.12854	2.9
171.11662	2.6
173.13304	4.9
175.11182	4.4
175.14839	2.7
177.12888	2.3
183.11794	2.5
187.14883	3.2
229.19472	4.7
239.17979	5.2
247.20654	6.9
257.18985	6.8
268.28665	2.0
272.18365	2.1
275.20074	72.5
285.43582	2.1
293.17908	2.2
293.21115	38.5
298.57523	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.67944	1.5
51.80443	1.5
53.03946	4.4
55.01882	10.8
55.05513	91.7
57.03445	10.7
57.07068	1.8
59.04994	2.5
67.05503	33.4
69.03423	10.3
69.07069	14.1
70.19798	6.6
71.04988	1.8
77.43343	1.3
79.05495	29.8
81.07061	32.5
83.04967	6.7
83.08623	52.3
85.06528	3.8
91.05473	19.6
93.07039	19.5
95.04964	5.5
95.08603	11.9
97.06548	3.2
97.10172	100.0
105.07031	17.2
107.04961	2.6
107.08606	34.4
109.06523	4.9
109.10180	8.2
111.08120	4.1
112.16827	1.7
117.07007	6.8
119.08610	7.5
121.10150	11.8
123.08085	1.7
123.11698	1.7
125.09635	77.6
131.08580	13.7
133.10138	8.7
135.08072	8.3
135.11687	4.8
143.10698	3.9
145.10117	5.5
147.11658	5.1
149.09601	4.4
153.09117	6.9
153.12772	2.3
155.08507	2.1
157.10121	2.6
159.11717	3.4
163.11200	1.9
171.10201	12.2
171.11548	3.1
173.13261	2.1
181.12276	3.2
189.11221	61.5
201.16206	1.8
214.71255	1.6
219.17583	1.9
239.52521	1.5
257.18991	3.6
275.20068	32.8
293.21051	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	3.3
55.01866	4.3
55.05515	13.7
55.50522	1.2
57.03420	2.1
57.07067	2.9
62.25763	1.4
67.05165	1.9
67.05507	28.3
69.03430	1.5
69.07070	24.3
69.95624	1.2
71.05016	2.1
79.05489	20.4
81.03411	3.2
81.07059	31.3
83.04984	7.2
83.08605	5.3
91.05478	17.8
91.06003	1.7
93.07050	24.0
95.04963	10.1
95.08607	21.1
97.06521	2.7
97.10162	4.4
98.99325	1.3
105.07029	24.4
107.04941	6.7
107.08589	13.5
109.06519	10.5
109.10143	8.0
111.08066	1.4
117.07009	4.9
119.08575	14.4
121.06517	8.7
121.10132	9.6
123.08075	4.8
123.11699	3.6
125.09608	1.4
129.06998	2.6
131.08583	11.9
133.06506	3.1
133.10124	16.8
135.08049	5.7
135.11716	5.3
137.09641	3.5
143.08557	2.9
145.06487	1.6
145.10168	11.0
147.08020	1.4
147.11700	9.0
147.77821	1.2
149.09648	3.9
151.11183	7.7
155.08592	1.7
157.10115	2.7
159.08063	2.3
159.11711	7.5
159.23877	1.2
161.09647	2.7
161.13219	1.8
163.11188	5.6
165.23810	1.2
171.11716	1.4
173.09637	1.9
173.13258	4.2
175.11203	2.3
177.12700	1.7
183.11693	2.6
187.11191	1.7
191.14293	2.7
201.12784	1.8
207.13873	2.8
215.18011	1.8
219.13811	6.3
229.19460	2.9
229.79834	1.3
237.14928	1.5
239.17986	2.9
247.20631	3.2
257.19028	12.4
275.20068	100.0
293.21112	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.52425	2.0
53.03938	7.8
55.01878	38.5
55.05514	71.6
57.03429	6.1
57.07069	4.8
67.05509	56.3
69.03419	5.6
69.07076	19.2
69.70983	2.2
70.46883	2.1
70.71188	5.8
71.04989	4.9
71.08626	4.1
79.05500	92.1
81.03423	9.3
81.07063	50.1
83.04978	17.5
83.08628	25.1
85.06535	4.4
91.05490	38.1
93.07051	51.2
93.53528	1.9
95.04973	21.7
95.08621	23.4
97.06540	5.8
97.10168	27.6
103.05427	2.2
105.07035	39.7
107.04264	4.1
107.04963	51.2
107.08600	67.7
109.06503	8.9
109.10162	18.1
111.04405	5.1
111.08067	5.0
117.07031	14.4
119.08588	23.8
121.06476	6.2
121.10168	23.7
123.08072	6.7
123.11696	8.6
125.09644	65.6
129.07004	2.9
131.08578	15.6
133.10136	23.9
135.08076	17.3
135.11676	6.2
137.09627	6.1
143.08575	3.6
145.10167	10.3
147.11700	16.9
149.09630	86.2
151.11185	15.7
153.09111	7.5
159.11702	14.4
161.09572	4.7
161.13286	8.8
163.11172	7.3
163.14813	3.4
167.10638	2.4
169.12251	2.8
171.10204	3.2
171.11633	3.5
171.59995	2.3
173.11768	3.1
173.13246	4.9
177.12714	7.0
181.12167	2.8
183.11768	2.4
187.11176	4.1
187.13338	2.3
189.11240	22.0
191.14355	3.9
208.32468	2.0
209.11765	4.9
211.14714	2.0
215.18007	3.7
219.13731	2.9
229.19510	11.8
230.60750	2.1
233.15227	3.9
239.17896	4.1
247.20686	5.2
257.18979	24.1
275.20084	100.0
293.21133	29.7
308.29001	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	8.6
53.95634	2.8
55.01876	74.7
55.05515	69.7
57.03441	5.7
57.07079	10.2
57.37187	3.3
65.03949	4.2
67.05510	56.8
69.03416	5.8
69.06772	3.0
69.07076	36.7
69.31959	15.3
69.32381	13.8
71.04984	5.8
71.08627	8.0
73.06563	2.8
73.90768	3.5
79.05493	53.8
81.03417	26.9
81.06574	3.9
81.07055	72.4
83.04980	14.3
83.08627	21.7
85.06544	8.8
86.33555	2.9
89.80346	2.9
91.05497	38.6
93.07049	47.0
95.04972	65.6
95.08611	44.1
97.02895	5.7
97.06530	9.4
97.10184	18.5
98.97630	3.2
99.08092	7.4
105.07046	20.9
107.04949	44.0
107.08588	25.7
109.06506	20.6
109.10160	14.6
111.04434	11.9
111.08088	6.8
114.47876	3.3
117.07035	10.6
118.17838	3.0
119.08574	19.2
121.06524	12.4
121.10160	21.7
123.08083	21.0
123.11726	4.8
125.06005	3.7
125.09638	100.0
131.08588	14.9
132.10016	3.3
133.06509	6.5
133.10139	17.8
135.08055	18.0
135.11714	14.0
137.09601	30.2
139.11160	4.3
143.08517	4.1
145.06525	4.6
145.10135	17.7
147.11722	12.0
149.09660	25.2
149.13278	4.2
150.74196	3.2
151.11209	34.1
159.11696	9.0
161.09619	8.7
161.13292	3.6
163.11194	22.2
165.09265	3.5
165.12798	5.9
167.10722	4.5
169.10187	3.5
173.09593	3.8
173.13252	4.3
177.12758	22.9
181.12257	8.4
187.03316	3.5
187.11200	7.3
191.10695	7.1
191.14328	9.4
193.12177	3.8
201.12758	3.9
209.11726	10.4
213.15860	3.8
223.13263	3.5
229.19461	4.8
237.11179	5.8
239.17860	5.9
245.98691	3.1
247.20532	11.7
257.19006	9.5
265.21646	4.3
275.20071	59.3
293.21091	91.1
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
53.03938	6.9
55.01865	8.8
55.05516	25.5
57.03418	4.3
57.07067	7.8
65.03933	2.6
67.05164	3.0
67.05508	54.3
69.03423	3.7
69.07075	33.1
69.23607	21.9
71.04989	6.3
79.05056	2.6
79.05497	51.2
81.03415	6.6
81.07060	100.0
83.04967	7.2
83.08607	11.7
85.06538	3.4
91.05485	32.8
93.07051	32.8
95.04980	18.6
95.08614	35.0
97.06515	6.8
97.10155	6.9
105.07043	34.9
107.04964	10.0
107.08592	26.3
109.06530	25.3
109.10162	24.1
111.08076	6.1
115.07546	4.0
117.07027	12.2
119.08584	40.5
121.06500	7.4
121.10133	12.0
123.08056	9.8
123.11716	7.5
125.09612	5.4
129.07025	2.7
131.08571	16.7
133.06454	3.8
133.10138	29.8
135.08040	7.8
135.11676	8.8
137.09615	12.8
143.08543	3.2
145.10127	13.6
147.08102	3.1
147.11691	16.5
149.09647	12.4
149.13260	2.9
151.11172	9.2
157.10117	4.7
159.11688	7.5
161.09689	4.6
161.13214	4.0
163.11153	7.1
163.14766	2.1
165.12709	3.3
169.10091	4.0
171.11649	3.0
173.13275	5.6
175.11317	3.9
177.12729	3.2
187.14937	2.4
197.07327	8.8
229.19492	4.3
237.14999	3.6
239.17848	4.2
247.20586	9.8
257.18982	6.5
275.20087	69.1
293.21112	59.2
294.10001	3.7
301.06277	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	293.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05301	0.8
55.05519	9.7
56.96565	0.8
57.03429	0.8
58.06592	2.2
67.05508	5.6
69.03424	1.9
69.07068	5.1
70.06586	1.2
70.29429	2.2
71.05000	2.0
79.05504	5.2
80.05031	1.8
81.03424	1.1
81.07061	10.1
82.93043	0.7
83.04974	2.4
83.08616	3.7
84.08138	1.1
85.06538	1.0
86.09695	1.6
91.05502	3.8
93.05775	1.5
93.07050	4.9
94.06564	2.7
95.04975	2.3
95.08615	8.2
96.08105	1.5
97.06533	1.9
97.10168	1.8
98.20821	1.0
98.97581	1.1
99.08092	1.3
102.23995	0.8
103.05465	1.0
105.07044	4.5
106.06550	3.0
107.07349	4.2
107.08598	6.1
108.08126	14.2
109.06533	1.4
109.10177	5.4
110.09710	1.0
111.08093	1.4
113.05988	0.8
117.07000	1.4
118.06545	1.6
119.04935	0.9
119.08589	3.0
120.08114	17.2
120.08923	1.6
121.02917	1.1
121.08894	12.3
121.10144	2.3
122.09677	100.0
123.08043	1.7
123.11698	2.3
125.06007	0.9
125.09620	1.8
131.04910	1.1
131.08601	2.1
132.08093	3.2
133.08864	2.0
133.10115	1.2
134.09668	19.9
135.08028	1.4
135.10426	1.2
135.11682	1.4
136.11160	0.9
137.05959	1.3
145.10129	1.3
146.09679	4.2
147.08076	1.6
147.10437	3.2
147.11624	1.2
148.11206	6.4
149.02353	9.3
149.09622	1.6
149.13269	1.1
151.11197	1.2
160.11226	1.7
161.11977	0.9
161.13269	0.8
162.12738	1.3
163.11111	1.0
169.10161	1.3
173.13269	1.0
188.14372	1.1
193.90224	0.8
203.07124	0.8
204.17485	9.1
214.15852	0.9
220.16953	2.0
221.08333	0.9
222.06757	0.9
232.16980	44.8
233.06006	1.2
238.18015	4.1
241.02191	0.8
248.16473	2.0
250.06308	1.1
250.18042	88.9
258.18439	2.5
275.20090	1.4
275.23636	0.8
276.19604	79.5
278.09949	0.7
293.08124	3.7
293.11032	1.2
293.13919	1.5
293.17340	3.2
293.22226	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.49697	1.2
53.03939	2.0
55.01875	2.0
55.05514	15.1
57.03436	1.2
57.07074	2.8
65.03945	2.8
67.05510	100.0
69.07072	13.9
70.21274	4.7
71.04988	1.5
71.08634	1.7
79.05495	23.0
81.03429	1.8
81.07061	98.3
83.04984	3.2
83.08629	8.9
83.18107	0.8
83.97816	0.9
85.06541	3.2
91.05486	11.7
92.16082	0.9
93.07056	21.3
95.04977	6.2
95.08614	78.1
97.06544	4.5
97.10182	4.7
99.08088	3.3
105.07040	7.8
107.04900	2.2
107.08599	16.6
109.06527	2.3
109.10172	31.2
111.08109	2.4
117.07016	3.6
119.08589	9.5
121.06545	1.3
121.10146	12.7
123.08087	2.4
123.11703	17.8
125.09644	2.6
131.08588	9.8
133.10155	8.4
135.08041	2.1
135.11714	9.3
137.09651	3.2
137.13264	9.2
139.11258	1.2
142.17038	1.0
145.10121	7.3
147.11702	4.3
149.09630	6.2
149.13261	3.8
151.11221	5.1
151.14868	3.2
159.11691	5.1
161.13266	2.9
163.11255	4.8
163.14836	2.4
165.12753	3.0
167.10667	1.0
173.13264	6.4
175.14783	1.2
177.12819	3.9
177.16397	1.4
179.14362	1.3
187.14879	3.5
191.14304	2.5
199.38579	1.3
201.16061	0.9
205.15887	1.0
233.22575	1.2
237.14844	1.0
239.17885	2.7
243.21133	4.3
257.19049	2.8
261.22168	5.1
275.20071	18.3
293.21173	6.9
293.24762	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.71935	0.9
53.03951	1.3
55.01884	1.0
55.05515	10.6
57.07069	3.1
60.51188	1.0
61.18120	0.9
65.03922	2.6
67.05509	84.8
69.03429	1.5
69.07074	11.5
69.63288	6.2
71.08606	1.1
79.05501	13.5
81.07062	100.0
83.04967	1.7
83.08626	8.0
85.06535	2.5
91.05477	6.6
93.07053	13.0
95.04981	4.7
95.08614	66.8
97.06503	2.4
97.10197	3.3
98.21526	1.7
99.08077	2.5
101.06029	1.0
105.07034	5.6
107.04957	2.1
107.08589	7.5
109.10162	38.8
111.08070	1.7
117.07019	2.5
119.08611	6.0
121.10158	7.3
123.08119	2.1
123.11711	26.4
123.12564	1.9
125.09618	1.1
131.08594	6.0
133.10141	4.3
135.08047	1.9
135.11690	4.0
137.09605	2.7
137.13255	8.9
145.10126	3.8
147.11670	2.8
149.09641	2.5
149.13286	2.3
151.11194	3.4
151.14876	1.9
159.11697	2.8
161.13287	2.8
163.11261	2.7
163.14806	2.0
165.12752	2.1
173.13278	3.9
177.12761	2.6
177.16362	1.8
179.14316	1.7
187.14832	3.9
191.10724	1.5
191.14276	1.8
195.13876	1.3
205.15904	1.4
209.11771	2.1
223.16985	1.8
237.11168	5.3
243.21136	3.5
261.22076	7.0
272.73346	1.0
275.20084	3.1
293.18118	1.6
293.21173	6.7
293.24750	20.1
296.14038	1.0
300.32541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03937	3.7
55.01852	4.0
55.05514	46.5
56.96567	11.5
57.03427	4.8
57.07079	22.4
59.04971	4.3
65.03944	3.4
67.05161	2.4
67.05504	37.2
69.03419	4.4
69.07069	100.0
70.98085	1.5
71.05003	7.2
71.08625	9.5
71.25774	3.7
71.95274	2.0
73.06550	8.6
79.05495	18.8
81.03411	3.5
81.07059	76.7
83.04965	4.8
83.08620	60.4
85.06538	6.6
85.10182	3.5
87.04462	2.2
91.05481	12.4
93.07047	34.6
95.04979	9.0
95.08609	81.8
97.06535	13.2
97.10173	27.4
97.54100	1.4
98.97582	31.3
98.98302	2.1
99.04440	2.5
99.08074	3.9
99.26770	1.5
103.05429	1.5
105.07038	11.9
107.04966	3.2
107.08595	42.1
108.08849	1.7
109.06517	5.3
109.10159	57.3
109.10909	3.1
111.08076	7.2
111.11700	11.4
113.09649	2.3
115.05421	2.1
116.98637	20.3
117.07027	3.5
119.08562	11.0
121.06528	2.7
121.10139	21.8
123.08038	4.4
123.11709	26.2
125.09650	7.1
125.13235	5.4
129.06949	3.4
131.04929	2.1
131.08585	4.1
133.10120	6.5
134.99663	12.4
135.08038	4.0
135.11691	18.3
137.05954	2.8
137.09592	2.6
137.13246	14.1
139.11191	2.9
141.12796	2.0
143.08432	1.8
145.10127	2.9
147.11658	3.9
149.02325	11.2
149.09578	2.7
149.13249	21.5
151.11179	6.3
151.14775	5.2
153.12761	4.0
159.11694	2.4
161.09619	1.4
161.13226	2.2
163.11180	2.3
163.14801	9.3
165.12798	1.7
165.16382	4.6
171.04414	1.6
171.11761	1.9
173.13306	1.9
174.73857	1.6
175.07480	1.9
175.14900	1.6
177.16347	5.3
179.14174	1.7
179.17841	1.8
181.15869	2.2
191.17946	4.9
201.12706	1.8
202.01567	2.1
205.19524	3.7
209.18958	2.8
229.65353	1.4
237.11186	2.0
237.22087	2.4
265.84845	1.7
275.13251	2.1
275.16443	3.3
275.20041	10.4
275.27463	8.3
293.03311	17.6
293.07938	8.2
293.11261	2.6
293.17340	7.5
293.21036	13.3
293.28351	78.6
309.91962	1.8
311.04343	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	294.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
56.05037	7.4
56.96561	5.6
57.03429	2.6
67.05505	2.2
69.07085	2.8
70.06595	19.0
71.00716	4.9
72.08149	2.5
79.05470	1.9
81.03421	1.9
81.07047	2.3
83.06110	63.4
84.04512	64.9
84.08159	12.6
85.02904	5.0
86.09728	4.4
87.09277	1.7
91.05484	1.9
93.07017	1.7
95.04980	3.8
96.08150	2.3
97.02904	3.8
98.20956	2.1
98.97588	6.4
101.07144	5.6
103.05459	4.2
103.71147	1.6
107.04922	2.0
109.02892	3.2
112.05096	6.4
114.06321	1.8
115.08690	4.0
116.07069	8.6
116.98621	2.5
117.03374	2.3
119.04938	2.9
120.08112	100.0
129.10220	4.2
131.04961	3.0
133.06487	2.4
135.04413	3.1
136.06189	6.5
141.10240	2.0
142.08662	4.2
143.00133	2.6
143.08153	2.5
145.02834	4.0
146.05910	2.0
146.99530	2.0
147.04414	3.5
153.01819	3.5
158.81047	1.8
159.06865	2.1
161.01241	2.3
163.03929	9.3
166.08658	37.8
168.06583	3.8
172.06296	4.5
173.07135	10.5
174.07939	1.9
175.08629	4.1
177.05501	5.3
186.09172	6.4
189.00594	2.3
189.09084	1.9
198.07878	3.2
200.09470	3.0
205.04933	13.1
230.12929	5.2
231.11298	25.2
232.09679	3.0
233.07419	2.1
259.11258	1.7
267.03912	2.4
276.13455	55.3
277.11801	26.2
294.09674	4.0
294.14206	1.9
298.05890	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	294.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01882	14.3
55.05513	26.5
56.02211	1.9
56.05847	6.9
56.96565	4.6
57.03433	2.1
57.07073	3.3
59.05005	2.7
67.05511	27.6
68.05844	9.3
68.97877	2.0
69.03452	2.6
69.07073	18.0
69.38644	6.2
69.39063	8.8
70.06609	1.8
70.07413	5.7
71.04999	3.5
79.05502	35.8
80.05838	17.2
81.03438	9.7
81.07063	23.5
82.03765	3.7
82.07396	9.6
82.07798	1.9
83.04978	6.4
83.08618	13.0
84.05322	2.5
84.08927	3.4
85.06557	2.5
91.05491	24.9
92.05816	12.8
93.07045	21.3
94.07408	10.0
95.04979	13.0
95.08620	21.3
96.05299	5.8
96.08952	10.3
97.06535	10.5
97.10183	14.7
98.06871	6.0
98.10515	8.2
100.08424	2.2
105.07054	24.3
106.07372	18.1
107.04961	10.4
107.08605	59.8
108.05298	4.3
108.08940	45.8
109.06530	4.1
109.10149	9.5
110.06866	1.7
110.09706	1.8
110.10478	4.6
111.08080	2.8
112.08465	2.0
113.79660	1.8
117.07018	6.8
118.07333	3.1
119.08577	13.0
120.08886	11.9
121.10159	7.7
122.10484	5.4
123.11713	2.8
123.77383	1.9
124.12022	2.7
125.09621	9.5
126.09944	11.0
131.08572	7.4
132.08904	7.8
133.10173	10.9
134.10480	11.6
135.08063	5.0
135.11690	4.5
136.08424	3.9
136.12036	5.1
137.09644	4.2
143.08524	2.7
145.10146	9.1
146.10446	8.8
147.11687	4.3
148.12041	8.3
149.09654	9.7
149.13307	2.4
150.09958	12.3
151.11206	7.8
152.11531	8.6
159.11732	6.6
160.12038	7.3
162.10101	1.9
162.13527	2.4
164.11531	6.1
165.09201	3.2
174.13666	3.5
178.13072	2.3
186.13565	2.7
188.11531	3.3
189.11221	6.7
190.11610	5.5
217.16695	1.8
230.19818	4.8
240.18294	4.7
248.20941	4.0
258.19370	14.4
271.12292	4.8
275.24921	2.0
276.20435	100.0
289.13156	3.0
294.21442	29.8
294.24530	3.6
295.22690	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0815
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
54.04834	0.4
55.01868	0.4
55.05501	0.5
56.96555	1.2
57.03423	1.4
63.01070	0.4
67.05496	1.1
69.03407	1.3
69.07044	0.7
70.90145	1.0
74.24841	0.4
79.05479	0.8
81.03397	1.6
81.07048	1.0
85.02885	0.9
91.05479	1.0
93.07020	1.3
95.04971	0.7
95.08605	0.7
97.02868	0.6
97.06513	1.5
98.97579	0.9
99.04439	0.5
105.03365	0.9
105.07034	0.6
107.08575	0.9
109.02861	0.5
109.10167	0.4
109.45035	0.4
115.66843	0.5
119.08598	0.7
121.10159	0.6
125.09734	0.4
137.05984	0.9
137.07059	0.4
143.00150	0.4
149.06056	0.5
151.03923	1.3
151.07574	0.4
153.01836	24.7
161.05930	0.6
163.03911	1.5
177.05397	0.7
192.04175	7.7
193.04990	2.1
203.07094	0.6
205.04974	94.6
206.05270	0.8
213.05417	0.5
217.04944	0.9
231.06499	4.1
249.07596	57.6
250.07945	0.7
259.44824	0.4
266.54596	0.4
277.07028	0.8
277.15146	0.4
295.08160	100.0
295.19705	1.9
296.08362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0815
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01873	1.2
55.05511	1.0
56.05013	0.7
56.09583	0.6
56.96561	3.2
57.03445	4.0
61.02902	0.7
62.43290	0.7
67.05497	1.5
69.03430	2.4
69.07075	1.4
69.63940	0.6
69.82941	4.0
70.06586	2.4
72.08154	0.9
73.02930	6.0
76.68602	0.7
78.55630	0.7
79.05492	0.9
81.03439	1.0
81.07042	1.4
84.04513	10.1
84.08153	1.2
85.02908	5.3
86.09715	23.5
89.03935	3.6
91.05494	2.1
93.07059	0.8
97.02882	2.5
98.97569	2.0
102.05537	1.6
103.03950	7.7
103.05469	2.3
107.04947	2.6
115.03882	1.5
115.05463	2.8
116.07095	1.0
116.98638	1.4
117.03384	2.9
119.04945	2.2
120.08122	19.2
121.02882	1.2
123.04433	2.2
124.99136	1.0
127.37842	0.7
129.06987	0.8
129.10271	0.6
130.06502	0.7
131.04965	3.3
132.95827	0.8
133.06487	0.9
135.03368	1.2
135.04420	23.4
136.07585	2.6
137.02350	1.3
137.05986	0.7
138.98337	0.6
139.03940	1.2
139.05438	0.8
141.06979	0.8
143.00148	2.7
143.04962	3.4
144.95850	0.8
145.02841	3.3
145.06422	1.0
146.06012	2.7
147.04413	9.7
149.05977	2.0
150.07765	2.6
151.03946	1.0
151.48050	0.7
157.06442	1.9
159.04483	0.9
161.01286	1.8
161.06032	5.9
163.03917	100.0
164.04494	0.8
165.05490	3.0
165.06912	0.7
166.08672	8.8
171.04424	1.7
173.05911	1.2
174.96896	0.9
175.03934	7.7
177.00754	1.0
177.05473	5.0
179.03456	2.4
182.08136	2.3
185.05945	2.0
186.09183	1.0
187.03888	2.5
189.05515	8.0
191.03436	2.2
193.04977	43.4
199.04063	0.8
201.05502	1.3
203.07048	1.8
205.05009	5.5
213.05455	3.8
216.79521	0.6
217.04935	5.8
221.05995	1.7
229.05005	0.9
230.74959	0.7
231.06499	5.3
231.11314	5.9
235.06090	2.4
239.04364	0.8
249.02850	2.7
249.05273	1.2
249.07631	1.4
259.05988	2.7
267.03928	1.8
277.07190	2.3
277.11798	4.6
295.08347	16.0
295.13248	1.3
295.16751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01877	1.5
55.05488	1.1
56.05023	1.6
56.96569	6.0
57.03444	13.0
61.02911	3.3
65.03939	1.2
67.05481	2.2
68.99780	2.5
69.03432	13.8
69.07064	3.3
69.24028	5.6
69.24453	4.7
70.06579	4.3
71.01348	3.2
72.08150	3.5
73.02918	24.2
79.05496	1.8
79.29719	1.3
81.03401	4.5
81.07050	1.6
83.24515	1.0
84.04507	21.6
84.08139	6.1
85.02407	1.7
85.02902	19.9
85.08478	1.2
86.09704	26.7
87.04461	3.1
88.04008	1.8
91.04953	1.8
91.05481	26.2
93.07045	2.9
95.04937	2.1
95.08590	2.4
97.02899	16.0
98.06059	1.1
98.97582	7.4
99.04487	1.2
102.05531	1.9
103.05453	4.2
103.12348	4.8
105.07005	1.8
107.04953	7.0
108.71678	1.2
109.02863	2.4
109.06518	1.4
110.97588	1.4
111.04436	1.6
111.18439	1.0
111.86187	1.1
115.03938	13.7
116.98634	3.4
117.07011	1.5
118.06544	1.7
119.04939	17.0
119.08573	1.2
120.08108	59.8
121.02855	5.2
121.06477	4.0
124.99017	1.2
125.05994	2.4
127.03912	4.5
129.10251	3.2
130.04987	3.4
131.04936	4.0
131.08578	1.5
132.10193	3.2
133.04944	4.6
133.06493	1.9
135.04375	2.9
136.07581	100.0
137.05927	1.1
139.04013	1.4
143.00150	2.2
145.01721	1.2
145.04950	3.7
147.04399	3.1
149.06010	2.1
150.07761	28.3
151.03902	4.3
153.01837	2.8
158.99559	2.5
161.01237	2.8
161.05939	1.7
161.07141	1.5
163.03905	7.3
165.06984	4.5
166.08644	22.8
167.06992	1.1
167.08916	1.1
175.03891	1.6
177.00720	2.4
177.05476	1.6
186.09190	4.8
189.05354	2.1
193.04941	6.2
193.06490	2.5
205.04976	9.1
211.07379	1.6
214.08678	1.2
221.03972	2.0
221.05998	25.8
221.07903	1.0
232.09737	2.3
235.05765	1.8
239.06946	2.2
249.03001	2.4
249.05460	16.1
249.07697	5.0
249.16054	1.9
250.06047	1.3
267.03754	1.7
267.06546	1.3
277.04825	6.2
277.11749	4.9
278.10083	2.9
278.13895	2.1
295.05667	27.0
295.12894	4.5
295.16562	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	295.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.1
56.96566	6.7
57.02433	2.1
57.03442	29.6
61.02930	5.6
62.87931	1.9
64.89082	1.9
69.03116	2.6
69.03440	27.8
69.07080	2.2
70.03921	7.5
70.04336	5.1
71.01350	4.7
71.04976	1.9
72.08167	4.8
73.02550	3.3
73.02927	52.0
81.03430	5.6
83.87173	2.1
84.04509	31.4
84.08144	9.1
85.02911	39.7
86.09721	15.1
87.04456	2.7
87.52520	1.9
88.03980	2.3
91.05481	12.8
93.07057	6.0
94.94205	2.2
95.04968	2.7
97.02903	31.5
98.97569	4.2
103.05446	10.2
107.04953	7.9
107.90691	2.3
109.02908	4.2
115.03943	32.9
119.04976	13.6
120.08116	100.0
121.02864	5.6
121.06488	2.8
123.06651	2.2
124.70058	2.3
127.03938	7.1
129.10254	2.5
130.05011	6.2
131.04924	6.0
132.59976	1.9
132.95827	2.2
133.04988	7.0
136.07596	61.9
145.04973	6.3
145.06456	2.1
147.04416	4.6
148.03963	3.3
150.06566	3.0
150.07764	51.2
151.03926	7.4
152.06982	2.4
153.01816	4.0
161.01227	2.4
163.03931	9.2
165.06987	3.3
166.08647	37.3
175.03757	2.4
186.09155	5.9
193.05054	2.6
205.04964	12.2
219.01831	2.5
221.05969	23.2
232.09778	4.0
249.02948	4.6
249.05490	14.9
249.07626	5.0
249.15793	2.8
267.03839	3.3
267.06696	2.5
277.04819	3.0
277.11609	2.7
278.10117	2.7
295.05612	27.8
295.08826	3.6
295.11121	2.9
295.13193	3.8
295.16537	8.7
295.20627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01868	0.4
55.05524	0.2
55.99678	0.2
56.96566	1.1
57.03426	0.8
57.04545	0.8
60.34299	0.2
61.02937	0.3
65.03928	0.4
67.05501	0.2
68.30598	0.2
68.44160	0.2
69.03433	1.2
69.07059	0.4
69.60878	0.9
69.61285	0.3
70.06591	0.7
71.04999	0.2
72.08146	0.6
73.02917	0.8
79.05487	0.3
81.03421	2.5
81.07076	0.3
84.04499	1.4
84.08143	0.4
84.96053	0.2
85.02915	1.3
86.09682	1.0
91.05490	1.9
93.07008	0.3
94.04050	2.9
95.04935	0.3
95.08604	0.3
96.05610	0.6
97.02881	1.1
97.06529	0.2
98.06080	0.2
98.97580	0.8
99.04400	0.2
103.05481	0.5
105.06985	0.4
106.04041	0.2
107.04958	0.7
107.08582	0.2
109.02856	1.0
110.97609	0.2
111.04424	0.3
112.05067	0.3
114.99038	0.2
115.03923	0.7
119.04910	1.3
120.04467	0.2
120.08112	3.8
121.02814	0.2
121.06447	0.3
123.06674	2.2
124.99122	0.5
125.06069	0.2
127.03893	0.6
129.10201	0.2
130.05043	0.2
131.04926	0.3
132.95787	0.3
133.05078	0.9
133.06482	0.2
135.04378	0.4
135.05360	0.3
136.07582	4.9
137.05983	0.2
143.00169	1.4
145.02827	0.3
145.04953	0.2
147.04436	0.3
148.03973	0.2
148.06197	0.5
150.07751	100.0
151.03911	4.0
151.05017	0.4
151.08141	0.5
153.01833	0.4
158.99669	0.3
161.01227	0.6
163.03899	0.8
165.06984	0.4
166.08607	1.2
169.04933	0.2
175.03966	0.2
177.00624	0.2
179.83792	0.2
181.04945	1.8
189.05434	0.3
193.06416	0.4
205.04951	2.2
207.06592	0.9
221.05949	2.5
231.01849	0.3
231.06465	0.2
249.02821	1.5
249.05460	1.0
249.07657	1.0
249.16074	0.2
267.03876	1.0
267.06329	0.3
277.04868	0.4
283.59711	0.2
295.05798	1.4
295.08206	2.6
295.11578	2.6
295.16513	0.6
296.18582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
53.03944	1.0
55.05511	0.8
56.05032	1.8
56.13204	0.4
56.96562	2.2
57.03438	2.2
57.04573	0.9
61.02923	1.1
65.03936	0.7
67.05469	0.7
69.03431	3.8
69.07066	0.9
70.06596	1.4
71.04997	0.6
71.59149	0.5
72.08157	0.8
73.02919	4.2
79.05492	1.3
81.03426	4.0
81.07041	1.4
84.04509	30.5
84.08144	1.8
84.71009	0.5
85.02908	5.6
86.09715	2.8
87.04453	1.0
91.05481	3.7
93.07043	2.1
94.04070	3.2
94.04565	0.5
95.04977	1.0
95.08617	1.3
97.02883	3.4
98.97569	2.6
99.04472	0.8
103.05470	7.2
105.03378	0.7
105.07057	0.5
107.04961	6.2
107.08607	0.7
109.02900	2.3
111.04432	0.8
115.03923	2.5
116.98634	1.1
117.07006	0.6
119.04941	2.4
120.08108	100.0
121.02844	1.0
121.06528	1.0
123.04465	0.6
123.06661	1.3
124.99093	0.7
126.06667	0.4
127.03916	0.8
130.05011	5.6
131.04921	4.4
133.05011	1.1
133.06534	0.6
134.99666	0.5
135.09216	0.7
136.07573	9.6
143.00171	2.0
145.04994	0.7
145.06390	0.5
147.04391	0.8
148.03938	1.2
149.06003	2.6
150.07756	82.2
151.03902	5.5
153.01826	1.7
157.06421	0.5
158.05983	0.5
158.09761	0.5
158.99648	1.3
161.01208	1.8
161.07115	2.0
163.03952	2.6
165.06914	1.1
166.08646	36.5
167.07150	0.5
174.07703	0.5
175.04041	0.7
175.07547	0.6
177.00716	1.0
177.05388	0.5
181.04993	1.1
186.09163	7.0
189.00690	0.5
189.05380	0.7
193.04971	0.5
193.06557	0.8
205.04974	5.5
205.79283	0.5
206.05014	0.5
206.07597	0.5
207.06483	0.8
219.01703	0.8
221.04010	0.7
221.06004	6.2
221.07983	0.9
232.09685	4.0
237.02866	0.6
249.02855	3.0
249.05434	3.6
249.07671	2.8
249.15999	0.4
250.14713	0.5
252.15604	0.4
267.03824	1.5
267.10217	0.6
272.04276	0.6
277.04822	0.9
277.11865	0.6
278.10257	4.7
278.13141	0.7
295.05957	6.1
295.08344	4.7
295.12671	4.5
295.16513	2.4
296.18542	1.2
310.74008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.85493	0.3
55.01871	0.5
55.05500	0.5
56.96567	1.9
57.03440	1.4
61.02934	0.6
64.89983	0.2
65.03921	0.6
67.05497	0.4
69.03428	3.1
69.07070	0.7
70.02949	0.3
70.06584	1.1
71.01360	0.4
71.05005	0.5
71.59025	0.3
72.08148	0.8
73.02915	2.5
74.02449	0.7
79.05483	0.8
81.03432	2.6
81.07059	0.7
83.04983	0.4
84.04520	0.8
84.08130	1.1
85.02909	4.3
86.09196	0.5
86.09708	7.0
87.04446	0.6
87.08134	0.3
88.04002	0.4
89.03907	0.6
91.05483	24.7
93.07035	1.2
94.06555	0.6
95.04966	0.6
95.08598	0.5
97.02885	2.8
98.97585	3.0
99.04459	0.6
103.05465	0.6
105.07023	0.9
106.13354	0.2
107.04958	1.9
107.08593	0.5
108.08137	0.4
109.02892	1.6
109.06524	0.7
110.07149	0.3
110.65595	0.2
115.03909	1.5
115.05447	0.4
116.98599	1.4
117.03313	0.4
117.07051	0.4
118.06549	0.9
119.04947	17.0
119.08567	0.4
120.08081	1.3
121.02842	0.3
121.06494	2.7
121.10162	0.4
123.04397	0.6
124.07593	0.3
124.99133	1.0
125.05994	0.4
127.03926	0.7
130.08649	0.7
131.04941	0.4
131.08566	0.7
132.10210	1.9
133.05009	0.3
133.10194	0.4
134.99666	0.3
135.04414	0.9
136.07581	100.0
137.06038	0.5
137.07985	0.4
143.00159	1.8
145.02803	0.7
145.04953	0.8
146.06024	0.7
147.04402	1.6
148.03926	0.3
150.07767	3.7
151.03925	3.2
151.05002	0.5
153.01852	0.7
158.99646	0.9
161.01218	1.5
161.05965	0.6
161.09633	0.4
163.03917	4.7
165.06975	0.8
166.08682	0.3
167.07016	0.5
175.03941	0.7
176.05861	0.3
177.00726	1.0
177.05470	0.4
181.04909	0.3
189.05412	0.3
189.09145	0.4
191.07025	0.3
193.04991	0.9
205.05011	2.4
205.08305	0.4
207.06532	1.0
208.04292	0.7
214.08615	0.5
217.04936	0.4
219.01794	0.9
221.06000	2.6
221.07964	0.4
231.06717	0.5
235.07663	0.5
235.55048	0.3
249.03105	2.4
249.05458	1.3
249.07631	1.7
249.16026	1.2
250.14304	0.3
260.08817	0.3
267.04031	1.8
267.06451	0.5
272.04333	0.5
277.04935	0.5
277.11844	0.4
277.15292	0.6
278.13806	1.5
295.05957	2.7
295.08835	2.8
295.12808	0.5
295.16507	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	295.1654
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
53.03947	0.3
55.01876	0.5
55.05514	0.3
56.96574	1.6
57.03442	3.8
60.47208	0.2
61.02934	1.3
65.03934	0.5
67.05498	0.2
69.03432	4.8
69.07064	0.6
70.06595	0.8
71.01353	0.9
71.04996	0.3
71.58916	0.2
72.08163	0.4
73.02921	8.2
74.02451	0.5
81.03432	1.0
81.07061	0.5
84.04498	0.2
84.08157	0.5
84.22773	0.2
85.02910	5.5
86.09710	4.7
87.04466	0.6
89.03915	0.4
89.14531	0.2
91.05486	24.3
93.07047	0.6
95.04980	0.4
96.04488	0.2
97.02898	5.0
97.06595	0.2
98.97570	1.2
99.04456	0.4
103.03975	0.3
105.07039	0.7
107.04955	1.2
107.08585	0.4
108.08138	0.2
109.02886	0.8
109.06539	0.6
110.06037	0.3
115.03944	4.2
116.98643	0.4
117.03399	0.3
118.06565	1.5
119.04952	16.7
119.08611	0.3
120.04490	0.3
120.08121	0.7
121.02911	0.4
121.06517	2.2
124.07603	0.2
124.99125	0.9
127.03894	1.5
128.07126	0.2
130.08650	0.8
132.10217	2.2
133.04964	1.2
133.06525	0.3
133.10133	0.3
135.04428	0.8
136.07585	100.0
137.06001	0.3
137.08032	0.2
143.00182	2.0
145.02863	0.3
145.04939	1.2
146.06033	0.2
147.04436	0.9
150.07759	0.4
151.03909	0.9
158.99634	0.4
161.01253	1.3
161.10759	2.4
163.03911	4.1
165.06989	0.4
175.03888	0.5
177.00784	0.3
189.00673	0.3
193.04912	0.3
205.04916	1.3
207.06516	0.9
221.05956	1.9
223.05859	0.2
231.01892	0.2
232.13242	0.3
236.12814	0.3
249.02846	2.3
249.05460	1.3
249.07652	0.7
249.15935	1.5
250.14436	0.8
251.63962	0.2
267.03915	1.7
272.04340	0.6
273.63000	0.2
277.04889	0.4
277.11798	0.4
277.15442	0.5
278.13858	1.3
295.06024	2.8
295.08585	0.9
295.16516	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	295.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01858	1.1
55.05521	2.5
56.96570	3.0
57.03415	1.9
57.07067	0.9
59.04998	0.8
61.02908	0.5
61.06841	0.4
62.48117	0.4
65.50944	0.4
67.05208	0.4
67.05505	3.9
69.03432	3.0
69.07067	3.2
70.06581	0.8
71.04977	1.5
71.61346	0.5
72.38979	0.4
73.02892	1.3
74.02435	0.6
79.05500	2.4
81.03430	2.3
81.07060	6.3
83.04973	1.0
83.08608	1.2
84.08133	0.5
85.02901	2.1
85.06513	0.9
91.05476	2.4
93.07030	2.1
95.04971	1.4
95.08606	5.3
97.02865	1.7
97.06535	3.2
97.10175	0.7
98.97565	1.9
105.07016	2.3
107.04940	1.8
107.08598	2.1
109.02856	1.2
109.06519	1.4
109.10157	3.0
111.04425	0.6
111.08089	1.1
115.03934	1.1
115.05450	0.7
116.98607	1.1
117.03404	0.5
117.07003	0.6
119.08584	1.5
120.08082	0.5
121.02932	0.5
121.03969	1.4
121.06438	0.8
121.10123	1.8
123.08074	0.6
123.11712	2.3
124.99113	1.2
125.09597	1.0
127.07516	0.7
129.06956	0.5
131.04918	0.6
131.08507	0.8
133.04942	0.6
133.06477	1.0
133.10124	1.2
135.08012	0.5
135.11667	1.1
137.05969	1.3
137.09578	1.2
137.13217	0.7
139.11162	0.6
143.00146	1.8
145.04909	0.7
145.10100	0.7
147.04317	0.6
147.11652	1.0
149.05998	0.8
151.03941	3.5
153.12712	0.6
157.10158	0.7
158.99602	0.6
161.01160	1.8
161.02339	0.6
161.13266	0.4
163.03893	1.4
165.12758	0.5
166.12314	0.5
170.06056	0.4
175.03989	0.4
177.05527	0.4
178.07800	0.8
179.08603	0.6
179.10712	0.6
185.01154	0.6
189.00685	0.5
189.07039	0.5
194.88339	0.5
205.04921	2.1
205.09901	0.7
207.08052	1.0
215.07027	0.8
217.06606	0.6
219.01695	0.6
220.05327	0.6
231.08058	0.8
234.07011	0.6
235.07480	1.6
249.02829	2.0
249.07417	1.2
259.09854	0.5
263.07010	0.8
265.17670	2.4
267.03809	1.5
277.08640	1.2
277.14478	0.6
277.21756	0.9
285.04916	0.6
295.09372	3.0
295.18796	100.0
296.19009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.23965	1.8
53.03944	7.2
53.13568	2.7
53.56971	1.9
55.01864	5.7
55.05515	28.8
56.95067	2.1
57.03442	22.2
57.07061	8.2
67.05162	3.2
67.05509	64.3
67.05865	3.9
69.03419	3.0
69.07079	27.7
69.56973	15.9
69.77735	2.4
71.04987	4.6
71.08635	13.6
79.05502	41.0
81.03427	17.0
81.07066	81.5
83.04974	11.7
83.08624	12.5
85.06554	5.2
85.10187	6.8
91.05486	26.7
93.07045	42.3
95.04964	20.6
95.08611	62.2
97.06544	6.5
97.10168	8.3
99.08083	8.9
105.07038	20.0
107.04979	2.6
107.08600	32.3
109.06547	7.5
109.10164	25.6
111.08102	6.4
113.09686	4.1
116.31935	2.1
117.07024	5.4
119.08573	19.4
121.10146	27.9
123.08064	7.4
123.11687	7.4
125.09635	4.1
127.07543	2.4
131.08578	8.2
133.10153	15.4
135.11707	15.2
137.09648	7.6
139.11162	7.1
143.08640	2.6
145.10121	7.4
147.11699	11.2
149.09601	4.9
149.13252	9.3
149.27158	1.9
151.11194	16.2
159.11722	6.4
161.13272	9.4
163.11220	5.8
163.14848	4.2
163.77150	2.0
165.12727	16.5
167.10670	2.4
177.12741	2.4
179.14331	3.0
187.14832	10.3
193.15869	2.6
205.15863	3.8
221.15462	3.3
221.19028	4.3
223.16890	4.1
241.19495	4.2
259.20587	8.5
276.98947	2.2
277.21658	86.5
295.22702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03947	8.2
55.01862	7.0
55.05515	39.4
55.52654	1.5
57.03445	3.6
57.07074	9.9
65.03915	3.0
67.05509	62.4
69.03413	3.0
69.07070	26.0
69.69820	10.1
71.04994	3.5
71.08636	24.3
76.00340	1.6
79.05050	2.4
79.05499	38.8
81.03423	29.5
81.07063	51.1
83.04984	14.8
83.08625	18.4
84.45087	1.7
85.06555	4.2
85.10194	14.3
91.05484	23.3
93.06461	2.4
93.07053	45.6
95.04969	22.8
95.08617	32.6
97.06548	8.7
97.10191	13.2
99.08089	18.6
105.07045	17.8
107.04950	7.0
107.08602	26.9
109.06503	5.0
109.10158	20.3
111.08070	3.2
113.09647	13.8
117.07026	5.0
117.39646	1.6
119.08598	12.6
121.06523	1.8
121.10147	10.8
123.08060	3.9
123.11726	3.1
125.09653	12.8
129.07039	2.4
131.08582	6.5
133.06479	7.4
133.10123	15.0
135.08067	3.1
135.11694	9.3
137.09618	2.4
140.72762	1.7
141.12794	1.9
143.08598	3.1
145.10121	4.7
147.11670	8.0
149.09587	5.5
149.13246	6.7
151.11200	25.3
153.12770	2.7
157.10138	2.7
159.11649	2.3
161.13292	10.9
163.11234	6.5
165.12770	28.6
167.10721	1.9
167.14369	1.8
171.11716	3.9
172.86917	1.9
173.13200	4.2
175.14809	4.7
177.12653	1.9
179.14301	10.4
181.12242	2.0
185.13272	2.2
189.11200	3.4
190.17728	1.8
207.13866	2.9
208.22231	1.7
217.19331	2.9
221.15439	2.3
231.21262	2.2
241.19537	6.9
249.22279	4.3
259.20590	6.9
277.21655	80.5
295.22699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	6.0
54.12234	2.3
55.01881	15.5
55.05512	56.4
56.96559	3.8
57.03432	6.7
57.07087	13.5
61.71600	2.0
64.11216	2.1
64.91718	2.2
65.03933	5.5
67.05506	100.0
69.03441	5.2
69.07073	42.6
71.04986	7.4
71.08636	14.5
71.10518	4.8
71.10882	2.8
73.06524	2.7
79.05498	49.5
81.03418	11.9
81.07058	77.4
83.04978	21.4
83.08621	28.3
85.06550	8.0
85.10169	6.1
91.05492	33.0
93.07041	63.0
95.04971	20.2
95.08609	58.0
97.06530	15.0
97.10171	24.2
98.02979	2.1
99.08110	12.4
105.07033	31.3
106.19706	2.8
107.04921	4.5
107.08600	37.0
109.06529	9.0
109.10156	34.6
111.08086	25.6
113.09661	3.1
117.07034	7.9
119.08582	21.8
121.10134	30.8
121.10916	3.4
123.08085	5.5
123.11721	9.4
125.09642	19.4
129.07030	7.3
131.08574	10.2
133.09273	3.3
133.10129	20.2
135.08121	2.9
135.11705	20.6
137.09644	10.1
137.13301	2.6
139.11201	16.1
142.08633	2.6
143.08565	4.0
145.10143	7.6
147.08087	3.0
147.11678	16.4
149.09677	5.5
149.13229	12.9
151.11197	12.6
153.12708	3.8
159.11720	5.3
161.13283	12.1
163.11166	4.5
163.14818	5.6
165.12791	10.2
167.10544	2.9
167.14395	3.7
171.11749	5.2
173.13275	2.9
175.11232	3.5
175.14813	7.6
177.12706	3.8
179.14323	7.3
185.13298	2.8
189.11217	6.6
189.12764	2.6
195.13892	3.2
207.13788	3.1
212.96254	2.3
221.15379	3.1
231.21205	5.4
235.16998	2.4
241.19528	5.8
249.22139	7.3
259.20587	12.2
277.21628	90.4
295.22708	77.5
296.22299	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	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01878	42.2
55.05517	40.9
56.96572	6.4
57.03437	8.1
57.07075	16.1
66.47629	3.9
67.05511	70.0
68.05840	4.5
69.03427	5.8
69.07082	29.4
70.20885	4.2
70.21203	11.7
71.04989	13.1
71.08649	21.8
79.05508	35.9
81.03446	18.0
81.07066	66.4
83.05013	18.7
83.08630	28.6
85.10193	9.0
91.05483	36.4
93.07054	46.1
95.04993	20.6
95.08604	45.5
97.06542	24.9
97.10170	8.3
98.21410	5.0
99.08103	21.5
105.07022	31.8
107.05001	7.7
107.08603	34.2
109.06495	7.2
109.10194	25.0
111.08096	50.9
113.09647	11.8
117.07027	5.8
119.08556	18.5
121.10128	22.9
123.08099	7.9
123.11680	8.7
125.09666	6.3
129.06990	5.6
131.08546	8.9
133.10124	25.2
135.11713	14.6
139.11194	4.5
145.10120	6.7
147.11697	11.5
149.09639	7.7
149.13269	13.8
151.11194	25.4
152.11569	12.0
153.11839	4.9
153.91798	4.2
159.11690	5.3
161.13239	8.5
163.11179	8.4
165.11571	4.4
165.12746	19.4
171.11676	7.5
173.13321	5.4
175.11073	5.3
175.14789	6.9
179.14331	10.0
197.07602	3.9
207.13802	4.2
223.79372	4.3
241.19431	5.9
249.22209	7.6
259.20624	7.8
274.76572	4.0
277.21698	94.5
295.22400	100.0
295.28333	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	9.3
55.01871	37.7
55.05513	62.5
57.03427	4.9
57.07065	6.8
65.03943	4.4
67.05507	100.0
69.03422	9.9
69.07065	54.2
70.00172	10.4
71.04990	8.1
71.08632	19.1
73.06584	3.1
79.05491	59.8
81.03416	31.0
81.07059	83.4
83.04984	21.7
83.08636	19.4
85.06571	4.7
91.05473	40.2
93.07044	72.0
95.04968	23.6
95.08607	92.5
97.06548	13.6
97.10175	18.0
98.20782	3.4
99.08081	14.1
100.67605	2.6
105.07006	19.7
107.08589	35.3
109.06534	8.6
109.10157	37.8
111.08064	4.1
111.11727	4.0
113.09676	3.4
117.07001	7.3
119.08577	29.1
120.74986	2.5
121.10152	27.4
123.08072	41.6
123.11708	6.8
125.09618	16.0
131.08578	7.2
133.10178	16.8
135.11670	21.7
137.09604	36.3
139.11192	24.0
145.10147	6.6
147.08078	2.9
147.11691	16.0
149.13271	11.4
151.11174	23.8
153.12714	6.6
157.10138	3.3
161.13298	8.2
163.11234	4.7
163.14864	3.4
165.12779	10.7
167.14345	3.7
171.10019	3.6
171.11702	3.8
173.13136	4.6
175.14867	6.4
177.12694	3.0
179.14345	5.1
181.12253	11.0
189.11255	5.4
221.15471	6.9
231.20992	5.5
241.19505	4.4
249.22104	23.4
259.20596	9.8
264.74313	3.2
277.21625	98.9
295.22714	97.8
312.00552	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01871	5.5
55.05510	21.8
55.20148	3.9
57.03438	5.8
57.07061	5.6
59.54815	4.6
62.61442	3.8
67.05512	44.0
69.07057	14.7
71.08639	35.9
79.05495	35.6
81.03403	10.3
81.07066	56.5
83.04970	5.5
83.08617	14.1
85.06598	5.2
91.05498	26.3
93.07047	56.8
95.04947	8.9
95.08636	30.3
97.06526	12.4
97.10153	5.9
99.08095	29.7
105.07042	19.8
107.04947	10.3
107.08615	33.5
109.10146	18.8
116.00329	4.9
119.08588	18.0
121.10163	31.3
133.10120	8.3
135.11710	38.0
149.13255	10.8
151.11171	15.9
161.13257	15.8
167.10681	4.2
179.14323	100.0
221.15219	5.4
235.17091	5.3
259.20441	6.8
277.21616	43.2
295.23022	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.29187	2.6
53.03949	28.8
55.01862	10.8
55.05511	36.8
57.07059	9.3
58.41518	2.2
62.99090	2.3
67.05170	4.1
67.05507	75.0
69.03432	3.1
69.07069	45.2
70.19005	9.7
71.04966	4.3
71.08625	4.7
71.94909	2.3
79.05492	49.6
81.03416	88.7
81.07056	62.0
83.04982	23.0
83.08627	14.9
91.05473	27.1
93.07045	56.7
95.04971	53.9
95.08609	29.1
97.06549	5.4
97.10165	6.8
97.12141	2.5
99.08096	6.9
105.07017	23.8
107.08590	28.1
109.06527	12.0
109.10156	19.8
111.08065	3.0
119.08572	16.8
121.06416	2.8
121.10161	17.8
123.11708	8.5
125.09624	10.6
129.07027	5.5
131.08589	4.9
133.10138	26.1
135.08032	7.7
135.11670	12.6
137.09575	2.8
137.13264	4.1
138.14073	2.6
141.94032	2.3
143.08615	3.4
147.07993	3.0
147.11694	12.7
149.13255	9.4
151.11192	56.9
153.09151	5.3
154.16754	2.2
161.13216	13.6
163.14777	7.8
165.12756	15.0
171.10110	3.0
171.11613	4.1
173.13332	2.9
175.14853	5.5
177.12805	3.4
179.14325	9.3
185.13326	4.8
189.12668	3.3
193.12195	4.9
207.13771	7.5
217.19363	3.8
221.15495	2.5
222.18375	2.8
231.20967	11.4
241.19514	8.4
249.22168	9.3
259.20563	8.6
277.21609	100.0
295.22748	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	295.227
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03949	9.4
55.01876	30.3
55.05518	60.5
57.03431	7.9
57.07070	6.2
59.98542	2.9
61.96260	3.1
62.47491	3.3
66.44485	2.9
67.05508	100.0
69.03437	8.6
69.07072	46.1
69.40356	2.9
69.83974	5.1
69.84388	12.3
71.04984	7.6
71.08642	19.5
72.63287	2.8
77.84396	2.8
78.68576	2.9
79.05499	57.2
81.03412	16.5
81.07061	87.5
83.04975	17.1
83.08629	26.2
85.06544	5.9
85.10196	4.1
86.54904	2.8
91.05489	35.7
93.07056	65.2
95.04984	22.0
95.08612	57.9
97.06540	17.0
97.10162	23.8
98.21479	4.8
99.08101	11.9
101.83938	3.3
105.07027	25.4
107.04974	6.2
107.08602	31.9
109.06520	6.2
109.10152	27.4
111.08115	22.6
113.09665	6.5
117.07039	7.3
119.08570	21.7
121.10134	23.9
123.08076	6.1
123.11711	7.7
125.09621	14.3
129.06964	4.4
131.08578	9.9
133.10106	22.9
135.08063	4.6
135.11719	18.4
137.09637	10.7
139.11194	11.6
145.10132	5.6
147.08105	3.6
147.11710	19.3
149.09596	4.4
149.13293	12.1
151.11182	20.6
157.10164	6.4
159.11668	3.2
161.13298	13.4
163.11174	9.2
163.14774	3.9
165.12813	9.6
166.26616	3.6
171.11642	4.8
173.11858	3.5
173.13226	5.0
175.11168	5.6
175.14803	6.2
177.12823	4.7
179.14345	13.2
189.11237	5.6
193.12274	6.1
199.14926	3.7
207.13884	4.2
221.15387	5.1
231.21082	6.5
241.19553	8.3
248.09978	3.8
249.22156	8.3
259.20731	14.8
277.21652	83.0
295.22687	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	296.1356
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
53.29690	0.2
55.01870	1.1
55.05503	0.3
56.96549	0.7
57.03441	1.7
57.22484	0.2
59.04977	0.2
61.02911	0.5
63.92968	0.2
64.77934	0.2
67.05503	0.3
69.03447	0.9
69.07066	0.2
69.36539	1.2
69.36947	0.3
70.06569	0.7
71.01353	0.3
71.06084	0.2
72.08122	0.2
73.02924	1.0
79.05488	0.4
81.03409	0.2
81.07043	0.4
82.27621	0.2
84.08131	0.2
85.02924	1.2
86.03204	0.1
86.06099	0.2
86.09734	0.3
87.04461	0.4
91.05488	0.3
93.07015	0.2
94.04045	0.2
95.04957	0.2
97.02872	0.6
98.21502	0.4
98.97588	2.6
105.03389	0.2
105.07011	0.3
107.08553	0.3
110.97579	0.3
115.03935	0.4
116.98608	0.6
119.08579	0.6
120.05349	0.2
120.08090	0.9
121.05120	0.5
121.10094	0.3
123.06672	0.4
124.07561	0.3
127.03900	0.3
132.04527	0.2
133.04997	0.3
133.10167	0.2
134.05952	0.2
134.99644	0.3
137.08026	0.3
138.09169	0.2
145.06473	0.2
149.06976	0.7
151.03876	0.3
158.99727	0.9
159.00847	0.2
159.06761	0.2
162.07784	0.5
164.09332	100.0
165.09636	0.5
166.12325	0.3
167.07001	0.2
168.61032	0.2
175.07571	0.4
177.00732	0.6
187.06213	0.2
187.56615	0.2
189.00545	0.2
191.06395	0.4
202.73061	0.2
206.08862	0.4
210.14900	0.4
213.05920	0.2
215.09433	0.7
217.04349	0.2
219.01762	0.3
234.07016	0.8
236.09698	0.2
252.16167	0.3
260.04977	0.2
278.05978	0.3
279.04669	0.2
296.06396	0.7
296.13605	18.7
296.18570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94139	1.0
55.05500	2.9
56.96566	2.4
57.07055	1.4
67.05510	4.8
69.07066	2.9
70.93882	1.6
70.94184	1.1
73.05129	0.8
79.05482	3.5
81.07068	5.5
83.08614	1.2
84.62685	0.9
91.05476	2.9
93.07026	3.5
95.04960	2.0
95.08626	4.6
98.97566	3.3
105.07027	2.2
107.08605	3.5
109.06519	1.5
109.10144	1.5
116.98620	2.2
119.08568	3.2
121.06530	1.2
121.10135	2.6
123.08059	1.1
129.06952	1.0
131.08514	1.2
133.10132	1.4
134.99721	1.1
135.11697	1.4
141.91728	1.0
143.08543	1.3
145.10117	1.7
147.11678	1.1
155.08652	1.1
157.10141	1.3
159.08112	1.1
159.11710	1.5
187.14648	1.2
208.40031	1.1
213.16362	1.0
233.33185	1.0
255.09123	1.5
274.97440	1.5
279.15933	1.5
297.11124	3.0
297.16721	100.0
297.22162	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	297.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08904	3.7
53.03955	8.8
55.01871	18.3
55.05510	17.0
56.96556	8.0
57.03452	22.2
57.07065	6.2
59.05014	5.0
61.02914	11.2
65.03932	5.2
65.81071	4.0
67.05511	34.7
69.03433	63.3
69.07074	18.7
69.77778	3.8
71.01349	8.5
71.04989	11.4
71.61024	7.5
72.08146	5.8
73.02923	14.0
79.05495	30.9
81.03418	32.0
81.07064	66.1
81.92213	4.0
83.04984	15.6
83.08622	6.8
85.02916	73.9
85.06538	8.7
87.04450	8.4
89.28899	4.1
91.05479	35.8
93.07050	98.9
95.04980	22.7
95.08614	37.1
97.02911	30.3
97.06540	12.5
97.10152	4.0
98.97595	14.3
99.04473	14.6
103.03944	9.2
105.07030	67.2
107.04967	13.2
107.08604	100.0
109.02871	9.8
109.06508	23.9
109.10161	33.7
111.04453	13.2
111.08050	7.4
115.03967	8.4
115.05457	4.9
117.07035	18.0
119.04985	6.2
119.08586	39.1
121.06512	17.1
121.10150	73.1
123.04425	12.8
123.08051	11.8
123.11710	12.6
125.05993	7.2
125.09614	4.3
127.03910	22.5
129.07024	8.7
131.08575	22.4
133.06483	9.7
133.10159	35.5
135.04462	7.2
135.08069	10.5
135.09071	4.5
135.11710	80.2
137.06052	7.8
137.07211	5.8
137.09628	7.9
137.13181	4.3
139.07567	6.4
143.08556	9.1
145.04974	11.1
145.10147	23.1
147.08058	8.1
147.11684	35.3
149.09647	6.1
149.13281	7.7
151.07530	6.5
151.11195	10.7
153.05403	5.2
153.12727	18.6
155.08566	6.5
157.10179	10.4
159.08069	8.1
159.11694	24.8
161.09631	10.6
161.13245	12.8
163.11214	14.7
165.07025	5.7
165.09123	3.9
165.12761	9.6
167.07028	5.1
171.11665	9.0
173.09633	8.6
173.13304	9.8
175.11189	13.7
177.12779	22.5
189.12788	9.1
194.07248	10.6
201.12769	9.4
203.10767	5.1
205.06502	8.9
206.60771	7.2
207.08110	4.3
215.14285	4.1
216.11819	5.6
219.13821	11.3
222.06776	9.6
231.13875	10.5
237.09148	20.4
243.13777	10.6
249.14828	6.3
261.14828	30.4
265.08627	23.8
279.12961	6.7
279.15866	34.1
279.20612	4.7
282.08847	6.9
296.63953	5.2
297.07669	12.1
297.11288	30.2
297.16855	50.5
297.21735	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.01877	10.6
55.05514	42.8
56.05837	3.7
56.96565	4.4
57.03433	5.5
57.07075	12.0
58.06623	2.2
59.05014	3.1
65.53009	2.7
65.68121	2.2
67.05508	80.4
68.05852	6.2
69.03426	4.8
69.07071	72.8
69.07449	4.2
69.39511	2.1
71.05001	13.3
71.08623	6.2
71.50710	4.5
73.06556	2.8
79.05492	47.7
81.07058	100.0
82.07399	6.8
83.04990	17.7
83.08621	16.2
85.06547	9.2
89.29971	2.3
91.05460	15.2
93.07042	66.3
93.07609	4.1
94.07391	4.7
95.04967	6.2
95.08609	82.6
95.09225	4.0
96.08931	3.7
97.06537	24.9
97.10176	14.9
98.10521	3.3
98.97582	13.3
99.08088	3.9
105.07024	15.1
107.04938	2.4
107.08602	26.3
109.06532	2.8
109.10147	35.3
110.10495	3.3
111.11716	7.2
111.19337	2.4
116.98637	10.0
117.07032	4.8
119.08593	10.4
121.10150	48.2
123.08051	3.5
123.11713	20.1
125.09595	5.8
131.08562	10.0
133.10133	12.9
134.99680	3.8
135.11703	15.9
136.11984	2.2
137.09651	4.1
137.13280	6.2
139.11177	24.4
144.86501	2.4
145.10127	6.5
147.11710	7.9
149.13260	8.9
151.11279	4.2
153.09070	2.6
157.10095	3.2
159.11723	7.7
161.13226	5.7
165.12749	3.0
169.12207	2.8
173.13245	4.9
175.14793	2.5
187.13449	4.3
187.14919	3.9
191.17957	3.0
195.13684	2.6
201.45105	2.3
203.12816	6.5
243.21173	5.5
244.13884	2.3
261.22162	33.6
264.05322	2.2
274.97562	7.3
277.28268	2.1
279.23206	88.3
280.23608	2.2
292.98584	5.6
297.18689	2.5
297.24307	18.5
297.29865	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03934	3.6
55.01880	10.6
55.05517	44.3
56.96571	3.7
57.03431	5.6
57.07069	7.2
67.05170	5.3
67.05509	79.6
68.05837	2.6
69.03431	3.3
69.06717	4.0
69.07074	72.0
70.02946	8.1
71.05004	10.4
71.08624	4.7
73.06553	3.6
79.05502	43.2
81.07064	100.0
81.16681	2.2
83.04979	18.5
83.08617	12.4
85.06537	9.3
91.05496	15.3
93.07053	71.1
94.07346	2.4
95.04962	3.0
95.08613	87.1
97.06538	23.7
97.10185	21.2
98.21393	2.7
98.97574	8.8
99.08107	4.7
105.07029	15.5
107.08611	25.3
109.06509	2.6
109.10168	35.9
111.08054	3.9
111.11733	6.6
116.98594	2.5
117.07034	3.7
119.08568	5.8
121.10155	50.7
123.08074	2.8
123.11722	21.8
124.01394	2.3
125.09676	3.6
131.08575	8.8
133.10156	13.2
135.11658	15.4
136.11986	2.4
137.09685	4.0
137.13237	10.0
139.11203	24.1
142.07791	2.2
145.10146	3.5
147.11668	8.9
149.09624	3.6
149.13220	8.2
151.11163	5.5
157.10062	2.6
159.11674	4.0
161.13258	5.4
163.14716	2.6
167.14334	4.2
173.13231	6.8
175.14883	3.1
187.13332	6.5
187.14899	5.1
191.14308	2.6
195.11893	2.1
195.13733	3.4
203.12798	7.3
209.15521	2.7
223.16963	3.2
233.22647	2.6
241.11118	3.8
243.21123	7.4
259.12296	2.6
261.22147	38.9
274.97601	5.5
279.23209	93.3
296.08673	2.4
297.18652	3.4
297.24182	5.1
297.29855	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	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.09785	1.8
51.36205	1.6
55.05505	13.5
55.93082	1.8
56.96572	1.9
57.03435	2.7
57.07064	6.8
67.05510	30.2
69.07069	15.4
71.08636	100.0
78.31846	1.6
79.05489	18.4
81.07060	52.6
83.04973	6.2
83.08627	15.1
85.06538	3.9
85.10153	2.5
90.94140	1.7
91.05472	17.8
93.07047	16.9
95.04957	1.8
95.08046	2.8
95.08610	34.4
97.06525	8.0
97.10167	7.7
98.20736	5.7
99.08100	85.8
105.07031	17.4
107.08588	14.2
109.10155	13.1
111.08064	4.9
113.09655	1.9
117.06995	3.8
119.08598	13.5
119.24873	1.8
121.10146	12.9
123.08058	2.6
123.11703	7.4
127.11211	2.5
131.08542	6.5
133.10101	6.2
135.08051	2.1
135.11688	10.4
137.13232	3.5
139.11131	2.3
143.10703	1.9
145.10129	6.2
147.11696	44.4
149.09627	3.0
149.13234	4.7
153.12749	7.7
157.10086	2.1
161.13293	4.2
163.11174	7.6
163.14769	15.4
165.12759	17.8
167.14354	3.0
169.12234	4.4
173.13245	4.9
176.86285	1.9
181.15877	8.5
187.14803	3.1
229.31909	3.0
233.22646	2.8
243.21027	12.1
251.23796	2.0
261.22208	16.3
276.86612	2.1
279.20248	3.7
279.23209	55.0
297.24399	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	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03953	7.2
55.01880	11.9
55.05250	5.0
55.05514	78.4
55.94845	2.6
57.03442	9.3
57.07075	17.0
59.05021	3.2
65.60805	2.2
67.05508	100.0
69.03422	7.1
69.07072	71.4
71.01373	3.4
71.04991	7.1
71.08627	15.3
71.30425	3.8
71.54072	2.5
73.78409	2.6
79.05496	42.5
81.07060	96.9
83.04984	6.7
83.08626	46.3
85.06545	8.0
91.05492	13.4
93.07056	38.3
95.04962	2.9
95.08609	82.8
97.06524	11.6
97.10176	59.1
97.10665	1.4
99.08085	5.3
104.98706	2.8
105.07035	11.6
107.08597	46.8
107.09280	3.9
109.09443	4.4
109.10162	53.6
111.08096	5.8
111.11733	5.3
113.09619	3.9
117.06995	7.1
119.08556	11.9
121.10144	16.3
123.08088	3.2
123.11719	23.6
125.09641	34.9
131.08578	10.6
133.10088	12.4
135.08070	7.5
135.11700	33.5
137.13245	13.6
139.11180	2.6
145.10156	6.6
147.11710	9.2
149.09628	5.2
149.13293	9.0
151.07611	3.2
151.14867	4.5
153.09109	2.9
153.12756	13.7
154.43904	2.8
157.10143	3.8
159.11710	5.2
161.13301	6.1
163.11249	3.6
163.14824	8.2
169.15913	5.5
173.11786	5.9
173.13300	6.0
177.12732	3.7
177.16374	4.1
181.12260	3.4
183.13808	38.2
187.13345	2.9
187.14867	7.0
189.11209	22.6
195.13739	3.4
209.15479	4.7
223.16988	2.9
233.22728	5.7
243.21109	14.3
251.23718	9.6
261.22156	32.7
279.20267	5.5
279.23209	82.3
297.18784	5.1
297.24307	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	298.0972
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.05523	0.2
56.96569	0.2
57.03439	0.2
61.01158	4.8
66.92463	0.1
69.03430	0.5
69.41252	1.2
69.81760	0.1
70.06590	0.6
71.01405	0.2
72.08155	0.3
75.02709	2.3
84.04527	0.2
84.08165	0.3
85.02921	0.3
86.09700	0.2
94.04047	0.4
97.02905	1.5
98.97629	0.3
103.02158	0.4
110.06033	0.2
110.07174	0.3
119.03572	0.9
121.35308	0.2
135.04460	0.2
136.06197	100.0
137.04582	0.5
137.06595	0.2
145.03210	1.4
151.03915	0.3
163.04298	1.4
177.05443	0.2
179.07195	0.2
189.32123	0.2
193.10863	0.5
227.28938	0.2
239.11348	0.3
239.51320	0.2
254.13969	0.3
298.09717	2.9
298.12659	0.3
299.05594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.054
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03937	0.3
55.01874	3.6
55.05498	0.1
56.79193	0.1
56.96560	0.1
59.04990	0.3
65.03925	0.1
67.01858	0.1
67.05495	0.3
68.99425	0.1
68.99787	1.6
69.03439	0.7
69.07059	0.2
69.68587	0.5
70.06587	0.1
71.01337	0.1
72.08134	0.1
79.01862	0.8
79.05479	0.4
81.03417	1.5
81.07058	0.5
81.54466	0.1
82.24504	0.1
83.04967	0.1
83.18098	0.1
85.02896	0.3
85.06528	0.1
87.00838	0.2
89.03914	0.4
91.05481	0.6
92.99755	0.6
93.07012	0.4
95.04997	0.2
95.08605	0.3
96.02103	0.1
97.02902	0.9
97.06522	0.2
98.97594	0.1
99.00817	1.0
102.72595	0.1
105.07021	0.3
107.01260	0.1
107.04950	0.2
107.08581	0.3
109.02897	0.5
109.06477	0.4
109.10158	0.1
111.04413	0.1
111.08089	0.1
113.02387	0.1
117.03369	0.2
119.04984	0.2
119.08553	0.1
121.02855	0.2
121.10143	0.1
123.00784	1.7
123.08043	0.2
125.09575	0.1
127.03909	0.3
129.06950	0.1
131.08582	0.2
133.06483	0.1
133.10147	0.1
135.04422	2.7
135.07991	0.2
137.02347	9.0
139.03917	0.1
139.07520	0.1
141.01831	7.5
141.07004	0.1
143.22417	0.1
147.00810	0.1
147.04376	0.2
147.08005	0.1
149.08365	0.1
149.09659	0.2
151.07484	0.1
155.03409	0.3
159.08034	0.2
162.05614	0.1
163.03883	0.5
165.01837	44.6
166.02173	0.3
175.03882	0.2
177.09087	0.3
181.06232	0.1
183.02898	16.8
184.03386	0.2
195.10165	0.3
197.05971	0.1
203.03429	0.3
207.06537	0.5
221.04469	0.2
225.05344	0.1
253.04965	0.3
264.15976	0.2
270.05209	0.2
271.06003	0.5
271.09753	0.1
281.04434	0.2
282.17111	0.1
299.05502	100.0
300.05960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14599	0.5
55.05499	2.4
56.96554	1.1
58.99850	0.7
69.07066	0.9
69.28703	0.5
70.11484	1.7
70.95853	1.8
83.04980	2.9
85.01408	1.3
98.21398	0.8
98.97591	7.6
101.00884	5.6
102.70334	0.5
103.02449	3.8
111.04449	1.8
113.05984	1.0
116.98626	4.7
119.01923	16.5
120.02007	1.1
121.03505	1.2
127.07554	1.9
129.05409	0.5
134.99652	1.7
137.02991	4.4
141.03989	1.3
143.05533	5.3
145.03471	6.9
147.05038	5.4
155.05731	0.9
155.07031	16.4
155.78844	0.5
157.03458	0.9
157.07085	4.3
157.08238	2.8
158.99873	0.6
159.05028	1.7
161.06609	7.0
163.04523	8.2
165.06116	3.8
167.05650	1.0
169.03545	0.6
169.07150	3.1
171.05045	3.4
173.06599	1.4
174.97778	1.1
175.08122	8.6
175.09346	0.9
177.00984	4.1
178.01080	2.2
179.00760	1.0
183.08615	1.3
185.06621	8.3
187.04521	1.9
187.08157	10.4
189.06105	13.1
195.05080	1.6
201.00856	0.6
201.06015	0.5
201.09700	2.8
203.02522	1.1
203.07625	3.3
204.02548	0.6
205.05504	1.0
207.07155	1.0
208.95914	0.6
209.96017	1.5
210.96118	0.6
211.04523	5.4
211.08147	1.3
213.06110	8.0
213.09669	4.8
214.95808	0.9
219.01994	9.3
220.02138	2.9
221.01799	2.0
222.01906	0.9
229.05595	2.2
229.09210	0.7
231.07124	3.0
231.10780	1.1
232.96741	1.7
233.96164	1.1
234.03810	0.5
234.95897	0.7
234.99930	0.5
237.06010	0.9
239.07600	1.0
243.02066	0.7
250.97786	1.6
251.97092	1.3
252.96864	0.7
255.07111	3.6
255.10739	5.7
256.97125	1.9
257.03555	0.8
257.08661	5.5
257.16003	0.8
258.99753	3.6
261.03076	3.8
262.03210	9.9
263.02896	1.3
265.78699	0.6
274.97644	3.4
275.04749	1.2
275.09650	0.8
275.97226	5.8
276.04562	3.4
276.96924	0.6
276.97900	0.6
277.00854	3.5
277.03586	0.6
280.96878	0.7
292.98749	0.9
293.98102	4.2
294.37881	0.6
294.98102	0.7
298.97925	7.5
299.09766	100.0
299.18881	1.6
300.10126	1.6
316.98825	10.3
317.07394	1.0
317.10748	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	299.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05515	4.9
56.96568	25.2
63.47296	1.6
67.05508	8.3
69.03426	3.9
69.07066	5.0
70.06589	3.8
70.98492	1.9
71.04992	3.0
71.60916	2.9
79.05489	5.8
81.03421	3.0
81.07053	12.3
83.04986	2.2
83.86417	1.7
84.04498	3.2
85.02956	1.9
85.06570	2.3
91.05501	8.1
91.81707	1.8
93.07050	8.1
93.22130	1.7
95.04977	4.9
95.08615	10.9
97.06552	3.9
98.97606	2.4
101.63985	2.1
103.05474	3.0
105.07034	7.7
107.04970	3.0
107.08611	3.6
109.06527	5.3
109.10161	5.5
112.07597	1.9
115.05450	5.2
117.06953	3.1
119.08579	7.0
121.06512	1.9
121.10151	4.0
122.03659	3.0
123.04466	2.2
128.81441	2.3
131.08594	3.2
132.05756	2.5
133.10135	5.2
137.02507	2.9
137.05994	12.7
137.09653	2.7
139.00728	4.1
143.08580	2.3
145.10144	3.5
146.06122	2.5
147.04433	4.7
147.08093	2.2
147.11726	3.2
151.03920	8.6
151.14938	2.0
155.08607	2.9
157.01776	1.9
157.10181	2.7
159.11652	2.7
160.05238	2.5
161.06047	2.0
165.06961	3.4
167.03745	2.1
168.13533	1.9
169.01781	3.4
171.03290	2.6
173.06091	2.3
175.07521	9.9
183.03174	2.1
185.04836	9.7
196.04945	1.8
203.05968	7.6
211.07657	3.0
213.05745	2.5
223.06374	3.9
235.07541	6.6
237.08002	3.2
239.10663	4.5
249.07883	8.9
255.09026	2.2
267.09033	100.0
271.09616	2.3
281.08936	2.3
281.11783	7.5
285.10110	96.0
290.10742	4.0
299.05563	8.0
299.09033	11.5
299.12537	31.6
299.16129	2.9
299.20181	5.6
299.23636	2.4
308.11743	4.1
317.12830	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14610	2.0
53.00312	20.2
53.03935	8.9
53.45345	2.1
55.01871	10.0
55.05257	3.4
55.05513	55.3
57.03174	3.3
57.03437	36.9
57.07064	8.9
59.05003	9.8
65.03920	3.0
67.05166	2.5
67.05507	36.8
69.03425	4.5
69.07069	11.3
69.53286	3.3
69.53605	14.9
71.01342	8.0
71.05009	2.7
71.08633	4.3
73.02903	3.3
79.05491	25.2
81.03424	16.1
81.07059	53.1
83.04971	8.7
83.08625	36.3
85.02898	2.2
85.06538	4.4
85.10202	2.7
91.05483	56.6
93.07050	43.6
95.04976	13.1
95.08611	16.3
97.02918	13.5
97.06554	9.8
97.10168	5.0
99.00170	4.0
99.00822	66.8
103.05473	5.8
105.07034	45.3
107.04955	16.1
107.08607	22.7
109.02892	28.0
109.06532	7.2
109.10167	15.0
109.43192	2.0
111.04470	5.3
111.08096	11.5
113.06019	2.4
115.03931	8.0
115.05450	2.1
117.07019	9.8
119.04935	4.2
119.08569	19.8
121.06534	18.9
121.10173	1.8
123.04509	2.8
123.08060	4.1
123.11717	10.0
126.81308	2.2
127.03921	5.5
128.06227	3.6
131.08569	4.5
133.06480	4.6
133.10135	100.0
135.08066	5.4
135.11737	3.8
137.05971	6.8
137.09595	3.3
139.07538	7.0
143.08560	15.2
145.06526	2.4
145.10135	5.4
147.11647	2.4
151.09975	2.2
151.11185	38.2
159.11705	2.1
161.09630	58.8
163.11203	3.9
165.09157	3.0
166.57158	1.9
169.10179	2.6
171.08041	10.0
177.35089	2.2
179.10689	36.7
189.09099	38.2
191.02579	2.5
197.11749	12.2
207.10156	14.9
225.11238	38.8
243.12308	6.6
299.14886	82.3
299.26239	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03932	1.5
55.01830	1.0
55.05516	4.3
56.96548	2.6
57.03428	1.3
57.07076	1.9
58.05236	0.7
67.05506	5.6
67.05801	1.3
69.03413	3.1
69.07073	5.5
71.04956	1.7
71.59334	0.9
79.05484	6.3
81.03404	2.5
81.07063	7.3
83.04981	3.5
83.08627	4.8
85.06503	1.8
91.05477	31.9
91.26395	0.9
93.07034	8.4
95.04959	2.5
95.08597	8.7
97.06511	1.3
97.10139	0.9
98.97592	2.0
103.05461	1.7
105.06374	1.6
105.07029	21.3
107.04906	0.9
107.08591	9.9
109.06487	2.7
109.10170	4.7
115.05415	2.2
116.06239	9.0
116.98632	1.0
117.07017	3.4
119.04939	8.1
119.08582	17.5
121.06493	1.9
121.10161	9.5
123.08068	3.1
125.09602	3.6
128.06218	1.7
129.07011	10.7
130.07800	0.9
131.08566	43.1
133.06456	1.8
133.10100	6.1
135.08041	3.0
135.11652	1.6
142.07753	2.6
143.08586	5.2
145.06482	1.4
145.10117	5.9
147.08020	1.9
147.11690	2.7
149.09575	6.4
154.07822	1.0
155.08524	3.2
156.09363	2.0
157.10100	7.4
159.08049	100.0
159.11655	3.8
161.09595	3.2
161.13252	2.7
165.06995	1.7
166.07745	0.9
167.08568	1.2
169.10121	4.2
171.11668	6.4
173.09581	1.8
173.13200	1.6
175.07535	1.0
175.11273	1.6
179.08647	1.1
180.09248	1.2
181.10065	1.6
183.11667	2.8
185.09608	1.7
185.13252	1.5
187.11201	2.6
189.12758	3.7
193.10115	2.7
195.08044	1.0
195.11673	1.7
196.12555	0.9
197.09605	1.4
197.13225	3.8
199.11203	6.4
199.14856	1.8
201.12769	2.9
206.10840	1.5
207.11697	3.0
207.13680	1.6
209.13045	1.6
211.11172	1.9
213.12772	1.8
221.13231	1.9
223.14827	1.7
225.12767	3.9
233.13141	1.1
237.16389	1.5
239.14297	2.2
239.18077	2.0
243.13844	3.1
253.19569	1.1
255.17766	1.1
257.18939	2.5
263.17984	3.8
267.09158	1.6
277.44003	1.0
281.19077	23.7
299.05591	2.7
299.09164	2.6
299.20035	45.1
312.04276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.47425	3.2
55.05510	17.5
56.96558	12.9
57.07087	4.8
65.03952	4.0
67.05522	21.4
69.03423	9.4
69.07065	14.6
70.88525	3.3
71.04976	4.9
71.59704	5.9
79.05489	15.3
81.07073	26.4
83.04989	10.0
83.08620	16.6
88.48208	3.3
91.04984	4.5
91.05479	25.8
93.07055	27.0
95.04977	49.3
95.08620	23.8
97.06539	7.7
98.97573	11.5
105.07043	34.9
107.08617	22.8
109.06526	19.1
109.10165	15.4
111.08113	3.6
111.15990	3.0
113.09679	4.1
116.98702	3.2
117.07005	12.0
119.04830	4.3
119.08582	57.1
121.06512	8.7
121.10150	15.5
125.09651	7.1
129.07002	5.1
131.08559	14.6
133.10153	30.3
135.08055	15.5
135.11682	9.5
136.06184	3.3
137.09604	8.9
142.07799	6.2
143.08583	17.7
145.10143	50.6
147.08015	4.5
147.11702	7.4
149.09612	3.9
151.11160	6.8
155.08519	8.4
156.09370	4.7
157.10147	18.8
158.07217	4.6
159.11710	12.0
160.12505	3.1
160.57610	3.4
161.09601	10.5
163.11221	5.7
168.09309	4.6
169.10143	7.1
171.11703	13.5
173.09644	9.5
173.13312	13.3
179.08490	4.1
181.10117	6.0
182.10831	4.9
183.11662	11.0
184.09003	3.5
185.09554	6.7
185.13275	9.6
189.09091	4.1
189.12750	7.3
193.10185	4.2
195.07979	3.5
195.11740	5.2
197.13295	15.9
199.14806	10.3
206.52274	3.2
207.11729	4.3
211.14789	7.1
213.12836	4.3
213.16455	5.7
215.14336	9.6
217.15878	6.0
223.14810	7.9
225.12833	8.4
233.13332	4.4
239.14120	3.6
239.17911	7.7
241.15761	10.4
243.13892	9.3
248.63919	3.5
253.19514	8.1
257.19022	14.6
269.15298	5.1
275.97803	6.8
281.18958	10.8
299.05560	6.0
299.14890	6.6
299.20102	100.0
299.23392	3.8
310.65802	3.4
322.40329	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	301.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.1
64.39563	0.1
64.56580	0.1
67.05505	0.2
69.07066	0.1
70.06245	0.1
70.06596	1.2
71.04996	0.1
71.06909	0.3
71.61124	0.1
79.05490	0.2
81.07038	0.3
83.00450	0.1
83.04963	0.1
87.27502	0.1
91.05458	0.3
93.07030	0.2
95.08592	0.2
96.81694	0.1
97.06525	0.1
98.97564	0.1
105.07029	0.2
107.08565	0.2
108.79885	0.1
109.10155	0.2
119.08590	0.2
121.10122	0.2
123.77174	0.1
128.06186	0.1
133.10107	0.1
134.03612	0.1
137.05971	0.1
138.41682	0.1
143.01918	0.1
143.08510	0.1
144.96693	0.1
145.10098	0.2
149.05971	0.4
151.03848	0.1
153.01830	1.7
153.07007	0.2
156.94702	0.1
157.10078	0.1
177.05457	0.1
181.06468	0.2
197.06058	0.1
198.06593	0.1
201.05455	0.1
203.03397	0.3
213.05347	0.1
213.08975	0.1
226.06230	0.1
229.04970	2.6
230.05696	0.2
241.08650	0.3
245.04630	0.2
257.04492	1.1
258.05240	45.7
259.05692	0.6
269.04620	0.1
269.08167	0.1
273.03915	0.5
273.07251	0.1
283.20728	0.2
286.04715	56.1
287.05057	0.7
301.07065	100.0
302.07410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.27570	0.1
55.05505	0.2
55.23295	0.1
65.03932	0.1
67.05492	0.3
67.52357	0.1
69.03452	0.1
69.07072	0.1
69.33375	0.4
69.33802	0.5
70.06569	0.4
73.02905	0.1
79.05458	0.2
81.07038	0.3
83.04967	0.2
89.01273	0.1
91.05472	0.2
93.07041	0.3
95.08562	0.2
98.97526	0.2
105.07021	0.2
107.08613	0.2
109.06521	0.1
119.08570	0.2
121.06454	0.1
121.10142	0.1
123.08025	0.1
124.01625	0.1
128.06297	0.1
131.04816	0.1
131.08551	0.1
133.10098	0.1
137.05957	0.1
145.10150	0.1
147.04306	0.1
149.05969	0.2
151.03848	0.1
153.01823	1.6
156.27457	0.1
157.10168	0.1
177.05476	0.2
181.06459	0.1
184.04977	0.1
197.13400	0.1
201.05540	0.2
203.03474	0.2
213.05464	0.3
229.04958	2.8
240.10185	0.3
241.08679	0.2
257.04517	0.9
258.05240	46.5
259.05600	0.7
269.04602	0.1
269.07977	0.2
273.03943	0.3
273.07471	0.1
283.20645	0.1
285.03928	0.3
286.04718	56.9
287.05069	1.0
301.07059	100.0
302.07431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0699
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01809	0.4
55.05412	0.9
55.05654	0.5
56.96478	0.6
57.03354	0.6
57.03597	0.4
67.05396	1.5
68.99720	0.6
69.03329	0.9
69.06943	1.1
69.07278	0.5
70.06474	2.8
70.06888	0.7
71.04884	1.0
71.06851	0.7
71.59946	0.4
72.08079	0.5
79.05361	1.6
81.03321	0.6
81.06929	2.1
83.04900	0.8
83.08517	0.4
85.06465	0.4
88.87764	0.3
91.05354	2.2
91.72531	0.4
93.06919	2.1
95.04868	0.8
95.08478	1.6
97.06432	1.0
97.10046	0.3
98.97484	0.7
105.06898	2.1
107.04858	0.8
107.08453	2.4
107.33625	0.3
109.06425	0.7
109.10041	1.3
111.07923	0.5
117.06932	0.5
119.04829	0.6
119.08572	2.1
121.06416	0.6
121.10002	1.3
123.08008	0.4
123.11613	0.5
125.09547	0.5
129.06828	0.3
131.08434	1.3
133.10007	1.6
135.07974	0.7
135.11578	0.8
137.05928	0.4
137.09438	0.6
141.06851	0.4
142.07617	0.7
143.08432	1.1
145.06517	0.4
145.10007	1.6
146.70883	0.4
147.11612	0.8
149.05885	0.7
149.13150	0.6
151.03781	1.1
152.06094	0.6
153.01845	3.8
153.07013	1.7
157.10001	1.3
159.11562	1.4
161.09526	0.6
163.11127	0.5
165.06870	1.1
165.08926	0.5
167.08476	0.4
169.06326	0.5
170.07193	0.5
171.02829	0.6
171.11635	0.9
173.13060	0.6
175.03905	0.7
177.12573	0.4
181.06380	1.6
182.07195	0.4
183.04225	0.4
185.13124	0.5
187.14731	0.5
189.12045	0.4
189.16301	0.5
195.08034	0.7
196.05278	0.4
197.05974	0.9
197.13234	0.6
198.06676	1.1
199.14786	0.8
208.05171	0.4
209.05991	0.6
210.06740	0.5
211.07516	0.5
213.08955	0.4
213.16637	0.5
215.14311	0.5
223.07477	0.7
226.06293	2.1
227.06935	0.6
229.04938	2.1
240.07762	0.4
241.08615	3.8
243.06425	0.4
255.06523	0.8
257.04373	1.0
258.05261	42.7
259.05710	0.8
269.08066	2.7
283.20618	1.2
286.04742	52.5
287.05170	0.7
301.07108	100.0
301.10547	7.5
301.21713	4.0
302.07455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74104	0.6
60.29733	0.6
70.24474	2.5
81.07012	0.7
139.03879	0.7
221.05098	2.5
301.12582	100.0
302.12997	1.6
302.68484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.6
61.02923	0.5
68.01098	0.5
69.03448	0.7
69.08429	0.5
70.06585	1.1
71.04975	0.8
71.17123	0.4
71.17453	1.0
78.69564	0.4
81.07028	1.3
85.02885	0.6
87.17684	0.5
93.79610	0.5
96.06875	4.3
97.07648	0.9
98.97587	0.7
114.72853	0.5
121.02849	0.6
125.07105	5.1
171.07664	11.5
171.91937	0.5
220.85255	0.5
221.05115	2.8
246.71063	0.5
269.15002	7.9
286.04984	0.6
293.93085	0.5
301.12576	100.0
301.17368	6.4
302.13004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
50.28106	3.6
55.01880	3.5
55.05513	13.0
57.07074	14.7
66.02962	3.7
67.05508	19.6
69.03432	6.9
69.07079	10.8
69.54765	23.9
70.06609	18.3
71.04996	5.3
71.08632	4.2
79.05484	22.0
81.07059	32.3
83.04989	5.3
83.08620	4.7
88.07643	16.2
91.05487	25.1
93.07055	31.4
95.04971	16.0
95.08609	23.2
97.06564	9.3
98.21436	5.8
102.09180	3.7
105.07034	41.0
106.08710	7.5
107.08616	39.5
109.06538	31.3
109.10157	23.9
111.08089	7.2
117.07021	14.3
119.08591	52.3
121.06538	8.0
121.10160	29.6
123.08069	5.6
123.11710	4.5
129.06992	5.2
130.07806	6.0
131.08583	53.4
133.10152	34.6
135.08078	25.8
135.11703	10.1
139.11159	4.7
143.08601	25.6
144.09373	6.9
145.10133	54.9
146.07288	5.3
147.08060	6.4
147.11699	17.3
149.13293	8.2
155.08539	8.0
156.09364	6.6
157.10170	14.2
158.10963	12.5
159.11670	17.5
161.09634	57.4
161.13197	4.2
163.11270	6.0
169.10208	5.3
171.11723	13.3
173.13280	91.4
175.11198	3.7
175.14839	11.4
181.10188	5.8
183.11702	7.5
185.13307	11.5
187.14781	6.6
189.12749	6.9
191.14272	26.2
194.10777	5.6
197.13309	4.3
199.14844	12.4
201.12762	5.7
201.16533	4.6
209.13310	12.7
213.16434	5.3
223.14886	9.7
227.14351	5.9
235.19791	3.3
265.19522	7.5
283.20572	23.6
283.28128	7.0
286.04688	8.6
301.07220	8.8
301.21680	42.2
301.25119	6.2
301.29028	5.0
302.27121	5.4
302.30563	100.0
302.33899	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	301.2164
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
53.03929	3.7
54.28755	2.6
55.05515	16.2
56.96571	4.2
57.03426	7.7
57.07084	11.9
60.04509	4.9
60.80027	2.4
67.05508	24.9
69.03441	3.9
69.07073	16.6
69.58118	17.3
70.06592	13.7
71.04977	3.9
71.08600	2.6
74.88690	2.2
79.05502	26.0
81.07048	26.9
83.05009	5.5
83.08632	5.7
85.02911	2.6
85.06511	3.3
85.10173	3.6
88.07632	13.8
91.05493	23.4
93.07042	31.6
94.08409	2.9
95.04947	12.6
95.08609	27.0
96.38503	2.1
97.01969	2.2
97.06536	7.5
97.10137	3.1
98.21465	4.3
98.97592	4.5
102.09167	5.7
105.07034	39.9
106.08659	11.0
107.05011	3.1
107.08598	30.0
109.06535	18.7
109.10144	15.8
111.08064	5.4
115.05440	2.4
116.98662	2.8
117.07012	9.3
119.08579	39.0
121.06480	8.0
121.10149	29.8
123.08077	5.6
123.11691	5.8
125.09662	2.9
127.62868	2.2
129.07011	5.5
130.14568	2.5
131.08577	33.9
133.10130	25.4
135.08087	15.9
135.11678	8.4
139.11171	8.3
143.08580	15.5
144.09285	5.8
145.10130	32.8
146.07301	5.1
147.08041	2.8
147.11656	10.2
149.09581	4.6
149.13243	4.6
154.94170	2.8
157.10089	10.9
158.10928	7.4
159.08057	5.5
159.11703	12.0
161.09622	31.1
163.11163	9.0
171.11662	8.5
173.09679	4.8
173.13269	61.8
175.11304	2.5
175.14818	10.6
179.08588	2.3
183.11790	2.5
185.09648	3.1
185.13248	6.0
189.12726	2.6
191.14293	14.2
197.13196	3.3
199.14803	8.0
201.12843	4.4
201.16443	3.4
203.14194	2.9
209.13339	5.5
213.16386	4.2
223.14815	4.7
225.16545	3.3
227.12570	3.9
227.14470	3.5
229.07439	3.1
239.24068	2.4
245.13760	17.0
247.08578	3.4
255.21213	3.0
258.05215	3.0
265.19495	7.7
272.94363	2.8
283.20532	9.9
284.29465	10.5
286.04684	12.1
295.95853	3.2
301.07004	16.6
301.13763	3.6
301.16797	10.4
301.21658	22.8
302.30536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.05499	6.4
56.96555	6.9
57.03419	8.0
61.02896	7.8
67.05499	9.4
69.03429	17.9
69.07073	6.1
69.94448	8.9
70.06596	18.0
71.04977	2.9
72.08159	100.0
73.02909	5.9
79.05492	8.4
81.03411	12.7
81.07051	12.2
83.08555	3.3
84.08144	4.3
85.02905	99.5
86.09706	26.4
88.44118	2.7
91.05479	13.8
94.06573	4.8
95.04953	7.9
97.02891	40.0
97.06504	3.7
98.20833	3.8
98.97572	16.0
103.03929	4.6
108.08104	13.5
109.02856	10.5
110.07104	2.5
110.97545	3.6
112.07601	9.9
116.98634	5.0
122.06015	8.5
125.06016	7.9
126.05498	9.7
126.09155	6.0
127.03922	16.8
128.12204	2.5
128.98570	5.0
132.10188	5.0
136.07573	21.5
140.07069	51.9
143.11795	53.2
145.04965	8.6
147.04385	5.1
150.09132	8.9
152.07072	23.4
153.06934	2.6
154.08670	3.6
156.55255	2.7
157.13330	4.7
161.90187	2.9
164.07069	27.5
171.11299	27.3
178.08685	18.1
179.54391	3.6
182.08139	88.8
188.54945	7.3
196.02847	3.2
206.08109	40.5
210.14890	3.6
218.08182	5.4
236.09148	4.2
237.02771	4.7
248.09195	8.9
260.11169	2.8
270.08484	3.3
297.06549	3.2
302.11597	6.4
302.18890	3.9
303.04990	4.5
313.14932	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19602	3.1
53.03939	4.5
54.98891	2.8
55.01878	3.7
55.05508	7.9
56.96547	7.2
57.03433	6.6
57.50513	2.8
58.26768	2.7
59.99273	3.0
61.02932	4.3
67.05500	6.2
69.03423	12.9
69.07053	6.4
69.93223	16.3
70.06596	23.0
72.08158	100.0
73.02907	3.5
79.05482	5.9
81.03428	10.0
81.07056	8.4
84.04508	3.3
85.02907	87.9
86.06085	2.9
86.09699	29.1
91.05482	10.5
94.06564	3.2
95.04990	6.2
97.02896	33.7
97.06615	2.9
98.21220	9.7
98.97588	15.0
103.03951	8.8
108.08118	14.2
108.66143	3.0
109.02895	10.0
112.07606	11.3
116.98653	4.0
122.06057	10.7
125.06052	7.1
126.05505	7.6
127.03930	17.9
132.10213	9.5
133.10042	3.3
136.07561	22.3
140.07068	50.1
143.11809	69.3
145.04980	8.8
147.04401	5.8
150.09195	5.2
152.07085	16.8
154.08698	5.1
155.83315	3.0
157.13387	8.1
164.07062	19.5
171.11273	37.3
178.08623	14.5
182.08142	80.9
188.55095	3.7
206.08131	39.6
229.18513	2.9
236.09277	3.0
248.09357	6.9
260.11017	5.1
302.12134	5.9
302.19107	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34459	1.0
53.03933	1.7
55.01879	1.8
56.96550	2.7
57.03421	2.3
61.02925	3.8
65.03933	3.1
66.53687	0.9
67.05509	34.4
69.03435	15.7
69.07063	8.6
69.55025	3.9
69.55444	2.5
70.06612	5.9
71.04995	1.5
72.08144	1.8
73.02914	1.3
81.03426	4.8
84.04513	1.4
84.08145	3.0
85.02911	45.2
86.09708	3.1
91.05476	1.5
91.28557	0.9
94.06580	1.9
95.04974	54.1
97.02894	41.4
98.21460	2.0
99.04471	2.6
103.03948	4.5
107.04976	1.8
109.02877	8.1
112.07611	42.9
113.06001	5.6
121.02889	1.2
122.06026	2.4
123.04460	1.3
124.07616	4.4
127.03922	6.3
129.10252	1.6
136.07602	4.0
136.82144	1.0
140.07072	100.0
145.05011	4.8
152.07024	1.5
154.08629	5.4
163.03912	1.1
164.07082	1.5
178.08629	4.8
182.08139	69.9
203.30554	1.1
206.08136	13.5
218.08217	1.9
221.03902	1.3
248.09178	8.6
284.11426	1.2
302.12589	2.7
303.01440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36080	1.4
52.38763	1.2
54.66919	1.5
55.01859	2.7
55.05502	1.6
55.45876	1.4
56.96558	3.2
57.03429	5.9
61.02942	7.8
67.05493	3.2
69.03434	16.8
69.07064	3.3
70.06573	6.0
71.04991	3.7
71.60236	2.2
73.02908	4.5
79.05495	2.5
81.02988	1.6
81.03413	10.2
81.07059	3.2
85.02906	100.0
86.09706	47.1
87.04453	2.4
91.03944	6.2
91.05483	4.5
91.35564	1.4
93.07048	2.6
95.08591	2.7
97.02898	24.6
98.97578	5.7
99.04439	4.4
105.07021	8.8
107.04958	2.6
109.02874	6.7
109.06519	1.6
112.07581	1.4
116.98674	2.2
119.08556	3.7
127.03913	27.7
132.10187	4.8
133.06496	2.2
137.05971	2.5
140.07114	1.9
143.11797	27.5
145.04962	47.4
145.06134	2.5
145.10127	1.5
163.06033	10.4
171.11292	7.8
180.08649	2.9
202.49045	1.7
242.08614	1.6
283.75101	1.5
302.07077	1.5
302.13840	1.6
302.22009	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	302.2074
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
56.96571	1.3
57.56164	0.6
59.43969	0.6
61.03901	0.5
61.78401	0.5
65.55067	0.4
67.05508	1.2
69.07068	6.5
69.37305	1.9
69.37731	2.3
70.06570	2.7
72.08147	0.8
73.40990	0.5
75.05605	13.1
79.05482	0.7
81.03411	0.6
81.07056	1.1
84.08160	0.6
85.02937	0.6
86.09708	100.0
91.05491	1.7
95.08618	1.0
97.02897	0.6
98.06055	1.8
98.21461	0.8
98.97564	0.9
99.06403	0.5
102.95610	0.5
105.07092	0.7
109.10172	0.6
113.16255	0.5
116.07104	0.7
121.02850	0.8
121.10092	0.7
130.06511	0.6
132.10208	12.4
136.06248	0.7
140.07048	0.8
143.11801	71.8
154.06487	0.7
155.06848	1.3
156.08069	1.2
157.08459	1.4
158.09610	2.6
159.10054	5.1
168.08031	1.5
169.08429	3.5
171.09831	1.1
171.11292	20.0
189.12331	3.2
197.08192	1.9
215.08931	1.7
257.18665	0.6
302.06949	1.4
303.01517	0.6
309.27744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67232	0.5
56.96569	1.3
59.30267	0.6
62.69059	0.5
67.05502	0.9
69.07076	5.7
70.06588	2.8
70.77569	1.9
74.14394	0.6
75.05611	12.4
81.07078	0.7
82.06591	0.7
85.02947	0.7
86.06068	0.7
86.09709	100.0
87.89222	0.6
91.05468	2.2
97.02879	0.7
98.06075	3.3
98.97601	1.4
112.07621	2.0
121.02892	0.8
129.07007	0.8
130.07335	0.9
132.10207	10.8
133.10168	0.7
140.07088	1.5
143.11803	77.3
144.06580	0.8
145.06908	0.9
154.06522	1.7
155.06805	1.5
156.08136	1.4
157.08478	3.1
157.34828	0.7
158.09674	3.8
158.72725	0.8
159.09140	0.6
159.10043	6.1
165.05539	0.7
168.08090	2.3
169.08466	4.4
171.11302	16.7
171.12695	1.1
189.12376	2.6
197.08139	1.1
214.08626	1.1
215.09074	2.1
258.17136	0.8
282.46832	0.6
285.12488	1.0
302.07214	1.2
302.10867	0.7
302.21100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
51.09972	0.4
53.03937	0.6
55.05512	5.1
56.05043	0.4
56.96566	1.8
67.05505	0.5
69.03432	1.1
69.07059	1.0
69.71754	1.9
69.72175	0.7
70.06589	3.3
72.08159	100.0
74.06064	0.7
79.05486	0.8
81.03447	0.8
81.07059	0.9
84.08160	0.7
85.02891	2.3
86.09713	18.7
91.05487	1.4
93.07055	0.5
94.06556	0.8
95.04945	0.6
97.02904	1.5
98.21552	0.8
98.97582	2.2
100.07639	1.1
101.10442	0.5
105.07078	0.6
106.79646	0.6
111.04425	0.5
112.07623	1.0
116.98634	1.0
118.08649	1.1
122.06020	0.8
123.08055	0.6
127.03949	0.6
129.10222	0.6
130.06548	2.4
132.10204	5.4
136.07596	0.7
140.07059	1.3
143.11801	65.6
157.13382	4.5
158.99678	0.7
159.10066	0.5
171.11298	26.4
182.08141	2.0
185.12885	2.5
188.07040	0.8
189.12431	0.6
206.08194	0.7
210.14738	0.5
219.01773	0.7
231.17033	2.1
237.02834	0.5
253.50423	0.6
267.15820	0.6
302.12341	0.9
302.19647	1.5
303.01254	0.7
303.13486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.9
61.02934	0.9
70.11665	3.2
82.99857	0.8
98.97584	10.7
101.00880	7.0
112.62506	0.8
116.98634	5.7
119.01920	12.7
121.01659	1.1
134.99727	2.2
137.02945	2.0
140.98912	0.9
142.03510	3.5
158.99887	4.3
177.00961	29.9
178.01025	1.4
179.00644	0.8
182.99905	1.5
196.94577	1.4
201.00903	5.6
202.93544	2.0
203.00826	1.5
214.92178	0.7
214.95610	2.7
217.04199	3.6
218.03587	2.0
219.02016	54.3
220.02049	1.2
220.94508	1.9
221.01752	3.4
223.01563	2.6
225.00980	2.7
226.95583	0.9
227.95474	1.4
232.96703	0.9
235.00133	1.4
238.46411	1.5
238.95557	26.9
239.95892	1.0
242.03584	0.9
243.02023	10.5
243.96075	0.9
246.94615	1.2
249.97211	1.4
254.93327	1.0
255.94978	2.3
256.45294	1.2
256.96658	100.0
257.96732	3.2
258.96747	2.2
258.99942	2.3
261.03079	96.6
261.97183	9.2
262.03223	5.0
265.95364	0.8
267.45758	1.3
268.45514	0.9
272.94577	1.3
274.94217	5.2
274.97696	21.0
277.01025	1.2
279.98236	48.4
280.98715	1.1
284.04517	1.1
284.99197	1.2
288.95673	3.7
289.45871	1.4
292.95114	2.2
296.85699	0.7
297.95969	1.8
297.99292	5.9
298.97635	5.8
301.01288	0.7
302.96973	1.5
303.00082	2.5
303.03967	1.6
303.91916	1.1
304.94302	1.0
309.96109	2.3
314.95657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86192	0.3
71.59676	0.5
98.97594	1.6
98.98086	0.4
101.00885	2.7
102.17415	0.3
116.98566	1.0
119.01936	6.3
128.91045	0.4
134.99763	0.6
137.02892	1.0
158.99876	1.8
167.20259	0.4
177.00969	13.5
178.00989	1.3
179.00688	2.1
182.99742	0.5
201.00989	1.7
203.00667	0.8
217.04141	2.4
219.02016	23.1
220.02104	3.0
221.01801	4.6
225.00919	1.8
226.01134	0.4
229.01289	1.3
236.89162	0.4
236.99878	0.6
241.01399	0.4
243.01990	10.6
244.02237	0.9
247.02271	0.9
256.96753	1.1
257.00781	2.4
258.99936	0.8
259.02545	0.5
261.03067	100.0
262.03229	12.0
263.02771	2.1
266.03397	0.3
274.97745	0.3
275.01886	1.8
275.04626	0.6
277.01184	0.4
278.96347	0.3
279.00797	1.2
279.06000	0.9
279.98126	0.4
283.00012	3.2
284.04666	2.0
284.99973	6.1
285.04822	0.5
301.01080	3.1
302.01263	0.4
303.01227	19.4
303.04776	2.3
304.01016	0.5
320.97571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31718	3.6
53.03960	5.2
55.01871	6.7
56.96571	26.5
57.03442	26.9
60.51231	3.9
61.02673	5.1
61.02934	55.2
69.03441	48.5
69.96260	13.9
69.96676	7.7
70.06593	9.5
71.01330	5.7
71.04980	4.8
73.02921	35.2
81.03407	13.9
83.00801	4.3
84.04534	5.1
84.08141	12.0
85.02913	100.0
86.03219	4.3
86.25484	4.2
91.03967	6.3
92.09718	3.9
95.06080	4.4
97.02906	37.0
98.97587	78.2
99.04462	5.4
101.00835	7.6
103.02439	17.5
109.02883	8.9
110.01286	19.2
110.07167	4.3
110.97575	13.4
113.00903	4.6
115.02431	5.4
116.98625	29.9
119.01852	40.3
121.03506	6.7
124.95515	6.3
125.01731	5.6
127.01542	4.1
127.03928	36.7
128.02315	39.2
128.98618	17.1
131.01886	27.4
133.03491	10.4
134.99673	4.8
136.03740	4.2
137.02907	6.2
140.02284	3.9
140.08151	4.2
140.98596	6.6
141.06592	8.3
142.96457	5.0
143.00018	5.1
143.01888	5.8
144.99850	6.5
145.03487	9.1
145.04984	12.7
146.02347	5.3
146.99646	15.2
147.01422	9.9
149.02930	7.5
152.02306	9.4
153.01302	6.3
155.01892	6.9
158.99619	13.3
160.02063	7.8
161.02948	11.7
162.01837	10.6
165.00786	6.8
168.01816	8.5
169.02579	8.8
170.96100	8.9
170.99643	17.6
171.01204	7.8
172.97623	4.4
172.99321	12.5
173.02963	16.4
174.01822	6.8
174.99202	7.7
175.02611	6.5
175.04718	4.7
177.00703	11.1
177.02322	8.0
182.03348	9.2
183.02325	21.1
184.97592	8.5
185.09198	10.1
185.85286	4.1
186.99223	6.6
188.97160	9.6
189.00742	21.2
190.03145	4.8
191.03902	17.4
192.02800	15.1
193.00264	6.6
199.00905	17.1
200.04468	13.0
201.00700	8.2
202.98669	10.1
203.04002	6.5
204.02867	42.1
204.53111	4.7
205.00099	8.6
206.98163	5.5
207.01797	6.1
213.03415	95.1
213.05818	4.5
213.06189	4.1
217.00217	6.4
217.02032	8.0
219.01761	14.7
221.05089	6.5
222.03874	23.3
230.98129	20.2
231.03659	11.4
233.54784	5.1
235.01277	10.1
237.02846	9.4
242.99965	9.3
244.99675	6.7
247.01199	6.3
263.00827	13.0
275.00894	6.3
279.03955	5.4
303.10724	25.3
303.13754	4.8
303.17862	9.4
305.01941	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	303.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25534	0.3
54.69924	0.3
56.05016	0.5
56.96553	0.6
60.76208	0.4
61.02926	0.6
61.91965	0.3
63.18973	0.3
69.03439	0.8
70.06586	0.4
70.92267	0.8
76.45914	0.4
81.04548	3.3
83.06118	0.5
84.45953	0.3
85.02893	0.8
86.06038	0.6
95.06079	1.5
95.07481	0.3
97.02896	0.6
98.97598	2.1
100.03921	0.3
101.00891	2.1
107.06113	0.3
114.05550	2.2
116.98636	1.0
119.01918	4.1
120.02000	0.7
124.08721	6.1
125.07125	1.0
125.43524	0.4
134.99782	0.5
137.03001	0.5
140.98877	0.5
141.10240	0.4
142.03493	1.2
142.09752	9.8
158.99886	2.3
163.57939	0.4
165.97711	0.5
166.09724	0.8
177.00960	16.8
178.01089	1.6
181.03508	1.4
182.99832	2.3
184.10828	1.0
185.09216	3.2
186.07690	0.5
186.98228	1.6
187.48332	0.6
196.95404	1.3
198.49063	0.8
199.04515	1.7
201.00922	7.3
214.96582	8.4
215.96768	0.4
219.02011	100.0
220.02126	3.1
220.45496	0.4
220.95425	0.6
221.02280	0.5
222.01888	0.5
226.95686	1.9
227.45709	0.5
229.46060	1.1
229.96313	0.5
237.03069	0.4
238.46544	1.3
238.96255	2.7
239.95526	1.9
242.03630	3.8
244.02113	0.8
249.97261	1.5
250.47365	0.5
256.97607	29.6
257.96701	7.7
258.96399	1.3
260.11176	0.5
261.03091	0.8
261.97461	0.4
262.03186	5.8
262.97375	0.5
263.02841	1.4
268.13022	0.4
269.44342	1.1
270.98859	0.4
274.97650	2.0
275.97864	1.4
278.01471	0.4
278.12338	0.8
278.44870	1.0
278.94138	0.5
279.98352	1.6
280.98322	4.6
286.13956	1.7
286.94537	0.4
287.12521	0.4
289.45599	0.7
289.95505	1.2
297.36066	0.4
298.98312	28.6
299.98480	0.7
304.15033	3.6
309.96494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83635	0.6
56.96569	36.4
59.71154	0.6
67.05497	1.3
69.07061	1.2
70.06573	0.7
71.60312	0.6
71.95275	3.1
72.96025	1.3
74.73054	0.6
74.97598	1.1
77.09731	0.6
84.96031	1.7
91.05485	0.7
93.07001	1.2
95.08601	1.5
98.97587	1.0
105.00143	1.6
110.97583	1.9
121.10178	0.6
123.01178	2.1
123.79953	0.6
128.98589	2.0
137.02739	2.1
139.00685	3.0
141.02214	1.7
145.01691	1.0
146.99702	0.8
151.00664	2.4
153.02220	6.0
155.03790	2.6
157.01712	2.8
159.03264	1.2
159.41232	0.6
163.04259	0.6
165.02216	1.7
167.03816	1.9
169.01747	3.9
171.03282	8.8
173.04860	1.5
175.02765	0.7
179.00345	0.6
181.01729	0.7
181.05342	1.7
183.03294	2.6
185.04892	8.0
187.02812	0.7
187.06491	0.7
189.04359	2.3
191.05759	0.7
194.04927	0.9
197.04872	2.3
199.06403	5.6
203.05899	4.0
203.29088	0.6
207.06895	1.7
208.91945	0.7
209.08467	1.4
211.06456	1.5
215.05833	1.5
217.07428	4.3
219.10619	1.3
221.04938	0.8
225.08041	3.7
227.09488	1.0
229.07414	0.9
233.08502	2.2
235.10101	1.6
235.52150	0.7
237.07967	1.4
239.05995	0.8
239.09515	1.0
242.24780	1.2
243.09145	1.4
245.08504	1.3
251.09619	4.3
253.11154	1.9
263.09531	17.5
269.10654	2.8
271.12192	0.6
277.00705	0.6
281.10614	100.0
282.10803	1.4
295.12094	0.8
299.11670	44.6
304.12177	12.4
304.28506	1.9
305.12488	0.9
322.13345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01875	2.0
55.55338	1.4
56.96573	1.5
57.03432	5.2
60.04537	7.7
61.02930	4.1
69.03437	17.5
69.07072	46.6
69.82716	7.8
70.06610	3.0
71.08632	23.0
73.02911	2.5
81.03432	9.0
83.04982	2.0
83.08611	2.1
84.04510	5.3
84.08128	1.4
85.02911	72.8
86.02430	8.7
86.06099	1.5
87.04504	1.5
91.03990	1.9
93.07042	1.2
96.04523	1.8
96.08167	2.7
97.02901	45.1
97.03505	2.7
97.06546	6.6
98.97594	5.5
99.04474	3.6
103.03947	6.3
109.02900	12.7
114.05554	1.7
114.09187	18.5
115.03963	1.6
115.45839	1.2
124.07619	2.4
127.03927	16.2
138.09143	4.3
142.08649	100.0
145.04973	8.6
156.10237	3.7
158.99678	2.2
177.00607	1.6
184.09700	83.2
194.07332	1.5
208.09702	19.2
211.07651	1.7
214.08849	1.4
220.09692	2.6
223.07480	5.8
223.70700	1.4
238.10718	1.6
250.10799	8.6
250.73987	1.3
259.54291	1.5
260.92392	1.6
268.09766	1.8
286.12836	2.8
304.11203	1.9
304.14285	2.1
329.29904	1.2
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
53.03961	0.5
55.01869	0.4
55.05508	0.8
56.05022	0.6
57.03413	0.5
60.08168	0.5
61.02922	0.8
69.03440	2.4
69.07070	0.4
70.06596	0.7
71.37152	0.7
72.19376	0.3
74.06065	0.5
74.76582	0.3
79.05495	4.9
80.05006	0.9
81.03418	1.1
81.04530	0.4
81.05800	4.3
81.07057	4.1
82.02966	0.7
82.06585	0.7
85.02908	5.0
86.06067	0.9
86.09705	3.2
94.06573	1.0
96.04494	1.5
96.08138	8.5
97.02884	1.6
97.06480	0.4
98.06063	0.5
98.97604	0.8
106.06607	0.7
107.04964	0.4
109.02894	0.6
109.05240	0.8
112.07607	1.0
114.05544	0.7
116.07001	0.3
124.07600	100.0
125.07883	0.4
127.03946	0.7
133.96733	0.4
142.08653	14.7
142.09746	1.7
143.11798	0.6
145.04988	0.5
148.07669	0.4
157.13338	0.6
158.34081	0.4
185.09230	1.0
185.13014	0.4
187.08722	0.4
187.14436	0.5
201.12267	0.6
206.11787	0.4
215.08220	1.0
215.13737	0.4
245.09311	0.5
287.10236	0.7
304.17722	0.6
305.11505	0.9
312.51974	0.3
326.60480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2119
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
55.01871	0.8
55.05524	1.9
56.05039	6.3
56.96563	1.1
57.03445	1.2
58.06601	3.9
60.04525	2.4
66.85376	0.5
67.05501	5.0
68.05022	0.7
69.03439	1.9
69.07070	1.8
70.06596	7.8
71.05000	1.0
71.59255	0.7
72.04515	1.4
72.08166	6.0
74.06084	100.0
79.05507	4.1
81.03423	1.2
81.04551	0.5
81.07057	4.2
82.06583	1.0
83.04985	1.3
84.00366	0.5
84.04506	1.5
84.08144	2.7
85.02901	1.6
85.06578	0.8
86.06055	0.9
86.09714	6.8
88.07631	2.2
91.05498	4.4
93.07058	4.0
94.06575	2.2
95.04974	1.8
95.08604	1.5
96.08150	1.5
97.02924	1.2
97.06545	1.9
98.06061	0.8
98.97602	2.3
103.05477	0.9
105.07054	2.4
107.08601	2.5
108.04485	0.5
108.08160	1.3
109.06519	0.7
109.10167	1.3
110.07204	0.5
110.97589	0.7
112.07663	0.9
112.08759	1.1
114.05541	1.4
116.98603	0.8
117.07037	1.2
118.06537	0.5
119.08583	1.4
120.08110	7.4
120.08937	0.8
121.06516	0.8
121.10156	2.5
130.06537	0.9
131.08572	1.6
132.01189	1.0
132.08098	0.7
133.10129	1.8
135.08069	0.7
135.11757	3.0
142.08644	1.2
142.09683	1.0
144.08046	0.9
145.10147	1.9
146.06003	1.5
147.11690	0.8
151.03896	2.3
158.06064	0.6
159.09177	1.1
162.05511	1.7
163.05827	1.9
163.11221	1.6
165.09125	0.5
167.06987	0.7
168.13904	0.6
177.00829	1.0
181.12250	1.6
185.09280	1.3
188.07057	2.9
199.13347	1.8
205.09824	2.2
214.08633	0.9
215.08241	0.6
219.01714	1.1
222.14946	0.5
237.03030	0.7
238.18108	3.5
240.15883	0.6
240.19783	0.5
242.17610	1.9
249.03818	0.5
250.18037	3.5
268.16418	0.7
268.19049	3.8
268.98904	0.5
286.13754	0.6
286.16547	2.4
286.20099	18.5
287.13922	0.8
304.13898	1.6
304.21182	68.6
328.98639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1282
Annotation	Nothapodytine B
Peak:m/z	Relative Intensity
53.03943	0.7
54.03458	0.8
55.01881	0.7
55.05492	0.8
56.05035	2.5
56.96569	10.0
57.03439	2.5
58.06596	1.2
58.99854	0.9
60.04542	1.6
60.05660	0.6
61.02932	2.2
67.05507	0.7
68.05042	1.1
69.03442	3.2
70.06596	6.1
70.64259	1.4
70.98126	3.1
71.04987	0.8
72.08167	1.9
73.02928	2.3
74.06087	0.9
77.00947	0.9
78.95274	0.9
81.03441	1.7
81.04549	3.1
82.06562	0.9
82.99851	0.6
83.04945	0.9
84.04503	1.1
84.08148	7.7
84.96043	1.1
85.02909	8.4
86.06059	4.7
86.09717	2.5
88.04002	1.1
88.99158	0.9
89.03957	0.7
91.05497	2.2
94.06573	1.5
95.04956	0.7
95.06094	1.9
97.02901	5.3
98.97586	7.7
99.04472	0.6
101.00888	10.5
101.02367	0.6
102.05537	0.8
103.00603	0.6
103.02457	2.0
103.03957	1.3
103.05492	1.7
104.05016	1.8
105.03410	0.9
105.07019	0.7
106.87683	0.6
107.04977	2.0
109.02902	1.6
110.01411	1.0
110.07207	1.4
110.97610	1.4
112.05098	2.4
112.07668	0.8
113.00922	2.2
114.05540	10.6
114.09193	0.8
115.02446	2.7
116.07111	1.0
116.98624	5.3
117.04076	0.8
118.06546	16.0
118.07330	1.1
118.08687	1.8
119.01929	20.1
119.04914	0.9
120.01984	0.8
121.01691	1.0
121.62753	0.6
122.06076	1.4
125.02416	0.9
125.07160	1.9
125.09113	0.9
126.95493	1.2
127.02441	1.5
127.03951	1.8
128.98604	1.0
129.10294	3.1
130.05066	1.1
130.06540	16.9
130.07469	1.3
130.93353	0.9
131.01912	8.0
131.07346	0.9
132.04454	4.8
132.08139	0.7
133.01706	1.5
133.03539	3.3
134.05930	0.7
134.99693	1.8
135.04355	1.4
137.02988	2.4
137.06000	0.7
139.02451	0.9
142.03371	0.7
142.08664	3.5
142.09682	1.6
142.96513	1.3
143.00208	1.0
143.01907	9.6
143.03093	0.9
143.08191	7.1
143.10100	2.6
144.08090	5.6
145.01746	1.5
145.03490	7.4
145.04851	1.2
146.06023	44.7
146.99698	1.4
147.01418	1.9
147.04335	0.9
147.06821	2.9
149.01250	0.8
149.02946	1.2
155.01910	7.4
156.02620	0.7
157.03487	6.3
158.06029	19.1
158.08110	1.7
158.99760	2.0
159.01314	0.7
159.05098	2.7
159.06877	1.9
160.07594	13.0
160.09677	0.8
161.02968	15.8
161.06741	3.9
163.03809	4.0
163.47055	0.7
165.00690	1.0
167.01973	2.1
167.07133	1.9
169.03542	3.1
169.09872	0.9
170.99799	0.8
171.05087	1.8
172.07568	7.0
172.94431	2.3
172.97614	1.6
173.01405	1.3
173.02953	9.7
173.06732	1.0
173.08267	1.4
173.13037	0.8
174.99187	1.1
175.04523	3.3
176.07668	0.8
177.00717	0.9
177.05576	1.2
179.00609	0.7
179.04103	0.9
179.07674	2.2
181.03502	1.5
184.96019	1.5
185.02974	14.1
185.06642	1.0
185.09319	0.8
186.07646	13.6
186.09320	0.9
187.02777	1.0
187.04588	3.7
187.08461	0.7
188.97101	1.4
189.02429	0.9
189.06126	0.9
190.95425	3.2
190.98615	4.4
191.04086	1.3
196.07610	1.6
197.02916	5.3
198.05455	0.9
199.08249	1.0
201.00766	1.1
201.02512	1.1
202.57558	0.7
202.98750	1.6
203.04012	14.5
203.07681	4.3
204.08244	2.5
205.00262	1.5
207.03671	0.9
209.06577	0.8
213.10127	0.7
214.06079	0.7
214.95377	0.7
214.98694	0.8
215.04048	5.7
215.07814	5.8
217.05696	1.3
217.09204	2.3
218.09735	2.9
219.01846	1.4
220.01944	1.3
221.03011	2.6
221.05185	4.0
223.01375	0.9
223.04880	1.6
224.04535	0.7
225.06181	1.0
227.04041	1.8
230.98236	1.1
231.06834	12.3
231.09096	1.5
232.07634	6.8
232.11227	1.8
232.96532	3.1
232.99721	1.9
233.05142	1.6
234.11678	0.7
239.04063	1.4
239.07756	1.4
242.09673	1.0
243.09320	1.8
244.07753	1.3
244.10114	3.6
244.98080	1.1
245.05046	10.2
245.07289	6.5
246.05489	0.9
246.09239	7.8
247.08905	0.9
248.99272	0.9
249.02644	1.6
249.07976	1.4
249.10214	1.0
250.97707	1.9
257.07147	7.5
257.97818	1.2
258.08069	4.2
259.08792	12.4
259.12408	7.8
260.10580	2.2
261.10300	1.5
262.11145	3.3
263.00644	1.3
263.03201	1.8
263.05853	1.1
263.08356	5.0
267.04050	0.6
267.07352	1.1
269.11060	0.7
270.09088	1.0
270.11569	3.1
271.08646	3.2
272.06543	1.5
272.09467	23.7
273.10333	3.0
275.05637	1.3
275.08261	16.2
275.11047	1.2
276.08929	5.5
277.06772	1.2
277.09842	8.1
277.13419	4.4
279.08032	0.8
281.01855	2.8
285.10159	1.6
286.11026	3.4
287.11841	70.6
288.12500	2.2
289.09665	6.1
290.10483	6.3
299.98727	1.4
300.97745	0.8
305.12939	100.0
306.13187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13522	2.5
55.01865	7.1
55.05507	7.2
56.96566	8.2
57.03430	8.0
61.02932	4.1
67.05501	6.6
69.03433	18.8
69.07059	9.7
70.06583	12.9
71.04991	18.9
72.08154	5.2
74.06071	3.7
79.05478	6.1
81.03410	9.5
81.07057	8.9
83.04966	8.7
83.06062	3.5
83.08643	3.2
84.04503	6.6
84.08145	7.3
85.02908	38.0
85.06540	8.1
86.06104	3.9
86.09699	6.0
91.05467	7.8
93.07015	5.2
95.04965	14.9
97.02904	16.6
97.10165	10.2
98.97577	20.1
105.07018	6.8
106.51513	3.0
107.04944	5.1
107.08596	27.6
108.08132	9.6
109.02882	8.9
109.06530	6.3
109.10171	3.7
110.06023	4.5
114.05528	11.3
116.98634	7.7
117.07061	3.9
118.06535	5.5
119.04893	4.4
119.07291	3.8
120.08141	9.2
121.06480	2.8
122.06033	4.8
124.07579	9.6
125.09634	51.0
127.03933	8.0
130.06540	6.8
131.04953	4.2
135.04431	3.5
136.06163	16.7
136.07584	63.0
137.05966	6.0
142.08652	10.0
143.08966	4.0
143.10692	45.0
145.02925	3.6
145.04997	3.8
145.06500	3.2
145.07631	3.4
146.06007	12.3
146.33458	3.1
148.07576	5.5
150.05566	3.4
154.08589	4.2
157.06538	4.0
158.06021	5.5
158.99741	3.8
160.07573	26.3
161.06015	4.6
162.05508	9.0
163.03915	7.5
164.07053	21.5
167.07031	5.9
167.10645	8.1
170.05971	4.6
172.06345	3.3
172.07623	4.0
177.00783	4.6
177.05418	8.4
179.06973	3.4
185.07240	3.7
185.10007	6.4
186.07668	10.4
187.08694	29.8
188.06949	3.6
197.10751	4.7
199.07431	4.9
201.10176	4.8
207.06567	6.2
209.11792	4.8
213.10295	5.6
215.08173	96.2
226.11057	6.9
229.09827	5.1
230.05898	3.1
233.08261	3.8
237.02734	4.8
240.12535	4.1
241.09636	7.3
241.13477	18.9
245.05046	4.6
245.09349	31.8
259.09412	6.4
259.14447	18.1
269.09604	5.6
269.12805	33.4
272.09366	3.0
275.52307	3.2
277.10144	3.9
287.10254	75.1
287.13907	30.0
305.02023	4.9
305.11328	100.0
305.15002	55.3
305.18451	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1744
Annotation	Miliusol
Peak:m/z	Relative Intensity
53.03936	14.3
53.97964	4.9
55.01867	9.4
55.05524	32.4
56.96568	14.8
57.03441	82.6
57.07085	7.7
58.97293	4.6
59.04983	6.2
65.03944	5.5
67.05510	43.0
69.03419	12.5
69.07071	26.1
69.60587	28.6
71.05003	18.4
75.24414	4.9
79.05502	66.1
81.03428	18.8
81.07053	77.4
83.05003	7.9
83.08617	15.3
85.06561	5.4
89.25093	5.1
91.05486	61.8
93.07057	51.1
95.04972	45.8
95.08617	38.1
97.06543	8.4
97.10202	10.1
98.21465	10.7
98.97576	9.3
99.04462	11.6
105.07034	53.0
107.04980	29.2
107.08607	36.4
109.06526	100.0
109.10181	15.5
111.08065	7.9
115.05420	9.7
116.98625	8.8
117.07042	17.6
119.04958	11.4
119.08602	38.8
121.06483	18.6
121.10145	16.2
123.04428	17.3
123.08083	17.9
123.11703	5.3
125.09678	9.0
128.06250	6.9
129.07013	14.7
131.04951	5.6
131.08575	32.7
133.06487	25.7
133.10135	20.1
134.99675	5.7
135.04414	7.5
135.08060	37.5
135.11697	9.9
137.05983	64.4
137.09633	8.4
141.06989	7.0
143.08580	13.8
143.78178	5.5
145.06438	10.3
145.10120	17.3
147.04427	9.8
147.08055	19.9
147.11697	6.8
149.06001	12.4
149.09598	19.3
149.13246	10.6
151.07567	22.8
155.08647	6.8
157.10120	15.0
159.08055	11.3
159.11743	8.5
161.05995	23.3
161.09596	13.1
161.13266	8.8
163.07542	9.6
165.09154	6.5
169.10199	7.4
171.08090	5.6
171.11670	13.0
173.09659	12.3
175.07520	38.9
175.11113	5.7
177.00494	5.6
177.09161	10.3
181.08627	4.9
185.09682	10.1
185.13231	11.3
187.11211	9.9
189.09152	13.3
203.10754	9.2
205.12169	7.8
213.12822	14.2
224.08154	7.5
231.13844	40.4
237.06320	5.7
241.15915	10.8
245.15503	5.6
245.19127	5.4
249.14856	5.8
259.16861	25.2
269.15305	16.8
287.16446	70.1
287.19650	10.5
305.17496	69.9
305.21198	26.6
305.24472	9.1
317.71359	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	305.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01870	0.5
55.05522	1.8
56.05025	0.4
56.96563	1.4
57.03428	1.0
57.07078	0.6
59.05007	0.3
67.05509	2.9
68.05821	0.3
69.03416	1.5
69.07072	2.5
70.06577	0.4
71.04989	1.0
71.60207	0.6
79.05502	2.1
81.03412	0.8
81.07063	6.5
83.04971	1.0
83.08618	0.8
84.04509	9.3
84.08165	0.6
85.02908	16.2
85.06535	0.7
86.06065	0.5
87.04469	0.6
91.05480	2.1
93.07048	4.2
94.06516	0.3
95.01324	1.6
95.04971	2.3
95.08605	4.3
97.06561	1.4
97.10216	0.4
98.97581	3.4
99.04473	0.3
99.08088	0.3
102.05544	6.9
103.05472	0.4
103.92973	0.3
105.07040	2.8
107.04958	0.9
107.08596	3.5
109.02879	0.4
109.06508	1.3
109.10167	3.1
111.08092	1.2
112.03964	1.2
112.99104	0.3
113.02357	1.7
114.05531	0.4
115.05473	0.6
116.98619	1.5
117.07021	0.4
118.06552	8.4
119.08577	2.9
121.06496	0.5
121.10172	2.3
123.04449	1.6
123.08077	1.0
123.11729	2.1
124.34685	0.3
125.09624	1.1
127.11195	0.3
130.05009	43.8
131.00195	0.6
131.08554	0.6
132.08098	3.3
133.06496	0.4
133.08934	1.7
133.10118	1.3
134.09691	0.9
135.08055	0.5
135.11688	1.4
136.07617	0.8
137.05971	0.4
137.09624	0.7
137.13278	0.5
139.11140	0.6
142.07716	0.4
143.08525	0.3
143.10651	0.3
144.08041	0.4
145.10126	1.5
146.06050	0.4
146.09650	2.7
147.04449	0.3
147.08096	0.3
147.10530	0.5
147.11691	1.6
149.01286	0.4
149.02359	1.3
149.09677	0.6
149.13260	1.0
151.11171	0.5
153.01845	1.9
157.06436	0.4
157.10185	0.4
158.99666	1.1
159.06839	0.4
159.11697	0.9
160.07541	0.6
161.13235	0.7
163.03871	0.4
163.11150	0.5
163.14870	0.4
164.07091	0.7
165.12820	0.6
171.11633	0.8
173.13286	0.8
175.04053	0.4
175.14861	0.5
176.14354	100.0
177.00714	1.0
177.05553	0.5
177.12762	0.6
177.14655	1.0
179.14227	0.3
185.13229	0.5
191.06898	0.4
195.02933	0.4
201.09042	0.4
201.16446	0.9
202.15907	1.2
207.06577	0.7
213.16432	0.6
215.72011	0.3
216.13799	0.5
219.01743	0.3
221.05157	0.3
224.08044	1.0
231.06578	0.8
234.06766	0.4
241.04799	0.4
245.04950	0.4
259.06076	0.6
267.13626	0.4
269.22781	0.4
287.05634	0.4
287.09848	0.4
287.13120	0.4
287.23624	1.3
288.11157	0.4
288.12369	0.3
288.15930	5.3
305.05338	0.6
305.10699	1.0
305.18607	21.8
305.24438	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	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01888	7.4
55.05514	14.7
56.96553	2.5
57.03425	4.7
57.07076	1.9
59.05007	1.7
61.65256	1.1
65.03940	6.5
67.05508	60.3
69.03408	3.9
69.07065	11.1
69.41513	9.9
71.04996	1.8
79.05492	33.2
81.03401	3.1
81.07059	54.5
83.04974	10.9
83.08607	5.4
85.06539	4.1
89.55513	1.3
91.05486	27.7
93.07053	24.5
95.04971	100.0
95.08612	19.4
97.06510	4.4
97.10144	1.8
98.20782	3.0
99.08016	1.7
103.05489	1.5
105.07037	22.1
107.04955	15.0
107.08601	14.4
109.05777	1.8
109.06516	35.9
109.10194	6.9
111.08096	3.2
115.05462	2.4
116.06247	1.8
117.07019	9.4
119.07854	1.7
119.08581	13.4
121.06519	10.9
121.10145	8.9
123.08067	5.0
123.11678	3.7
125.09628	3.0
129.07014	8.0
130.07690	1.6
131.08563	14.6
133.06497	5.7
133.10112	6.7
135.08058	21.9
135.11714	6.2
137.05984	4.4
137.09645	2.2
143.08534	9.6
145.10109	10.3
147.08058	6.7
147.11688	4.5
149.09622	8.0
149.13243	3.4
150.39313	1.2
155.08670	1.4
157.10123	4.4
159.11671	6.1
161.09619	5.2
161.67099	1.4
162.07668	1.5
163.07596	1.6
163.11179	3.4
169.10098	2.0
171.11667	3.7
173.09648	1.9
175.11176	2.4
175.14891	1.7
177.12770	2.8
185.13177	2.5
187.11119	2.9
205.12187	2.0
217.15814	3.8
221.15350	3.0
227.17900	2.8
237.16374	1.6
245.18948	1.7
253.75830	1.2
273.18500	26.4
287.20047	2.0
305.21103	20.1
305.24591	2.3
306.27988	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03937	2.6
55.05512	28.4
55.98571	2.2
57.03431	3.9
57.07062	10.3
59.04996	5.5
60.39320	2.4
67.05513	24.4
69.03420	8.5
69.07074	37.6
70.06581	6.7
70.84429	4.0
71.04996	26.4
77.75407	2.3
78.00365	2.6
78.32571	2.2
79.05050	2.9
79.05491	34.3
81.07063	100.0
83.04976	4.4
83.08610	10.1
85.02873	2.8
85.06534	6.8
86.55035	2.4
88.07634	4.6
91.05490	22.7
93.07052	72.6
95.04990	14.9
95.08032	4.4
95.08611	62.8
95.09216	3.2
97.06522	10.1
97.10159	7.6
98.97582	4.3
99.08080	5.0
105.07040	41.4
107.08601	61.2
108.92160	2.2
109.06522	17.9
109.09454	3.9
109.10162	35.2
111.08083	5.5
111.11757	3.2
113.09656	2.7
116.98617	3.3
117.07005	3.2
119.08598	37.8
121.06524	3.5
121.10154	54.0
123.08081	6.3
123.11713	20.6
125.09624	11.2
127.07540	2.9
127.11211	14.1
127.22477	3.0
131.08548	12.7
133.10168	19.7
134.39687	2.5
135.08072	2.8
135.11684	28.4
137.09634	7.5
137.13235	4.7
139.11186	17.3
142.07756	3.0
143.08562	2.7
143.10646	7.9
145.10138	19.5
147.11690	36.3
149.09605	7.5
149.13264	25.7
151.11182	7.8
153.12791	6.4
157.10115	9.8
159.11673	20.7
161.13210	12.8
163.14833	6.6
165.12753	4.0
167.10689	14.1
171.11723	6.7
173.13248	10.5
175.14839	6.5
177.16365	5.7
185.13321	5.9
187.14723	5.7
189.16347	6.9
191.17891	2.7
193.15813	3.1
195.17410	4.9
199.14932	4.5
200.20039	5.7
201.16438	23.3
203.17989	6.7
205.15897	6.1
207.17433	5.8
213.16418	4.2
215.17944	4.9
217.15921	3.2
217.19482	2.6
219.17438	5.3
223.16922	5.7
229.19476	4.2
244.22778	13.6
269.22696	10.2
287.23663	20.8
305.17511	3.2
305.24747	47.3
306.26404	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03945	3.7
54.94252	1.5
55.01867	5.6
55.05516	21.1
55.60770	1.6
56.96558	1.4
57.03424	2.4
57.07074	10.0
59.04996	4.3
67.05511	34.3
69.03436	8.5
69.07076	52.8
70.06586	3.5
71.04998	11.8
71.08636	2.2
71.61176	2.3
72.41901	1.4
75.80975	1.3
76.16391	1.5
79.05504	26.9
81.07061	97.3
83.04995	8.5
83.08624	15.9
84.04491	1.6
85.02908	2.0
85.06554	11.8
86.06081	2.0
86.09686	2.4
91.05483	16.7
93.07053	64.5
95.04979	21.4
95.08612	71.1
97.06541	14.9
97.10161	6.4
98.97608	8.9
99.08093	4.0
103.05438	1.7
104.05357	2.3
105.07041	32.7
107.04955	2.6
107.08602	54.2
109.06534	15.7
109.10164	43.7
111.08091	37.5
111.11720	6.2
114.11018	1.5
116.98662	2.7
117.07039	3.7
119.08585	28.5
121.06527	7.0
121.10165	35.8
123.08085	12.6
123.11724	35.1
125.05954	2.0
125.09631	6.5
127.11179	6.3
128.23651	1.6
129.07036	2.0
130.05014	3.4
130.06534	3.4
131.08574	7.8
132.10251	1.7
133.10139	25.0
135.08060	6.9
135.11702	29.8
136.07671	1.8
137.06013	1.4
137.09631	9.3
137.13239	9.4
139.11206	12.3
142.07771	2.3
143.08556	3.5
144.09352	1.9
145.10136	12.7
146.06239	2.3
147.08070	2.3
147.11717	21.5
149.09628	6.5
149.13251	14.5
151.11176	19.2
153.09088	1.7
153.12764	7.9
155.10661	3.5
157.10167	6.2
158.99628	2.7
159.06799	2.9
159.11685	13.4
160.07629	2.0
161.09528	5.6
161.13237	10.4
162.12729	2.0
162.82280	1.6
163.11156	8.3
163.14865	5.0
165.09070	1.5
165.12775	10.7
167.10707	6.5
169.12210	3.6
171.11716	4.1
173.13271	5.8
175.11189	3.8
175.14801	4.6
176.14357	6.9
177.12724	3.5
177.16328	2.5
179.14337	1.9
181.12196	6.2
185.13176	4.3
187.14821	5.6
189.16406	4.6
191.14287	2.8
191.17912	2.0
193.12259	2.4
193.15816	3.9
199.14824	4.2
201.16359	7.9
203.17967	3.5
205.15875	5.3
207.17513	5.8
213.16368	5.1
215.17969	2.6
217.19528	3.5
219.17519	3.3
227.18073	1.9
229.19476	4.5
231.17458	2.2
235.16829	2.1
239.62810	4.2
247.20514	4.0
247.64532	3.0
249.18674	1.8
259.24249	2.3
261.22147	1.9
269.22717	5.4
275.23804	2.1
278.12680	1.7
287.09833	1.7
287.23682	24.4
296.67902	2.3
305.08151	3.4
305.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1237
Annotation	Makaluvamine M
Peak:m/z	Relative Intensity
55.05510	1.0
55.71961	0.7
56.96548	1.2
57.03423	0.7
58.06572	0.6
58.48985	0.6
59.19752	0.6
67.05507	1.3
68.68269	0.6
69.07047	1.3
69.37984	5.5
70.06592	0.9
74.06062	1.1
80.04990	0.8
81.03402	0.8
81.07069	3.0
82.07370	0.7
84.08183	0.7
85.02890	1.3
88.03922	0.7
91.05453	0.9
93.07057	1.1
95.04936	0.8
95.08607	2.4
97.06494	0.7
98.06008	0.7
98.97588	1.1
100.07621	1.4
105.06984	1.3
107.08569	0.7
108.04477	12.0
109.06519	0.9
109.10143	1.4
117.05755	1.4
118.06530	0.9
119.04824	0.7
119.08565	0.9
120.04427	2.2
121.10136	1.2
124.12010	0.6
130.04997	1.7
131.05350	0.7
133.10094	0.6
137.06006	1.3
140.07053	3.1
144.04465	12.7
152.05748	0.7
160.03941	1.2
162.05516	0.9
168.04457	4.0
174.13620	0.7
176.14313	1.8
177.14694	3.1
180.08032	0.9
194.09589	1.2
202.35890	0.7
204.08157	1.6
206.08250	3.9
207.06639	0.6
216.08189	0.8
218.08330	1.8
219.09279	1.0
220.09926	1.1
221.10751	4.0
231.09158	2.3
232.09862	2.0
233.10718	7.7
234.07910	2.4
242.08337	0.9
243.09125	3.0
244.07756	0.6
246.07985	1.4
248.09445	1.1
249.10243	52.8
250.08496	0.9
259.08682	2.5
260.09387	1.3
260.11887	2.6
261.07248	1.1
261.10229	26.9
266.85596	0.7
270.10236	4.3
271.11069	2.4
277.09723	100.0
278.10107	1.4
278.12851	6.0
287.10538	7.1
288.11316	60.6
289.09683	35.8
306.12411	15.7
306.18100	1.3
306.25235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
55.23021	0.4
59.14882	0.4
69.07056	1.6
70.10454	0.8
70.10851	0.9
75.05215	0.3
79.05491	1.0
80.24915	0.4
81.07035	0.8
84.02686	0.5
89.17570	0.3
91.05467	0.7
93.07041	0.5
94.04201	3.3
98.21431	0.4
100.07617	0.5
109.10139	0.8
122.03657	7.1
129.12112	0.4
133.10100	0.6
135.11684	0.9
137.05981	100.0
138.06285	0.5
153.12737	1.5
170.15401	1.9
182.15366	2.7
306.20731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06144	0.8
55.01868	3.3
55.05518	6.3
56.96561	2.7
57.03432	1.4
57.07065	3.5
67.05216	1.0
67.05515	12.5
67.79478	0.8
69.03416	2.6
69.07074	10.0
69.91018	1.0
70.06586	2.3
71.04991	1.5
71.08630	9.5
72.08144	1.0
79.05489	7.4
81.07062	13.6
82.36563	0.8
83.04966	1.3
83.08638	2.4
85.06545	2.1
86.06051	1.1
86.09718	1.4
91.05480	6.5
93.06526	1.5
93.07054	16.3
94.04162	1.6
95.04971	12.2
95.08611	18.9
97.06527	4.7
97.10171	1.5
97.37123	0.9
99.08118	6.0
100.07589	2.1
105.07042	7.3
105.28502	0.9
107.04933	1.8
107.08606	11.6
109.06528	16.7
109.10170	7.3
111.08073	1.6
112.07635	1.0
114.09130	1.0
117.07027	1.3
119.08582	8.0
121.06512	6.1
121.10165	5.9
122.03658	8.6
123.08087	2.7
123.11729	1.5
125.09632	1.5
129.07011	0.9
131.08560	5.3
133.10146	4.1
135.08072	4.9
135.11687	3.1
137.05988	100.0
137.09592	5.3
145.10130	4.0
147.08038	1.0
147.11699	4.0
149.09642	1.9
149.13295	1.9
151.11211	1.4
151.14815	1.2
153.12785	2.5
154.12282	3.1
159.11703	2.1
161.13271	2.1
163.11156	3.8
163.14821	2.6
165.12772	53.6
170.15422	2.2
173.13278	3.7
175.11211	3.6
177.12735	2.2
182.15419	2.5
183.11526	1.1
184.13335	3.0
191.14290	9.1
192.13837	2.2
201.12746	1.8
205.15904	1.5
205.46294	0.9
208.16956	1.3
221.15318	1.5
229.19415	1.4
233.15440	1.3
243.21129	1.4
261.22180	3.7
270.11612	0.9
271.20578	2.6
289.21640	45.3
306.18286	1.2
306.21594	1.3
306.24304	27.7
306.27798	1.2
306.31537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49592	0.9
54.72514	1.3
55.05505	1.0
55.16772	0.9
56.05041	0.9
56.96555	3.2
57.03440	1.1
57.83476	1.0
60.05650	5.1
63.09642	0.9
67.05489	1.9
69.03419	2.6
70.06590	2.3
71.05000	1.1
71.60769	1.3
72.08162	11.7
79.05499	1.3
81.03419	3.7
81.07032	1.4
83.04942	1.2
84.04514	1.3
84.08143	3.6
85.02905	4.9
87.00841	2.0
89.03925	4.8
91.05499	1.6
94.06568	4.3
95.04972	1.2
97.02866	1.9
97.06527	1.5
97.07667	1.5
98.97575	6.0
99.04463	2.7
100.07611	0.9
103.03924	4.7
104.07106	1.2
109.02907	1.7
109.10207	1.2
114.10290	19.3
115.05441	1.3
115.08694	2.9
116.07102	1.2
116.98688	1.6
117.03391	17.9
117.06979	1.3
127.03938	6.7
130.06537	83.8
131.00156	1.2
131.04939	1.1
131.12926	7.1
132.04469	22.2
133.02852	1.0
134.03693	1.2
135.04399	0.9
140.07106	1.2
145.02853	60.8
146.05995	7.7
147.04385	1.3
149.05983	6.5
157.07623	70.4
157.27367	0.9
158.06020	90.8
160.07599	4.7
161.05927	1.0
162.05502	1.5
163.03917	2.3
167.07053	1.3
168.98125	1.9
172.07668	1.2
173.07198	4.9
175.08675	44.4
176.07089	2.5
177.05475	100.0
181.04959	3.1
186.99225	1.8
187.08780	1.4
197.07094	1.9
199.08835	2.1
200.07120	2.3
201.06581	4.3
203.08170	4.0
205.00203	1.2
205.08603	1.5
215.08286	2.8
219.01738	1.7
221.09268	4.0
225.06598	1.4
228.10342	1.5
233.05978	1.6
241.93285	1.1
243.07729	11.6
245.09291	1.3
245.12967	6.2
247.07335	3.6
247.14417	2.1
248.12978	2.2
261.08698	36.7
271.07227	2.7
271.10577	1.0
279.06778	1.3
289.08228	8.9
289.11887	4.6
289.15192	1.3
290.14975	7.7
307.09244	3.8
307.12753	5.4
307.17664	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1442
Annotation	N-Cinnamoyl Serotonin
Peak:m/z	Relative Intensity
50.01599	0.2
51.02382	0.3
53.03947	0.7
55.01864	0.2
55.05514	1.2
55.63102	0.2
56.96559	0.2
57.03448	0.2
57.07068	0.3
66.89340	0.2
67.04251	0.2
67.05511	1.5
68.99783	0.2
69.03424	0.3
69.07073	1.8
69.35391	0.7
69.35820	0.8
71.04990	0.3
77.03936	0.5
79.05495	1.0
81.03416	0.4
81.07061	2.9
83.04990	0.4
83.08614	0.6
85.06557	0.2
91.05486	3.4
93.07049	1.6
95.04974	1.5
95.08617	2.5
97.06521	0.7
97.10189	0.4
98.97616	0.3
99.04441	0.2
102.04722	0.2
103.05473	39.3
104.05795	0.4
105.04531	0.3
105.07056	1.4
107.04962	0.3
107.08592	1.9
109.06532	0.9
109.10165	1.3
111.04433	0.2
111.08096	0.5
115.05459	2.0
117.05773	0.8
117.07016	0.4
118.06523	0.3
119.08602	0.9
121.06503	0.6
121.10156	1.1
123.08088	0.4
123.11718	0.7
125.09632	0.4
129.06996	0.5
130.06491	0.5
131.04933	100.0
132.05273	1.1
132.08089	3.0
133.06500	0.9
133.10153	0.7
135.08008	0.3
135.11702	0.5
137.09644	0.3
137.13237	0.3
142.06483	0.3
143.07379	0.4
144.08087	0.2
145.10126	0.5
147.11684	0.4
148.07692	0.9
149.09633	0.3
149.13286	0.4
151.07568	0.3
151.11153	0.3
159.06795	0.3
159.08058	0.2
159.11656	0.2
160.07587	42.9
161.07901	0.3
161.09608	0.2
161.13187	0.2
163.03830	0.2
163.07410	0.2
163.11198	0.3
163.14706	0.2
170.18266	0.2
173.09653	0.2
174.09099	0.2
177.10275	1.9
181.04976	0.2
186.05432	0.2
194.72935	0.2
201.16429	0.2
203.08180	0.5
204.06586	0.5
215.18004	0.2
217.19557	0.2
219.08054	0.2
221.07932	0.2
242.38283	0.2
242.78792	0.2
244.11182	0.2
257.02798	0.2
261.18503	0.2
262.12323	0.3
264.07950	0.3
271.16830	0.3
271.24405	0.2
272.10580	0.2
275.09314	0.4
289.18130	1.0
289.21130	0.2
289.25314	0.2
290.11761	7.9
307.09732	0.4
307.14474	4.3
307.18912	1.1
307.26126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03946	10.9
55.01867	24.9
55.05513	55.0
56.96556	18.2
57.03444	57.4
57.07066	19.3
59.04997	9.5
65.03914	9.1
67.05505	79.4
69.03428	8.4
69.07066	45.5
71.04975	14.0
71.08620	21.1
71.59617	11.5
73.06556	16.7
79.05498	73.2
81.03407	15.1
81.07062	100.0
83.04984	61.2
83.08595	22.0
85.06565	10.5
89.06028	23.8
91.05494	78.4
93.07056	75.2
95.04987	39.0
95.08617	72.8
97.06509	24.6
97.10162	12.4
98.98481	10.8
99.04477	11.2
99.08077	13.5
105.07034	66.1
107.04966	52.4
107.08597	63.5
108.05691	9.0
108.08923	9.9
109.06532	59.5
109.10191	44.8
111.04443	38.8
111.08081	12.1
117.06995	19.2
119.08601	46.3
121.02876	19.7
121.06519	18.7
121.10131	32.5
123.08118	38.9
129.07024	16.1
131.08560	43.4
133.06503	11.2
133.08627	13.3
133.10103	30.7
135.08089	18.7
135.11681	17.7
137.05994	90.2
137.09589	20.5
138.06332	71.9
143.08572	14.6
145.10100	22.0
147.08041	18.3
147.11690	24.2
149.05959	9.6
149.09602	22.4
149.13239	7.9
151.07556	12.7
151.11098	14.8
157.10187	16.8
159.08070	15.6
159.11659	21.2
162.18741	7.4
162.27863	7.6
163.07558	14.7
163.11201	18.8
165.09116	12.2
165.12801	43.4
166.13118	34.7
169.10071	10.3
171.11664	14.8
173.13293	18.8
174.13820	8.1
175.11148	9.6
177.09161	10.7
177.12810	20.6
183.11853	8.2
189.12708	8.9
191.14258	9.7
192.14572	11.7
195.12282	16.0
205.15929	8.9
215.14360	11.4
217.06999	8.3
233.15376	25.0
243.17448	17.1
261.03268	10.7
261.18375	21.9
262.22375	8.9
271.16943	23.5
275.20056	32.7
289.18011	59.7
289.21454	17.9
290.22046	59.4
307.09534	16.4
307.18860	17.5
307.24649	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	307.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84336	1.2
53.03945	7.4
55.01872	10.7
55.05516	23.8
56.96553	2.9
57.03440	18.3
57.07081	9.9
58.08252	1.1
59.04997	1.5
60.36317	1.2
65.03941	2.9
67.05507	37.7
69.03445	8.2
69.06715	2.3
69.07072	38.0
70.06612	1.1
71.04991	8.7
71.08625	2.9
77.03931	1.3
79.05051	1.9
79.05494	27.4
81.02975	2.0
81.03426	37.2
81.07061	60.7
83.04997	8.4
83.08628	16.4
84.08083	1.3
85.02894	4.1
85.06548	14.9
85.10202	1.7
87.04440	1.9
91.05483	32.6
91.56025	1.4
93.06454	2.7
93.07050	56.0
95.04979	42.5
95.08612	54.5
97.02859	1.4
97.06547	12.6
97.10175	9.0
97.29421	1.1
98.97585	3.3
99.04430	3.0
99.08072	2.6
101.05984	2.0
103.05476	3.2
105.04533	1.6
105.06370	2.2
105.07031	27.5
107.04959	100.0
107.08598	26.9
109.02859	2.9
109.06526	33.2
109.10152	22.9
111.04427	1.8
111.08080	21.0
111.11719	3.2
113.06007	14.6
115.05444	1.8
117.06996	8.3
119.04961	2.1
119.08577	20.5
121.02927	1.6
121.06511	33.6
121.10147	22.2
123.04451	3.3
123.08086	14.2
123.11710	19.5
125.06028	2.0
125.09652	6.0
125.13257	1.8
127.03924	2.3
127.07550	2.6
128.06175	1.8
129.06985	7.7
130.07703	1.8
131.04903	2.3
131.08572	11.3
133.06514	8.5
133.10117	13.2
135.04362	1.9
135.08046	13.8
135.11714	13.0
137.05980	2.1
137.09619	6.7
137.13252	7.7
139.07564	1.2
139.11156	4.7
141.06970	1.3
141.09175	1.7
143.00148	2.5
143.08559	5.3
145.06477	4.6
145.10115	12.8
147.08038	8.4
147.11687	11.1
149.04782	1.2
149.05977	5.6
149.09647	7.4
149.13260	12.0
151.07530	5.8
151.11172	6.1
151.14868	1.3
153.09079	4.0
153.12680	3.0
155.08592	2.9
156.09267	1.6
157.10132	7.8
159.08060	10.9
159.11723	10.1
161.09616	4.4
161.13269	4.7
163.03912	5.1
163.07555	2.9
163.11169	5.9
163.14897	3.0
165.09116	36.6
165.12759	4.6
167.10722	2.6
167.14316	2.9
169.10179	1.3
169.12344	1.4
171.08189	1.5
171.11691	6.5
173.09645	5.6
173.13229	3.2
175.11206	12.9
175.14897	2.1
177.09149	1.9
177.12659	3.2
179.10669	2.9
179.14240	1.2
181.05000	3.5
181.12180	2.2
185.13123	1.3
187.11176	1.5
187.14864	2.7
189.11171	1.6
189.12743	5.8
189.16426	2.2
191.04103	1.3
191.10745	6.6
191.14261	1.5
191.17963	2.4
196.61020	1.4
197.13214	3.0
199.11208	7.7
201.16394	1.9
203.17964	3.2
205.12184	2.1
209.19063	2.4
215.14273	3.4
215.17963	3.3
217.12251	13.5
218.07251	1.5
219.08055	3.2
219.13733	2.5
221.05984	2.4
225.16438	1.6
229.73222	1.2
233.15344	12.3
235.07507	1.3
235.13303	48.8
243.17413	3.6
245.22667	1.6
247.07547	2.1
249.05667	1.4
251.10822	1.5
253.15811	1.9
259.09671	1.4
261.18503	2.6
263.16519	1.4
264.07825	2.6
264.19766	1.4
267.03806	1.7
271.16928	7.8
271.24158	3.5
278.10196	1.9
279.10300	2.3
285.04977	1.9
289.11478	1.6
289.18015	31.2
289.25156	10.6
290.10266	1.5
292.07291	3.2
307.09760	9.1
307.15265	4.3
307.18997	17.4
307.26324	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03954	15.9
55.01875	11.8
55.05520	28.0
56.96558	3.3
57.03441	17.7
57.07067	3.2
64.26160	2.2
64.38831	1.9
65.03924	4.3
67.05505	37.1
69.03425	6.3
69.07067	17.1
70.90737	4.9
71.04996	4.6
73.40085	2.0
78.34006	2.2
79.05495	40.2
81.03415	10.3
81.07060	38.6
83.04989	10.5
83.08624	11.8
85.06540	2.7
91.05481	67.1
91.12624	2.1
92.32758	2.1
92.39646	2.1
93.07050	100.0
95.04970	30.6
95.08031	3.0
95.08610	36.7
97.02911	2.6
97.06522	6.0
97.10159	10.4
99.08088	3.8
103.05482	14.2
105.04548	3.6
105.07039	31.8
107.04948	21.4
107.08614	21.7
109.06532	13.0
109.10155	14.6
111.04453	4.5
111.08081	6.9
117.07040	15.5
119.08581	20.0
121.02875	25.1
121.06511	86.9
121.10152	17.8
123.04388	3.4
123.08067	8.2
125.09612	9.9
129.06987	7.1
131.04900	3.2
131.08566	22.5
133.06514	13.7
133.10150	14.2
135.08058	17.8
135.11647	3.8
137.05975	4.4
137.09665	11.7
137.13342	2.5
139.07553	4.3
143.08554	6.5
145.06410	2.7
145.10143	10.7
147.08061	10.7
147.11635	3.6
149.05920	6.2
149.09650	16.4
151.07552	6.2
151.11206	4.3
153.09132	3.0
155.08560	5.4
156.86469	2.7
159.08054	9.6
159.11729	5.3
161.09634	7.5
163.07559	27.4
165.09084	4.7
167.10719	5.9
171.11656	4.3
173.09630	9.7
173.11754	2.3
173.13206	2.3
175.11165	4.2
177.09099	6.6
179.10603	2.1
181.08698	3.1
183.11720	3.8
189.11197	4.5
189.12801	3.2
191.10719	6.7
193.12193	2.6
199.11032	2.4
203.36037	2.2
215.14407	2.6
233.15381	7.6
243.17473	4.7
253.15913	3.2
261.18607	11.1
271.16986	15.4
289.18002	63.3
307.15482	2.4
307.18915	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.07491	4.1
53.03936	9.6
55.01863	16.8
55.05516	58.1
56.96572	24.4
57.03442	38.5
57.07061	5.8
67.05510	47.2
69.03419	7.4
69.07068	19.1
69.90000	19.8
71.80816	3.4
73.88737	3.5
79.05495	51.3
81.03408	12.3
81.07073	44.3
83.04964	11.2
83.08624	19.2
85.02880	5.9
91.05476	44.7
93.07047	38.0
95.04986	20.7
95.08607	28.6
97.06542	5.9
97.10183	35.2
97.87639	3.6
98.97578	20.3
103.05453	4.9
105.07038	30.0
107.04974	34.5
107.08607	29.3
109.06544	33.2
109.10190	22.9
110.97515	4.8
111.08074	7.3
115.05433	6.6
116.98611	9.1
117.07003	18.1
119.08592	31.0
121.02876	8.7
121.06504	20.2
121.10132	13.2
123.08041	8.4
123.11652	3.8
125.09631	27.8
128.06209	8.0
129.07008	12.3
131.04858	5.9
131.08577	13.1
133.06490	8.9
133.10114	16.3
134.99664	4.0
135.08080	23.2
137.05992	12.5
137.09615	9.7
142.27426	3.7
143.08539	11.9
145.06538	8.6
145.10135	12.9
147.08054	9.4
147.11740	4.9
149.05972	13.4
149.09636	8.3
151.07552	9.0
153.09053	8.1
155.08568	5.2
157.10159	8.1
158.99681	5.5
159.08061	45.2
159.11610	7.0
160.08824	4.0
161.01231	4.8
161.09651	8.5
161.13232	4.5
162.07751	3.9
162.65027	3.7
163.07542	14.0
163.11156	3.9
165.09134	10.0
165.12668	5.0
169.10193	4.9
171.08072	11.4
171.11652	6.9
173.09583	4.9
173.13290	6.2
175.11252	7.9
177.09218	6.7
183.11612	4.3
187.14848	8.1
188.08342	7.2
189.11241	11.7
189.12744	4.8
197.13309	4.6
203.10641	14.2
215.14334	10.6
219.01735	8.6
220.71027	4.2
233.15366	15.9
235.13422	6.2
237.02824	7.8
238.41772	3.5
243.17461	7.2
245.79791	3.9
253.15901	9.8
261.18579	11.7
271.16943	31.9
289.17984	100.0
307.09698	5.9
307.18597	29.1
308.00720	3.9
327.15964	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03947	3.0
55.01887	11.6
55.05516	36.2
56.96566	2.5
57.03425	6.4
57.07069	6.9
65.03918	3.7
66.90494	2.0
67.05509	74.3
69.03421	4.7
69.06782	2.1
69.07076	31.6
69.27168	20.2
71.04993	5.8
71.22675	2.1
79.05062	2.8
79.05498	51.2
81.03410	7.3
81.07062	100.0
82.07359	2.2
83.04996	11.9
83.08623	18.1
85.05276	2.4
85.06529	5.8
91.05491	45.4
93.06473	2.4
93.07054	48.8
95.04973	31.6
95.08612	49.4
96.08932	2.6
97.06544	16.3
97.10152	6.5
98.06050	16.8
98.20749	3.8
99.06384	3.2
99.08081	4.3
102.87002	2.0
103.05472	2.6
105.07027	53.5
107.04967	11.0
107.08594	34.1
109.06540	18.0
109.10158	26.2
111.08067	6.3
117.07034	14.0
119.08585	45.8
121.02856	3.4
121.06514	9.3
121.10147	23.0
123.08083	15.9
123.11698	10.3
125.09635	6.5
129.06999	4.4
131.04918	2.4
131.08583	26.1
133.06471	2.2
133.10126	35.5
135.08099	11.4
135.11720	12.1
137.05943	6.5
137.09663	11.7
138.06343	3.5
141.07031	4.2
142.07710	2.3
143.08533	5.9
145.10120	18.6
147.08104	2.4
147.11690	23.5
149.09583	16.9
149.13278	6.6
151.11168	13.3
153.09062	2.4
155.08467	3.8
157.10139	6.3
159.11697	13.8
161.09628	4.1
161.13252	7.9
163.11211	11.0
163.14789	4.0
165.12752	7.6
169.08914	2.2
169.10199	2.7
171.11699	3.2
171.99277	2.4
173.13287	9.3
175.11177	5.1
176.84872	2.1
177.12784	4.3
179.14305	2.9
183.11572	2.7
187.14806	2.7
189.12720	2.2
197.13393	2.2
201.12773	2.8
205.15936	2.5
207.13789	2.1
229.19550	4.9
233.15410	3.2
233.19086	2.8
239.17963	6.5
247.20630	12.4
251.16426	2.5
257.18933	10.0
263.20154	2.7
275.20081	91.5
279.23209	2.1
289.18497	2.7
289.21640	11.7
307.22827	45.1
307.28235	97.1
311.31973	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	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
53.17789	1.9
55.01874	11.6
55.05518	37.5
56.96559	4.6
57.03425	6.6
57.07069	3.2
59.05001	2.5
65.03931	3.2
67.05510	39.7
69.03426	4.4
69.07064	19.5
71.04992	3.8
71.59868	2.4
74.76965	1.9
79.05496	57.3
81.03409	4.3
81.07059	46.6
81.63803	2.0
83.04975	6.8
83.08614	17.3
85.06511	2.7
91.05486	35.1
93.07057	37.3
95.04958	9.1
95.08612	26.6
97.06545	12.9
97.09635	1.8
97.10185	26.7
99.08092	3.6
101.67347	2.4
105.07037	40.2
107.04993	12.7
107.08600	100.0
109.06527	10.4
109.10155	18.4
111.08072	5.9
117.07053	11.1
119.08582	22.6
121.02852	2.6
121.06497	7.8
121.10186	15.4
123.08089	6.1
123.11671	4.4
125.09635	29.5
129.06963	2.1
131.08588	14.3
133.06505	2.8
133.10149	18.3
135.08092	13.4
135.11687	7.2
137.05997	9.7
137.09616	2.7
138.06329	7.0
140.37068	2.5
143.08583	2.4
145.10136	13.8
147.08067	2.8
147.11705	12.8
149.05965	6.1
149.09662	18.3
151.11205	3.6
152.24136	2.3
153.09125	4.7
157.10152	3.0
157.12259	3.4
159.07948	2.0
159.11685	9.4
159.83356	2.1
161.13268	5.5
163.11179	6.1
165.09113	3.3
165.12682	2.6
171.11685	5.2
173.13278	5.5
177.08882	2.1
177.12625	3.0
183.11659	3.5
187.11105	3.1
197.13123	2.4
203.12805	19.0
203.14511	3.1
219.17372	3.7
229.19455	2.5
231.23665	2.5
233.15570	2.1
239.17944	5.9
247.20534	4.0
257.18991	11.5
261.02979	3.4
271.17096	4.6
275.20056	60.3
289.17999	8.5
289.21582	8.5
307.18927	5.3
307.22641	14.9
307.26300	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01662	1.8
55.01879	20.1
55.05518	37.4
57.03426	4.8
57.07071	3.6
57.41512	2.3
63.95531	2.1
65.03944	3.7
67.05173	3.0
67.05511	43.2
68.60213	2.5
69.03410	2.9
69.07070	21.6
71.04992	6.3
71.61372	4.0
79.05502	52.9
81.03403	4.8
81.06565	3.0
81.07064	50.4
83.04972	9.1
83.08627	15.3
85.06533	4.8
91.05484	38.0
91.15559	2.4
93.07053	38.6
95.04971	12.6
95.08612	32.9
97.06554	24.3
97.10173	19.3
105.07043	41.1
105.39940	2.2
107.04958	11.9
107.08602	68.6
109.06528	15.0
109.10155	16.6
111.04433	2.9
111.08076	5.5
117.07027	13.6
119.08588	27.1
121.06528	5.2
121.10168	18.5
123.08069	8.6
123.11727	4.8
125.09635	21.9
129.06969	5.8
131.08604	15.3
133.06432	2.5
133.10150	26.0
135.08113	11.7
135.11690	10.4
137.06003	4.9
137.09615	5.7
141.07095	2.5
145.10092	14.8
147.11719	18.0
149.09653	25.3
149.13263	3.9
151.11197	9.1
153.09065	2.8
157.10152	5.0
159.11731	11.9
161.13251	4.8
163.11194	7.0
165.09103	2.5
165.12724	6.3
169.10117	4.1
171.11737	4.5
173.13272	6.6
175.11200	2.4
181.12219	2.7
183.11664	3.1
187.11198	3.0
187.14836	3.6
197.13240	4.0
201.12750	2.6
203.12709	12.0
215.17886	3.2
219.17453	4.3
229.19524	4.2
237.90567	2.5
239.17990	6.7
247.20549	6.4
257.18988	15.0
275.20096	100.0
289.18396	2.7
289.21591	10.2
307.22665	28.0
307.28146	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	2.0
55.01882	7.4
55.05512	17.0
56.17145	1.3
57.03431	4.9
57.07066	5.1
59.04981	1.6
67.05509	22.8
69.03419	1.6
69.07072	14.4
69.30058	2.1
69.30397	11.8
71.04993	2.5
71.08643	7.9
77.03950	1.1
79.05497	19.0
81.07063	33.3
83.04977	3.4
83.08644	6.4
85.06537	3.5
91.05483	15.8
93.07050	23.2
95.04977	23.8
95.08611	21.2
95.09162	0.8
97.06532	9.0
97.10197	5.9
99.08115	6.8
105.07034	20.4
107.04961	3.4
107.08600	19.7
108.05784	1.3
109.05774	2.1
109.06525	43.9
109.10174	8.3
111.08064	3.6
117.07002	5.4
119.08585	16.2
121.06540	7.6
121.10156	10.5
123.08076	4.2
123.11715	3.0
125.09618	3.8
129.07034	1.8
131.08586	10.0
133.10121	10.8
135.08035	8.5
135.11690	4.6
137.05925	1.5
137.09601	4.5
139.11198	2.0
141.09117	1.3
143.08592	2.1
145.10139	8.4
147.11699	7.2
149.09650	7.4
149.13289	2.5
151.11166	4.0
155.08609	1.1
157.10149	2.0
159.11710	5.2
159.93739	1.3
161.09601	1.8
161.13231	4.5
163.11267	6.5
163.14786	2.2
165.12764	100.0
169.10146	1.3
171.11501	1.3
173.13225	5.0
175.11201	1.6
175.14828	1.3
177.12717	5.4
179.14369	2.7
183.11708	1.8
185.13248	2.8
189.12729	1.4
191.14317	4.4
193.12134	1.7
197.13275	1.5
201.12791	2.7
201.16428	1.5
203.12700	1.7
203.14391	2.4
219.17451	7.6
229.19489	2.5
233.15317	1.7
235.16953	1.5
239.17938	2.6
247.20598	3.2
251.16425	8.1
257.18979	5.2
261.22192	8.9
271.20575	3.4
275.20068	29.5
289.21622	27.8
307.22684	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.38405	2.8
53.03938	7.6
53.81750	2.3
55.01859	10.4
55.05511	32.6
57.03440	12.9
57.07062	4.6
59.04988	2.8
65.03921	4.4
67.05508	67.9
69.03424	5.5
69.07070	36.6
70.69729	2.4
70.71401	6.1
70.71730	3.5
71.04987	6.5
79.05499	53.7
81.03413	7.2
81.07059	90.3
83.04975	12.0
83.08638	15.3
85.06535	5.5
86.73463	2.6
91.05480	54.3
93.07048	50.9
95.04977	42.7
95.08607	50.4
97.06541	16.2
97.10158	9.3
98.06059	7.0
99.08121	3.3
105.06371	3.9
105.07037	52.5
107.04955	10.0
107.08601	35.8
109.06532	20.6
109.10173	26.9
111.08071	7.3
115.05458	2.5
117.07022	18.8
119.08595	47.2
119.34560	3.2
121.06475	7.4
121.10156	24.8
122.61359	3.1
123.08069	21.8
123.11690	9.9
124.47259	2.5
125.09657	4.2
129.06923	4.1
131.08592	19.8
133.06454	3.6
133.10133	36.5
135.08080	15.3
135.11697	11.7
137.05991	3.5
137.09634	14.5
141.07008	2.8
143.08582	3.2
145.10115	19.3
147.11708	20.3
149.09644	16.1
149.13280	4.6
151.11163	9.3
157.10121	7.8
159.11655	19.5
161.09631	3.8
161.13281	6.6
163.11186	10.2
165.12724	5.9
169.10117	2.6
171.11638	4.0
173.13258	12.5
177.12741	9.5
179.14268	2.6
183.11659	5.4
185.13260	3.0
187.11174	3.4
187.14879	3.4
191.14279	3.9
201.12685	4.2
205.19493	2.6
207.13728	3.0
219.13918	4.1
219.17485	8.5
229.19467	9.2
235.16902	4.7
239.17973	5.4
247.20609	13.4
251.16467	5.3
257.18918	13.6
275.20065	100.0
289.18314	2.9
289.21542	13.5
294.33868	3.0
307.22736	74.1
307.28210	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.9
55.01874	19.1
55.05264	3.0
55.05514	52.8
57.07068	9.3
59.04974	4.0
62.58243	3.0
65.03936	4.6
67.05507	99.2
69.07066	31.0
71.04986	6.0
71.08672	3.2
71.30133	6.8
79.05493	60.3
81.03411	29.1
81.07057	94.1
83.04987	19.3
83.08618	23.9
85.06538	11.7
91.05482	57.0
93.07050	54.9
95.04980	28.3
95.08617	60.1
97.06531	8.7
97.10186	14.3
98.98499	3.0
105.07038	59.6
107.04947	9.4
107.08592	37.2
109.06530	11.3
109.10151	37.6
111.08065	8.0
111.11588	3.2
117.06985	16.9
119.08583	48.6
121.06488	9.7
121.10130	26.7
123.04416	5.3
123.07325	3.5
123.08072	22.5
123.11737	10.3
125.09652	17.4
129.06960	4.7
131.08574	30.4
133.06477	5.2
133.10144	54.6
135.08049	12.2
135.11720	16.2
137.05966	3.6
137.09616	34.1
139.11198	4.9
145.10144	21.2
147.08093	3.4
147.11697	27.1
149.09628	24.8
149.13261	4.8
151.11157	14.6
155.08560	3.6
157.10193	4.1
159.11688	17.9
161.09610	3.3
161.13254	12.2
163.11174	13.4
163.14835	7.3
165.09119	9.6
165.12813	6.2
169.10167	7.3
173.09541	3.0
173.13289	17.4
175.11206	7.0
175.14784	6.0
177.12762	9.1
183.11690	6.1
183.13686	3.5
191.10661	4.5
197.13275	4.5
229.19473	7.1
239.18007	8.3
247.20497	15.3
257.19009	12.0
275.20065	100.0
289.21878	3.5
289.25226	3.6
307.19913	3.9
307.22675	30.8
307.26282	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	3.0
55.01859	3.1
55.05256	1.3
55.05511	18.3
56.96564	1.3
57.03422	4.0
57.07063	2.5
59.04982	4.5
65.03920	2.0
67.05165	2.0
67.05505	27.5
69.03403	2.5
69.06766	1.2
69.07071	13.2
69.92089	2.6
69.92477	1.7
71.04990	12.2
73.06569	2.5
79.05049	1.7
79.05491	26.5
81.03400	2.1
81.07060	29.2
83.04967	3.8
83.08627	6.9
85.02914	1.3
85.06519	3.5
87.04475	1.6
87.08112	1.4
91.05480	38.8
93.07050	36.6
94.04195	1.9
95.04968	8.0
95.08603	23.9
97.06532	10.0
97.10157	4.7
99.08079	3.1
103.05434	2.8
105.07032	43.9
107.04961	3.5
107.08594	21.7
108.05731	1.4
109.06521	22.6
109.10165	11.6
110.07313	1.3
111.04443	1.4
111.08083	3.1
113.05975	1.1
115.05437	1.6
115.82028	0.9
117.07024	11.9
119.08587	35.5
121.02857	4.6
121.06493	9.5
121.10146	13.4
123.04366	1.2
123.08058	16.0
123.11705	3.7
125.09605	4.4
129.07002	2.3
130.07722	1.2
131.08571	15.7
133.06526	2.2
133.10133	23.9
135.08046	9.0
135.11685	6.5
136.08797	1.8
137.09612	11.2
137.13190	1.1
139.11188	1.6
143.08554	3.7
145.06465	1.3
145.10103	10.3
147.08018	1.7
147.11694	17.6
149.05981	1.1
149.09641	7.8
149.13252	2.6
151.07523	2.8
151.11174	18.0
151.55760	1.0
153.09109	1.2
155.08469	2.7
157.06482	1.1
157.10106	4.0
159.08006	2.4
159.11702	9.1
161.09537	1.9
161.13260	5.3
163.07591	2.4
163.11174	12.0
165.12720	7.7
169.10081	3.2
171.11638	2.5
173.09579	1.9
173.11932	1.0
173.13210	5.7
175.11185	2.7
175.14835	2.4
177.12753	2.8
179.14313	2.1
183.11691	2.8
185.13235	1.8
187.14836	2.9
189.12744	1.8
191.14244	2.7
193.12303	1.5
197.13298	2.3
199.14818	1.6
213.05481	2.9
213.16377	1.2
219.13852	2.5
225.16600	1.0
227.17874	1.3
229.19510	6.8
233.15479	2.5
239.18022	10.3
243.17674	1.4
247.20566	4.1
257.18994	10.4
261.18439	1.7
265.17938	1.7
271.17081	2.1
275.20059	48.8
277.21707	1.3
283.71536	1.0
289.17972	9.2
289.21332	1.7
307.09821	5.2
307.19000	13.5
307.22638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.40797	0.8
53.03946	2.7
55.01869	2.7
55.05520	7.0
57.07072	3.8
58.88572	0.8
64.14351	0.9
67.05511	15.5
69.03436	2.7
69.06713	1.8
69.07072	28.8
70.38488	3.5
71.04980	2.6
79.05498	11.5
81.03447	1.0
81.07062	100.0
83.08632	5.9
85.06551	3.1
91.05489	9.6
93.07051	41.5
95.04982	3.6
95.08609	18.5
97.06536	8.6
97.10185	2.6
101.06047	1.1
105.07041	10.3
107.08599	35.2
109.06522	9.7
109.10165	29.9
111.08089	29.6
111.11713	6.2
119.08595	3.1
121.10166	6.1
123.08080	2.5
123.10806	1.0
123.11718	20.0
125.09659	1.5
125.56349	0.8
131.08574	1.9
133.10138	22.9
135.11710	6.6
137.09569	1.4
137.13287	5.7
139.11194	12.3
144.60670	1.0
145.10124	1.1
147.11658	2.8
149.13281	2.4
151.11192	51.5
153.12752	7.2
159.11642	1.5
161.13280	1.4
163.11192	1.7
163.14888	1.4
165.12782	1.2
169.12271	5.5
173.13315	1.1
175.14783	1.2
177.16438	1.1
215.18068	0.9
236.05779	0.8
266.46210	0.9
289.25259	3.4
307.26309	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	308.0912
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.01871	0.4
55.05486	0.8
56.05032	2.3
56.96550	1.2
57.03441	0.5
57.98792	0.7
58.99588	18.5
61.02907	0.4
62.54026	0.4
69.03432	1.3
70.06599	2.8
71.01363	0.6
71.58904	0.5
72.08152	1.3
73.01131	0.7
73.02960	0.4
76.02230	100.0
76.03992	3.5
80.05022	1.7
81.07074	0.5
82.06578	1.2
83.04990	0.5
83.06091	0.8
84.04507	43.3
84.08155	1.8
85.02475	0.4
85.02908	2.5
86.09698	0.5
86.99052	4.5
88.02216	1.8
90.66421	0.3
97.02921	0.9
98.97585	1.5
100.07619	4.2
102.05560	0.8
107.04898	0.4
110.06041	1.5
110.07202	0.4
111.14053	0.4
114.03779	1.1
116.01683	22.9
116.07111	0.4
124.02148	0.5
127.03941	0.6
128.07083	3.4
129.06656	0.6
130.05009	11.6
130.06544	0.7
130.08647	0.5
131.06895	0.5
135.04405	0.6
137.05995	0.6
141.04837	0.8
142.03224	11.1
142.04256	0.7
144.01152	11.2
145.02904	0.5
145.06137	0.4
146.06041	1.6
146.08127	9.1
151.11131	0.4
158.06064	1.0
158.99760	0.6
160.07660	0.4
162.02208	37.2
163.02614	0.6
163.03934	3.0
170.02672	2.9
179.04858	41.6
187.05417	2.0
189.00729	0.4
199.05350	0.5
205.06331	0.5
209.55873	0.4
215.04871	2.1
216.03288	0.8
219.01851	0.4
227.05017	0.5
233.05923	14.9
245.05997	3.2
262.08887	0.4
270.97879	0.4
272.07205	0.5
273.05566	0.4
290.07944	0.5
290.10785	0.5
291.06473	2.6
308.08960	5.6
318.13620	0.4
334.53812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56614	0.5
56.96561	1.4
58.99591	0.5
65.03918	1.4
69.03427	0.4
70.06585	2.2
71.05013	0.5
71.58975	0.4
71.59377	0.5
72.08165	2.9
74.06071	0.8
76.02222	1.9
81.03410	0.9
81.07053	0.6
84.04504	1.7
84.08141	2.0
85.02906	0.5
86.09698	0.8
91.05476	1.2
92.05009	4.1
93.07062	0.6
96.54386	0.5
97.02898	0.7
98.97596	0.9
100.69997	0.5
103.05438	0.5
107.04939	1.0
109.02893	0.6
110.06046	1.0
112.11244	1.2
115.08720	2.2
116.98614	0.8
117.03391	1.0
118.05276	1.8
119.04959	0.7
119.05148	0.9
119.06077	12.6
119.87222	0.5
120.04449	2.2
120.08107	5.8
122.06035	0.5
123.04449	0.6
129.10225	0.8
129.13918	0.5
130.06555	1.0
131.06874	0.7
132.04430	1.0
135.04407	1.7
137.05988	3.2
143.00131	0.6
143.08154	1.3
144.04506	0.5
145.02882	1.5
146.06030	1.8
147.04405	1.8
147.05502	9.1
151.07513	0.8
155.55377	0.6
158.06009	1.0
158.07988	1.3
159.06610	1.5
162.02266	0.5
163.03912	10.0
165.06610	100.0
166.07158	0.8
166.08655	2.2
170.06007	0.5
179.03401	1.0
179.04874	0.7
180.03754	0.7
184.07544	0.9
189.07278	0.5
192.10228	0.7
198.69455	0.5
201.29446	0.5
220.09705	1.0
221.04395	0.7
234.11356	0.7
235.08731	1.2
237.12355	0.5
245.09860	0.5
246.10245	0.9
246.13086	0.9
247.11160	1.0
262.09308	0.7
263.06842	0.4
264.11328	31.3
291.16995	0.9
299.56271	0.5
308.12589	1.7
308.16742	1.0
308.19836	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	308.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05507	9.7
56.05039	2.8
56.96556	1.1
57.03440	3.0
57.98809	0.9
58.99591	20.9
60.27285	0.6
61.02901	1.6
67.04271	0.6
69.03433	5.8
70.06596	19.9
70.29748	2.4
71.01370	3.3
71.04987	1.8
72.08163	1.0
73.02916	1.1
76.02230	100.0
76.03985	3.4
80.05026	1.6
81.03416	1.2
82.06585	15.6
83.06105	0.8
84.04508	47.4
84.08147	10.7
84.25777	0.7
85.02911	11.5
86.99065	5.7
87.04516	0.7
88.02199	1.4
97.02895	3.3
98.97588	1.1
99.04439	0.8
100.07622	49.0
101.02324	0.8
102.05521	0.9
107.04966	0.8
110.06046	22.9
114.03761	1.5
115.03883	0.8
116.01683	25.0
127.03903	2.4
128.07083	30.7
130.05009	13.6
130.06502	0.8
130.08653	3.1
141.04852	1.1
142.03233	12.2
144.01144	9.9
145.05023	0.8
146.08127	97.7
155.10240	0.7
158.06021	0.8
162.02202	42.4
163.03894	3.2
170.02707	4.2
179.04861	43.4
187.05365	2.0
205.06477	1.2
215.04813	1.2
216.03368	1.1
220.09822	0.7
233.03751	1.1
233.05920	13.4
235.93048	0.7
245.05894	2.5
259.19592	0.7
291.06421	2.6
308.09146	4.3
308.13315	2.0
308.19724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71054	0.4
52.74033	0.4
53.19695	0.4
55.05519	1.0
56.96564	0.7
57.07077	0.5
61.89428	0.4
67.05503	1.3
69.33894	4.1
70.06602	5.2
72.08149	1.0
79.05493	1.1
81.03423	0.5
81.07030	1.6
91.05498	1.7
93.07095	0.8
95.04961	0.5
95.08607	0.9
97.06516	0.6
103.25040	0.4
105.07036	1.7
107.04982	0.5
107.08681	0.5
117.07038	1.0
119.08578	0.8
120.08086	1.5
121.10159	0.5
128.06250	0.5
129.07022	0.8
131.08578	4.7
133.10172	0.6
134.09656	1.7
141.06992	1.7
143.08565	1.3
144.09358	0.6
145.10188	2.0
148.11220	0.4
153.06963	1.2
154.07785	1.3
155.08598	1.4
157.10126	0.8
163.04005	0.6
167.08618	0.9
168.09325	1.2
169.10155	6.7
171.11754	0.8
173.13301	2.8
174.13481	0.4
181.10164	3.6
182.10947	0.6
183.11778	0.7
195.11771	2.3
196.12524	0.6
197.13281	4.8
202.96988	0.4
211.13475	0.8
212.14183	0.7
222.12787	0.4
224.14360	1.1
235.13536	0.5
236.14371	4.2
250.15952	3.8
252.17548	1.5
264.17419	2.1
266.19293	0.6
278.19101	2.8
279.19739	3.1
306.22147	0.6
308.23752	100.0
309.24091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01856	1.6
55.05511	9.7
56.96547	1.5
57.03432	1.5
57.07059	1.2
59.04991	0.7
67.05161	0.8
67.05507	11.4
68.51585	0.6
69.03414	2.2
69.07066	8.4
69.89937	1.9
71.04983	1.7
71.74760	0.5
73.06544	0.7
74.07951	0.6
79.05495	11.7
81.03410	0.9
81.07059	12.7
83.04962	2.0
83.08623	6.4
85.02910	0.8
85.06533	1.2
85.42014	0.4
91.05476	6.9
93.07047	13.6
95.04964	3.6
95.08610	17.1
97.06535	3.4
97.10165	4.0
98.97606	0.9
99.04444	0.8
99.50165	0.5
105.07037	4.4
107.04947	0.9
107.08593	6.8
109.06519	1.2
109.10164	5.4
111.08092	3.4
111.11794	0.6
113.06029	1.0
117.06997	1.0
119.04919	0.7
119.08581	4.4
121.06538	0.8
121.10138	6.0
123.04478	0.7
123.08067	1.7
123.11719	3.1
125.09618	2.8
129.06958	1.6
131.08559	1.4
133.10126	3.0
135.08040	0.9
135.11702	1.8
137.09616	2.6
139.07538	0.5
139.11166	1.1
143.08647	0.6
145.10101	1.2
147.04419	3.7
147.08002	0.8
147.11671	1.6
149.13292	3.6
153.09164	0.6
157.10138	1.0
159.11742	1.0
161.09616	1.0
161.13257	1.0
162.47597	0.5
163.11154	0.6
167.14326	1.6
171.11784	0.7
175.14783	0.6
185.13168	0.6
187.14827	0.6
189.11282	1.3
193.12224	0.6
211.99669	0.5
217.15817	0.7
222.07268	0.7
235.16969	0.6
245.18974	0.7
249.08919	0.6
273.18448	1.8
277.08673	1.5
291.19379	3.0
309.16724	100.0
310.17194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68695	0.5
52.89070	0.5
53.03959	3.0
55.01867	2.3
55.05516	9.9
56.96561	1.5
57.03447	3.8
57.07064	1.0
59.03674	0.6
59.04991	0.6
61.43797	0.5
65.03945	0.9
67.05505	11.7
68.57761	0.5
69.03423	2.2
69.07066	5.8
70.42744	2.1
71.05005	1.6
72.08167	0.6
79.05043	1.0
79.05493	15.3
79.58942	0.5
81.03410	3.5
81.07061	14.0
83.04974	2.6
83.08619	4.8
84.96026	0.5
85.02917	0.8
85.06552	2.8
91.05479	10.6
93.07053	18.1
95.04983	5.9
95.08613	11.2
97.06532	3.2
97.10167	6.3
98.53510	0.5
98.97578	0.9
99.08095	2.0
103.05478	0.6
105.07027	7.7
107.04974	2.8
107.08595	6.2
109.02900	1.0
109.06544	3.4
109.10181	5.0
111.04487	0.8
111.08071	1.7
113.06013	4.9
113.47404	0.5
117.07020	2.4
119.04932	1.1
119.08585	5.7
121.06501	1.8
121.10158	6.3
123.04414	0.6
123.08087	4.4
123.11745	1.6
124.05112	0.5
125.09644	4.6
129.07013	1.1
131.08588	3.6
132.64911	0.5
133.06534	0.5
133.10138	4.3
135.08075	1.9
135.11708	2.8
137.09625	1.8
141.06989	0.8
143.08574	1.9
145.06509	0.8
145.10172	2.7
147.04427	2.3
147.08075	1.0
147.11710	2.1
149.09627	1.1
149.13266	1.0
151.11226	0.7
153.09074	1.3
157.10185	1.7
159.08121	0.7
159.11708	2.0
161.09685	1.1
161.13252	0.6
163.11168	1.0
165.09123	0.6
167.10738	0.6
169.10161	0.6
171.11697	1.0
173.13246	0.8
175.11172	0.8
177.05518	0.6
177.12738	1.0
183.11632	0.7
187.11150	1.1
189.11227	1.9
189.16502	0.9
195.13817	0.9
199.14854	1.3
217.15904	2.0
245.19046	0.7
255.17477	0.7
263.20197	0.8
265.27975	0.5
273.18454	3.9
277.08658	0.7
286.10425	0.6
291.19559	10.3
309.16751	100.0
310.17203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.01875	9.7
55.05509	18.5
56.96549	2.8
57.03180	1.6
57.03439	21.4
57.07057	1.6
59.04976	1.5
65.03925	3.1
66.62812	1.3
67.05505	41.0
69.03412	3.7
69.07076	7.5
69.33772	9.9
70.06573	1.3
71.01357	7.6
71.04970	5.2
72.08138	1.4
73.02900	1.2
79.05050	2.3
79.05492	36.8
81.03416	30.4
81.07059	29.7
83.04980	7.8
83.08625	8.0
85.02911	6.8
85.06503	1.7
91.04951	1.8
91.05479	27.8
93.07049	24.1
95.04971	100.0
95.08607	11.2
97.02886	3.1
97.06520	4.5
97.10170	7.3
98.97589	6.5
99.04449	2.1
99.08070	1.7
100.35596	1.1
103.03951	6.9
103.05461	3.5
104.82414	1.2
105.04492	1.4
105.06362	1.5
105.07029	18.9
107.04386	1.5
107.04967	15.3
107.08592	21.4
109.02884	15.5
109.06509	9.5
109.10153	6.5
111.04421	3.9
111.08065	4.9
115.05430	1.7
116.98619	2.4
117.07023	13.3
119.04958	11.3
119.08588	18.4
121.06515	10.0
121.10163	8.4
123.04433	69.0
123.08041	4.1
123.11681	2.2
125.05943	1.4
125.09611	6.7
127.03891	1.7
128.06186	2.6
129.07013	11.0
130.07712	1.5
131.04881	3.6
131.08580	9.5
133.06479	3.5
133.10101	6.6
135.04419	1.3
135.08102	5.7
135.11682	11.3
137.05981	5.8
137.09628	2.4
139.03870	2.6
143.08575	5.7
145.06462	3.4
145.10120	21.7
147.04414	30.4
147.08051	8.0
147.11656	7.8
149.02417	2.4
149.05951	2.9
149.09570	4.8
151.07481	1.8
153.09073	5.3
155.08475	2.8
156.09361	1.4
157.06506	2.1
157.10107	2.3
158.99623	3.4
159.11624	2.4
161.06055	1.3
161.09641	2.3
161.13231	3.4
163.03918	2.1
163.07556	1.3
163.11176	23.8
165.05534	1.7
165.09061	1.7
165.12709	3.9
171.08028	1.2
171.10323	2.1
171.11664	10.5
173.09610	11.7
175.03874	1.9
175.11191	1.7
177.00635	2.7
177.05458	3.2
182.15375	2.3
189.11261	1.9
189.12764	14.9
191.10651	7.0
193.12190	2.9
196.15225	1.2
199.11169	3.8
203.08711	1.4
205.12390	1.6
206.07257	2.3
207.06404	2.7
207.13806	18.8
217.12250	15.0
219.01707	2.5
221.05930	2.0
221.09561	2.4
235.07486	1.8
235.13301	65.6
245.15276	2.3
249.09131	3.3
251.07001	2.7
253.14513	1.1
263.16443	1.7
277.08545	4.0
281.08060	2.0
281.11624	3.9
291.08612	2.3
309.07498	9.2
309.11066	6.4
309.16864	71.2
313.20813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03949	2.6
55.01881	5.8
55.05513	19.3
57.03441	1.3
57.07082	1.6
58.50108	1.0
59.04988	1.8
65.03942	1.8
65.67428	0.9
66.42498	0.9
67.05160	1.6
67.05508	27.7
69.03439	2.2
69.07080	7.3
70.04083	1.3
71.04991	1.6
71.10545	2.1
79.05499	44.4
81.03393	2.2
81.07065	15.6
83.04981	3.1
83.08626	9.4
85.06557	2.0
91.05489	18.0
93.07056	18.6
95.04969	7.3
95.08624	9.1
97.06538	2.2
97.10184	12.1
105.07050	9.1
107.04961	100.0
107.08603	19.3
109.06525	1.8
109.10166	18.7
111.08077	1.7
117.07020	9.4
119.04910	1.0
119.08591	21.7
121.06489	1.6
121.10152	4.8
123.08112	2.2
125.09636	8.7
128.06210	1.3
129.07010	3.4
131.08572	7.3
133.06516	2.7
133.10133	3.4
135.08063	44.5
135.11685	2.6
137.09630	8.6
143.08591	3.6
145.10136	8.1
147.08044	8.0
149.09654	4.7
155.10724	5.4
157.10133	3.4
159.08055	1.8
159.11691	3.1
161.09627	3.2
163.11223	2.1
165.09134	4.0
171.10199	1.0
171.11618	1.1
173.09511	1.3
173.11748	14.8
175.11185	1.9
177.09019	1.2
181.12184	1.0
183.10164	1.0
185.13275	1.5
189.11223	3.6
189.12770	1.6
206.61896	0.9
227.17944	1.1
237.16371	1.2
245.19133	1.3
255.17619	1.2
263.20020	1.7
273.18494	17.9
291.19562	22.2
309.20609	2.1
326.76221	0.9
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
51.25090	1.4
53.03949	12.0
54.39877	1.5
55.01876	9.1
55.05259	3.0
55.05513	42.1
55.15721	1.3
56.96569	2.2
57.03438	19.7
57.07061	2.4
65.03935	3.6
67.05167	3.0
67.05507	46.8
67.65057	1.4
69.03419	6.4
69.07069	14.7
69.75988	8.9
71.05000	11.0
79.05495	82.5
81.03422	13.0
81.07061	51.8
83.04985	7.2
83.08620	16.8
85.06557	8.0
90.53204	1.8
91.05484	39.5
93.07050	100.0
95.04978	22.3
95.08614	33.7
97.06551	13.6
97.10167	29.5
99.04411	2.2
99.08072	2.6
103.05476	1.9
105.04513	1.7
105.07034	27.2
107.04956	8.4
107.08594	23.7
107.14272	1.6
109.06525	19.6
109.10166	13.5
111.04411	2.8
111.08064	5.7
113.06018	15.8
117.07047	10.6
119.04898	3.3
119.08593	21.9
121.06478	6.6
121.10148	29.9
123.04394	2.5
123.08070	16.8
123.11717	3.5
125.09639	26.7
127.07497	2.3
129.07018	5.1
131.08574	14.5
133.06499	2.0
133.10152	13.2
135.08089	10.8
135.11697	7.3
135.57034	1.5
137.09607	10.3
141.06984	2.9
143.08557	5.8
145.06482	4.2
145.10110	8.0
147.08040	4.2
147.11635	4.8
149.09665	7.6
149.13191	2.5
151.11176	3.1
153.09113	3.7
157.10130	4.1
159.11696	6.3
161.09610	3.5
161.13171	2.7
163.11232	2.3
165.09073	4.0
169.10091	2.1
171.11664	5.2
173.11815	1.9
173.13300	3.3
177.12685	3.0
187.11188	3.8
189.11206	16.7
189.12714	2.4
189.16487	1.9
193.12402	1.6
195.13841	2.2
199.14900	2.3
201.12682	3.0
203.14323	2.3
205.12151	2.0
217.15892	5.7
219.13771	3.0
221.15231	3.0
223.13240	4.4
227.17998	2.5
235.16855	3.3
249.14734	1.7
255.17290	3.1
263.19849	2.0
273.18512	18.2
291.19568	34.2
309.20584	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	7.9
54.53710	2.0
55.01873	14.1
55.05260	4.0
55.05512	57.1
57.03440	15.1
59.05014	3.2
62.59427	2.0
65.03938	3.6
67.05162	3.9
67.05502	54.6
67.97935	2.3
69.03410	5.7
69.07069	29.5
70.70918	4.5
71.04977	6.9
77.03954	1.9
79.05490	49.2
81.03415	20.0
81.07059	100.0
83.04988	17.5
83.08616	29.6
85.02893	2.8
85.06538	5.3
91.05479	31.1
93.07041	57.3
93.24255	2.0
95.04975	19.8
95.08610	34.3
97.06527	10.6
97.10168	43.2
99.08094	5.6
100.50097	2.0
105.07036	26.6
107.04948	9.3
107.08593	33.0
109.06499	13.9
109.10145	20.3
111.04447	13.4
111.08120	13.3
113.05994	3.6
117.06977	9.9
119.08584	19.4
121.06508	8.6
121.10146	20.6
123.04438	2.4
123.08080	40.5
125.05969	4.2
125.09641	38.2
129.06976	6.3
131.08566	14.0
133.06413	2.4
133.10123	15.0
135.08051	8.0
135.11716	11.2
137.09639	13.3
139.11096	2.3
143.08539	5.6
144.09341	2.2
145.10121	13.6
147.08035	8.2
147.11699	8.2
149.09659	8.1
151.11237	4.0
153.09166	6.7
153.12766	5.8
157.10129	9.3
159.11700	5.3
159.23514	2.3
161.09642	5.3
163.11180	29.4
165.09152	10.7
171.10167	5.9
171.11678	4.6
173.09595	2.7
173.13203	3.0
175.11150	5.7
177.12778	4.8
181.12242	9.6
187.11177	3.2
189.11208	29.5
189.12708	3.8
191.10680	7.2
193.12222	12.7
199.14749	2.2
211.13327	6.9
217.15921	4.1
219.13780	2.7
223.13275	6.1
227.12834	5.0
237.18553	2.9
245.19115	3.1
249.14854	2.5
255.17554	3.4
273.18463	27.9
291.19547	77.6
305.57611	2.1
309.20575	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.01872	33.5
55.05509	12.1
56.34730	0.9
57.03435	1.7
64.38541	0.9
65.03938	1.6
66.73344	0.8
67.05505	27.9
69.03409	2.1
69.07069	9.7
69.92255	4.6
71.04981	1.6
79.05486	9.9
81.03419	6.6
81.06623	1.3
81.07058	13.3
83.04982	29.9
83.08630	4.5
83.48972	0.9
85.06523	1.3
85.33729	0.8
91.05484	10.2
93.03470	0.8
93.07044	13.2
95.01590	0.9
95.04973	12.6
95.08611	9.6
95.57294	1.0
97.06532	22.2
97.10181	4.4
98.21407	1.2
99.04456	17.8
99.08086	1.1
105.07037	6.7
107.04974	8.5
107.08595	7.7
109.06509	4.0
109.10162	12.8
111.04443	100.0
111.08045	2.1
113.06012	0.9
117.07009	2.5
119.08585	6.4
121.06495	2.6
121.10131	4.7
121.22463	0.9
123.04445	1.0
123.08098	4.8
125.09644	4.8
128.06319	0.8
129.07030	2.0
131.08551	3.1
132.25594	0.8
133.06430	1.9
133.10138	5.7
135.08044	4.4
137.05981	1.9
137.09639	12.2
139.11200	1.7
143.08586	2.2
145.10106	1.4
147.08086	1.3
147.11678	2.2
149.09653	5.2
151.11168	1.2
153.09109	19.0
155.10616	2.2
157.10118	2.4
159.11681	1.2
161.09616	6.8
163.11200	2.0
173.09685	0.9
173.11732	3.2
175.11154	4.0
177.12758	1.6
179.10655	3.2
189.11211	1.3
189.12735	1.7
193.12210	3.2
195.13881	1.1
195.95154	0.9
205.12080	1.0
221.11552	1.5
231.13725	1.7
245.19012	2.1
249.14865	2.3
255.17352	1.3
263.20047	6.8
267.15839	3.9
273.18549	9.6
291.16473	1.6
291.19559	27.3
305.06955	0.8
309.20569	17.3
325.75769	0.9
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	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03958	8.9
55.01856	11.7
55.05512	51.8
57.03439	40.4
58.39790	4.2
67.05508	46.1
69.03422	5.3
69.07075	19.1
71.04994	4.9
71.19679	8.3
79.05500	58.0
81.03419	5.5
81.07066	83.7
83.04974	7.1
83.08604	25.9
85.06557	8.0
91.05482	40.9
93.07063	39.5
95.04963	15.8
95.08614	30.2
97.06547	9.0
97.10177	22.6
99.08118	6.0
105.07031	39.5
107.04958	34.5
107.08616	30.0
109.06536	30.9
109.10172	18.2
111.08073	4.6
116.06197	4.0
117.07043	24.7
117.53065	4.1
119.04944	4.5
119.08579	52.3
121.06510	15.4
121.10159	12.7
123.08076	14.0
125.09663	24.0
127.02886	3.8
129.07016	14.0
131.08603	20.5
133.10138	12.2
135.08066	15.8
135.11708	7.1
137.09599	9.3
143.08568	6.1
145.10121	28.6
147.08067	32.6
147.11745	5.7
149.09637	7.8
153.09148	5.5
157.10106	6.8
159.08098	4.6
159.11722	8.4
159.67825	4.1
161.09598	7.2
163.11214	5.7
169.10184	4.3
171.10213	5.7
171.11655	6.3
173.13245	4.5
182.15451	6.1
189.11194	18.7
189.12735	6.0
199.14951	8.7
201.12759	5.8
210.14983	7.1
217.16010	7.5
219.13799	17.8
234.54831	5.6
237.14882	4.9
245.18861	4.5
249.14937	9.5
250.11501	4.6
255.17484	7.8
273.18506	55.6
291.19540	100.0
309.20441	8.7
313.52307	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.30934	1.7
53.03967	2.3
55.01873	6.1
55.05507	6.6
57.03180	2.8
57.03443	35.1
59.56615	1.6
63.74412	2.0
65.03954	2.4
67.05509	27.6
69.03427	2.8
69.07065	6.2
69.77954	8.7
71.04993	3.5
79.05498	13.2
81.07061	14.5
83.04997	2.2
83.08606	3.0
85.06560	33.2
91.05499	13.9
91.88138	1.7
93.07051	13.1
95.04980	40.1
95.08603	9.1
97.06526	2.7
105.07041	6.2
107.04976	3.7
107.08625	8.7
109.06533	38.1
109.10175	2.6
113.06023	100.0
117.07032	6.3
119.08582	8.0
121.10174	6.0
123.08094	2.9
129.07001	2.6
131.08586	11.6
133.10176	5.2
135.08060	32.7
135.11699	4.2
143.08598	3.3
145.10132	5.7
147.11749	3.0
149.09595	2.4
157.10164	4.5
159.11845	3.6
161.09685	4.0
175.11197	3.1
177.12798	3.2
183.11685	3.0
195.13771	2.3
217.15929	13.8
245.18927	2.9
250.08748	1.9
255.17471	1.9
273.18500	15.5
273.21021	2.7
291.19574	44.0
309.20715	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	2.2
55.01879	5.5
55.05263	1.5
55.05516	26.7
55.09394	0.9
56.96547	1.3
57.03423	1.2
59.04999	1.5
60.41828	0.8
67.05508	14.9
69.03419	3.0
69.07073	11.3
69.34319	6.9
71.04988	1.2
79.05498	15.7
80.17516	0.8
81.03397	2.2
81.06629	1.4
81.07063	16.7
83.04971	3.7
83.08627	14.8
85.06538	1.5
88.99047	1.0
91.05496	8.4
93.06539	1.3
93.07057	12.7
93.94516	1.0
95.04977	4.2
95.08620	10.4
96.39558	0.9
97.06522	2.0
97.10175	20.1
98.21549	1.7
99.50664	0.9
100.47234	0.9
105.07035	7.7
107.04939	3.7
107.08604	11.3
109.02884	1.2
109.06528	1.8
109.10121	4.3
110.84032	0.9
111.04427	2.7
111.08068	2.2
117.07007	4.2
119.08607	6.7
121.06493	2.8
121.10162	6.1
123.08078	8.8
123.11705	1.4
125.09644	16.3
129.06970	1.9
131.08540	3.9
133.06496	2.0
133.10104	3.9
135.08035	2.6
135.11664	1.7
137.09607	2.8
139.11136	0.9
143.08553	2.0
145.06451	1.1
145.10103	3.7
147.08060	3.4
147.11684	3.0
151.11124	0.9
153.09108	0.9
157.10138	1.4
159.11691	1.6
161.09679	2.2
163.11089	2.3
165.09091	2.6
171.11751	1.3
175.11110	1.3
187.11157	1.0
189.11269	8.4
221.11757	1.2
223.13254	2.1
231.71973	0.9
239.81976	0.8
245.18874	1.7
255.17496	1.4
263.20108	1.8
272.95630	1.0
273.18500	11.7
291.19559	100.0
292.19800	2.3
309.20648	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	5.7
55.01872	22.3
55.05516	34.9
57.03433	6.2
67.05166	4.7
67.05508	81.0
69.03416	6.1
69.07070	34.3
69.57702	16.0
71.04981	11.7
79.05497	49.6
81.03419	8.2
81.07059	89.3
83.04985	23.1
83.08611	10.3
85.02911	3.0
85.06522	5.2
91.05487	59.3
93.07054	55.1
95.04974	14.0
95.08609	39.3
97.06530	10.3
97.10136	3.5
98.20652	6.0
99.04459	6.5
99.08114	4.4
99.08852	2.4
105.07034	55.4
107.04948	10.3
107.08605	60.7
109.06519	15.6
109.10163	91.3
111.04430	6.3
111.08074	11.8
113.06011	3.1
117.07012	8.5
119.08587	22.1
121.06522	16.6
121.10148	12.4
123.08066	11.1
123.11737	13.2
125.09608	4.6
127.07574	3.7
128.06197	3.6
129.06996	4.9
131.08598	13.4
133.06476	8.0
133.10138	100.0
135.04333	2.9
135.08049	10.9
135.11705	8.8
137.05978	3.8
137.09631	5.2
139.07538	11.3
143.08578	10.0
145.10138	9.3
147.08109	12.9
147.11717	5.9
149.09593	9.2
151.11198	57.3
159.08043	3.8
159.11699	5.5
161.09627	9.3
161.13219	3.2
163.11176	4.3
165.09059	3.7
169.12242	12.7
171.11707	3.6
175.11201	5.6
179.10756	5.0
181.08629	4.1
189.12787	3.6
203.14336	4.1
207.13872	4.0
215.12737	5.0
245.18996	17.1
255.17433	7.3
263.20078	13.9
273.18527	39.3
291.19568	62.7
309.20667	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03955	7.3
55.01872	9.9
55.05514	56.8
56.96563	1.5
57.03430	5.3
57.07089	1.6
59.04996	2.1
65.03940	2.4
67.05510	45.8
67.05866	2.5
69.03435	11.3
69.07069	19.4
70.93748	2.3
70.94070	1.4
71.04988	5.9
79.05497	43.6
80.05801	1.4
81.03426	13.5
81.07064	71.0
82.07433	1.5
83.04982	11.1
83.08132	2.1
83.08627	34.5
85.02940	1.7
85.06543	5.3
91.05487	24.9
93.07052	52.5
95.04972	31.3
95.05544	2.3
95.08611	44.9
97.06552	8.3
97.10175	44.1
97.10771	1.1
99.04479	2.4
99.08102	5.9
103.03942	1.3
105.04557	1.9
105.07027	27.0
107.04968	6.7
107.08595	27.2
109.02888	2.1
109.06509	7.8
109.10159	16.4
111.04448	10.4
111.08076	6.9
113.06013	5.2
117.07014	9.6
119.08595	18.8
121.06513	5.9
121.10138	13.2
123.04445	1.7
123.08077	86.7
123.11711	9.9
125.05986	1.7
125.09638	36.0
129.07014	6.2
131.08557	9.1
133.06534	2.3
133.10143	10.6
135.08049	7.3
135.11647	8.7
137.09631	8.7
139.11104	2.6
143.08604	6.1
143.10693	1.4
145.10123	11.5
147.08084	9.3
147.11707	6.0
149.09651	7.0
149.13330	2.0
151.11145	3.1
153.09087	4.9
153.12787	3.0
155.08670	2.3
157.10182	5.8
159.11681	3.5
161.09650	6.0
163.11192	14.8
165.09137	11.1
169.12274	7.0
171.10310	2.4
171.11723	3.6
173.13303	1.5
175.11234	6.1
181.10277	1.6
181.12326	3.5
187.11485	2.0
187.13333	6.2
189.11235	26.3
189.12857	2.2
191.10762	4.1
193.12239	7.3
203.14259	1.6
211.13274	6.7
212.93712	1.7
217.15816	2.0
223.13379	4.8
227.12759	2.4
227.18007	3.4
233.15396	1.6
245.19054	4.4
246.71376	1.4
249.18571	1.9
255.17537	6.2
263.20184	2.4
273.18524	35.9
291.19550	57.5
309.16809	100.0
309.20657	18.6
330.01859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.77642	2.8
52.14932	2.6
53.03937	8.7
55.01880	16.7
55.05514	28.5
56.96555	10.0
57.03175	4.3
57.03438	56.6
57.07063	3.2
63.40408	2.8
65.03935	4.1
67.05506	62.7
69.03425	8.9
69.07079	26.1
69.64836	17.9
69.67639	2.5
70.72191	2.5
71.04998	15.7
75.82150	3.2
79.05497	61.6
81.03410	9.8
81.07063	100.0
83.04976	13.2
83.08645	14.9
85.02911	4.4
85.06522	11.0
91.05475	50.3
93.07053	62.3
95.04973	20.5
95.08610	52.1
97.06545	34.0
97.10173	10.4
98.20775	3.4
99.04475	4.6
99.08086	37.8
105.07034	44.3
107.04958	14.6
107.07945	3.8
107.08609	39.1
109.06525	21.9
109.10161	22.2
111.04440	10.2
111.08089	8.9
113.05993	9.4
117.07003	27.2
119.04941	3.6
119.08581	37.4
121.06507	10.2
121.10135	24.1
123.08046	12.5
123.11726	6.2
123.16614	2.7
125.06047	4.2
125.09670	5.3
127.07571	14.0
129.07001	17.3
131.08607	26.1
132.03102	2.9
133.06500	6.9
133.10147	29.2
135.08072	20.1
135.11699	11.9
137.09612	11.9
141.06982	3.9
143.08565	12.1
145.10133	32.2
147.04457	9.2
147.08081	9.3
147.11697	14.5
149.09610	13.6
149.13258	8.1
151.11185	6.8
153.09111	4.6
157.10120	16.7
159.11705	18.6
161.09650	11.0
161.13235	5.9
163.11192	11.3
169.10176	5.5
171.03334	3.6
171.11655	9.7
173.13275	12.2
175.11203	8.3
179.10693	4.6
183.11694	7.0
185.13232	3.8
187.11154	3.0
189.04378	9.0
189.12773	3.3
190.95490	5.5
191.14305	6.6
195.13844	4.2
199.14822	8.8
201.12834	8.2
209.13239	3.5
213.08020	5.8
217.15862	16.9
219.13719	18.0
219.81393	3.2
221.15404	4.6
222.07236	3.2
223.13396	5.8
231.09081	7.1
235.16991	10.8
237.14597	3.2
243.60103	3.0
245.19025	8.3
254.94771	4.3
255.17447	7.5
263.20078	8.7
273.18539	34.6
291.19525	62.6
309.11029	3.7
309.17175	4.9
309.20593	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.52119	1.5
53.03961	3.0
55.01859	5.6
55.05301	1.5
55.05514	20.8
65.03930	2.4
67.05508	29.5
69.03405	1.6
69.07064	7.9
71.04987	2.9
79.05057	2.4
79.05501	45.6
80.30621	1.6
81.03432	3.0
81.07057	24.7
83.04984	3.2
83.08624	8.8
85.06490	1.6
91.05491	18.7
93.07051	21.6
95.04974	7.2
95.08617	11.9
97.06508	1.4
97.10181	13.5
98.20723	4.2
105.07036	8.9
107.04960	100.0
107.08594	19.2
109.06517	3.8
109.10170	22.9
111.08063	3.3
115.05475	2.3
117.07021	8.4
119.08597	19.6
121.10180	10.0
121.10890	1.5
123.08070	2.0
125.09624	8.1
129.07011	2.9
129.90933	1.6
131.08580	6.9
133.10106	4.7
135.08060	47.5
135.11711	3.4
137.05986	18.3
137.09618	8.6
138.06313	14.9
143.08543	2.7
145.10109	9.4
147.08014	8.1
147.11632	1.8
149.09621	3.4
155.10661	5.5
157.10101	3.0
159.08141	2.3
159.11765	2.7
161.09598	3.9
165.09116	4.9
173.11746	15.8
183.10214	2.0
189.11214	2.9
237.16620	1.8
259.69745	1.7
263.20078	1.6
273.18497	17.8
291.19556	25.8
309.24158	3.8
334.41119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03958	5.6
53.56495	2.6
55.01880	5.8
55.05513	24.7
57.03430	10.3
57.07071	5.0
61.04107	2.4
65.03938	4.8
67.05505	42.0
69.03447	2.9
69.07067	25.5
69.61443	20.8
71.05001	5.4
79.05502	40.3
81.03397	4.4
81.07059	61.9
82.07398	3.7
83.04997	6.6
83.08619	12.3
85.06564	2.8
91.05486	51.3
93.07046	77.5
93.07613	5.0
95.04972	51.6
95.08603	45.4
97.06526	20.2
97.10168	4.4
97.21457	3.1
98.20714	4.2
99.08087	3.5
103.05502	3.2
105.07037	86.2
107.08601	41.2
109.06504	13.6
109.10166	28.5
115.05439	3.1
116.06218	3.6
117.07040	21.2
119.08588	70.2
121.06503	9.7
121.10155	100.0
121.11025	6.3
123.04466	4.5
123.08066	10.8
123.11706	9.3
128.06244	11.4
129.07004	18.0
130.07764	8.6
131.08577	37.5
133.06537	4.9
133.07620	3.4
133.10141	44.4
135.08049	5.1
135.11729	18.9
137.09648	3.6
139.11093	2.8
141.06992	9.0
142.07764	18.9
143.08559	30.3
144.09367	6.7
145.10124	49.7
145.11261	3.4
147.11716	11.4
149.09628	4.3
149.13170	2.8
153.07002	3.6
154.07768	4.5
155.08499	15.6
156.09372	12.5
157.10126	36.7
158.10912	3.2
159.08063	3.2
159.11697	39.7
161.09637	10.5
161.13303	7.9
167.08574	6.5
169.10114	19.1
170.10837	5.8
171.11688	23.3
173.09686	4.0
173.13274	23.5
175.14851	8.9
179.08549	4.3
180.09372	4.4
181.10095	6.1
183.11700	18.8
185.13263	16.1
187.11192	11.0
187.14799	23.4
189.12791	6.2
193.10175	8.0
193.12268	12.0
194.10944	3.0
195.11676	12.9
197.13257	11.7
199.14825	7.5
201.12682	5.7
201.16391	5.4
205.10149	4.3
207.11676	7.1
209.13231	11.5
210.13991	3.9
211.11229	4.0
211.14851	11.0
213.12720	4.0
213.16365	3.0
215.14301	5.1
220.12567	3.0
221.13315	7.0
222.13972	2.9
223.14919	7.5
225.16249	6.0
227.14314	2.8
235.14937	5.5
239.14395	3.4
239.18039	3.4
249.16525	4.1
253.15828	4.0
253.19615	5.1
265.19598	3.2
281.22641	5.6
291.20966	12.1
309.21948	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
54.04555	2.4
55.01873	8.7
55.05508	21.3
57.03438	6.8
57.07068	2.5
64.33682	2.4
65.03945	2.6
67.05504	32.5
69.06759	2.0
69.07078	16.5
70.83334	7.8
71.04984	3.7
71.08627	3.6
79.05495	32.0
81.03406	4.4
81.07063	45.8
83.04969	4.6
83.08614	8.7
85.06573	2.5
91.05486	44.2
93.07050	70.7
95.04978	54.5
95.08607	36.7
97.06535	17.3
97.10175	2.8
103.05475	3.8
105.04488	2.8
105.07040	80.8
107.04990	3.6
107.08596	38.0
109.06527	9.2
109.10166	26.2
115.05458	5.6
117.07007	17.2
119.08588	60.1
120.09309	2.3
121.06535	11.9
121.10150	100.0
121.11024	5.4
123.08066	12.0
123.11715	7.6
128.06250	4.8
129.07018	11.4
130.07819	6.1
131.08572	32.9
133.06563	2.5
133.10143	44.0
135.08051	5.4
135.11720	11.0
138.04382	2.4
141.06981	9.6
142.07846	13.1
143.08589	28.5
144.09306	6.3
145.06493	3.1
145.10123	49.5
147.08057	5.1
147.11703	12.5
151.11282	3.9
153.06969	3.6
154.07785	3.4
155.08582	10.7
156.09328	11.1
157.10127	35.6
158.10886	4.3
159.08080	3.3
159.11705	36.3
161.06047	3.4
161.09644	11.1
161.13292	6.9
169.10156	16.4
170.10927	4.9
171.11717	20.2
173.13278	18.9
174.08525	2.8
175.14838	10.8
179.08522	3.8
181.10132	6.8
182.10956	4.0
183.11763	13.4
184.12468	4.1
185.09549	3.5
185.13252	11.2
187.11191	8.4
187.14807	17.9
193.10092	5.0
194.10966	3.7
195.11662	7.4
197.13264	11.1
199.14890	9.4
201.12798	3.7
207.11742	3.7
209.13286	10.1
211.14830	7.9
213.16437	5.3
221.13309	7.1
225.16409	3.6
235.14888	5.8
237.16376	3.1
239.14406	3.5
239.18042	3.8
249.16324	3.1
253.15816	3.9
265.19595	5.7
277.21478	6.5
281.22577	6.1
291.21198	6.5
309.22098	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	4.3
55.01862	2.1
55.05516	21.2
57.03439	9.4
57.07077	3.2
64.10973	2.1
67.05508	48.1
69.07072	16.9
69.91953	8.5
71.08636	47.1
78.52715	1.9
79.05495	42.5
81.03422	7.1
81.07061	54.2
83.04988	11.8
83.08619	11.6
85.06540	3.2
87.38648	1.9
87.78268	2.0
89.89898	2.2
91.05487	26.3
93.07049	64.3
95.04972	10.4
95.08614	48.6
97.06513	10.8
97.10175	2.4
98.20826	3.8
99.08101	41.1
103.11890	1.9
105.07046	18.3
105.83975	2.1
107.04980	6.6
107.08605	35.7
109.06506	4.5
109.10152	14.1
111.08032	2.5
113.09621	3.0
117.07056	6.0
119.08575	16.6
121.10151	32.2
123.08088	4.1
123.11697	2.6
131.08539	3.8
133.10144	10.9
135.11690	38.4
137.09631	4.7
139.11163	2.1
141.09100	3.1
143.08626	4.1
145.10124	5.3
147.11691	5.6
149.09589	2.4
149.13237	10.6
151.11171	18.2
159.11662	4.2
161.13260	9.8
163.11176	6.3
167.10646	3.3
173.13345	2.7
175.14883	2.7
177.12721	3.6
179.14314	100.0
185.13377	2.1
187.14848	3.8
189.12740	3.3
195.13780	3.6
221.15404	3.3
221.19167	2.3
235.16817	3.4
241.19766	3.7
259.20609	6.4
277.21628	54.5
309.24432	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	31.3
57.03436	12.4
57.07086	6.5
65.91718	4.5
67.05507	69.2
69.07072	28.4
71.05009	5.1
71.08636	61.3
79.05498	56.3
81.03421	9.7
81.07060	77.0
83.04987	13.9
83.08620	13.2
85.85615	4.5
87.80686	4.1
91.05486	33.0
93.07056	79.0
95.04967	12.9
95.08609	52.5
97.06531	15.5
97.10158	10.7
99.08096	49.7
105.07042	23.0
107.04977	10.3
107.08592	34.8
109.06519	5.6
109.10166	25.5
111.08095	4.2
117.07000	6.6
119.08588	20.1
121.10153	43.2
123.04414	4.6
123.11723	4.9
125.09602	7.7
131.08554	7.8
131.39757	4.5
133.10146	17.3
135.11707	48.3
137.09590	6.3
143.08588	4.7
144.55775	4.1
145.10110	7.8
147.11673	9.9
149.13264	15.5
151.11201	27.8
159.11720	5.8
161.13301	15.4
163.11217	11.6
163.14893	4.7
167.10725	8.3
171.11668	7.6
179.14326	100.0
187.14868	5.4
189.12775	8.0
203.12805	5.5
229.12738	5.7
235.17030	5.8
259.20605	7.1
277.21616	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
53.53887	3.1
55.01870	12.3
55.05515	42.3
56.96552	4.3
57.03432	9.8
57.07074	14.7
59.05004	4.0
67.05510	75.6
69.03438	4.2
69.07072	38.6
70.20306	10.2
71.05003	4.1
71.08651	17.5
79.05503	54.2
81.03432	9.9
81.07065	78.0
83.05007	20.6
83.08631	23.1
85.06535	8.1
91.05486	37.0
93.06474	3.5
93.07058	60.5
95.04979	39.9
95.08628	59.1
97.06544	18.1
97.10197	7.4
99.08092	14.4
105.07036	32.1
107.04984	7.7
107.08597	32.6
109.02875	3.9
109.06493	11.4
109.10162	28.4
111.04465	5.2
111.08088	10.9
113.05894	3.4
117.07040	11.5
119.08607	20.8
121.10160	28.2
123.04499	17.3
123.08069	8.1
123.11696	9.6
125.09615	6.5
127.07610	3.8
129.07008	6.6
131.08557	11.6
133.10104	25.1
135.11693	19.9
137.09654	9.6
137.13219	4.9
139.07533	4.2
139.11177	13.4
143.08592	6.0
145.10115	12.0
147.08083	4.8
147.11633	16.9
149.09615	6.0
149.13277	11.6
151.11212	11.3
153.12723	4.7
157.10153	8.9
159.11743	6.1
161.09651	3.8
161.13281	14.0
163.11203	13.2
165.12759	10.3
167.14403	3.6
171.11711	9.7
173.13234	6.8
175.11192	5.5
175.14847	5.3
179.14371	4.7
185.13234	5.9
188.33279	3.5
189.12811	5.6
193.12198	6.0
207.13774	6.8
221.15367	4.4
231.21104	8.6
235.13309	13.3
241.19473	9.1
249.22302	4.2
259.20624	10.7
267.64658	6.4
277.21646	100.0
291.23169	7.0
309.13281	4.8
309.17142	9.2
309.21146	5.8
309.24408	30.2
322.08212	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.31105	1.8
53.03945	7.2
55.01869	9.1
55.05514	39.6
56.96567	4.3
57.03447	10.2
57.07083	14.4
58.24528	1.8
59.05006	4.5
62.22813	1.8
63.80626	1.8
65.03941	3.3
67.05511	76.3
69.03426	6.2
69.06714	2.4
69.07076	41.8
71.05002	9.2
71.08640	22.0
71.59998	1.9
73.06522	2.5
79.05500	58.2
81.03436	11.2
81.07062	82.1
83.04991	14.8
83.08617	25.5
85.06538	7.4
85.10172	3.8
91.05485	39.1
93.07053	75.0
95.04975	38.1
95.08615	55.0
97.06544	17.1
97.10184	16.3
99.08091	23.2
102.28227	2.0
105.07039	34.2
107.04953	5.9
107.07944	3.3
107.08599	38.2
109.02925	1.8
109.06544	9.0
109.10152	25.1
111.04414	2.6
111.07425	2.0
111.08090	11.1
111.11706	3.2
117.07016	7.4
119.08578	27.1
121.06528	4.6
121.10165	25.9
123.04404	7.3
123.08062	8.2
123.11720	9.2
125.09626	9.3
127.11182	3.0
129.07043	8.7
131.00220	2.2
131.08540	11.3
133.10144	26.6
135.08095	4.6
135.11705	21.4
137.09627	7.6
137.13243	3.9
138.52959	4.9
139.07568	3.3
139.11176	10.5
143.08582	6.6
145.10121	13.0
147.08070	3.2
147.11694	22.2
149.09619	4.0
149.13269	11.2
151.11191	13.2
151.14781	2.4
153.12711	6.0
155.10686	2.0
157.10162	9.1
157.53764	3.0
159.11713	7.5
161.09627	4.0
161.13281	15.7
163.11180	11.2
163.14821	3.9
165.12740	10.1
167.14339	2.0
171.11703	7.5
173.13243	4.7
175.11220	7.7
175.14781	6.6
177.12758	4.2
179.14294	8.7
185.13290	6.6
189.12793	4.2
193.12270	7.2
193.15862	3.6
199.14781	2.3
207.13800	6.7
215.17999	3.1
217.19510	3.0
221.15344	4.2
231.17569	2.0
231.21124	6.6
235.13324	7.1
241.19513	7.3
249.22198	6.1
259.20581	13.4
267.64597	2.3
273.18396	2.0
277.21655	100.0
291.19766	4.8
291.23193	6.2
295.22708	5.2
309.16873	3.0
309.24243	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2528
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03931	1.1
55.05513	3.9
56.05027	0.7
57.07069	1.2
64.88303	0.5
65.03904	0.6
67.05506	5.6
67.90189	0.5
68.79383	0.6
69.07063	3.1
70.04488	2.6
70.06587	4.8
79.05500	9.3
80.05009	1.6
81.03396	0.7
81.07063	6.7
83.07361	1.6
83.08607	1.2
84.08154	0.6
91.05477	7.5
93.07042	7.9
94.06569	1.2
95.04964	1.0
95.08598	2.9
96.08122	3.7
96.80141	0.6
97.10202	1.5
97.90620	0.6
105.07040	7.7
107.08572	4.3
108.08115	1.8
109.08881	0.7
109.10133	2.0
117.07012	3.5
118.06546	0.7
119.08572	7.2
120.08109	1.1
121.10151	1.3
122.09665	5.6
125.09676	0.7
128.06187	1.1
129.07005	6.9
129.93425	0.5
131.08559	6.2
133.10112	3.0
134.09639	1.2
136.11221	1.3
137.11996	0.6
138.12747	0.6
142.07819	1.1
143.08574	4.3
143.61595	0.5
144.08093	0.6
144.09325	1.3
145.10104	5.5
146.09642	3.4
147.11684	1.4
148.11215	1.2
149.13263	0.9
150.12753	0.9
157.08893	0.9
157.10112	5.1
158.09665	1.4
158.10896	0.9
159.11670	1.0
160.11240	1.7
161.13226	1.3
162.12816	1.4
169.10149	1.0
170.09615	1.2
170.10918	0.8
171.10414	0.8
171.11732	1.8
172.11195	0.9
173.11862	0.9
173.13255	6.2
174.12807	4.7
175.14766	0.8
183.11729	1.3
184.11136	1.2
185.13260	1.7
186.12794	8.1
187.13521	0.6
188.14337	1.9
196.11275	0.6
198.12854	1.5
199.14868	1.2
200.14362	1.3
209.11751	1.3
210.12669	0.7
211.13239	0.6
212.14279	2.6
218.18866	0.6
224.14372	1.5
226.15898	3.7
227.18106	1.1
228.17542	1.9
237.11319	0.8
238.15898	1.9
240.17445	4.8
241.18181	1.3
252.17502	2.8
254.19066	2.0
266.19125	1.5
275.20007	0.8
280.20569	2.7
281.21390	1.2
292.22604	3.4
308.23767	0.8
310.25287	100.0
311.25620	1.0
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	Porphyrin
Peak:m/z	Relative Intensity
51.02384	0.9
52.61373	1.0
53.03927	1.2
55.01865	1.1
55.05505	1.9
55.47856	0.9
56.96549	1.8
57.03436	1.0
59.37578	0.9
61.52618	0.8
67.05484	3.9
69.03410	2.5
69.07053	2.4
69.24018	9.6
69.24355	0.9
79.05501	6.1
81.03401	1.6
81.07054	7.7
82.06594	0.9
83.04966	1.2
84.08086	0.9
85.06540	1.1
89.03915	1.1
91.05497	6.6
93.07023	3.8
94.04186	4.6
95.04929	2.2
95.08627	4.8
97.02832	1.2
97.06522	1.7
98.97565	2.4
100.83520	0.9
103.05438	1.9
105.07040	9.5
107.04979	4.6
107.08575	2.7
109.06547	6.3
109.10134	2.9
115.05476	2.4
116.06190	0.9
117.06982	0.9
119.04955	1.1
119.08578	1.8
120.08101	1.1
121.06490	2.5
121.10136	3.2
122.03664	9.4
123.04394	1.1
123.08093	1.5
123.11649	2.0
125.05917	1.1
126.36893	1.1
128.06184	2.4
129.07043	5.1
129.07843	1.3
131.04945	2.0
131.08571	2.2
133.06483	5.3
133.10141	1.7
135.04349	1.9
137.05986	100.0
144.05672	3.3
145.02811	1.5
145.06509	1.1
146.03622	1.3
147.04340	1.5
147.08012	1.8
149.06001	6.7
149.09607	2.0
151.07553	1.7
155.04921	7.2
155.06026	1.6
156.05698	2.2
159.08070	9.3
161.06015	11.2
163.03929	5.4
163.07552	1.3
165.06963	3.5
167.07043	1.8
171.04500	1.1
172.05125	3.0
175.07512	2.8
177.06964	1.7
179.08504	2.8
180.09341	1.0
181.06458	1.4
187.07558	28.7
189.06961	8.3
189.08913	1.9
190.07777	24.4
191.08565	51.3
193.06512	1.4
195.07985	1.2
201.07007	1.3
202.07767	3.2
203.08525	1.6
205.06480	3.1
207.08109	6.6
208.08899	6.6
217.06544	1.3
218.07254	16.3
219.08064	68.3
220.08849	6.7
221.06044	2.4
221.09483	1.5
223.11221	1.3
225.09041	2.0
229.07733	1.3
231.07860	1.2
233.09590	3.3
235.07573	9.7
236.08325	14.4
237.08960	2.9
238.65202	2.2
246.06752	1.9
247.07553	29.8
248.08243	3.4
249.05334	1.8
250.06197	1.1
250.10008	1.4
251.10693	85.2
252.11122	1.4
253.08653	6.6
261.09039	3.9
262.36853	1.1
263.06976	2.1
264.07794	9.3
265.08490	3.5
267.10239	1.7
267.21365	1.1
268.07315	1.5
268.10861	2.8
277.08710	1.0
278.09317	1.4
279.10181	72.8
280.07974	0.9
280.10648	4.7
281.08051	12.7
283.09070	0.9
283.13257	1.2
295.09601	2.2
296.07236	1.7
296.10416	13.1
311.05365	2.9
311.09589	3.0
311.12701	80.7
312.12866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
52.61373	1.0
53.03927	1.2
55.01865	1.1
55.05505	1.9
55.47856	0.9
56.96549	1.8
57.03436	1.0
59.37578	0.9
61.52618	0.8
67.05484	3.9
69.03410	2.5
69.07053	2.4
69.24018	9.6
69.24355	0.9
79.05501	6.1
81.03401	1.6
81.07054	7.7
82.06594	0.9
83.04966	1.2
84.08086	0.9
85.06540	1.1
89.03915	1.1
91.05497	6.6
93.07023	3.8
94.04186	4.6
95.04929	2.2
95.08627	4.8
97.02832	1.2
97.06522	1.7
98.97565	2.4
100.83520	0.9
103.05438	1.9
105.07040	9.5
107.04979	4.6
107.08575	2.7
109.06547	6.3
109.10134	2.9
115.05476	2.4
116.06190	0.9
117.06982	0.9
119.04955	1.1
119.08578	1.8
120.08101	1.1
121.06490	2.5
121.10136	3.2
122.03664	9.4
123.04394	1.1
123.08093	1.5
123.11649	2.0
125.05917	1.1
126.36893	1.1
128.06184	2.4
129.07043	5.1
129.07843	1.3
131.04945	2.0
131.08571	2.2
133.06483	5.3
133.10141	1.7
135.04349	1.9
137.05986	100.0
144.05672	3.3
145.02811	1.5
145.06509	1.1
146.03622	1.3
147.04340	1.5
147.08012	1.8
149.06001	6.7
149.09607	2.0
151.07553	1.7
155.04921	7.2
155.06026	1.6
156.05698	2.2
159.08070	9.3
161.06015	11.2
163.03929	5.4
163.07552	1.3
165.06963	3.5
167.07043	1.8
171.04500	1.1
172.05125	3.0
175.07512	2.8
177.06964	1.7
179.08504	2.8
180.09341	1.0
181.06458	1.4
187.07558	28.7
189.06961	8.3
189.08913	1.9
190.07777	24.4
191.08565	51.3
193.06512	1.4
195.07985	1.2
201.07007	1.3
202.07767	3.2
203.08525	1.6
205.06480	3.1
207.08109	6.6
208.08899	6.6
217.06544	1.3
218.07254	16.3
219.08064	68.3
220.08849	6.7
221.06044	2.4
221.09483	1.5
223.11221	1.3
225.09041	2.0
229.07733	1.3
231.07860	1.2
233.09590	3.3
235.07573	9.7
236.08325	14.4
237.08960	2.9
238.65202	2.2
246.06752	1.9
247.07553	29.8
248.08243	3.4
249.05334	1.8
250.06197	1.1
250.10008	1.4
251.10693	85.2
252.11122	1.4
253.08653	6.6
261.09039	3.9
262.36853	1.1
263.06976	2.1
264.07794	9.3
265.08490	3.5
267.10239	1.7
267.21365	1.1
268.07315	1.5
268.10861	2.8
277.08710	1.0
278.09317	1.4
279.10181	72.8
280.07974	0.9
280.10648	4.7
281.08051	12.7
283.09070	0.9
283.13257	1.2
295.09601	2.2
296.07236	1.7
296.10416	13.1
311.05365	2.9
311.09589	3.0
311.12701	80.7
312.12866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91077	0.4
55.01860	0.6
55.05500	1.8
56.96565	0.9
57.07075	0.9
57.86407	0.4
67.05501	1.9
69.07056	1.8
70.64082	1.7
79.05486	1.6
81.07067	2.5
81.77736	0.5
83.04959	0.7
91.05474	1.9
93.07039	2.2
95.04964	0.7
95.08613	2.3
97.06531	1.4
98.97550	0.6
105.07015	1.0
107.04965	1.0
107.08598	1.1
109.06512	0.6
109.10153	0.9
114.06404	0.5
119.08572	0.9
120.66787	0.6
121.10152	1.4
123.11684	0.7
131.08568	0.8
135.04520	0.6
137.05986	3.4
145.10106	0.6
147.04462	0.5
149.02222	0.8
149.09615	0.8
157.06427	0.7
159.11720	0.6
161.05905	0.7
187.07549	1.3
190.07672	0.8
191.08588	1.6
199.03876	0.5
213.05476	0.9
215.07014	0.6
219.08104	1.8
237.14967	0.6
247.07578	0.8
251.10687	2.6
267.13855	0.8
271.89429	0.5
279.10101	1.9
293.12170	0.6
311.12582	4.4
311.18307	100.0
312.18649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.05513	4.5
56.96556	1.5
57.03442	0.5
57.07060	0.7
65.03925	0.6
67.05511	3.8
69.03427	1.4
69.07079	3.8
70.06590	1.2
70.98167	1.2
71.08613	0.5
79.05501	3.4
79.06239	0.5
79.95464	0.5
81.03409	1.0
81.07060	3.6
83.04964	1.3
83.08614	2.2
85.02911	0.7
85.06526	0.7
86.09700	1.3
91.05487	2.6
93.07050	3.3
95.04969	1.0
95.08627	3.3
95.09129	0.5
97.06534	3.1
97.10151	0.8
98.97575	0.8
99.97933	0.4
100.07597	0.6
100.11262	6.6
103.92719	0.4
105.07030	3.1
107.04944	1.9
107.08614	2.4
109.02856	0.5
109.06507	1.1
109.10147	1.7
111.04459	1.4
111.08036	0.7
114.09199	0.5
115.05435	0.8
116.98604	0.6
117.07038	1.1
119.08581	2.3
121.06506	1.0
121.10165	2.2
122.03655	0.9
123.04378	0.6
125.09650	0.8
128.07095	0.6
129.07010	1.4
131.04984	0.5
131.08571	1.6
132.61728	0.5
133.10141	1.4
135.08078	0.7
137.05981	4.9
141.06989	0.9
141.11493	1.1
145.10110	0.6
147.04375	0.6
149.02159	0.8
149.05936	1.0
149.09621	1.3
149.13245	0.9
149.78271	0.5
157.06511	1.0
159.08043	0.7
159.11697	0.7
161.02365	0.7
161.06027	1.1
163.11124	0.5
165.07039	0.7
167.07170	0.5
168.13831	1.6
169.06409	0.5
169.10103	0.9
169.14307	0.4
182.15407	2.5
187.07515	1.9
191.08591	1.9
196.13281	1.3
197.11652	0.5
199.18057	1.7
204.66479	1.4
210.14914	1.2
213.05434	1.2
215.06909	0.8
218.07375	0.7
219.07988	2.3
237.14906	1.5
247.07584	1.3
247.16893	0.5
251.10651	3.7
255.14159	0.6
259.16727	0.5
264.07925	0.5
267.13885	0.6
267.96280	0.5
275.16479	0.7
279.10266	2.3
283.06064	0.8
283.09506	0.4
293.21234	0.9
296.10431	0.6
311.12640	7.7
311.18298	100.0
312.18649	1.1
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	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	3.9
55.01873	15.8
55.05516	81.9
56.96554	2.8
57.03429	6.0
57.07077	3.7
57.26599	1.4
65.03914	1.9
67.05168	2.3
67.05509	44.9
69.03130	1.4
69.03442	11.8
69.07069	20.0
70.43992	6.4
71.04964	4.8
71.08286	1.9
71.08641	21.4
76.52212	1.5
79.05500	43.0
81.03030	1.9
81.03430	23.5
81.07063	55.7
83.04986	24.4
83.08129	2.9
83.08626	57.0
85.06519	2.9
91.05489	25.4
93.07050	31.4
95.04971	40.9
95.08608	25.2
97.02901	2.8
97.06554	9.2
97.10179	36.6
98.20716	2.1
98.97599	1.8
99.04446	2.7
99.08102	24.9
102.51896	1.4
105.07040	19.9
107.04973	12.5
107.08601	34.5
109.06533	9.0
109.10147	18.8
111.04465	14.1
111.08092	10.1
113.06006	1.9
117.07002	10.9
119.08583	16.6
121.06506	5.0
121.10146	14.4
123.08069	7.5
123.11723	4.7
125.09635	29.5
126.68177	1.6
128.06273	1.7
129.06992	5.5
131.08568	14.8
133.06519	3.0
133.10136	11.3
135.08046	8.6
135.11703	12.4
137.05994	4.4
137.09622	3.1
139.11160	5.4
141.07031	2.4
141.82013	1.5
143.08517	2.9
145.06511	2.3
145.10158	13.1
147.08026	3.9
147.11722	9.3
149.02142	3.6
149.09613	15.3
149.13249	2.7
151.11104	4.3
153.09137	5.9
153.12708	4.6
157.10146	6.3
159.11671	7.1
161.09596	3.1
161.13318	2.8
163.09822	3.1
163.11185	55.2
165.12752	6.2
167.10703	4.9
169.10083	2.3
169.12279	2.4
171.11609	2.5
173.13200	2.7
175.11154	2.9
177.12752	7.3
181.12271	3.1
183.11932	1.9
183.13855	2.9
184.39165	1.7
185.11780	2.8
189.11226	16.3
191.10706	3.4
191.14302	2.1
193.12230	11.3
195.13803	19.8
205.12247	1.7
211.13318	10.3
223.13315	9.3
229.19536	2.9
247.20554	4.0
249.22171	3.5
257.19055	6.0
265.21640	2.9
275.20074	35.3
279.10181	3.5
283.06100	2.9
293.21130	100.0
311.07700	11.3
311.12860	4.6
311.22229	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03933	4.1
53.05230	2.5
55.01861	5.5
55.05291	2.5
55.05514	26.6
57.03424	7.9
57.07067	4.0
67.05169	4.8
67.05509	78.1
69.03422	9.1
69.07070	14.6
69.30210	25.3
71.05004	13.7
71.08629	58.8
79.05499	30.1
81.03401	10.4
81.07064	25.6
83.04575	2.6
83.04990	23.7
83.08604	11.1
85.02893	7.7
85.06540	3.5
91.05473	26.0
93.07040	31.4
95.04970	12.6
95.08023	5.0
95.08610	62.4
97.06535	10.4
97.10157	7.7
99.08093	37.1
105.07036	13.1
107.04951	5.8
107.08601	11.2
109.06560	4.5
109.09458	3.6
109.10164	52.4
111.08076	5.9
113.05984	3.8
117.07022	4.6
119.08617	17.9
121.10168	6.9
123.08063	7.1
123.11674	2.9
125.09647	4.5
127.11215	3.3
131.08536	5.8
133.10115	9.0
135.07945	3.0
135.11684	4.9
137.09596	19.1
137.17134	2.9
139.11191	72.5
141.12700	3.4
145.10112	4.8
147.11690	3.8
149.09634	4.0
149.13243	3.6
151.11189	30.8
155.10686	47.9
159.11653	6.6
161.09599	14.7
165.12857	3.3
173.11742	24.5
177.12755	17.8
179.10706	6.1
188.69621	2.9
191.14305	4.6
195.13728	6.2
203.99586	3.1
215.17847	2.8
229.19562	4.5
247.20474	4.5
251.16518	3.5
257.18939	8.6
262.63577	2.9
265.21591	4.8
275.20081	38.4
293.21115	100.0
311.22171	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	4.4
55.01871	13.0
55.05511	23.8
57.03441	3.0
57.07085	13.0
67.05503	36.8
69.03442	3.4
69.07070	41.5
70.06569	4.5
71.04987	8.4
71.08631	6.0
71.63715	2.4
72.34887	2.2
79.05485	25.4
81.03407	8.1
81.07062	44.0
83.04987	25.5
83.08627	9.1
85.02904	5.7
85.06553	2.8
88.07626	4.8
91.05473	21.4
93.07050	35.8
93.69237	2.2
95.04970	65.3
95.05547	4.5
95.08611	29.9
97.06524	14.3
97.10177	10.2
99.04453	10.5
99.08065	3.2
105.07031	19.1
107.04957	5.7
107.08602	23.9
108.08914	2.6
109.06519	8.6
109.10155	12.7
111.04449	29.2
111.08123	4.8
112.61324	2.6
117.07027	8.1
119.08569	14.7
121.06507	8.1
121.10146	18.9
123.08097	5.5
123.11694	4.5
125.05991	4.1
125.09636	7.5
129.06998	3.0
131.08565	14.1
133.10158	11.7
135.08087	16.1
135.11705	10.0
137.09659	2.7
139.11192	5.9
143.08615	3.2
145.10146	10.9
147.11655	5.8
149.02293	15.3
149.09627	8.5
149.13245	6.2
151.11185	4.5
153.12718	2.4
157.10126	3.6
159.11705	13.1
161.09665	4.2
163.11191	6.7
167.14314	5.3
171.11722	5.0
173.13254	5.4
177.12700	11.0
187.11101	2.2
189.11241	3.1
191.14381	2.9
193.04955	25.2
195.13783	3.6
196.62569	8.1
200.20171	2.8
201.12781	4.5
203.12793	3.6
205.12320	3.1
219.13829	6.7
224.65669	6.5
229.19617	2.8
237.14847	69.3
241.14394	5.0
247.20493	4.8
256.26288	3.7
257.19031	4.6
275.20044	50.6
293.21106	100.0
311.07761	4.5
311.21570	4.8
311.24887	35.1
311.74744	6.5
313.45459	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01874	7.9
55.05517	32.7
55.89442	4.0
57.03420	7.5
57.07066	18.1
67.05511	64.7
69.07075	39.4
69.32038	20.6
69.32474	25.1
70.06586	15.5
71.04990	8.2
71.08628	32.4
79.05499	28.4
81.03417	8.8
81.07058	52.1
82.41177	4.7
83.04968	18.7
83.08609	18.2
85.02874	5.8
85.06522	6.8
88.07636	7.8
89.53913	5.1
90.43945	4.1
91.05500	31.8
93.07053	40.5
95.04990	37.6
95.08612	54.3
97.06531	12.9
97.10165	5.3
98.20805	11.7
99.08086	21.9
105.07028	22.8
107.04967	12.9
107.08576	25.7
109.06531	8.0
109.10151	34.5
111.04414	12.6
117.07032	10.5
119.08616	25.5
121.10158	19.6
122.09683	5.5
122.46124	4.5
123.08073	4.6
131.08559	13.7
133.10126	15.8
135.08063	11.2
135.11710	11.8
137.09639	12.3
139.11185	24.7
143.08553	9.4
145.10149	12.4
147.11656	7.9
149.02361	23.2
149.09625	8.8
151.11182	11.9
155.10664	14.4
157.10104	7.8
159.11682	10.7
161.09618	5.8
162.20512	5.1
162.42102	4.6
173.11757	7.5
173.13159	4.8
177.12761	11.4
193.04979	40.3
195.13922	5.3
195.94051	4.7
196.62540	14.0
200.20192	5.0
201.12628	5.1
208.08800	5.4
237.14821	31.1
247.20651	4.8
256.26358	4.9
275.20117	40.4
293.21130	100.0
311.07733	7.1
311.25247	90.7
311.74768	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	311.2216
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
55.01885	1.9
55.05514	8.7
57.07066	3.6
58.06593	1.7
67.05511	10.5
69.03442	1.0
69.07069	3.4
69.98455	1.9
69.98870	3.2
71.04949	1.0
71.08637	11.5
76.82064	0.9
79.05496	7.2
81.03419	1.3
81.07062	9.5
83.04967	2.3
83.08630	4.8
85.06538	1.1
86.06070	2.9
91.05486	4.3
92.10168	1.2
93.07052	5.5
95.04974	4.9
95.08599	6.9
97.06520	1.5
97.10172	5.0
99.08090	6.1
105.07024	5.4
107.04960	3.5
107.08614	4.6
109.06544	2.2
109.10179	2.9
111.04454	2.8
117.06989	1.1
119.08584	1.7
121.06512	3.6
121.10145	2.1
125.09682	2.4
131.08577	2.6
133.10103	2.0
135.04352	1.0
135.08069	1.1
135.11697	1.6
139.89764	1.0
145.10175	1.0
147.11633	1.2
149.02090	1.2
149.09581	1.5
149.13213	0.9
153.05461	1.4
159.11678	2.1
163.11134	1.4
165.12799	4.0
177.12744	1.4
189.11235	1.8
191.10683	1.1
199.96120	1.0
209.11748	8.1
215.22514	1.1
237.11243	8.0
237.14893	1.0
255.12198	1.7
275.19986	6.8
279.64206	1.1
293.21121	100.0
294.21298	1.1
311.07355	4.4
311.25659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
54.45766	0.7
54.82280	0.8
55.01870	1.7
55.05515	14.2
57.07075	3.1
58.06603	1.2
67.05512	7.9
68.33112	0.8
69.03445	1.1
69.07088	4.7
71.08636	8.8
71.61224	1.0
79.05495	5.1
79.60252	0.7
81.07063	9.3
83.04990	2.4
83.08611	6.9
86.06078	2.0
91.05497	2.7
93.07049	5.3
95.04983	2.7
95.08624	6.5
97.06535	0.9
97.10185	8.3
99.08089	6.2
105.07032	2.2
107.04950	1.8
107.08591	3.8
108.05773	1.1
109.06541	1.3
109.10160	2.6
111.04448	2.9
111.08113	1.0
117.06994	1.4
118.36205	0.8
119.08598	2.4
121.06520	5.9
121.10188	2.9
123.08054	1.4
125.09676	6.5
131.08611	0.9
133.10117	2.1
135.08069	1.2
135.11681	1.6
143.08624	0.9
145.10170	2.0
149.02165	1.8
149.09633	1.0
151.11217	2.1
153.05431	1.4
163.11185	1.4
167.10690	0.9
169.53969	1.0
177.12834	2.0
181.12221	1.7
189.11255	2.8
191.10652	0.9
209.11745	7.8
237.11249	6.6
255.12303	1.4
273.14737	1.0
275.20026	6.8
293.21133	100.0
294.21469	1.2
311.07404	3.5
311.74136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.90119	2.2
52.99403	2.5
53.03939	7.3
55.01868	21.4
55.05290	3.2
55.05516	38.0
56.96565	3.0
57.03450	5.6
57.07075	12.2
67.05513	47.9
68.41647	2.4
68.99795	2.3
69.03428	3.0
69.07069	29.8
69.52013	14.8
69.52428	5.0
71.04987	4.8
71.08648	5.2
79.05504	29.2
81.03413	7.8
81.07059	51.4
83.04975	10.9
83.08617	18.3
85.06561	2.2
85.10192	4.0
86.06088	2.9
91.05489	28.6
93.07061	34.1
95.04969	18.1
95.08612	40.4
97.02909	4.0
97.06530	9.4
97.10172	9.9
98.26894	2.6
99.04440	3.4
99.08089	5.6
99.87971	2.5
100.52177	2.4
105.04534	3.6
105.07037	20.1
107.04956	5.2
107.08603	26.1
109.06506	9.1
109.10180	30.0
111.04462	8.6
111.08074	6.7
117.07014	4.8
119.08589	13.8
121.06511	8.9
121.10154	15.8
123.08077	7.7
123.11709	8.5
124.14925	2.3
125.06017	7.3
125.09671	20.8
131.08577	8.7
133.10136	25.2
135.04434	100.0
135.08080	7.3
135.11726	12.6
137.09627	10.2
139.11205	4.0
141.09077	2.6
143.08549	3.4
145.10126	10.3
146.07173	3.1
147.11699	4.8
149.02124	6.9
149.09608	5.9
149.13278	4.6
151.11186	18.9
153.05502	4.8
153.09068	4.9
153.12781	3.2
157.10165	4.1
159.11703	6.4
161.09642	45.7
161.13260	2.8
163.11186	10.4
167.10663	3.7
169.12280	3.6
171.11729	2.7
173.09543	2.6
173.13268	6.0
176.09430	2.4
177.12778	7.4
181.12309	3.6
191.10635	4.8
195.13916	5.7
209.11729	23.9
212.92215	2.5
229.19498	4.2
237.11143	16.9
247.20633	5.9
257.19034	9.0
265.21729	2.5
275.20062	38.9
292.85144	2.8
293.21109	49.1
311.07565	23.4
311.16238	4.7
311.22845	3.7
311.26007	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.40221	6.4
50.53175	6.4
53.03941	6.8
55.01878	8.7
55.05520	43.8
57.03404	7.4
57.07068	8.8
67.05173	9.2
67.05507	99.5
69.03430	16.8
69.07063	40.1
79.05495	56.7
81.07061	97.4
83.04979	13.7
83.08622	30.6
85.06548	10.6
89.09998	6.4
91.05495	52.1
93.07043	69.2
95.04991	16.1
95.08617	79.5
97.06524	25.1
97.10155	19.9
105.07041	52.4
107.04974	13.3
107.08589	44.5
107.87859	7.5
109.06528	10.6
109.10159	58.1
111.08092	11.3
111.70516	6.6
117.07021	17.2
119.08572	46.1
121.06496	9.5
121.10136	32.0
123.08097	14.0
123.11694	9.8
123.38037	6.0
125.09615	24.0
131.08568	27.1
133.06401	7.3
133.10132	34.3
135.08118	8.8
135.11734	11.4
137.05966	37.5
137.09630	10.4
139.11115	6.4
141.51807	6.6
145.10109	30.0
147.11661	21.9
149.09625	16.8
149.13277	15.2
151.11115	6.7
159.11729	12.9
161.13225	10.3
163.11214	18.1
169.10104	8.6
173.11804	10.9
173.13187	16.1
177.12790	11.3
187.07504	11.3
189.11176	13.2
190.07845	11.5
191.08595	16.2
195.13737	7.8
218.07236	7.6
219.08037	21.5
220.08847	7.0
239.17911	11.4
251.10652	22.5
257.18979	10.7
275.20096	100.0
279.10101	20.1
293.21188	32.7
299.82248	7.8
311.07471	16.5
311.12851	31.7
311.18365	23.0
333.74490	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03933	5.2
55.01861	8.2
55.05499	33.2
57.03426	9.6
57.07066	19.7
58.84177	3.8
62.60499	3.6
67.05510	49.4
69.07064	29.3
69.65607	3.9
69.97113	20.7
71.04990	7.9
71.80524	4.3
78.71690	3.9
79.05496	45.3
81.03398	4.7
81.07062	63.9
83.04979	10.8
83.08608	10.7
85.06543	4.9
91.05491	27.6
93.07042	41.7
95.04955	14.8
95.08604	31.6
97.06525	13.3
97.10165	7.5
105.07031	28.6
107.04935	11.0
107.08594	35.1
109.02856	5.4
109.06503	11.2
109.10172	26.4
111.04455	20.3
111.08074	5.3
117.07004	11.2
119.08564	24.4
119.36229	4.5
121.06467	3.8
121.10123	21.2
123.08070	9.4
123.11702	10.9
125.09625	7.6
127.23454	3.8
128.49185	3.8
129.07008	7.5
131.08559	17.2
133.10112	17.9
135.08087	10.0
135.11681	10.7
137.05975	4.6
137.09604	8.8
139.11217	6.0
143.08617	5.2
145.10117	16.7
147.11681	12.9
149.02293	7.1
149.09592	11.5
151.11185	11.3
153.05424	11.5
157.10110	9.8
159.11671	10.5
161.13278	7.2
163.11154	10.2
169.10129	4.1
171.11610	6.2
173.13310	7.8
174.13651	7.6
174.95647	3.7
177.12724	5.7
181.12215	9.5
186.12698	4.1
189.11168	4.5
191.10675	10.2
193.04993	7.0
193.94313	4.0
199.14839	5.5
209.11758	69.1
237.11226	72.4
255.12245	8.1
256.69260	3.9
257.19006	9.7
275.20032	56.2
281.20889	4.6
283.05890	4.3
293.20847	28.6
311.07565	11.9
311.25705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81953	3.7
53.03943	4.4
55.01857	4.8
55.05518	75.3
56.72658	4.0
57.03442	24.8
57.07082	36.6
65.03964	4.8
67.05505	32.1
69.07072	100.0
71.08626	17.3
71.61720	6.7
79.05499	22.0
81.03432	5.8
81.07066	42.9
83.04980	6.7
83.08627	55.6
85.10178	5.2
85.98182	4.4
91.05473	21.3
93.07044	56.2
95.04981	26.7
95.08611	56.3
97.06536	19.3
97.10179	35.9
100.63099	3.7
105.07035	41.0
107.08608	23.7
109.10185	21.2
111.04433	7.9
111.11723	18.8
116.19390	4.4
117.07007	8.6
119.08587	27.6
121.06469	7.8
121.10152	22.3
123.08073	9.8
123.11652	7.4
125.09652	4.9
131.08585	12.2
133.10143	20.7
135.04385	20.0
135.08006	5.8
135.11693	16.7
137.13203	4.6
138.64421	3.6
142.07739	5.1
143.08493	5.5
145.10139	19.3
147.11703	10.7
149.02115	27.5
149.13277	8.5
153.05490	12.0
157.10159	13.1
159.11635	21.9
161.09613	27.7
161.13275	8.1
171.11755	11.2
173.13249	13.0
177.16328	6.8
181.10063	5.3
183.11667	5.6
185.04256	6.2
185.13353	4.5
187.11200	6.0
189.16399	11.1
195.00079	4.4
195.11594	3.7
201.16298	6.1
209.11711	33.9
213.16499	5.3
215.17807	4.6
223.14754	4.7
237.11295	31.5
274.10419	4.7
293.17508	5.2
311.07349	78.7
311.16336	12.9
311.25983	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.19728	0.7
53.03941	1.4
55.01862	2.3
55.05514	61.3
57.03440	24.7
57.03727	1.6
57.07077	27.9
61.00357	0.6
64.25806	0.6
67.05508	8.3
69.07069	64.2
69.29113	7.3
71.04989	1.2
71.08273	1.1
71.08635	16.9
73.02903	1.2
73.06544	0.9
79.05489	7.2
81.07056	12.1
83.04967	0.7
83.08622	55.3
85.10181	7.9
90.56096	0.7
91.05460	0.8
93.07056	7.7
95.08606	9.1
97.06535	6.2
97.10172	36.3
97.29740	0.7
107.08595	4.6
109.10168	3.7
111.08070	2.3
111.11730	11.0
121.10145	7.7
123.11716	1.8
125.09607	1.7
125.13255	2.4
135.11711	4.8
137.13223	0.9
139.11153	1.1
149.13266	2.8
153.12724	1.2
163.14841	1.3
167.14424	0.8
172.08875	0.7
177.16422	0.9
209.11787	0.9
218.27586	0.7
219.21033	2.1
227.71883	0.7
233.57016	0.7
237.22070	0.9
258.66034	0.7
258.68939	0.8
269.22379	0.8
311.25812	100.0
312.26129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	AS 183
Peak:m/z	Relative Intensity
52.05167	0.8
53.03948	1.2
55.05515	67.3
57.03441	27.4
57.04840	0.9
57.07080	32.1
59.09658	1.0
67.05517	9.3
69.07073	76.3
71.04849	1.2
71.08275	1.4
71.08634	19.5
76.34575	1.0
79.05495	7.7
79.27504	1.1
81.07058	13.5
83.04964	1.7
83.08624	61.5
85.10186	8.2
93.07053	8.4
95.08614	9.7
97.06545	5.8
97.10176	45.1
100.21758	0.8
107.08605	6.7
109.10176	4.1
111.08086	3.6
111.11738	13.2
121.10155	8.6
123.11713	1.8
125.09634	2.7
125.13264	2.9
135.11714	7.2
137.13281	1.3
139.11195	1.5
139.14893	1.0
149.02086	1.1
149.13274	3.5
163.14813	2.7
177.16449	1.1
185.55833	0.9
209.11578	1.0
210.56685	0.9
219.21214	2.3
237.11249	1.2
311.07294	4.5
311.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1077
Annotation	Zierin
Peak:m/z	Relative Intensity
53.03943	0.4
55.01855	0.3
56.05023	0.3
56.96575	1.0
57.03422	0.6
60.04477	0.2
61.02917	0.6
68.09029	0.2
68.60503	0.2
69.03429	1.8
69.07047	0.3
70.06599	1.2
71.04973	0.2
71.60124	0.3
72.08155	0.4
73.02904	0.6
81.03406	0.7
84.04504	0.4
84.08133	0.6
84.12262	0.2
85.02402	0.3
85.02902	2.9
85.07681	1.9
86.07342	0.2
86.07977	0.8
86.09711	1.1
88.03962	0.3
91.05483	0.3
93.07047	0.2
94.06562	0.6
94.40189	0.2
95.04970	1.5
97.02888	2.0
98.97585	1.1
99.04471	0.3
101.00860	0.3
105.03344	0.3
107.04949	0.7
109.02863	0.4
110.07152	0.8
111.04454	0.3
116.98598	0.5
118.06521	0.2
119.01905	0.6
121.02870	1.4
122.06037	7.0
123.04410	0.2
127.03906	0.9
128.98599	0.3
131.01880	0.3
132.04451	0.8
132.08035	1.1
133.02824	1.6
136.07529	0.3
138.05490	0.3
145.04942	0.4
146.06038	0.3
147.04381	0.3
147.06766	0.2
148.03915	0.3
150.05504	100.0
150.09097	1.7
151.03882	0.8
151.05904	0.5
158.06647	0.3
158.99742	0.4
161.02986	0.2
162.01439	0.3
162.02896	0.2
162.05476	0.3
163.03923	0.6
167.07076	0.7
174.05536	0.3
178.50322	0.2
180.08813	0.3
181.97845	0.3
185.02888	0.3
192.06532	0.6
193.06671	0.2
199.99112	0.2
200.04195	0.2
203.02225	0.2
215.14223	0.2
216.06607	0.3
216.98727	0.4
223.04221	1.3
234.99796	0.9
252.11342	0.2
258.07434	0.2
280.17096	0.3
295.13669	0.6
312.04126	0.5
312.10828	14.9
312.14386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0701
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.03920	0.2
55.01867	0.1
55.05505	0.1
57.03416	0.2
58.58570	0.1
65.03935	1.1
67.01868	0.3
68.84762	0.1
68.99776	0.7
69.62173	0.4
69.93827	0.1
71.05000	0.1
77.03936	0.1
79.01869	0.1
81.02959	0.1
81.03413	1.4
81.07040	0.1
83.01325	0.1
83.04954	0.1
85.02895	0.8
88.26849	0.1
91.05466	0.4
93.03400	0.9
93.07038	0.1
95.01334	0.1
95.04953	0.2
97.02843	0.1
103.05450	0.1
105.03384	0.2
107.01278	0.1
107.04922	0.1
109.02877	1.1
110.03669	0.1
111.00810	0.1
111.04426	0.2
116.25773	0.1
118.04164	0.2
119.04944	2.1
120.05665	0.1
120.07223	0.1
120.08100	2.8
121.02864	6.7
123.00794	0.1
123.04435	0.1
124.01586	0.1
125.02344	0.3
127.03898	0.2
131.04918	0.1
133.02824	0.5
135.00732	0.1
135.04404	0.1
138.03091	0.5
141.06949	0.1
145.01721	0.1
145.02846	2.2
147.04378	0.3
149.02341	4.9
151.03909	0.7
151.05101	0.1
152.01028	0.2
153.01820	1.0
153.07014	0.1
155.08655	0.1
158.36211	0.1
163.03888	0.7
165.01839	1.3
165.06955	0.3
166.02605	0.8
166.08717	0.1
167.03401	5.9
169.06494	0.1
171.02829	0.1
173.05957	0.2
175.03856	0.1
177.01826	3.2
181.06421	0.1
182.07268	0.1
183.02907	0.3
183.08063	0.2
184.03697	0.3
186.06721	0.1
187.03896	0.2
195.02887	3.4
197.05983	0.2
199.07713	0.1
202.06262	0.2
210.06647	0.1
211.07504	0.6
213.03804	0.1
213.05453	0.3
215.07103	0.3
221.05890	0.1
223.07608	0.1
225.05466	0.1
227.07059	0.5
228.07819	0.3
229.04945	2.0
231.02919	0.1
238.06268	0.1
239.07025	1.9
241.04912	0.1
241.08679	0.2
242.05695	1.1
243.06306	0.1
247.05959	0.2
249.05350	0.1
251.07227	0.1
253.04962	0.2
255.03947	0.1
255.06505	1.8
256.07297	2.4
257.07953	0.2
266.05746	0.2
267.06512	12.5
268.06973	0.3
269.04440	0.8
269.07986	0.2
270.05219	4.6
271.05844	0.2
283.06006	10.8
284.06778	16.0
285.07559	1.4
295.05997	8.0
296.06320	0.1
313.07037	100.0
314.07373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03947	1.5
55.01871	0.9
55.05509	0.2
56.96568	1.5
57.03433	0.8
57.07082	0.2
61.02909	0.2
65.03940	3.7
67.05511	1.9
67.43139	0.2
69.03433	4.5
69.07079	0.4
69.45106	1.6
70.06577	0.5
71.01347	0.3
71.04989	0.5
73.02935	0.3
79.05480	0.2
81.03419	9.3
81.07070	0.3
83.01344	0.3
84.08145	0.4
84.96095	0.2
85.02907	4.8
90.22870	0.2
91.05452	0.3
91.79963	0.2
93.03408	3.0
93.07050	0.6
93.21521	0.2
95.04974	1.4
95.06203	0.2
95.08614	0.5
97.02891	2.0
98.21436	0.4
98.97575	0.7
99.04464	1.3
105.04490	0.3
107.04967	0.4
107.08596	0.4
108.02106	1.8
108.68932	0.2
109.02882	3.8
109.10165	0.2
110.03654	0.8
110.07188	0.2
111.04448	4.5
112.01564	0.2
116.98674	0.3
119.04954	0.2
121.02904	0.4
121.04025	0.3
123.04433	0.6
123.08082	0.2
124.99164	0.9
125.06003	3.5
127.03913	1.2
131.04993	0.2
135.11703	0.5
136.01517	0.6
137.06001	0.3
141.05475	2.1
143.00159	1.7
145.02792	0.3
151.03915	100.0
151.04997	8.2
152.04272	0.4
156.06604	0.6
161.01241	1.0
163.03923	0.5
169.04968	4.6
170.99739	0.3
177.05478	0.3
184.06050	0.4
185.01244	0.4
189.00725	0.4
205.06622	0.2
221.06113	0.3
223.07617	0.6
231.56917	0.2
249.02832	1.7
251.07101	0.5
267.03882	2.4
267.06528	0.3
269.08163	0.3
272.04489	0.4
281.08292	0.2
285.04825	1.0
290.05490	0.6
295.08185	6.0
295.12930	0.2
313.09610	1.2
313.18533	0.2
313.27310	0.3
323.85934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.01875	2.9
55.05505	9.9
56.96570	4.0
57.01945	3.0
57.07061	3.9
58.23606	3.0
67.05513	17.2
67.17202	3.4
69.07070	12.7
69.69021	20.3
69.98573	3.1
71.08637	17.8
79.05493	7.2
81.03429	7.8
81.07051	14.4
83.04977	7.9
83.08640	3.2
91.05484	11.7
93.07044	14.2
95.04949	8.4
95.08601	16.7
97.10191	5.4
99.08084	4.8
105.07049	5.6
107.08594	11.0
107.54551	3.4
109.10151	9.2
119.08568	11.3
121.10120	5.0
127.11181	3.7
133.10129	5.0
137.09628	5.9
151.11151	8.7
177.65100	3.3
179.14284	4.4
210.98753	3.2
277.21625	39.1
295.22687	100.0
313.06931	6.0
321.28827	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.01855	6.3
55.05523	26.4
56.96566	7.0
57.03434	5.5
57.07072	12.9
67.05511	34.6
69.07072	21.7
69.92450	19.6
71.08649	10.2
79.05498	17.2
81.03429	9.6
81.07072	36.0
83.05019	8.9
83.08611	11.1
85.02949	4.5
85.10202	15.4
88.71676	3.4
91.05484	13.8
93.07050	17.3
95.04984	15.2
95.08609	25.2
97.10193	6.9
98.21429	5.5
101.29502	3.9
105.07048	23.4
107.08607	15.3
109.06528	6.7
109.10170	21.7
113.09677	6.6
113.59672	4.4
114.92259	3.9
117.07054	6.2
119.08577	12.0
121.10181	12.6
121.49002	4.0
123.11694	6.1
125.09633	3.9
129.07008	5.6
131.08540	9.5
133.10133	10.6
135.08112	4.5
139.11160	4.1
143.08510	7.2
145.10176	9.1
147.08168	4.8
149.09642	5.2
151.03990	5.4
151.11198	4.6
157.10046	3.6
161.13304	5.1
165.12816	18.2
171.11798	6.9
179.14290	4.6
200.54060	3.7
203.10248	4.2
268.26291	4.5
277.21741	33.6
295.22699	100.0
313.07166	10.4
313.10614	8.8
313.18085	5.2
313.21613	14.3
313.27686	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01877	32.7
55.02092	5.8
55.05512	61.9
56.96564	20.2
57.03448	7.5
57.07069	16.2
59.05001	6.7
67.05173	5.1
67.05513	97.1
68.05015	4.8
69.03426	21.0
69.07072	44.4
70.01990	26.1
70.06572	5.6
71.01343	6.1
71.04988	13.9
71.08635	14.0
72.08175	6.7
79.05500	52.8
81.03427	26.6
81.07062	100.0
83.04987	17.0
83.08623	41.7
85.02911	13.2
91.05488	38.7
93.07050	88.3
93.29391	4.7
94.06595	6.6
95.04974	30.0
95.08620	69.6
96.47397	4.6
97.02879	6.5
97.06523	33.3
97.10175	20.4
99.04433	5.2
99.08086	7.9
105.07047	35.2
106.06546	11.1
107.04948	10.8
107.08609	40.6
109.02864	5.6
109.06546	9.6
109.10163	49.2
111.08083	12.8
117.07053	7.4
119.08563	25.4
120.08086	7.1
121.10159	48.6
122.06030	23.7
123.08057	12.3
123.11712	15.5
125.09650	21.1
131.04915	15.0
131.08554	12.4
131.73662	4.8
133.06526	5.7
133.10155	25.5
135.08141	6.7
135.11726	22.1
137.09618	12.7
137.13274	5.5
139.11166	27.4
141.02275	4.9
141.07033	6.4
143.00137	5.8
143.08510	8.2
145.10133	9.2
146.02753	5.2
147.11752	23.2
149.09644	12.7
149.13257	26.9
151.03929	53.8
151.07547	5.4
151.11197	12.8
157.10165	7.9
159.11691	14.2
161.09573	5.1
161.13191	9.2
163.11266	7.7
165.12776	9.6
171.11746	14.2
173.11734	19.7
173.13115	5.2
179.14220	7.9
181.12239	6.0
189.11230	7.2
193.03191	8.0
195.13867	12.2
199.07570	7.3
217.08601	13.8
227.07117	8.5
232.16878	9.1
241.11043	12.4
249.22118	11.5
250.18053	6.7
253.08583	10.2
253.11151	17.8
257.11832	5.5
259.12509	5.7
259.20676	5.8
267.06638	5.4
267.10519	7.4
268.14590	6.8
271.12280	16.6
277.21619	61.1
284.06546	5.5
285.10626	6.7
295.22662	23.2
296.14282	27.2
303.46490	5.6
313.07037	41.7
313.10831	39.8
313.14273	14.4
313.17642	5.7
313.21814	13.4
313.25113	7.0
314.11319	6.8
314.15237	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03953	2.1
55.01864	11.3
55.05509	26.6
56.05022	3.0
56.06293	1.9
57.03431	3.5
57.07061	8.3
58.06600	50.7
59.06924	9.2
67.05505	37.4
69.03412	3.9
69.06710	2.7
69.07070	32.9
70.11788	8.7
71.04988	4.0
71.08620	7.7
72.04517	20.7
73.04851	2.9
79.05495	21.1
81.03401	4.1
81.07053	30.9
83.04980	9.8
83.08627	12.0
85.06514	3.3
85.10201	3.3
86.06069	100.0
87.05852	2.3
87.06391	26.5
91.05478	13.7
93.07047	26.0
95.04957	7.4
95.08599	25.5
97.06527	5.2
97.10164	19.3
99.08117	2.5
105.07012	11.7
107.08592	16.7
109.10161	21.5
111.04459	2.5
111.08064	2.7
117.07030	3.3
119.08588	8.0
120.55616	2.2
121.06458	2.5
121.10128	14.6
123.08060	8.5
123.11720	3.6
125.09662	11.8
131.08545	3.5
133.10124	7.4
133.93776	2.0
135.08047	2.7
135.11693	10.2
137.09625	6.1
139.11189	17.6
141.12724	2.1
145.10150	6.2
147.11642	4.6
149.13260	5.1
151.07390	3.2
151.11154	6.0
153.09079	2.0
153.12778	3.6
155.08496	2.4
157.10126	3.7
159.11693	2.9
161.13234	4.3
165.12675	2.9
171.11731	3.6
173.11746	4.2
173.13231	2.6
175.11168	2.7
175.14900	2.9
181.12277	3.2
189.11169	4.3
189.12752	3.5
199.14796	2.5
225.16492	2.7
231.21083	4.3
249.22130	8.1
259.20584	6.1
277.18771	2.7
277.21646	34.3
295.22751	24.6
295.28110	4.8
313.07004	5.1
313.17728	18.9
313.21600	9.2
313.29541	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.0
57.03439	24.5
57.07078	68.1
67.05171	0.9
67.05508	13.0
69.07070	11.7
70.76321	2.7
71.08633	47.2
79.05513	1.1
81.07056	15.6
83.04980	1.0
83.08624	14.2
85.06551	1.6
85.10186	23.4
89.06027	3.3
89.96251	0.8
93.07025	0.9
95.08609	28.6
96.91545	0.8
97.10178	8.6
99.08115	1.0
99.11745	1.8
103.07563	3.1
107.08587	1.1
109.10162	13.5
111.11692	2.4
117.09120	1.1
123.11693	6.0
137.13231	2.2
147.05678	0.8
239.23715	5.0
257.24731	7.2
313.27368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05292	0.9
55.05516	10.0
57.03442	24.1
57.07080	69.0
67.05512	12.9
69.07072	10.2
70.31322	0.8
71.08636	43.1
71.29536	1.6
79.05510	1.5
81.07063	15.8
83.05006	1.4
83.08634	12.3
85.10191	22.8
89.06047	3.8
93.07063	1.2
95.08041	1.4
95.08620	23.0
95.09224	1.2
97.10175	6.1
99.11720	1.2
103.07568	4.0
107.08656	1.3
109.10166	11.4
111.11721	1.6
117.09196	1.0
123.11733	5.0
137.13249	2.7
151.14801	0.9
221.58372	0.9
227.67296	0.7
239.23712	5.0
257.24783	5.6
313.27383	100.0
314.27637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35777	0.7
51.02300	0.8
53.14203	0.8
55.05512	7.3
57.03180	1.4
57.03440	19.7
57.07078	60.5
57.11686	0.8
67.05509	11.5
69.07070	10.6
71.05006	0.8
71.08636	41.2
71.10169	1.7
72.36124	0.7
72.99106	0.7
75.04443	0.9
78.68131	0.8
78.75648	0.7
81.06631	1.2
81.07060	15.7
83.04960	1.5
83.08623	12.8
85.06541	1.2
85.10183	19.4
89.06019	2.6
93.07050	0.9
95.08612	23.3
97.10161	5.2
99.11726	1.2
103.07581	1.8
109.10175	9.8
111.11711	1.8
117.09177	1.1
123.11712	4.6
125.13293	1.5
131.10645	1.2
135.11630	0.8
137.13229	2.0
151.14861	1.0
181.56502	0.8
182.06316	0.8
239.23700	2.6
257.24716	7.7
313.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.07070	0.5
55.01866	2.7
55.05254	0.7
55.05512	9.7
56.05043	6.3
57.03429	1.6
57.07051	0.9
58.06606	1.0
65.03924	1.0
67.05161	0.8
67.05508	13.1
68.05013	2.3
69.03436	9.3
69.07069	5.0
69.80489	3.1
70.02951	0.6
70.06605	6.7
71.05003	5.4
72.04514	1.8
72.08146	0.7
78.80073	0.7
79.05501	12.6
80.05004	2.7
81.03416	9.5
81.07063	20.8
82.06583	3.0
83.04978	5.0
83.08620	7.1
84.04030	0.8
84.04514	12.4
84.08167	3.9
85.02911	3.4
85.06535	1.8
86.06074	44.8
86.09718	0.8
87.04474	38.8
91.05482	8.6
93.07057	14.0
94.06558	2.6
95.04973	4.5
95.08615	11.5
96.04466	0.7
96.08141	9.8
97.02898	0.8
97.06534	8.8
97.10163	2.4
98.06062	9.5
98.97608	0.8
100.11250	1.5
102.05552	7.1
103.05538	0.6
104.07104	10.0
105.07039	7.6
106.26631	0.6
107.04975	1.5
107.08605	6.8
108.08102	1.5
109.02870	1.2
109.06506	1.7
109.10145	1.4
110.06028	2.0
110.09686	1.5
111.04418	1.1
111.08080	1.7
112.06826	0.8
112.07609	13.1
114.05499	0.9
114.09145	1.1
117.07012	2.0
119.08593	5.3
121.02908	0.8
121.06519	1.5
121.10159	4.0
122.06045	1.7
123.08054	1.5
123.11698	2.1
124.07610	7.0
125.09725	1.2
126.05539	1.3
126.09158	1.8
128.07092	1.0
128.10730	1.5
129.06985	2.8
131.08577	4.3
133.10112	3.9
135.08047	1.2
135.11699	1.8
138.09131	1.9
138.12753	2.7
140.07069	3.4
142.08649	4.8
142.12253	1.1
147.08090	0.7
147.11687	5.4
148.07568	2.2
149.09628	18.2
149.13280	1.7
150.03760	0.6
150.09174	1.0
151.03897	2.9
151.11240	0.7
152.04312	3.0
155.46806	0.6
156.10178	1.6
156.13840	0.9
157.10103	2.1
158.08145	5.5
159.11682	1.7
159.14944	0.7
160.07582	1.8
162.05371	0.6
163.11200	0.9
164.14355	0.8
165.12756	3.0
166.12257	1.5
167.10608	0.7
175.11177	3.9
177.12749	2.5
182.15364	3.6
184.13373	2.4
185.40149	0.6
192.13873	1.2
193.12250	11.7
194.15387	1.2
195.13811	3.5
200.16464	0.7
208.05203	1.2
210.14920	11.9
211.13309	15.5
212.16499	3.3
213.14896	2.7
224.07881	0.8
228.12294	0.7
228.15941	4.0
230.17549	1.3
250.18112	3.5
252.07440	1.1
252.16277	0.7
260.16544	4.0
268.06805	0.9
268.15924	0.6
268.19110	2.4
270.14304	1.2
270.17032	16.1
278.17548	10.4
284.06320	0.6
285.07077	1.2
286.16589	0.8
296.18594	7.2
297.12332	1.0
314.07401	7.8
314.19623	100.0
315.08527	1.6
315.19855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Heliotrine
Peak:m/z	Relative Intensity
55.01882	8.7
55.05299	0.8
55.05512	8.9
56.05022	1.2
56.52004	0.7
56.79793	0.7
56.96570	1.2
57.03432	1.2
59.55363	0.8
65.04485	0.7
67.05508	5.0
68.05008	1.9
69.03422	2.6
69.07069	3.7
70.02971	1.9
70.06595	26.0
71.04995	23.4
71.60077	1.2
79.05489	5.2
80.05009	2.5
81.03417	1.7
81.07047	3.8
82.06567	1.3
83.04969	1.5
83.08614	6.7
84.08134	0.9
85.02908	1.4
85.58111	0.7
86.06081	5.8
91.05466	1.7
93.07041	3.0
94.06571	2.5
95.04967	1.4
95.08592	2.8
96.04475	1.9
96.07550	1.5
96.08137	27.2
97.02880	0.7
97.10170	11.2
98.06042	2.0
98.09695	18.3
98.85863	0.8
98.97575	1.1
105.07057	1.2
106.06580	1.7
107.04948	1.3
107.08572	4.3
108.08113	4.6
109.02881	1.0
109.06477	1.0
109.10165	1.8
112.07637	1.2
119.08583	2.5
120.08109	2.6
121.08891	0.9
121.10176	1.4
122.06033	11.3
123.08040	1.6
123.11707	0.8
124.07580	6.0
125.09631	5.2
135.11745	1.4
137.09599	1.3
140.07059	9.5
145.10100	0.9
147.11684	0.9
148.07597	2.3
150.09105	0.8
151.03949	4.6
152.04236	3.9
157.10144	0.8
161.01196	1.1
161.05984	1.0
163.11195	1.0
165.12723	0.7
166.08649	0.9
177.05777	0.7
180.13896	1.0
189.11292	1.3
193.12274	1.2
208.05049	0.8
222.18573	1.7
232.16960	3.1
242.15762	1.0
250.18021	18.8
260.16492	5.8
266.77197	0.8
267.13293	0.8
268.18994	4.1
272.64517	0.8
278.17532	19.6
280.54251	0.7
283.09909	0.9
296.18576	100.0
298.10791	0.7
314.07556	2.8
314.10831	1.3
314.14047	1.7
314.19604	1.1
315.12204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1052
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
53.07404	0.4
56.96556	1.2
69.03419	0.7
70.06573	0.8
70.95255	0.9
73.02908	1.0
79.02102	0.4
79.05473	0.7
81.03411	0.6
81.07034	0.5
84.08132	0.9
85.02888	0.8
86.09720	0.4
89.03922	1.6
97.02898	0.5
98.97603	3.3
107.04965	1.4
116.98620	0.9
117.03381	1.0
119.05095	0.4
135.04402	1.6
137.05995	0.4
137.91617	0.3
143.00128	0.9
145.02838	1.3
146.99606	0.6
153.05241	3.0
158.99702	0.6
159.03314	0.4
163.03915	7.2
164.04272	0.6
173.87967	0.4
177.00726	0.8
178.26318	0.4
185.01215	0.4
185.04201	2.1
203.05287	0.9
210.03041	0.9
223.07379	0.4
238.31783	0.5
249.02866	0.9
303.03806	0.5
315.10519	100.0
316.10995	1.1
321.04907	1.3
333.04965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
56.04774	0.7
56.05042	11.1
56.96554	0.5
57.07080	3.8
58.06607	2.9
60.04520	1.0
67.05511	6.4
69.07073	5.3
70.06599	8.1
71.08635	1.2
74.06084	100.0
77.49881	0.4
79.05511	1.1
81.07066	7.0
83.08624	4.1
84.08146	6.0
85.10203	1.0
88.07641	2.1
95.08600	6.4
96.08146	0.5
97.10191	2.0
98.09711	1.8
98.20657	0.7
102.09188	0.5
106.08662	1.2
109.10173	1.7
111.11730	0.7
113.88423	0.4
218.90067	0.5
229.44267	0.4
254.28439	6.1
268.29993	11.3
278.02039	0.5
280.29977	13.4
298.31064	56.5
299.31555	0.5
316.10901	0.5
316.32101	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	8.4
56.96373	6.6
56.96574	75.0
67.05489	8.1
68.42066	7.2
69.03425	15.4
69.07034	10.5
70.06590	23.6
71.60239	6.2
72.08159	33.5
74.97613	22.6
81.07054	8.8
83.06103	21.3
84.04514	32.8
84.08151	39.1
84.96027	9.7
85.02907	12.4
86.09705	79.6
87.28822	8.4
97.02869	15.2
98.09741	13.6
98.97597	100.0
101.07203	7.9
107.04970	12.4
109.06535	11.7
110.97574	32.1
110.98244	8.1
116.98655	39.4
118.25842	5.9
123.04472	7.1
127.03905	14.6
128.98592	32.1
129.10234	17.3
130.06519	11.7
132.10205	19.3
134.99646	14.2
135.04501	9.6
137.05968	7.6
137.22160	6.8
141.06631	8.6
143.11768	10.5
146.05986	7.5
146.99611	16.5
152.98572	10.2
154.94116	9.2
155.07074	9.9
156.70702	6.7
158.99695	24.1
159.06764	11.3
160.07544	12.1
163.03931	12.4
170.99643	16.2
173.57750	7.1
177.00708	25.0
189.00711	7.7
189.12311	9.1
191.98903	9.0
215.05931	13.8
219.01825	61.6
237.02832	72.6
275.08005	9.5
288.09067	9.1
289.09753	20.9
299.16922	18.1
301.09940	15.8
302.10480	11.3
317.03162	11.5
317.09180	54.1
317.12756	84.3
317.20752	11.4
318.12439	9.4
335.10168	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	317.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07619	0.3
58.06595	10.3
59.07381	3.7
69.54312	2.1
72.08144	0.3
74.09721	37.2
75.06684	0.3
82.59144	0.3
82.99884	0.5
100.07603	1.1
101.00863	0.6
122.16549	0.3
132.10197	0.8
156.08708	6.7
156.09972	0.4
158.06636	13.7
173.05408	0.4
174.08237	0.6
174.09766	10.0
176.07693	21.0
191.06348	1.0
199.06914	0.4
200.07683	100.0
201.07805	1.5
218.08749	75.7
219.08995	0.9
241.10281	1.0
242.11069	0.3
243.11952	2.4
261.12964	5.6
273.16611	7.6
274.10193	2.4
275.14508	0.9
305.27704	0.3
317.15585	84.9
318.15842	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	317.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	9.6
59.07376	3.4
69.00547	0.4
71.53234	0.5
71.53566	0.7
72.08140	0.5
74.09721	40.4
82.99870	0.4
84.08079	0.5
86.09702	0.4
93.54458	0.4
95.33833	0.3
100.07600	0.7
101.00907	0.8
105.77175	0.4
114.84068	0.4
118.08629	0.8
119.01941	0.9
130.06566	0.8
132.10202	0.6
156.08681	7.2
158.06642	12.1
174.08253	0.5
174.09772	11.0
176.07703	20.7
177.07884	0.6
181.58842	0.4
191.06429	0.8
200.07681	100.0
201.07928	1.4
218.08749	77.5
219.08965	1.6
232.10313	0.6
241.10321	1.3
242.11006	0.5
243.09703	0.5
243.11783	2.3
253.01654	0.4
261.12961	4.9
273.16574	7.7
274.10074	1.6
275.14474	0.9
289.09714	1.0
289.77420	0.4
299.12009	0.6
317.15601	85.9
318.15848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.44692	2.0
54.72156	2.6
55.01870	5.4
55.05515	24.2
56.26309	2.1
56.96564	3.3
57.07065	8.8
59.04992	8.5
60.04514	7.8
65.03910	3.7
67.05169	4.5
67.05511	74.5
69.03440	5.7
69.07055	7.4
70.06576	2.5
70.31358	8.4
79.05502	15.3
81.03391	2.7
81.07061	40.9
83.04982	6.1
83.08624	4.3
85.06539	3.6
87.04474	3.4
88.07629	3.3
91.05482	24.2
93.07049	24.6
95.04977	33.7
95.08619	30.0
97.06535	9.6
102.09193	3.0
103.05483	3.4
105.06371	2.8
105.07047	27.4
107.07874	2.2
107.08606	57.4
109.06521	22.8
109.10167	100.0
109.10914	5.0
111.04444	2.4
111.38107	3.2
117.07039	4.4
119.07782	4.2
119.08594	62.3
121.06483	7.6
121.10133	9.8
122.07270	2.3
123.08076	31.1
125.09615	3.8
126.25217	2.5
127.03868	2.9
129.07007	3.9
131.04968	2.6
131.08560	10.3
133.06511	6.2
133.10133	15.3
135.08057	15.0
135.11696	4.7
137.06006	3.7
137.08647	4.7
137.09633	73.7
137.10693	3.8
139.07581	2.8
143.08588	6.7
145.06496	2.9
145.10146	15.4
147.08041	6.9
147.11671	8.8
149.09615	7.5
151.07556	72.9
153.05516	4.5
155.08588	3.3
156.09341	7.9
157.10143	5.3
159.08090	4.0
159.11722	7.2
161.09618	14.3
161.13289	2.7
163.11177	7.3
165.09100	9.1
167.07114	5.3
171.11671	5.8
173.09656	5.0
173.13289	5.1
175.11159	5.2
175.14824	2.6
177.09138	4.7
178.06290	2.8
179.10706	2.7
179.12424	2.0
181.08597	6.4
181.12238	3.4
183.11705	3.8
185.09653	2.5
185.13219	2.9
185.56537	2.0
187.14720	2.6
189.12761	33.1
191.14394	3.3
197.13203	4.9
199.11107	4.2
201.12560	2.9
203.14236	2.6
207.13824	33.4
215.14417	3.1
217.12216	2.9
221.15262	2.9
233.15419	3.3
237.14891	10.8
243.13852	7.9
256.26392	7.4
261.14822	5.7
270.91113	3.2
281.19107	5.2
299.20090	14.2
317.21115	89.4
317.28769	6.1
318.29932	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01865	0.6
55.05500	0.9
56.05028	0.3
56.96552	0.4
57.03429	1.5
60.04229	0.3
60.04512	0.8
61.02920	1.4
64.19643	0.3
67.05509	0.7
68.44318	0.3
69.03113	0.4
69.03430	3.8
69.07072	1.6
70.06587	1.3
70.07371	0.4
71.04990	0.5
71.24110	0.7
72.08149	2.1
73.02901	0.9
79.05488	0.5
80.04995	0.3
81.03411	1.7
81.07042	0.6
82.06571	1.2
83.01337	0.3
83.04959	0.7
83.08595	0.3
84.04514	0.4
84.08138	0.8
85.02909	7.5
86.09707	5.0
87.04453	1.0
87.05576	0.6
88.61385	0.3
91.03970	0.5
91.05467	1.0
93.07024	1.5
95.04967	0.3
95.07347	0.5
95.08608	1.8
96.04500	3.4
96.08138	2.3
97.02898	3.1
97.05283	2.6
97.06549	1.4
98.06092	0.4
98.97578	0.9
99.04441	0.8
100.07594	1.5
107.34040	0.3
109.02890	1.5
109.06508	0.7
110.06044	6.4
110.09679	3.9
111.08079	0.6
118.06577	0.4
120.08102	1.3
121.06509	1.1
125.08369	0.7
126.09158	9.6
127.03923	1.7
128.10721	0.9
128.73373	0.3
130.06506	0.4
138.09142	20.6
139.07539	1.7
145.04971	1.1
146.05980	0.5
147.04427	0.5
156.10204	100.0
157.10555	1.4
159.11327	0.5
168.10254	1.5
171.88802	0.3
173.12872	4.7
180.10143	0.7
182.06052	0.6
198.11224	0.8
201.12360	1.0
222.11247	0.4
230.13969	0.6
247.08633	0.7
257.07190	0.6
271.08707	0.6
273.10178	0.7
274.16550	0.3
275.08157	2.1
276.31769	0.3
289.09622	0.8
290.12943	0.4
301.09604	0.4
301.21140	0.5
318.12363	8.3
318.15610	1.6
318.23877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44286	0.3
53.01823	0.3
53.03932	0.5
54.12989	0.3
55.01868	0.7
55.05504	0.5
57.03428	1.3
60.04522	0.6
61.02928	1.6
65.31766	0.3
66.91207	0.3
67.05498	0.7
69.03437	4.6
69.07061	2.1
70.06586	2.3
71.04980	0.7
71.60703	0.5
72.08160	2.1
73.02909	0.8
76.01443	0.3
79.05479	1.1
81.03432	1.9
81.07048	0.9
82.06583	0.7
83.04974	0.6
83.08626	0.5
84.04507	0.3
84.08140	1.1
85.02912	6.7
85.06521	0.3
85.99205	0.3
86.09706	3.7
87.04457	0.7
91.03968	0.6
91.05464	0.9
93.07062	1.5
94.06567	0.3
95.04961	0.4
95.07368	0.4
95.08597	2.5
96.04485	3.4
96.08146	1.8
97.02900	3.4
97.05275	2.3
97.06530	1.2
98.06035	0.3
98.97575	0.7
99.04440	0.6
100.07609	1.1
102.05576	0.3
107.08584	0.6
108.08103	0.5
109.02877	1.1
109.06522	0.9
110.06045	5.8
110.07183	0.4
110.09692	3.9
110.97610	0.4
111.08074	1.1
116.98604	0.3
120.08097	1.1
121.06525	1.4
123.06803	0.3
124.07522	0.4
125.08379	0.7
126.09153	7.8
127.03956	1.8
128.10683	1.1
138.05498	0.4
138.09143	20.1
139.07570	1.7
145.04964	1.4
146.05966	0.4
147.04442	0.6
150.09120	0.4
152.10698	0.4
156.10201	100.0
157.07541	0.4
157.10526	0.6
158.99521	0.3
167.07050	0.3
168.10222	0.7
168.99576	0.4
173.12843	2.3
180.10179	0.8
182.05986	0.6
198.11264	1.0
210.14952	0.5
230.13844	0.8
247.08789	0.4
257.07120	0.8
259.08954	0.4
271.08612	0.5
272.09363	0.4
273.10092	0.5
275.08121	1.0
289.09564	0.4
300.11462	0.4
301.09662	0.6
301.21198	0.6
311.70081	0.4
318.12305	6.9
318.15579	1.8
318.19012	0.5
318.23804	0.7
319.12299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03964	0.7
55.05516	10.6
57.05830	0.8
60.04528	20.1
69.03460	0.6
69.07099	0.7
70.06583	1.3
70.41254	2.1
72.08160	100.0
73.02910	0.8
73.08488	0.8
79.05488	0.8
81.03420	0.6
84.08154	0.7
85.02935	0.9
86.09715	25.9
87.05599	1.8
91.05479	0.9
94.63135	0.5
95.04958	0.7
97.06604	0.5
98.97554	0.8
111.09235	1.2
114.09196	3.3
128.10751	1.2
132.10222	18.7
138.09193	0.7
141.10272	1.4
156.10211	3.7
159.11307	22.8
169.09712	0.6
173.12863	9.6
187.10794	24.1
201.12430	3.0
209.11345	0.5
219.13411	35.6
228.16061	1.5
229.11906	1.0
230.14029	0.8
300.19272	1.3
307.46985	0.7
318.12399	1.3
318.20346	1.1
326.73770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2064
Annotation	Tetrabenazine
Peak:m/z	Relative Intensity
53.03935	2.4
53.76163	0.5
55.01876	3.4
55.05513	3.2
56.96545	1.0
57.03443	0.6
57.07061	0.7
65.03931	1.3
67.05506	14.7
68.05015	1.5
69.07064	2.7
70.06593	2.8
70.74325	0.6
70.74649	1.0
71.05000	0.8
79.05060	1.1
79.05495	18.6
80.05006	1.7
81.03407	1.8
81.07059	7.8
82.02942	0.5
82.06588	2.5
82.33440	0.5
83.08616	1.9
84.04505	0.8
84.08121	0.9
85.06535	0.6
86.06057	0.7
88.07623	0.8
91.05481	10.6
93.07050	11.6
94.06001	0.7
94.06564	9.6
95.04980	3.9
95.08604	4.7
96.08133	12.6
98.06013	0.9
98.97569	0.8
103.05442	1.0
104.05093	0.5
105.04498	0.5
105.07018	5.1
106.06551	1.9
107.04961	8.0
107.08597	5.6
108.08105	2.1
109.05235	1.3
109.06522	0.9
109.10149	1.9
110.06055	0.8
112.07601	4.4
113.15453	0.5
115.05454	0.5
117.05753	0.7
117.07004	2.1
118.06522	1.6
119.08588	3.1
119.17931	0.6
120.08109	9.9
121.06479	1.5
121.10149	2.7
122.06027	5.6
122.09628	0.5
123.08079	0.6
124.07586	1.1
128.93056	0.4
129.07010	1.6
131.08549	1.8
132.08058	0.9
133.06465	1.2
133.08850	1.6
133.10121	1.5
134.05994	0.7
134.09634	2.1
135.08047	0.6
135.11691	1.6
136.07578	29.7
138.09131	1.4
143.08543	1.2
144.08011	0.7
145.06496	0.6
145.10092	1.6
146.09647	2.8
147.11690	1.7
148.07576	14.6
148.11130	0.8
149.08400	4.1
150.09102	2.2
156.08144	0.5
157.07559	0.5
158.09662	0.9
159.11676	0.9
159.86800	0.4
160.07578	1.4
160.11200	1.3
162.09044	2.5
163.11201	5.6
170.09659	1.9
171.11734	1.1
172.11243	0.7
174.09178	1.9
175.09900	0.5
176.10713	1.5
184.11189	0.8
185.12013	0.6
187.11252	0.8
188.10678	1.3
189.12766	0.6
205.12029	0.6
207.13727	0.5
211.60048	0.8
254.19102	0.8
256.26373	1.0
262.09845	0.7
272.20148	4.1
274.13635	0.6
274.17828	0.5
274.21643	1.3
282.18463	2.2
288.19669	1.2
290.09311	0.7
290.12653	0.5
290.21045	2.6
300.19580	47.7
301.20038	0.8
318.12979	3.4
318.20645	100.0
318.30225	4.1
319.20981	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	10.4
58.69822	7.1
65.98978	7.0
70.06582	9.0
70.84303	11.9
82.71323	6.0
84.08152	19.0
85.02927	9.3
101.00886	22.9
101.02345	7.3
103.82994	7.2
110.07192	9.1
115.02451	8.9
116.42645	6.5
119.01967	35.9
129.10226	14.7
131.01920	20.9
133.01614	8.0
133.03468	17.8
135.96516	6.4
143.01915	30.6
145.03479	15.3
149.01279	6.6
155.01779	10.4
156.10756	7.5
161.02960	30.3
165.25542	8.3
173.02951	18.8
175.04420	6.9
194.20323	8.1
199.00989	11.2
199.04384	8.0
201.02422	8.6
202.07518	10.0
215.00505	7.8
220.08539	11.4
221.05138	7.5
259.02942	14.6
287.02609	9.4
301.04330	9.6
319.10364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01862	1.3
55.05285	0.5
55.05504	3.1
56.05038	3.2
58.99585	4.3
61.01134	1.4
61.63152	0.5
66.65366	0.6
67.05514	2.7
68.05034	0.9
68.68323	0.5
69.03423	1.8
69.07068	1.7
69.36239	2.2
69.36674	2.3
70.06577	1.1
71.04988	0.7
72.08147	2.1
74.00669	2.7
76.02227	2.3
76.04002	0.7
77.13563	0.6
79.05478	2.4
80.05006	1.2
81.03415	1.0
81.07063	5.4
82.06577	0.6
83.04965	2.8
83.08571	0.6
84.04494	1.6
84.08141	1.0
85.01133	3.2
85.02882	1.2
86.00658	23.6
87.02678	1.5
88.02214	2.8
91.05475	1.7
93.07047	1.7
94.06570	0.7
95.08611	3.9
96.08126	1.0
97.01086	0.8
98.09708	6.0
98.21579	0.6
98.97559	1.9
99.08080	0.6
100.02183	1.8
101.04209	1.7
102.03781	0.8
102.05535	2.2
105.07031	1.7
108.08117	0.6
110.09668	2.3
111.04437	0.6
112.03960	1.6
113.03503	0.9
113.04237	10.1
116.01666	2.9
121.10122	0.8
122.09673	4.3
123.08054	3.2
129.07344	8.0
130.05013	0.9
130.06844	1.8
130.08583	0.9
133.10081	0.8
136.86409	0.6
139.03908	1.1
139.05746	2.9
143.02678	1.1
144.01167	0.9
145.06026	1.2
146.02663	1.2
146.05994	0.8
156.08435	75.8
156.10190	3.6
157.08746	0.8
159.36108	0.5
162.02318	0.8
188.07053	1.0
189.03275	1.2
198.09489	17.8
213.05374	0.7
213.10577	3.9
216.10545	100.0
217.10956	0.7
226.08932	1.2
255.11684	0.8
259.11127	40.6
260.11520	0.8
277.13083	0.6
283.11118	2.4
301.12158	5.0
319.13223	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
53.39703	1.9
54.68068	1.6
55.01859	3.3
55.05510	2.6
56.05022	4.9
56.96548	4.0
58.99593	12.5
61.01145	2.7
67.05489	6.8
68.05031	2.5
69.03426	5.1
69.07055	2.9
71.59667	2.3
72.08157	6.4
74.00648	2.6
76.02204	5.3
79.05476	6.1
81.03390	7.9
81.07067	12.8
83.04980	5.1
84.04486	1.9
84.08146	2.7
85.01115	7.1
85.02900	6.5
86.00658	28.1
86.09717	9.1
87.02691	2.9
87.09985	2.6
88.02219	3.8
91.05499	2.1
93.07049	4.5
95.04969	2.5
95.08617	11.4
96.08109	2.6
97.02889	3.8
98.09692	11.7
98.97105	1.9
98.97601	21.5
100.07626	8.4
101.04243	5.9
101.07960	2.0
102.05504	3.7
103.05450	2.3
104.05759	2.1
105.07017	6.5
107.04929	2.7
107.08598	3.2
109.10102	1.7
110.09663	6.1
112.03950	4.2
113.04230	17.5
116.01658	4.8
116.98624	8.4
119.08556	2.3
121.10174	2.6
122.09675	6.9
123.08049	6.9
128.98604	2.1
129.07349	25.4
130.05008	6.2
130.06779	2.0
131.04912	8.0
131.35558	2.1
132.05273	5.7
134.99661	2.2
139.03908	2.1
139.05739	2.4
143.02774	3.1
145.06120	3.5
145.10176	1.8
146.02745	2.0
146.06003	3.5
156.08432	87.2
156.10211	8.6
157.08826	1.9
158.99626	5.3
162.02165	4.2
167.07088	8.8
175.10962	1.8
177.00758	5.7
177.05551	2.5
181.04962	4.3
182.04259	1.8
188.07109	2.2
189.03294	6.8
189.07353	3.4
198.09468	16.5
215.09377	3.9
216.10550	100.0
217.08510	2.5
226.08980	3.3
231.38202	1.9
259.11133	93.2
283.10916	1.9
301.11887	5.5
302.19293	2.5
319.09631	6.3
319.13171	88.3
319.21970	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	319.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.39422	1.0
55.01883	1.8
55.05507	4.0
56.05044	6.4
56.96562	2.6
57.03430	2.8
60.05643	2.5
62.84591	1.2
65.03927	1.6
67.05497	3.6
68.05016	1.0
68.49428	0.9
69.03426	3.9
69.04540	1.6
69.07071	1.9
70.06597	6.6
71.05003	1.7
71.15878	1.5
72.08161	2.5
79.05501	11.0
81.03411	2.2
81.07063	1.4
81.49276	1.0
82.33512	1.0
83.04994	6.3
83.06094	4.8
83.08608	2.1
84.08133	2.7
85.02899	6.8
86.09698	3.3
91.05476	4.5
92.04960	2.3
93.07046	1.8
95.04955	2.5
95.06107	3.7
96.08101	1.9
97.02873	3.3
97.06516	1.3
98.97588	5.7
99.04480	1.2
105.03408	1.1
105.07053	1.6
106.06536	1.4
107.04933	2.4
107.08592	4.4
109.02863	1.4
109.06507	1.7
110.07158	2.0
110.97565	2.0
111.04421	2.9
111.05573	8.4
113.05980	1.2
113.07131	4.1
116.07098	1.2
116.98633	2.0
118.06587	1.4
120.04473	3.7
120.08129	2.8
120.10435	1.0
121.02857	2.0
122.05994	1.3
123.05521	1.4
124.07667	1.1
125.06010	1.1
126.06644	3.9
126.09148	2.8
127.03903	2.0
127.07481	2.3
128.98634	2.1
130.06563	2.6
132.04463	12.7
132.08061	2.3
134.06000	3.6
135.04407	1.6
136.07549	1.4
137.04703	1.1
138.05489	1.5
138.09178	1.8
139.03925	1.8
140.08168	2.6
142.30652	1.0
146.05997	3.6
146.07109	1.0
148.03906	3.0
150.05516	9.6
151.06168	7.7
152.07091	8.8
156.10201	7.9
157.08574	3.3
157.10695	6.8
160.07538	1.1
163.03943	2.1
166.04991	16.3
167.07135	1.9
170.99658	2.0
176.03453	3.1
176.07126	2.2
177.00737	1.5
182.04491	1.9
187.08710	5.6
188.07045	1.4
189.00705	3.5
189.06548	1.1
194.04466	1.3
198.07965	1.1
200.10770	1.6
201.06616	2.4
202.09795	4.7
203.08191	5.3
219.01672	1.5
227.11832	1.7
228.10031	1.9
230.09264	2.7
231.02306	1.0
231.05310	1.7
231.07674	32.0
232.10774	2.9
233.09247	2.9
233.14001	8.4
237.02902	1.2
240.09047	1.5
241.09630	1.5
242.09261	2.3
246.08716	1.4
253.09782	1.7
257.10492	5.2
259.07175	1.7
259.11929	28.7
260.10321	3.1
271.10675	2.8
273.08826	2.5
273.12375	2.1
277.12973	100.0
278.13412	1.3
283.10773	15.6
284.11517	5.0
289.11832	2.4
291.03806	4.0
301.08618	1.7
301.11798	13.1
302.12494	53.1
319.15500	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2018
Annotation	Huperzine G
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	1.4
55.05524	2.4
67.05516	2.4
67.05813	0.5
69.03432	1.7
69.07071	1.9
69.39059	1.8
69.39491	1.7
70.02943	0.5
70.06599	8.3
71.04985	0.8
72.04511	0.7
79.05496	2.7
79.05889	0.4
81.03448	0.6
81.07059	4.8
83.04981	1.3
83.08632	0.7
84.08146	1.6
85.02904	0.4
85.06524	0.5
88.03974	2.3
88.07621	0.5
91.05476	3.4
93.07051	5.4
95.04971	1.9
95.08618	4.4
97.06522	1.2
98.06071	0.7
98.97521	0.5
100.07624	0.7
105.07050	3.1
107.08609	3.2
109.06522	2.3
109.10175	2.6
111.08088	0.8
116.07071	2.3
117.07014	0.6
118.06554	7.2
119.08563	3.4
121.06506	1.4
121.10145	3.3
121.75886	0.4
123.08086	1.2
123.11708	1.3
125.06024	0.4
125.09654	0.9
129.06972	0.5
131.08556	1.2
132.08087	3.5
133.08887	1.4
133.10107	2.6
134.09616	0.7
135.08070	1.5
135.11678	1.4
136.07521	0.7
137.09602	2.3
139.11172	0.6
143.08582	0.8
145.10091	2.0
146.09676	2.6
147.08057	0.7
147.10483	0.4
147.11671	1.2
149.09601	1.3
149.13454	0.4
151.11203	1.0
157.10126	1.3
159.11719	1.1
160.11165	0.7
161.09628	0.8
161.13339	0.6
163.11255	0.6
164.07071	1.2
165.09222	0.8
171.11699	1.0
173.13263	0.6
174.12791	1.2
175.11234	0.4
176.14352	88.3
177.14723	0.8
179.10664	0.7
187.14859	0.7
199.14874	0.6
202.15872	3.3
203.14426	0.6
203.16696	2.5
215.14516	0.6
245.97975	0.4
248.16504	1.1
262.08728	0.4
273.19629	20.4
275.14252	0.4
283.20526	1.0
291.11124	0.5
301.21652	2.5
301.24582	0.4
310.66037	0.5
319.12018	2.4
319.20135	100.0
320.20502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.2
70.88226	4.8
70.88611	2.0
70.99867	2.8
73.01403	2.4
78.00270	1.7
82.99854	7.1
85.01360	1.8
85.02906	1.9
86.99329	1.6
89.44067	1.4
97.01381	6.6
101.00881	61.6
103.02477	2.2
110.97597	2.0
113.00865	23.3
115.02441	29.3
117.04020	8.7
119.01928	65.4
125.00859	2.4
126.98779	2.2
127.02450	4.9
129.04007	1.7
131.01906	34.4
133.03468	27.8
135.05029	6.8
137.00838	7.1
137.02946	4.7
138.01675	2.4
141.03999	4.1
143.01898	26.9
144.99809	3.4
145.03476	18.8
147.01392	2.4
147.05046	3.6
149.02942	2.4
151.04575	3.0
153.04025	1.7
155.01901	35.6
156.02699	4.7
157.03461	6.7
157.78615	1.8
159.05035	30.6
161.02953	23.5
163.04529	4.6
167.01915	1.6
168.99835	13.4
171.01352	4.3
171.05037	47.4
173.02971	26.6
173.06638	8.2
175.04494	2.7
177.06068	11.4
183.01430	1.7
183.04950	2.5
185.02951	4.1
185.06636	3.1
187.00887	24.6
187.04605	3.6
189.02446	12.3
189.06110	22.5
191.04010	7.9
191.07602	1.9
193.03654	1.7
196.99327	7.2
201.02432	5.6
201.06097	15.9
203.04019	20.1
203.07567	3.3
205.01979	6.3
213.06047	6.2
215.00371	32.5
217.01981	2.1
219.03513	4.2
219.07170	5.9
221.05075	49.1
229.01949	19.3
231.03543	3.4
231.07288	2.6
233.05087	14.5
243.07135	8.2
245.05098	5.2
247.03020	53.9
249.04401	2.6
261.08224	72.0
265.04099	6.2
279.09265	100.0
284.78668	1.7
289.04077	6.9
292.12073	10.0
304.03000	2.1
321.06812	4.9
321.10303	63.6
321.99756	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	321.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
55.01869	0.5
55.05515	2.6
56.96568	0.5
57.03440	0.4
57.07079	0.8
59.05022	0.3
67.05506	3.9
69.03432	2.6
69.07070	4.4
69.45206	1.2
69.45629	1.7
71.04998	1.6
71.08693	0.4
78.69133	0.3
79.05502	3.2
81.03426	4.2
81.07063	9.0
83.04983	1.6
83.08631	0.8
84.08145	1.0
85.02911	0.7
85.06550	1.2
89.03930	0.5
89.91500	0.3
90.18810	0.3
91.05474	5.1
93.07053	6.3
95.04970	3.5
95.08607	6.1
97.06546	2.0
97.10172	0.6
98.20770	0.7
98.97601	0.7
99.04466	0.5
99.08093	0.9
105.07029	5.1
107.04991	0.4
107.08595	5.6
109.02885	1.6
109.06516	2.4
109.10154	4.7
111.04490	0.6
111.08096	1.6
115.05459	3.4
117.03384	1.2
117.05776	1.4
117.07018	4.7
118.06545	56.6
119.04980	0.5
119.07364	3.6
119.08575	4.3
121.06438	0.5
121.10140	5.0
123.08073	1.3
123.11711	2.2
125.05995	1.3
125.09663	0.5
127.03971	0.8
127.11232	0.7
128.06198	0.7
129.07031	0.6
130.06558	0.5
130.07745	0.4
131.08601	1.0
132.08115	1.0
133.07413	0.4
133.10133	2.3
134.09657	99.4
135.08075	1.1
135.10004	0.5
135.11705	2.4
137.09613	2.3
137.13260	0.6
139.11195	1.1
142.02675	0.4
142.06548	3.9
143.07298	5.4
143.08453	0.5
144.04434	1.2
144.08090	23.3
145.02849	2.5
145.06517	0.7
145.10120	2.2
146.06010	100.0
147.06413	0.5
147.07965	0.5
147.11681	2.3
149.05988	0.8
149.09639	1.1
149.13251	1.8
151.07571	0.4
151.11192	1.3
153.12791	0.5
155.06009	0.8
157.10162	0.9
159.07990	0.6
159.11694	1.6
160.07559	1.7
161.09560	0.4
161.13260	1.0
163.11140	1.0
163.14851	0.6
165.09158	1.3
165.12788	0.9
167.10649	0.4
169.10236	0.5
170.06001	7.1
171.11728	0.7
173.13228	0.8
174.09161	1.2
175.14867	1.0
177.05466	5.5
177.12727	0.5
185.13231	0.5
185.16289	0.3
187.14778	0.8
188.07068	94.3
189.07385	0.8
189.12834	0.5
189.16368	0.6
192.10268	1.9
199.14868	0.9
201.16357	0.9
205.15915	0.6
215.17941	0.7
217.15869	0.5
233.09715	0.4
237.84402	0.4
246.06783	0.4
260.08234	0.4
261.09113	0.8
263.07031	0.4
267.20996	0.4
278.09509	0.6
285.22131	0.8
289.03464	0.5
289.08554	0.8
291.23013	0.3
293.11255	0.4
303.15710	0.8
303.20154	0.5
303.23117	2.6
306.08792	0.5
321.10092	2.0
321.15964	9.7
321.24243	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	321.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
56.96564	1.2
57.07076	0.7
59.17210	0.6
62.53608	0.7
67.05493	1.9
69.03425	0.9
69.07062	1.8
70.09903	0.5
71.04591	0.5
71.04985	1.0
79.05482	1.5
81.03415	0.9
81.07054	3.3
83.04974	0.9
91.05466	1.7
93.07048	2.4
95.04952	1.0
95.08588	3.3
97.06491	0.6
98.21449	1.3
98.97590	1.6
105.07047	2.0
105.87841	0.7
107.08595	1.9
109.02864	1.1
109.06521	1.1
109.10110	1.9
110.10170	0.6
110.97556	0.6
111.08093	0.8
116.98642	0.8
117.03321	0.6
117.95029	0.6
119.08554	1.2
121.10130	1.3
122.21911	0.6
123.11675	0.9
131.08549	1.0
135.08044	0.8
135.11661	0.7
136.12761	0.6
145.10172	1.0
147.11670	1.4
159.11737	1.1
177.05414	0.9
237.41837	0.7
249.89862	0.7
298.10339	0.7
321.16718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06036	0.5
53.03933	0.6
53.83867	0.6
55.05495	1.9
56.96571	1.6
57.03447	0.8
67.05498	2.6
68.28661	0.5
69.03423	1.6
69.07050	2.2
79.05499	1.8
81.03403	1.7
81.07055	4.6
83.04958	0.7
83.08603	1.0
85.02914	0.8
91.05485	2.3
93.07049	3.2
95.04966	1.6
95.08632	4.1
97.06561	1.1
98.97578	1.2
100.91947	0.6
105.07048	2.7
107.08591	2.9
109.02882	1.6
109.06506	1.4
109.10169	2.4
111.04432	0.6
116.98587	1.0
119.01756	0.6
119.08573	1.6
121.06537	1.0
121.10170	2.0
123.08080	2.5
123.11708	1.5
127.04011	0.9
131.04892	0.8
131.08556	1.3
133.10130	1.8
135.08051	1.0
135.11765	0.9
144.08084	0.7
145.02826	1.4
147.11688	1.1
151.07556	5.7
157.10184	0.6
159.08096	0.7
165.09082	0.6
173.13353	0.7
177.00816	0.8
177.05515	1.7
189.12686	1.2
191.10745	0.8
199.24945	0.7
207.13794	3.4
219.01854	0.8
229.07567	0.9
233.15269	0.7
240.27567	0.6
247.13342	0.8
267.33698	0.7
303.15353	0.6
303.19763	0.6
303.23349	0.7
321.16766	100.0
321.20361	4.4
322.16898	1.1
325.77350	0.7
338.66205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.6
56.05042	1.7
56.96609	0.9
59.05018	0.4
60.04556	0.5
67.05530	0.5
69.03448	0.7
69.07094	0.6
69.93704	1.7
70.06597	2.0
71.05047	0.4
72.08160	2.0
74.06111	0.3
75.97572	0.3
77.68700	0.3
79.05525	0.7
81.03458	0.7
81.07099	0.5
82.06639	0.5
84.08145	14.1
85.02928	0.6
86.09749	0.9
89.03942	0.6
91.05560	0.9
93.07096	0.6
95.05011	0.6
97.02912	0.4
98.09754	0.6
98.97601	1.6
99.34509	0.3
101.10844	0.5
103.05531	0.5
105.07081	0.5
106.55475	0.3
107.04996	0.3
108.08155	0.4
109.02909	0.5
111.04521	0.5
116.98662	0.7
117.03371	2.6
119.04890	0.3
121.02866	3.8
122.06081	1.3
124.07591	0.4
127.03941	0.3
129.62209	0.4
131.04996	0.5
134.06059	0.4
135.04443	0.5
136.03979	0.5
136.07669	0.4
145.02838	7.4
146.06071	1.4
147.04425	2.2
148.03998	0.7
148.07623	0.8
149.06033	0.8
158.06163	0.4
159.06853	0.5
160.07640	1.5
161.05995	0.5
162.05496	4.2
162.06700	0.4
163.03957	0.8
164.07089	1.1
167.07126	0.6
170.05959	0.4
172.07550	0.8
172.54814	0.3
174.05534	1.1
174.09140	0.6
176.07101	0.8
177.02171	0.3
177.05470	12.3
184.07639	0.6
186.09201	0.4
187.06294	0.9
187.08714	1.4
188.07098	1.3
188.10762	1.0
189.05392	0.6
190.08601	1.8
198.09259	1.9
199.06255	0.5
199.08548	1.0
200.07068	1.7
200.10800	1.6
203.03416	4.0
204.06543	0.8
204.10213	0.5
213.05533	0.4
214.08607	0.8
215.03381	0.4
215.08130	0.8
216.10361	9.1
217.09840	0.7
219.01788	0.4
227.11865	1.8
228.10323	1.7
245.12851	100.0
246.13223	1.2
248.12846	0.5
261.03973	1.6
265.09665	0.5
271.14468	0.9
277.15466	3.7
279.04501	0.4
293.09247	0.6
303.13461	0.8
303.16962	5.1
304.11172	0.5
321.09396	2.2
321.14252	1.2
321.18033	13.9
322.21323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.01921	0.8
55.01876	0.9
55.05518	8.5
56.96546	1.5
57.03427	3.2
57.07079	4.1
65.56031	1.1
67.05506	11.1
69.03420	1.5
69.07074	7.4
71.04982	1.6
71.08618	1.6
79.05499	6.5
81.07066	14.7
83.04974	3.1
83.08624	4.5
85.06554	1.8
91.05472	6.0
93.07038	9.1
95.04965	1.7
95.08607	14.5
95.39726	0.9
97.06545	2.4
97.10165	2.5
98.20606	2.1
99.04462	1.0
99.08122	1.5
105.07030	4.9
107.04939	3.9
107.08604	8.2
109.06528	15.5
109.10154	7.0
110.97575	0.9
111.04417	1.1
111.08076	2.2
117.07013	2.6
118.56167	0.8
119.08584	5.3
121.06494	1.8
121.10167	4.6
122.07309	1.5
123.08078	50.1
123.11665	1.7
125.09617	1.0
129.06975	1.0
131.08580	3.6
133.10152	3.6
135.08061	6.1
135.11696	3.0
137.09593	4.2
145.06435	0.9
145.10130	3.1
147.08029	1.2
147.11684	3.1
149.09633	2.5
149.13235	1.2
157.10135	1.4
159.08041	1.8
159.11736	1.4
161.13289	1.2
171.11674	1.4
173.13245	1.6
177.12790	1.1
179.14323	63.1
180.14624	1.1
187.14777	1.2
190.75763	0.9
191.14363	1.0
193.15892	1.8
197.13266	1.9
201.08835	0.8
233.15337	2.5
247.16977	1.3
265.17953	11.2
275.20145	0.8
285.00281	0.8
289.17999	3.3
290.56564	0.9
303.23239	6.1
303.26221	1.2
321.24271	100.0
322.24414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	11,12-EET
Peak:m/z	Relative Intensity
50.01691	1.9
53.03946	4.4
55.01851	5.1
55.05281	2.6
55.05518	25.3
57.03430	5.3
57.07061	8.8
59.04978	4.3
67.05505	41.7
69.03426	14.2
69.06719	3.0
69.07074	52.3
70.61368	3.9
70.61744	4.7
71.04996	24.6
77.03932	2.4
79.05492	29.1
81.03407	7.2
81.07063	100.0
83.04993	17.6
83.08635	5.5
85.06560	5.4
91.05486	23.8
93.07050	78.0
95.04984	35.3
95.08617	78.0
97.06543	13.3
99.04482	4.3
99.08097	3.8
102.07145	2.1
105.07028	35.2
107.04962	6.6
107.08591	38.9
109.02861	3.0
109.06537	19.6
109.09451	2.9
109.10159	45.4
111.08073	8.7
111.11716	4.4
117.07028	5.5
119.08578	33.9
121.06493	8.5
121.10150	51.7
123.08058	11.9
123.11719	50.6
125.06004	13.7
125.09654	8.3
127.07546	2.9
127.11215	7.0
129.07092	2.2
131.08563	12.7
133.10135	21.4
135.08064	6.0
135.11694	20.3
136.30154	2.1
137.09637	16.6
137.13290	11.7
139.11243	14.0
141.09120	2.5
143.08563	4.0
144.09282	2.3
145.02850	7.3
145.06415	2.4
145.10136	19.1
147.08076	2.5
147.11685	12.6
149.09621	6.5
149.13257	6.6
151.11171	9.3
153.12756	14.8
155.10664	2.5
157.10149	8.4
158.10938	2.9
159.11710	16.3
160.68915	2.2
161.09656	3.3
161.13235	7.5
163.11179	10.2
163.14827	2.9
165.09142	5.8
165.12764	10.0
167.10660	13.7
171.11639	4.3
173.13252	9.7
175.14943	5.4
177.05550	11.9
177.12753	3.8
179.10616	4.3
181.12273	4.7
187.14795	6.5
189.16429	6.8
191.14259	2.9
197.13362	2.9
199.14812	11.8
201.16293	3.8
205.15884	5.6
207.17429	6.6
215.18016	5.2
217.15947	5.2
229.15971	2.8
232.54562	2.7
235.16936	6.3
259.20654	2.8
267.21094	3.4
285.22177	14.7
303.23163	25.4
310.28375	2.2
314.86588	2.5
321.09985	2.3
321.24289	42.0
322.21292	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	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01861	8.5
55.05508	8.8
56.39399	2.4
56.96565	3.3
57.03424	7.9
57.86666	2.2
58.06599	2.7
65.03953	3.3
67.05504	11.8
67.79292	2.3
69.03436	18.6
69.07059	11.4
69.41015	6.5
69.41422	11.3
70.03735	2.1
70.06583	7.0
71.01353	3.7
71.04990	3.6
72.07796	3.0
72.08159	55.9
79.05499	36.8
81.03404	10.2
81.07061	58.4
82.03721	2.7
82.07388	2.9
83.04979	6.5
83.08592	3.5
84.08128	6.0
85.02910	10.6
85.06546	2.7
86.09703	4.8
89.03901	2.9
89.96794	2.6
91.05482	22.1
93.07053	21.9
94.07375	2.7
95.01331	15.2
95.04990	14.2
95.08593	9.8
97.02879	4.7
97.06545	19.2
98.97590	5.5
100.07611	6.4
105.07038	16.1
107.04954	8.8
107.08605	15.7
108.08909	7.5
109.06519	28.7
109.10148	6.5
111.04446	2.3
111.08061	6.0
112.11225	6.8
113.02374	3.9
113.07055	2.9
115.05432	2.8
116.98635	2.6
117.03388	16.5
117.06992	6.1
119.04951	7.2
119.08585	17.5
120.08147	3.2
121.02873	3.5
121.06482	5.0
121.10139	4.8
122.10462	2.9
123.04430	6.9
123.08067	5.3
123.11649	3.3
124.08417	2.6
125.05981	5.8
127.03876	3.0
129.07008	4.0
131.08553	6.9
133.06464	3.1
133.10185	5.1
135.04379	2.3
135.08095	6.3
135.11671	3.4
136.12048	3.2
137.05972	12.3
137.09596	3.6
139.03920	10.2
139.07558	3.3
141.01845	5.3
144.65758	2.6
145.01721	4.2
145.02853	64.0
145.06473	6.0
145.10098	4.5
146.03156	4.1
146.16531	4.2
147.08063	11.6
147.11731	4.1
149.05928	8.0
151.07462	4.2
155.07088	5.0
155.11772	13.9
159.02922	3.8
161.05937	2.7
162.03264	2.4
163.07523	10.6
163.08717	2.8
163.11194	2.8
164.11519	2.5
165.09119	28.2
167.07031	5.2
172.14362	3.6
175.11221	2.4
177.05479	100.0
178.05901	4.3
179.07005	2.8
181.08592	8.3
183.10118	5.8
191.07021	7.4
193.08632	28.8
194.12558	2.5
197.04469	8.3
199.09645	15.8
206.11743	10.8
207.06525	3.8
209.08067	13.6
211.09691	15.9
218.66219	3.4
227.09128	8.0
234.11258	41.7
237.07533	8.0
248.12901	3.6
251.13875	8.0
255.08643	96.1
262.15088	4.5
263.07303	2.7
269.10312	3.3
273.09625	4.9
304.13794	3.1
305.18631	23.0
307.05908	2.8
322.11169	7.2
322.21222	73.0
322.24350	3.9
323.09222	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04347	1.7
53.03947	4.6
55.01873	9.1
55.05508	9.9
56.96564	2.1
57.03426	7.2
63.17683	1.7
67.05495	7.3
69.03429	11.8
69.07068	10.4
69.38677	1.8
69.39005	16.6
70.06593	5.5
71.01347	2.5
71.05000	3.7
72.00015	2.0
72.07793	2.4
72.08160	33.0
78.18584	1.7
79.05495	30.1
80.05834	1.6
81.03419	5.1
81.07062	43.8
83.04961	6.3
83.08601	2.3
84.08122	3.9
85.02912	11.4
86.09708	2.5
91.05484	18.9
93.07052	12.0
94.07366	3.1
95.01334	14.8
95.04980	11.2
95.08606	7.1
97.02890	3.5
97.06540	23.1
98.20705	3.3
98.97569	3.8
99.04466	2.1
100.04733	2.0
100.07607	2.5
103.05476	3.4
105.07047	10.7
107.04927	7.4
107.08576	7.2
109.06526	27.2
109.10168	4.5
111.04472	4.0
111.08057	7.2
112.11224	4.1
113.02354	3.0
117.03400	12.2
117.06986	5.4
119.04930	7.7
119.08601	10.8
121.06479	7.5
121.10135	2.2
123.04459	3.4
123.08052	4.8
123.11790	1.9
125.02313	2.9
125.05981	6.0
127.03896	2.4
129.06969	3.6
129.13899	2.8
131.08582	5.3
135.04440	2.1
135.08058	6.4
137.05968	9.2
137.09627	4.1
139.03915	8.9
139.07523	3.5
141.01874	4.5
141.05458	2.9
145.02841	39.4
145.06453	2.1
147.04388	3.0
147.08075	10.4
147.11659	2.8
149.05962	6.3
149.09624	2.6
151.07579	4.5
155.07024	3.9
155.11784	6.9
159.02933	2.1
161.06018	3.8
163.07558	15.5
165.09128	25.0
167.07056	3.9
171.14937	2.2
173.05959	4.6
175.07567	4.6
177.05470	61.7
178.04918	1.8
181.08627	8.4
181.12166	2.4
183.10208	5.3
191.07022	6.2
193.08636	27.0
197.04436	5.8
199.09676	15.2
206.11726	4.7
207.06558	3.1
209.08168	10.9
211.09682	17.0
227.09155	8.8
234.11273	20.6
237.07565	5.7
251.14026	4.0
255.08673	100.0
256.09503	2.2
266.18680	1.6
268.71246	1.8
269.10254	2.8
273.09808	4.9
305.18637	9.2
322.11136	3.8
322.21255	47.0
322.24866	3.9
323.09042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03952	0.7
55.05521	4.0
57.07084	1.0
57.24475	0.4
60.04535	1.3
62.06096	100.0
65.03938	0.6
67.05511	15.3
69.07073	3.0
70.02956	0.6
71.10297	1.1
76.55389	0.5
79.05500	9.5
81.07067	16.4
83.08617	2.4
84.08126	0.5
91.05489	4.4
93.07053	12.7
95.05009	0.9
95.08613	13.4
97.06551	1.3
97.10195	0.8
98.06083	0.7
105.07050	3.2
107.08605	7.0
109.10167	5.5
110.90263	0.4
117.07043	1.0
117.29282	0.4
117.94522	0.5
119.08582	2.2
119.33163	0.4
121.10161	5.7
121.93916	0.5
123.11734	2.6
131.08588	2.6
133.10150	2.4
135.11716	3.6
137.13293	1.2
137.69402	0.4
145.10181	1.9
147.11763	1.5
149.13254	2.1
151.06580	0.4
151.14818	0.6
159.11766	1.6
161.13298	1.3
163.14876	1.8
172.13403	0.9
173.13344	1.1
177.16531	1.3
186.14981	0.8
187.14880	0.6
198.14948	0.5
200.16460	0.9
214.18130	0.5
226.18124	0.5
240.19588	0.5
243.21033	2.1
261.22189	3.4
291.19785	1.4
304.26416	2.3
305.24619	2.2
322.23807	0.4
322.27432	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05521	4.3
56.96568	2.2
57.07064	3.2
57.88536	1.0
60.04515	1.5
61.02921	1.2
62.06095	100.0
67.05508	17.7
69.07079	4.5
69.55773	5.6
72.08147	2.8
77.57384	1.0
78.82755	0.8
79.05501	12.3
81.07065	17.8
83.08616	2.2
91.05473	5.7
91.45718	0.9
93.07056	15.3
95.08617	15.3
97.06541	1.5
98.20683	1.8
98.97597	1.4
103.29607	0.8
105.07028	3.8
107.08607	9.1
108.08887	0.8
108.71606	0.8
109.10159	7.7
117.07027	1.3
119.08591	3.1
121.10139	7.2
123.11716	2.6
131.08571	3.6
133.10153	3.4
133.77151	1.0
135.11655	6.1
137.13283	2.1
140.03770	1.7
144.10237	1.1
145.02838	2.7
145.10129	2.2
147.11731	2.3
149.13243	2.6
151.14812	1.2
158.11879	1.1
159.11716	1.9
161.13269	2.0
163.14789	2.7
173.13292	1.8
177.05447	2.6
177.16403	2.1
186.14912	1.3
187.14824	1.7
200.90833	0.9
215.01646	1.0
228.19789	1.1
229.07567	1.6
234.11226	1.1
243.21123	5.3
259.46826	0.9
261.22159	8.2
304.26309	2.4
305.24811	2.7
322.21185	2.6
322.27423	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	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.7
55.41795	1.3
56.41832	1.4
57.07067	2.8
62.06097	100.0
64.14704	1.7
67.05164	1.9
67.05511	23.4
69.07063	7.9
71.08634	3.2
71.89560	1.6
72.08154	2.6
73.67779	1.4
74.43424	1.4
79.05495	14.2
81.07071	20.8
83.04980	2.0
83.08622	2.7
84.08160	2.1
91.05492	5.5
93.07041	16.5
95.08614	21.1
96.58712	1.5
97.10164	2.7
98.06082	3.8
98.09707	1.8
98.97600	2.1
105.07043	4.8
107.08613	10.2
109.10165	6.5
117.03384	1.7
117.07052	2.1
117.95543	1.5
119.08607	3.3
121.10152	6.0
123.11718	2.6
124.11229	1.6
131.08560	4.3
133.10210	2.7
135.08055	1.6
135.11668	6.1
145.02831	3.3
145.10136	3.7
147.11729	1.8
149.13226	3.0
152.07048	1.4
154.05998	1.6
159.11710	3.5
163.11180	1.6
163.14816	1.9
173.13327	1.9
177.05560	5.7
177.16435	3.9
196.13275	1.8
234.11386	1.9
243.21120	7.1
261.22180	5.4
304.23276	1.8
304.26483	3.6
305.24799	3.2
322.21451	3.6
322.27451	53.9
337.69388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43541	0.2
55.05503	0.4
65.03931	1.0
67.05492	0.5
69.07052	0.8
69.64965	1.4
79.05472	0.5
81.07058	1.0
83.04964	0.2
91.05481	10.8
93.07027	0.7
95.05003	0.4
95.08598	0.8
97.06522	0.2
98.21465	0.4
105.07059	0.5
107.04973	0.3
107.08609	0.5
109.10147	0.6
111.08114	0.2
115.03292	0.2
115.05428	0.4
117.05744	0.3
119.04943	26.9
119.08557	0.3
121.10117	0.5
121.90567	0.2
122.03704	0.3
123.11668	0.4
125.09574	0.3
130.06534	0.2
131.04936	0.2
132.08095	0.8
133.10153	0.3
137.05936	1.3
138.06288	0.7
147.04410	100.0
148.04739	0.8
149.06021	0.3
160.07579	16.1
161.05980	0.5
170.06085	0.3
171.09912	0.3
177.10265	2.1
184.07368	0.2
185.07928	0.4
198.09102	0.4
199.09439	0.9
200.07185	0.3
203.08351	0.5
231.08066	0.3
248.08253	0.2
280.07193	0.2
291.09906	0.4
293.09952	0.6
305.24927	0.3
306.11362	1.6
308.12372	0.3
323.09573	1.0
323.14868	4.1
323.25620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1392
Annotation	p-coumaroylserotonin
Peak:m/z	Relative Intensity
62.19038	0.3
65.03928	0.9
70.70158	1.1
80.38663	0.3
81.07092	0.3
91.04950	0.6
91.05490	9.5
93.07048	0.5
105.07020	0.5
107.04945	0.6
109.10151	0.4
115.05433	0.5
117.05676	0.4
119.04953	24.5
131.04936	0.4
132.08070	1.0
147.04417	100.0
148.04727	0.8
148.11111	0.3
160.07590	12.4
177.10277	1.8
203.08159	0.4
208.95488	0.4
238.53276	0.3
240.16275	0.3
257.87964	0.3
267.53479	0.3
306.11313	1.1
323.13690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01860	2.0
55.05512	6.9
56.96558	1.6
57.03424	1.8
57.07067	3.0
59.04973	1.4
65.03937	0.8
67.05502	11.3
69.03434	4.0
69.07066	17.5
70.06563	0.8
71.04980	2.6
71.08606	1.4
71.60037	0.7
72.08136	2.0
73.08484	0.8
79.05494	9.6
81.03391	2.0
81.07054	27.0
83.04975	3.9
83.08629	5.4
85.02913	1.1
85.06525	2.6
87.04454	0.9
91.05475	8.1
93.07040	22.2
95.04965	4.6
95.08605	24.3
97.02888	0.7
97.06525	5.3
97.10159	2.1
98.97578	2.2
99.04441	1.2
99.08073	0.9
103.05460	2.5
105.07027	9.5
107.04931	1.8
107.08600	10.1
109.02898	0.8
109.06514	6.3
109.10154	10.0
111.08096	4.6
111.11707	2.5
113.05994	0.7
116.98593	0.8
117.07038	0.8
119.04916	2.5
119.08584	4.9
121.02864	0.8
121.06509	1.4
121.10137	18.5
123.04469	0.7
123.08068	3.8
123.11699	7.6
125.06014	1.1
125.09617	4.1
127.07544	1.2
127.11206	0.8
129.06998	1.0
130.06589	0.8
131.04916	2.6
131.08614	3.8
133.06441	1.3
133.10144	5.1
135.08046	1.5
135.11685	3.9
137.05928	3.7
137.09610	4.1
137.13226	2.4
139.11188	6.0
143.08548	1.1
145.02809	1.8
145.10121	2.5
146.03224	0.9
147.04401	8.0
147.11691	3.8
149.06009	1.5
149.09599	2.4
149.13242	2.4
151.11166	2.4
153.12709	1.4
155.10664	0.8
157.10135	1.3
158.05983	0.9
159.11659	1.8
161.05986	3.7
161.09608	1.5
161.13220	1.7
163.07576	0.7
163.11192	1.0
163.14795	1.1
165.07007	1.0
165.12782	1.3
167.06973	1.1
167.10678	5.0
171.11694	1.0
173.13330	1.3
175.11223	0.8
175.14890	1.4
176.07086	2.0
177.05447	2.2
177.16475	0.6
178.05847	1.3
179.08540	0.9
179.10648	1.2
181.06522	0.8
185.11784	0.6
189.06947	2.0
190.07707	1.4
191.08566	2.5
199.07433	0.9
202.07774	1.8
203.08553	2.4
205.06502	1.7
206.07297	1.2
207.08070	5.2
207.09703	0.7
207.12102	0.6
208.08768	2.3
213.16364	0.7
218.07243	2.7
219.08060	5.9
220.05121	1.2
220.08846	1.2
221.05994	2.6
231.08009	4.6
233.05785	0.9
234.06737	4.4
235.07536	8.7
235.11435	1.2
235.20502	1.1
236.08250	2.8
237.05539	0.9
247.07515	6.4
248.04718	0.8
248.08330	3.0
249.05530	1.5
249.08887	1.0
249.11137	1.0
250.06229	1.2
251.10640	0.9
252.07967	0.8
259.07529	2.8
259.24500	0.8
260.08456	0.8
261.09048	0.9
262.06281	4.4
263.07013	5.5
263.10590	1.5
264.07846	3.3
265.04861	0.9
265.08533	3.1
267.10168	0.9
269.22623	0.8
276.07864	1.6
277.08539	9.2
277.11215	1.0
279.10135	2.4
280.07281	1.2
287.23639	2.4
290.09204	0.8
291.06479	2.0
291.10150	3.8
292.10776	1.0
293.08038	1.1
294.09787	0.7
295.09653	2.3
305.14008	0.7
305.17267	0.9
305.24710	6.1
306.18961	0.7
308.06677	1.2
308.10175	1.5
323.09061	20.4
323.14603	100.0
323.25461	8.6
324.09378	1.0
324.14835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.9
55.05500	22.2
56.96560	9.6
57.03428	13.5
57.07064	17.4
67.05511	61.4
69.03418	7.1
69.07061	20.2
71.08610	6.3
71.60311	8.6
71.60677	7.8
71.69600	7.4
79.05499	39.1
81.07061	100.0
83.04977	11.5
83.08630	7.9
83.64471	6.3
85.06532	13.8
87.36848	5.9
91.05482	31.6
93.07036	36.3
95.04954	33.5
95.08615	53.6
97.06516	9.8
97.10155	12.1
98.97588	13.3
105.07054	15.4
107.08585	30.3
109.06511	46.9
109.10155	24.3
113.06005	29.7
116.98586	7.4
117.07008	8.3
119.08609	11.9
121.06500	8.6
121.10145	29.8
123.08086	10.1
123.11665	10.2
129.07010	7.9
131.08568	9.9
133.10132	12.5
135.08046	25.9
135.11662	19.1
137.05975	7.5
139.11163	7.5
144.35168	6.4
145.10185	17.1
149.13181	7.4
157.10081	8.6
159.11646	10.4
161.13295	7.3
165.09148	6.4
171.11690	9.5
180.97577	7.1
221.15358	16.8
260.85852	8.9
273.18521	13.2
277.62573	7.3
291.19568	24.8
323.27289	6.7
329.59912	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01875	13.7
55.05254	3.5
55.05511	46.1
57.03432	6.5
57.07073	4.7
65.03927	3.9
67.05508	80.5
67.63090	2.2
69.03432	6.7
69.07073	28.7
69.43488	5.1
69.43901	14.5
71.04980	9.1
71.08630	5.9
73.06562	3.2
79.05498	55.7
81.03427	5.1
81.07063	100.0
83.01332	3.5
83.04984	52.3
83.08603	14.9
85.02898	3.0
85.06541	8.0
91.04950	4.1
91.05482	52.9
93.07051	56.5
95.04971	16.0
95.08613	57.2
97.06548	11.8
97.10170	10.8
98.21454	5.3
99.08087	5.2
105.07037	50.5
107.04986	12.7
107.08594	47.1
108.84003	2.4
109.06540	12.2
109.10158	49.9
111.04462	6.4
111.08070	13.2
117.07026	12.4
119.08582	27.7
121.06518	11.0
121.10139	20.9
123.04414	3.8
123.08072	9.8
123.11718	19.0
125.05994	3.0
125.09618	3.9
129.06993	7.2
131.08582	20.5
132.76790	2.3
133.06500	15.1
133.10138	68.3
135.08069	11.0
135.11685	11.1
137.09604	4.6
139.07536	10.2
139.11287	2.9
143.08554	9.8
145.10124	13.4
147.08038	12.4
147.11768	12.7
149.09584	11.6
149.13237	4.5
151.07588	2.8
151.11201	65.9
153.12755	3.3
157.10133	7.4
159.08041	5.3
159.11760	6.4
161.09647	12.2
161.13290	3.6
163.11133	3.9
165.12816	3.2
171.11705	10.1
173.13303	3.5
173.69055	2.4
175.11197	11.2
177.09117	9.3
177.12747	4.8
179.10706	9.2
183.11897	2.9
183.13808	18.1
185.13206	5.4
193.12157	4.4
199.11136	4.1
203.14337	4.5
213.12759	3.3
217.12279	2.7
223.13263	3.3
227.17865	2.7
229.14375	3.1
234.11299	2.5
245.19040	16.7
254.22232	2.6
255.17378	5.8
263.20084	12.0
273.18549	34.4
287.88770	2.6
291.19550	55.5
305.21307	13.3
323.15756	2.4
323.22168	32.6
323.25906	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01881	6.0
55.05516	27.8
57.03430	1.7
57.07061	1.1
57.83846	0.9
59.04993	1.2
62.06086	8.8
67.05161	1.3
67.05508	20.6
69.03437	5.6
69.07077	14.8
69.76395	0.9
71.04989	1.6
71.12077	1.0
71.12415	1.5
79.05498	17.7
81.03410	3.1
81.07066	18.1
83.04985	2.0
83.08624	14.1
91.05488	12.6
93.07057	14.4
95.04964	6.4
95.08613	13.1
97.02915	2.4
97.06546	2.2
97.10181	20.2
98.97552	1.1
105.07034	9.7
107.04955	4.2
107.08606	13.6
109.06480	2.0
109.10176	5.6
111.08098	1.9
117.07032	4.1
119.04930	1.5
119.08582	8.0
121.06494	2.9
121.10152	4.8
123.04421	1.3
123.08063	4.0
123.11694	2.3
125.09647	19.3
129.06995	2.6
131.08574	6.2
133.06471	3.7
133.10170	2.6
134.07236	1.2
135.08067	6.1
135.11687	2.4
137.09595	3.1
143.08574	2.1
143.47778	0.9
144.37688	1.1
145.06471	1.1
145.10130	5.1
147.08009	4.1
147.11700	2.8
149.09557	1.2
149.13184	1.4
153.09081	3.4
157.10118	2.2
157.12225	1.2
159.11703	1.4
161.09572	2.3
162.10335	1.1
163.11128	2.1
165.09155	2.5
171.11713	1.8
175.11180	2.5
177.12657	1.2
182.50388	1.0
185.13258	1.2
189.11194	1.0
203.12791	8.0
206.03911	1.3
223.13312	9.6
245.19073	1.7
249.15031	1.5
255.17339	1.1
273.18542	7.9
277.11096	1.0
281.47040	1.1
291.19565	100.0
305.21191	21.7
305.24606	2.2
323.22205	5.2
323.25540	0.8
323.27808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21332	1.8
53.03934	4.0
55.01868	7.3
55.05257	2.5
55.05511	38.3
55.85643	2.3
57.03420	9.4
57.07080	4.2
58.00923	2.1
67.05502	35.1
69.03414	7.4
69.07070	26.4
70.16016	1.9
71.04975	5.3
71.36298	3.8
71.41704	2.3
79.05497	33.8
81.03428	4.8
81.07050	43.1
83.04968	6.5
83.08620	22.4
85.06525	4.6
91.05485	17.5
91.58549	1.8
93.07035	23.8
95.04963	19.4
95.08610	34.4
97.02864	4.0
97.06512	6.9
97.10172	30.7
99.08091	2.4
102.47461	2.3
105.07031	15.3
107.04917	5.9
107.08595	22.6
109.06510	8.1
109.10156	22.4
111.08043	4.3
114.34775	1.9
116.98627	2.0
117.07034	4.6
119.08598	16.3
121.06485	4.6
121.10132	11.7
123.08072	11.1
123.11700	6.1
125.09636	30.1
129.06967	5.1
131.08601	6.4
133.06451	5.0
133.10126	8.6
135.08035	9.7
135.11687	5.9
137.05937	2.6
137.09607	5.1
143.08537	5.2
145.10161	9.8
147.08058	8.0
147.11699	6.2
149.09634	3.4
149.13217	2.7
153.09065	5.7
157.10135	4.8
159.11647	3.0
161.09622	3.2
163.11195	3.4
163.14726	2.2
165.09079	4.2
171.11650	2.4
173.13234	2.1
175.11205	3.5
181.12256	2.9
183.11795	2.2
189.12773	2.6
190.18213	2.0
193.12164	2.8
203.12816	18.0
217.12466	2.3
223.13268	12.4
225.14708	3.4
237.14775	2.5
255.17400	2.8
273.18469	15.3
291.19559	100.0
305.21066	22.7
305.24753	19.9
323.22134	11.0
323.25806	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03937	1.2
54.45466	1.0
55.01868	6.2
55.05511	6.3
56.96568	1.2
57.03438	26.0
57.07082	1.7
58.64186	1.0
59.55053	1.1
65.03938	2.1
67.05502	27.6
69.03430	1.1
69.07061	4.0
71.04961	1.7
78.52390	1.1
79.05492	14.8
81.03426	2.1
81.07057	19.3
83.04980	5.6
83.08642	1.7
85.02924	2.3
85.06546	27.8
91.05478	11.9
93.07056	13.7
95.04974	33.9
95.08607	9.6
97.06529	1.6
97.10169	2.2
98.97560	1.2
99.04424	1.8
105.07054	8.5
107.04967	2.8
107.08607	8.4
109.06522	25.8
109.10162	4.1
111.04453	7.4
111.08080	2.1
113.06010	100.0
115.05469	1.6
117.07018	7.9
119.08590	8.6
121.06532	3.2
121.10106	3.2
123.08056	2.9
123.11713	1.3
125.09618	1.6
129.06989	3.6
130.07808	1.3
131.08592	8.9
133.06543	1.2
133.10112	3.7
135.08046	21.8
135.11690	3.8
137.09702	1.6
143.08557	2.5
145.10129	7.3
147.08051	3.3
147.11697	1.8
149.09618	3.1
153.12730	2.4
157.10083	3.3
159.11668	3.4
161.09578	3.3
163.11174	4.7
165.08983	1.5
171.11664	1.8
173.09636	1.3
175.11203	1.4
175.21687	1.1
177.12712	2.2
181.12280	3.4
184.23911	1.1
191.10707	3.3
199.14861	3.2
201.12802	1.8
217.15938	7.6
227.12793	4.2
255.17393	2.2
267.12704	1.5
273.18469	17.3
291.19547	49.1
305.21075	3.3
323.26193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01876	8.4
55.05514	28.2
57.03430	3.5
57.07074	4.6
59.04999	2.3
67.05162	2.6
67.05511	44.5
69.03426	5.8
69.07076	20.1
69.87148	7.2
71.04996	3.8
71.08615	1.9
79.05505	34.5
81.03420	3.2
81.07064	54.7
83.01353	3.0
83.04982	18.1
83.08640	9.5
85.06556	6.0
85.92679	1.6
91.05487	42.1
93.07056	55.0
95.04987	15.3
95.08617	30.2
97.06524	7.2
97.10187	5.2
98.21468	3.2
103.05495	2.5
105.06369	3.1
105.07038	48.0
107.04951	8.6
107.08602	60.9
109.06527	12.0
109.10166	29.9
111.04456	5.3
111.08116	8.3
115.05516	2.8
117.07035	6.1
119.08605	19.5
121.06522	22.0
121.10173	9.7
123.04439	7.1
123.08070	8.5
123.11701	8.8
125.05993	3.7
125.09621	1.9
128.06215	3.1
129.07031	6.3
131.08607	10.7
133.06532	7.3
133.10141	89.9
135.08072	6.3
135.11697	20.1
137.05972	3.8
137.09639	7.3
139.07541	8.4
143.08545	6.0
145.10149	9.5
145.12259	3.3
147.08043	9.5
147.11682	6.6
149.09642	6.2
151.07549	2.8
151.11189	38.4
151.12334	3.4
153.09059	2.2
157.10170	5.1
159.08058	4.3
159.11705	3.4
161.09627	37.5
161.13297	5.7
163.11197	5.3
165.09061	2.3
165.12720	2.3
167.31326	1.8
171.11739	6.0
173.09802	2.3
173.13330	2.1
175.11197	6.1
177.09087	3.4
179.10690	100.0
181.08591	2.1
181.10175	2.5
183.13763	10.5
189.12808	3.9
192.88121	1.7
197.11794	3.4
199.11276	1.8
203.14268	2.0
207.13858	2.7
213.12816	2.0
217.12273	4.0
227.17879	2.0
245.19054	10.6
255.17558	2.9
263.20010	13.8
273.18518	25.7
291.19574	57.6
305.21161	5.3
311.04745	2.2
323.22379	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
52.46965	0.8
53.03946	1.4
55.01861	2.7
55.05285	0.8
55.05511	7.0
56.96563	1.6
57.03436	6.8
57.07056	1.4
59.04992	1.8
65.03932	1.9
67.05166	1.5
67.05508	24.8
68.19635	0.7
69.03415	2.1
69.06718	1.2
69.07071	21.4
71.04998	7.3
71.60279	0.8
73.06558	8.9
79.05491	14.7
81.03419	1.7
81.07063	15.5
83.04984	4.0
83.08605	3.6
85.06546	6.4
91.05477	15.9
93.07052	17.7
95.04517	0.8
95.04974	8.7
95.08030	1.3
95.08605	14.7
97.06506	2.6
97.10135	1.4
98.97573	1.5
99.08096	100.0
105.07031	14.6
107.04951	3.4
107.08601	12.8
109.05782	1.0
109.06522	19.6
109.10131	4.5
109.19028	0.8
111.08076	3.7
113.05999	3.4
115.05426	1.4
116.98621	0.8
117.07040	6.3
119.04939	1.7
119.08594	11.2
121.06487	3.5
121.10144	7.7
123.08070	5.8
123.11714	1.3
125.05950	1.1
125.09646	1.4
126.09867	0.8
127.07539	2.9
128.06218	1.5
129.07019	4.0
130.07755	1.2
131.08574	10.6
133.06552	1.8
133.10138	7.1
135.08049	11.8
135.11719	3.9
137.05966	2.0
137.09618	2.6
139.07431	0.9
141.09100	2.9
143.08571	5.2
145.10114	8.2
147.04395	2.2
147.08075	3.5
147.11647	3.5
149.09619	6.2
149.13184	1.8
153.09042	1.3
157.10161	4.9
159.08098	1.2
159.10359	0.8
159.11699	4.4
161.05981	2.4
161.09656	6.1
161.13266	1.6
163.11258	4.0
165.09200	1.1
169.10051	1.8
171.11674	3.0
173.09566	1.1
173.13290	2.4
175.11180	3.4
177.12691	1.2
179.14297	1.0
181.10057	1.2
183.11722	1.3
185.13377	1.7
189.12679	1.9
195.11682	1.6
197.13237	1.1
199.11197	1.1
199.14796	2.0
201.12743	1.4
207.08098	1.1
211.14871	1.0
217.15849	6.2
219.08107	1.2
227.17970	1.8
230.24478	0.8
231.08069	1.0
235.07552	1.1
235.16859	1.7
237.16331	2.5
245.19044	3.0
247.07581	1.1
248.08731	1.1
249.18578	1.4
255.17451	3.1
262.06348	1.3
263.20047	1.2
264.07712	1.2
273.15781	1.6
273.18527	18.2
277.00885	1.1
277.08585	2.4
279.09940	0.9
287.20059	2.0
291.10129	2.4
291.19559	13.3
305.13724	0.9
305.17740	2.0
305.21094	11.0
323.05643	1.5
323.09100	4.7
323.12805	2.7
323.18475	1.4
323.22037	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	323.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01870	20.9
55.05517	45.6
56.96540	5.2
57.03415	11.2
57.07066	4.3
65.03971	4.6
67.05161	4.5
67.05503	60.4
69.03417	14.4
69.07072	34.3
71.04975	6.6
71.61379	5.2
79.05496	67.2
81.03424	22.6
81.07059	100.0
83.04986	23.4
83.08624	30.1
85.02885	6.9
85.06537	7.0
86.46931	3.6
91.05474	31.8
93.07039	47.8
95.04968	30.2
95.08602	37.2
97.06531	24.3
97.10178	35.8
98.97593	9.8
105.07030	35.6
107.04957	14.4
107.08594	36.3
109.06533	26.2
109.10173	23.1
111.04452	18.3
111.08065	13.0
117.06993	12.3
119.08569	24.4
121.06461	6.2
121.10159	17.0
123.08075	31.3
125.09638	42.3
127.07500	4.9
127.28614	3.5
129.07014	5.4
130.07800	3.7
131.08577	19.7
132.31874	4.0
133.06473	4.8
133.10117	14.0
135.08049	12.2
135.11708	17.1
137.09705	16.1
143.08577	7.9
145.10170	21.3
147.08032	13.9
147.11667	10.5
149.05998	4.9
149.09641	16.6
149.13232	6.4
151.11185	5.4
153.09122	7.0
153.12738	5.9
157.10129	9.7
159.11691	10.4
161.09604	5.9
163.11192	59.9
165.09106	14.4
165.12727	3.3
169.10176	4.1
175.11220	8.5
177.12726	8.3
181.12309	5.8
189.11186	6.3
191.10631	6.6
193.12215	15.2
203.12793	9.5
207.08055	5.6
219.08002	4.8
227.12804	5.0
228.09258	3.9
234.06772	4.5
235.07518	8.5
247.07596	4.9
255.17494	5.9
262.06326	7.1
264.07764	7.3
265.08734	4.4
273.18546	26.0
277.08557	9.4
277.21338	4.1
291.19525	69.8
305.21094	19.4
323.09021	20.6
323.14590	22.3
323.18503	20.7
323.22128	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	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03947	6.3
55.01866	5.3
55.05510	28.3
57.03438	8.1
57.07086	10.9
59.04998	4.1
62.04790	2.2
67.05505	36.4
69.03439	18.0
69.07069	75.7
69.07446	4.0
70.87254	5.1
70.87625	5.3
71.04996	12.6
71.08630	3.6
78.32154	2.0
79.05492	37.1
81.03405	5.6
81.07062	90.0
83.04984	6.8
83.08625	17.7
85.06557	8.3
86.27239	2.1
87.04457	3.1
91.05491	26.0
93.07050	100.0
93.71059	2.7
95.04990	17.1
95.08611	92.9
95.09227	4.4
97.06531	13.3
97.10168	7.4
99.08099	3.1
105.07042	23.7
107.04944	3.4
107.08591	41.4
109.06532	13.5
109.10155	40.2
111.08089	9.5
111.11726	9.8
117.07037	3.6
119.04900	2.6
119.08582	18.8
121.06506	3.4
121.10145	75.8
121.85687	2.1
123.08065	11.6
123.11702	24.4
125.09639	14.5
131.08556	12.8
133.10130	18.6
135.11714	14.6
137.05992	2.9
137.09593	11.2
137.13268	6.0
139.11205	24.9
143.08536	2.7
145.10147	3.2
147.04411	7.3
147.11696	8.9
149.09612	13.8
149.13312	4.6
151.11172	7.1
153.12729	8.5
155.10689	3.0
157.10130	2.8
159.11703	6.0
161.09602	4.0
161.13313	5.2
163.11188	4.2
165.06969	3.2
165.12796	4.9
167.10698	30.6
175.14850	4.1
177.16399	3.1
181.06604	3.5
189.07060	4.3
190.07735	4.7
191.08603	3.2
193.12375	2.7
203.18042	2.5
205.06458	3.6
207.07999	16.4
208.08783	5.6
218.07239	4.1
219.08025	13.2
220.05132	4.7
221.05965	6.7
231.07941	5.2
233.06084	2.3
234.06702	14.1
235.07565	26.0
235.20596	7.0
236.08327	5.4
237.05498	2.3
245.22813	2.7
247.07520	20.3
248.08348	3.9
249.05531	3.5
261.09207	2.9
262.06281	10.0
263.06970	22.2
263.10916	2.9
264.07864	12.2
265.08527	7.3
267.09985	4.2
269.22482	2.6
277.08600	26.9
277.25430	2.8
279.10071	5.4
280.07208	5.9
287.23694	11.4
291.06488	7.7
291.10040	4.8
295.09741	3.2
305.24783	17.1
308.06824	3.6
323.09195	72.2
323.14532	19.1
323.18332	4.3
323.21973	2.8
323.25784	43.3
324.09521	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	324.1959
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03934	0.8
56.96575	0.4
67.05492	0.5
67.85555	0.3
69.07066	0.4
71.60971	0.4
79.05498	16.9
81.07067	0.6
85.62874	0.3
88.90249	0.3
91.05482	1.0
91.07904	0.2
92.64437	0.3
93.07040	1.6
95.04971	0.4
95.08582	0.4
103.05476	34.2
103.34931	0.3
105.04463	0.4
105.07049	2.8
107.04961	18.9
107.08582	0.5
109.06489	0.2
118.06554	5.0
119.08585	0.6
121.06494	1.1
131.04936	11.6
132.08090	1.6
133.08862	0.8
133.10069	0.3
135.23320	0.3
146.09683	1.7
149.05984	0.6
156.52991	0.3
160.11243	0.9
176.14359	45.5
189.15100	0.5
192.48840	0.3
233.14220	0.6
257.10602	0.3
280.13303	0.4
294.14880	0.3
301.07220	0.3
301.13159	0.8
306.17838	0.5
324.19598	100.0
325.19922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2898
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05254	0.4
55.05517	5.1
57.07080	1.4
60.04527	0.6
61.80887	0.4
61.88868	0.4
62.06091	100.0
65.03946	0.7
67.05505	17.1
69.03456	0.4
69.07071	6.1
70.02962	0.8
70.72307	0.3
70.84867	0.4
70.85196	0.7
79.05497	3.6
81.07058	17.2
81.78514	0.3
83.04980	0.5
83.08625	2.7
85.06534	0.4
88.73483	0.3
91.05482	2.5
93.07043	3.8
95.08609	13.0
97.06531	1.0
97.10161	1.7
98.06029	0.4
99.04456	0.4
105.07041	2.3
107.08589	2.5
109.10160	5.0
111.08086	0.7
119.08601	1.5
121.10143	2.1
123.11714	2.2
127.54494	0.4
133.10097	1.6
135.11746	0.7
137.13281	0.8
147.11705	0.9
151.14894	0.5
158.11754	0.4
161.13281	1.0
163.14796	0.6
165.16338	0.5
175.14825	0.9
179.17836	0.4
189.16396	0.6
245.22620	1.9
263.23779	1.7
291.26196	0.4
306.27881	3.3
307.26224	3.9
324.28995	15.0
325.29330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.68490	1.1
55.01865	1.6
55.05507	1.6
56.96556	1.6
57.03420	1.4
65.03940	1.5
67.05501	2.6
69.03428	2.6
70.06583	1.9
71.60562	1.8
72.08160	1.7
72.63377	1.2
79.05490	5.6
81.03411	5.2
81.07054	2.7
83.04984	1.7
84.04533	1.5
84.08141	3.2
85.02914	15.2
85.06544	2.0
86.09689	2.6
89.03939	1.5
91.05476	7.2
93.07079	1.4
94.04196	1.2
95.04965	6.9
97.02866	1.8
98.97581	3.1
103.05481	2.7
105.07008	1.4
106.12955	1.2
107.04960	100.0
109.02898	2.9
111.04485	1.3
115.05436	5.2
115.06152	1.2
116.98618	1.1
117.03391	1.8
117.07032	3.0
119.04971	3.2
120.08076	1.1
121.02877	29.7
121.06514	1.2
121.76427	1.3
122.03658	2.9
123.04455	6.4
124.07645	1.4
127.03950	1.7
128.06348	1.3
129.59532	1.2
131.04935	4.4
133.02914	2.7
135.04411	5.2
137.05981	29.9
143.04912	5.2
144.05685	9.8
145.02853	2.6
145.05008	1.2
145.06474	3.1
146.06082	1.1
147.04439	1.5
147.09235	1.6
149.05901	1.1
151.03951	1.3
152.07050	2.7
152.14388	1.6
157.06487	2.4
159.04431	1.4
160.05180	7.2
162.06755	1.5
163.03908	14.6
163.07529	1.4
165.05515	1.9
165.06996	1.9
167.07159	2.5
167.08432	1.1
171.04410	2.1
172.05197	12.2
173.05963	1.9
173.55856	1.3
174.06776	2.7
175.03967	2.2
175.07545	16.7
178.07805	3.8
179.08643	1.5
181.04936	6.3
181.06479	4.6
182.07225	1.1
187.07555	94.9
188.08241	3.7
189.07054	1.6
190.07748	1.3
191.08415	3.5
193.10123	1.7
194.07361	1.2
195.08064	2.8
198.06815	2.2
201.05490	4.9
202.07777	2.8
203.03267	1.1
203.07082	2.7
203.08662	2.7
205.06523	4.5
206.07256	2.8
207.08151	7.1
210.06770	6.8
218.07349	2.7
219.06288	2.0
219.08229	7.5
220.08849	1.8
221.06062	1.5
221.09685	10.0
223.07436	7.3
226.06226	3.3
231.06258	7.0
231.08467	2.5
233.06096	1.8
234.06772	4.7
235.07553	4.4
236.08362	3.5
237.09093	3.3
238.06197	1.4
241.08615	29.6
247.07562	8.7
248.08348	4.4
249.09161	12.7
250.09972	2.4
251.07043	6.2
252.07803	4.8
253.08369	1.2
263.10690	2.5
264.07935	1.9
265.08597	1.3
266.09387	10.7
267.10187	10.1
279.10172	6.1
281.11740	14.8
307.09558	4.8
325.06989	3.9
325.10663	13.1
325.13699	2.1
325.17203	2.3
325.24942	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	325.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01868	2.1
55.05513	1.1
55.92191	1.0
56.96558	1.3
57.03438	2.4
59.93880	1.1
64.03806	1.2
65.03941	1.1
67.05506	1.3
69.03432	3.8
69.50527	2.7
69.50953	5.0
70.06595	3.4
73.02929	1.5
76.69817	0.9
77.03904	1.3
79.05486	5.1
81.03424	6.3
81.07066	1.7
83.04982	1.6
84.04503	1.4
84.08147	2.7
85.02916	21.6
85.25585	1.1
86.09737	1.4
89.03899	1.2
91.05502	6.0
95.04980	5.5
97.02882	2.8
97.06564	1.3
98.21228	4.1
98.97581	2.5
103.05473	3.3
105.07014	1.4
107.04961	100.0
109.02876	3.2
109.06496	2.2
111.04436	1.6
115.05469	5.8
117.03358	2.2
117.07040	2.7
119.04952	3.8
119.08561	1.3
121.02876	25.9
122.03690	2.7
123.04430	5.2
127.03908	2.8
129.07047	1.2
131.04936	5.1
133.02850	2.6
135.04427	7.6
136.07643	1.1
137.02368	7.0
137.05988	31.9
137.07050	1.6
140.07065	1.6
143.04956	6.3
143.05919	1.3
144.05724	10.9
145.02855	2.6
145.04984	2.7
145.06494	2.9
147.04404	1.6
151.03972	1.4
153.06894	1.3
157.06459	1.5
158.99712	1.2
159.04463	3.1
160.05194	8.8
161.05975	1.6
163.03911	16.4
163.07581	2.9
165.07057	2.0
171.04440	3.3
172.05261	10.5
173.05995	3.0
174.06772	3.8
175.03853	2.1
175.07562	19.8
177.05482	2.1
178.07808	3.3
179.07086	1.2
179.08594	1.7
181.04942	5.7
181.06529	5.9
187.07558	97.9
188.04623	1.1
188.08185	3.1
189.05533	1.3
191.08464	2.1
193.10188	1.8
195.08098	2.1
197.06004	2.6
198.06792	2.6
199.03864	1.3
201.05418	3.7
202.07825	3.2
203.06970	2.9
203.08569	4.1
205.06522	5.2
205.08282	1.3
206.07352	2.9
207.08075	8.1
209.06024	1.6
209.09610	1.2
210.06776	5.1
211.07538	1.6
215.03513	1.6
216.04161	1.3
218.07239	1.6
219.06277	2.0
219.08252	6.7
220.08774	1.4
221.06006	1.3
221.09631	11.8
223.07475	5.9
224.08359	1.8
226.06319	5.1
231.06354	9.1
231.08522	1.9
233.06044	2.7
234.06688	5.7
235.07565	4.8
236.08339	3.4
237.05569	3.5
237.09137	1.5
238.06186	2.0
238.09987	1.2
240.07867	1.5
241.08617	29.7
247.07491	8.2
248.08293	4.6
249.09099	10.8
250.06255	1.6
250.09787	2.2
251.07057	4.7
252.07767	6.0
259.06076	1.1
263.07080	1.9
263.10645	3.0
264.07825	2.8
265.04871	3.0
265.08566	1.3
266.09418	11.9
267.10150	11.1
279.06516	4.4
279.10110	8.5
281.11786	14.0
282.05206	1.4
283.06152	3.8
293.07950	1.7
297.07828	1.4
307.06204	1.8
307.09674	4.1
325.07104	10.1
325.10620	8.7
325.13754	1.4
326.11017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03945	1.2
55.01876	0.6
56.96563	0.8
57.03214	0.5
57.03440	5.2
61.02930	2.8
67.05494	0.6
69.03434	10.3
69.07063	0.6
69.90311	2.5
71.01343	1.4
71.04984	2.1
73.02917	1.4
75.04486	1.0
78.94003	0.6
81.03407	1.6
84.08158	0.8
85.02903	2.8
87.04472	0.7
91.05472	3.1
97.02901	1.2
98.97591	1.2
99.04462	3.6
107.04968	0.8
107.08643	0.5
107.90059	0.5
109.02877	0.9
117.03381	0.6
118.06536	2.2
119.04956	0.6
120.08151	0.8
121.02811	1.0
123.04459	0.7
127.03896	0.8
130.04991	2.0
132.06830	1.9
133.02818	0.7
137.06029	1.4
145.05045	0.9
145.07617	9.5
146.08392	0.8
147.09177	92.9
148.09363	0.6
152.14352	1.8
153.42055	0.7
159.09198	4.0
160.09966	1.6
161.10724	0.6
163.03938	2.9
173.07185	1.1
181.04935	1.5
185.10677	0.9
189.10216	1.2
191.08163	100.0
199.08693	0.8
199.12341	0.8
201.05594	0.7
215.11832	0.6
263.13910	2.5
281.14984	49.1
281.18393	2.7
282.15277	0.6
289.11789	0.9
307.12875	8.2
308.12796	0.8
312.18610	0.6
325.13965	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	Glabridin
Peak:m/z	Relative Intensity
53.03930	1.5
55.05480	1.9
61.46993	0.9
65.03917	1.6
67.05482	3.2
69.03410	2.5
69.07047	3.0
71.04994	1.7
71.61201	1.1
79.05491	5.0
81.03434	4.6
81.07056	6.6
83.08605	1.7
85.02897	1.3
85.06515	2.1
91.05476	12.0
93.07011	3.6
94.04167	2.3
95.04965	2.2
95.08619	5.7
95.29399	0.9
97.06499	0.9
103.05473	7.5
104.06195	2.1
105.07038	4.7
107.04972	4.5
107.08579	3.8
109.02869	2.1
109.06484	3.6
109.10114	2.7
111.08057	2.2
115.04655	1.3
115.05448	10.5
116.06290	0.9
117.07034	9.0
119.04893	1.3
119.07872	1.0
119.08585	10.2
121.06504	1.8
121.10117	1.5
122.03642	6.5
123.08055	1.1
123.11681	1.7
128.06168	3.8
129.07013	11.7
131.04935	16.8
132.05705	5.9
133.02794	3.0
133.06398	1.6
133.10077	1.3
135.04375	3.0
135.11635	1.3
137.05983	90.8
138.06262	1.2
141.06989	14.6
145.02876	1.2
145.06474	3.6
147.04446	1.2
147.08052	29.3
149.05893	1.1
151.07549	1.0
157.06432	3.3
157.13947	0.9
158.07196	1.1
159.08026	1.9
160.05228	5.0
160.07552	2.7
161.05988	7.5
161.13133	1.1
163.03906	9.4
163.07558	17.4
169.05174	1.8
169.06500	23.8
170.07109	1.0
173.06017	1.5
175.07556	100.0
176.07814	1.0
181.04980	4.5
186.03079	1.0
186.06717	3.3
187.07520	4.1
188.08354	2.1
189.09108	11.5
201.05374	2.1
201.09140	11.0
205.06364	1.9
205.10080	1.5
208.38133	1.0
215.08423	1.5
218.07152	1.3
219.08060	1.4
221.15405	0.9
222.06580	1.7
233.05940	1.5
233.09492	3.8
237.08965	1.4
247.07594	1.2
249.05310	1.5
250.06111	2.1
250.09732	1.3
261.08963	3.5
265.08508	2.5
265.12082	3.5
282.08362	1.0
292.07245	3.0
293.07849	3.6
293.11414	4.2
307.09494	4.0
325.06976	2.3
325.10651	5.5
325.14224	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	325.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
54.44473	0.4
55.01876	1.2
55.05510	3.3
56.96566	1.2
57.07064	1.6
59.04993	0.7
61.02925	0.5
65.03947	0.5
67.05505	5.1
69.03440	2.6
69.07072	7.6
69.77995	2.5
70.06607	0.6
71.04992	1.5
71.08646	0.8
72.08138	0.5
79.05496	5.1
81.03445	3.0
81.07062	15.3
83.04978	1.9
83.08619	2.4
84.04498	0.8
85.02901	3.2
85.06548	2.3
91.05479	5.6
92.46112	0.5
93.07057	5.6
95.04985	1.5
95.08614	9.7
97.02894	1.0
97.06535	1.9
97.10179	0.8
98.21471	0.5
98.97602	1.2
99.04486	1.2
99.08092	0.9
103.05501	0.9
104.60670	0.5
105.07031	4.4
107.04961	2.2
107.08609	6.5
109.02848	1.1
109.05301	0.4
109.06541	1.7
109.10155	5.1
111.08090	4.6
111.11746	1.2
115.05489	1.3
116.98597	0.6
117.07027	1.6
119.04960	1.9
119.08589	3.1
120.05261	0.7
121.02929	0.8
121.06548	0.6
121.10129	4.0
122.03671	0.6
123.04420	0.8
123.08076	1.0
123.11722	6.0
125.05943	0.5
125.09653	1.6
125.18709	0.5
127.03933	0.7
129.06969	0.7
130.05042	0.9
130.06532	0.7
131.04947	1.5
131.08603	1.1
133.02872	3.0
133.10141	2.0
135.04434	1.7
135.08063	1.5
135.11699	3.7
137.05988	9.0
137.09648	0.8
137.13316	1.1
139.11215	2.4
141.07063	1.1
143.04935	0.7
143.08534	0.5
145.02843	0.8
145.06540	0.6
145.10162	1.2
147.04427	3.1
147.08049	2.3
147.11722	1.3
148.04727	2.8
149.04973	1.5
149.06036	0.7
149.09633	0.7
149.13286	3.1
151.11186	1.3
153.12758	1.4
158.99718	0.5
159.11713	1.0
160.07651	0.7
161.06018	1.4
161.07982	0.5
161.13269	1.2
163.03912	4.8
163.07565	2.1
163.11203	0.7
163.14862	1.1
165.06952	0.8
165.12750	0.9
169.06519	1.2
173.06010	1.0
175.04095	0.7
175.07550	6.1
175.14919	0.7
177.06999	0.6
179.14360	0.5
181.04968	2.4
186.03186	0.7
187.07593	1.5
189.09134	1.0
191.08603	0.5
193.15968	0.5
194.07285	0.9
199.03908	0.8
201.05519	2.0
201.09142	0.7
205.06493	2.9
207.08124	0.6
219.08139	1.2
221.06081	1.0
221.09578	0.5
222.06725	1.0
223.07764	0.5
233.05952	2.3
233.09833	0.6
233.15392	0.9
235.07695	0.5
237.09096	1.3
239.07071	0.9
243.59132	1.0
247.07585	1.1
249.05588	1.0
250.06320	2.1
264.07910	1.1
265.08536	3.2
269.12338	1.2
273.09351	0.4
277.05081	0.6
278.05804	1.0
282.08844	0.7
289.25381	0.7
292.07413	1.5
293.08182	3.6
293.11179	0.8
295.09467	0.5
295.47495	0.4
297.11508	1.0
307.09644	4.0
307.15164	4.3
307.26205	1.2
308.12796	0.6
310.08276	0.9
325.07263	1.9
325.10599	5.5
325.16290	100.0
326.16666	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	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87803	2.8
53.03934	7.7
55.01865	10.5
55.05512	33.4
56.96566	4.5
57.03426	13.2
57.07065	5.5
58.98361	2.9
63.95618	3.0
67.05505	53.6
69.03439	6.3
69.07070	19.2
71.04979	9.9
71.59499	6.0
79.05489	45.5
81.03425	11.8
81.06581	4.9
81.07056	100.0
83.04971	15.3
83.08599	17.9
85.06540	8.0
91.05478	43.8
93.07046	50.2
95.04963	19.7
95.08605	62.3
97.02860	3.7
97.06534	53.6
97.10123	4.1
103.05479	3.9
105.07040	26.2
107.04949	12.9
107.08598	29.8
109.06522	48.6
109.10163	34.1
111.08084	26.5
113.06018	6.4
117.07016	11.2
119.08581	33.9
121.06498	9.7
121.10127	18.5
123.08047	13.2
123.11702	4.8
125.09629	10.8
129.06976	7.3
131.08556	9.4
133.06485	4.6
133.10109	18.0
135.08047	7.2
135.11681	4.8
137.05984	9.2
137.09630	23.5
137.10527	4.0
141.06949	3.8
143.08517	8.7
145.06473	5.4
145.10126	12.2
147.11676	5.9
149.09607	7.1
151.07562	5.7
151.11168	10.1
155.10617	3.4
157.10144	8.1
159.08043	6.1
159.11690	8.3
161.09631	7.6
161.13246	3.1
165.07060	3.8
165.09128	7.8
167.10672	4.6
169.10097	6.8
171.11649	4.7
173.09659	7.6
173.13326	5.4
175.11136	6.4
179.10677	4.6
183.11699	5.8
185.13272	4.9
187.14832	5.6
189.11285	4.1
195.11729	7.3
197.13304	6.8
199.11322	3.7
201.09213	4.3
209.13275	5.7
221.62985	3.6
223.14767	3.8
227.14252	3.7
261.18430	6.0
271.16919	4.8
285.61487	3.4
289.17917	25.4
307.19135	5.4
325.07004	4.0
325.10724	7.7
325.14236	4.8
325.21640	15.2
325.25153	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03949	21.6
55.01868	11.3
55.05511	43.2
55.05773	4.0
56.96558	8.7
57.03432	10.0
57.07060	4.3
61.75565	2.5
64.77804	2.5
65.03948	4.2
66.69041	3.1
67.05167	3.5
67.05508	67.1
67.05859	4.3
69.03429	6.2
69.07081	14.5
70.45216	7.0
71.04998	36.2
78.45055	2.7
79.05495	70.2
81.03425	42.3
81.07061	100.0
83.04985	35.1
83.08630	14.4
85.06506	5.7
91.05479	46.0
93.07050	54.1
95.04967	23.7
95.08608	51.9
97.06539	12.2
97.10168	3.9
99.08110	5.5
101.06031	6.1
103.05495	3.7
105.07029	36.2
107.04968	19.9
107.08605	27.8
109.02887	3.2
109.06523	40.2
109.10180	16.1
111.04476	3.3
111.08078	10.9
113.05947	3.8
117.07014	15.2
118.64364	3.0
119.08582	28.6
121.06512	16.7
121.10137	20.3
123.04446	6.3
123.08036	24.0
123.11705	3.2
125.05939	2.7
125.09626	5.9
127.07576	3.5
129.07018	6.0
131.08572	19.6
133.06496	8.5
133.10132	18.6
135.08069	13.0
135.11714	14.2
137.05923	5.2
137.09624	9.7
139.11128	3.7
141.06998	7.6
143.08560	7.9
145.06479	11.2
145.10141	12.3
147.08110	4.6
147.11725	8.6
149.09708	6.9
149.13239	4.0
151.07617	3.7
153.09143	3.7
155.08565	6.2
157.10118	8.6
159.08087	15.2
159.11684	16.1
161.09627	14.4
161.13197	4.9
163.03893	3.9
163.07578	3.9
163.11282	4.3
167.10616	4.2
169.10156	8.5
171.11694	12.5
173.09534	6.7
173.13284	6.5
175.11215	3.5
177.09055	3.3
177.12761	8.2
183.10233	4.1
183.11725	4.9
185.13220	4.2
187.11203	12.7
189.12753	6.3
191.10654	3.1
193.10069	3.1
195.11676	3.9
197.13307	4.1
205.12155	3.7
207.13841	11.4
209.13408	3.2
219.13791	6.8
233.11703	4.5
233.15359	7.7
237.14972	5.5
253.16151	3.7
261.18448	11.7
271.16891	16.1
289.17993	59.9
291.67731	2.8
301.62936	3.0
307.19034	4.4
324.08926	3.5
325.07129	6.2
325.10617	6.0
325.19937	43.3
326.24875	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03929	10.0
55.01869	34.4
55.05508	27.7
57.03441	26.8
57.07055	5.5
67.05508	86.9
69.07072	23.8
70.83445	6.2
70.83755	6.4
71.04991	5.4
77.18269	4.2
79.05495	69.6
81.03397	13.6
81.07061	78.6
83.04988	35.1
83.08620	12.3
85.06547	6.5
91.04946	7.3
91.05483	77.8
93.07043	54.8
93.58693	4.0
95.04975	71.7
95.08612	48.0
97.02888	7.1
97.06548	9.5
97.10139	12.9
98.07317	8.6
105.07036	56.9
107.04955	100.0
107.08603	22.9
109.06522	51.1
109.10155	29.0
111.04456	9.7
111.08082	4.4
112.05202	5.7
117.07026	35.6
119.08598	32.0
121.06487	25.0
121.10111	18.1
122.07300	40.4
123.04417	11.3
123.08083	6.6
125.09611	5.5
128.06174	8.2
129.07016	20.5
131.08580	45.1
133.06522	23.8
133.10138	20.5
135.08061	17.5
135.11708	13.3
137.09607	28.3
141.06931	4.5
143.08563	12.7
145.06512	24.6
145.10118	16.6
147.08043	37.5
148.08885	4.3
149.09604	8.2
151.07504	7.0
155.08644	5.0
157.10130	6.3
159.08060	7.9
159.11708	8.6
161.09590	26.5
162.10370	5.0
163.11147	8.9
165.09109	11.7
165.33026	4.2
167.95190	4.1
169.10144	4.6
171.11644	10.6
173.13235	9.9
175.11240	5.9
175.22467	4.4
177.12769	7.0
187.11235	5.8
187.14806	14.8
189.12813	8.3
197.13147	5.8
197.65794	4.2
205.15866	7.9
215.14336	14.4
233.15364	93.4
251.16400	12.8
273.18503	10.5
290.18750	15.8
291.19220	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01858	12.3
55.05514	42.5
55.05937	5.0
57.03424	7.9
57.07062	7.8
63.68730	5.1
67.05502	82.3
69.03448	5.3
69.07066	46.5
69.24217	48.4
71.04984	27.8
71.08617	5.0
73.06550	30.9
74.56153	5.3
79.05490	46.5
81.06628	8.7
81.07060	100.0
83.08627	22.3
85.06533	7.7
91.05486	39.8
93.07044	40.9
95.04958	16.4
95.08603	68.5
97.06525	24.5
97.10156	11.9
105.07034	43.5
107.04955	6.7
107.08598	34.3
109.06528	10.8
109.10166	36.7
111.08080	13.1
117.06995	11.4
119.08616	30.0
121.06458	9.1
121.10114	30.2
123.08067	12.4
123.11706	12.2
129.07033	5.9
131.08575	17.8
133.10143	31.2
135.08022	6.5
135.11661	17.4
137.09547	11.5
139.05252	5.4
143.08562	9.9
145.10126	21.5
147.08057	5.0
147.11691	16.8
149.09650	16.7
149.13240	9.0
151.11142	6.2
157.10095	5.9
159.11665	17.1
163.11154	10.2
171.11662	8.5
173.09746	5.2
173.11775	9.8
173.13286	14.2
175.14864	7.3
185.13342	10.0
205.15993	5.2
239.17958	8.0
257.19095	11.2
263.20206	7.4
275.20132	40.3
289.21649	6.0
293.21170	7.9
295.22717	7.3
307.22641	22.5
307.26208	13.5
325.21396	9.5
325.27728	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	325.2375
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	6.6
55.05292	2.2
55.05517	30.3
57.07064	6.3
64.26058	1.9
67.05508	24.2
69.03439	5.8
69.07064	20.3
69.85355	4.9
69.85747	5.5
71.05006	4.5
71.08313	2.3
71.08633	22.8
79.05495	25.0
81.03432	2.4
81.06625	3.7
81.07061	37.6
83.04971	7.8
83.08623	15.6
85.06549	3.8
91.05476	14.3
93.07048	25.3
95.04985	26.0
95.08614	31.7
97.06526	8.5
97.10172	11.3
99.08106	20.6
105.07030	21.0
107.04938	2.8
107.08596	21.6
109.06532	28.2
109.10167	14.1
111.04462	12.4
111.08079	6.2
117.07043	4.7
119.08601	16.9
121.06506	10.6
121.10168	14.1
123.08073	6.4
123.11714	4.6
125.09629	8.5
131.08566	9.9
133.10120	9.4
135.08064	9.7
135.11699	9.0
139.11165	7.7
145.10117	10.0
147.11667	6.8
149.09669	13.1
149.13254	3.5
151.11153	2.1
156.08745	1.9
159.11696	2.9
161.13216	3.9
162.28874	2.2
163.11160	10.8
163.14717	2.6
165.12764	52.6
173.13266	4.3
177.12737	5.5
181.15898	13.7
189.11244	5.0
191.10739	2.4
191.14287	2.4
195.13881	2.7
205.12230	2.5
205.15924	2.6
209.15392	2.9
223.13295	18.1
237.14748	2.7
251.16463	4.9
251.23842	3.1
257.18945	4.1
261.22153	20.8
271.20538	6.0
275.20059	23.9
279.23254	7.3
289.21634	42.4
293.21228	18.2
307.22708	100.0
346.56216	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05515	11.8
61.71697	0.6
67.05504	7.4
69.03426	1.6
69.06780	0.7
69.07077	8.2
71.04985	1.4
71.08634	11.6
71.31895	1.1
79.05502	7.2
80.11807	0.8
81.03400	1.2
81.07066	6.8
83.04977	1.9
83.08624	5.4
91.05462	2.2
93.07045	3.9
95.04955	3.2
95.08613	5.4
97.06542	1.1
97.10169	10.7
98.21492	2.3
99.04453	1.0
99.08102	7.6
105.07028	1.6
107.04940	2.9
107.08608	5.9
108.05737	1.5
109.06512	2.5
109.10167	1.9
111.08064	1.1
117.07014	1.5
119.08544	2.1
121.06512	6.6
121.10164	1.0
123.08044	1.2
125.09646	8.9
129.27260	0.7
131.08562	1.8
133.10106	1.1
135.08073	2.8
135.11711	1.3
141.12718	1.2
143.08597	0.9
145.10074	1.1
149.13181	0.9
151.11179	1.6
153.09103	1.7
159.11780	0.9
161.60149	0.9
164.11974	1.2
165.12688	1.3
177.12730	3.2
196.47128	1.0
203.12766	3.0
205.55305	0.9
247.20526	1.1
257.19122	0.9
275.20035	5.5
293.21121	100.0
294.21426	2.4
307.22675	17.6
325.21628	1.8
336.28241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03940	4.5
55.01859	8.9
55.05511	20.0
56.96559	7.3
57.03427	8.4
57.07063	9.3
59.04983	2.3
67.05503	28.0
69.03420	9.8
69.06720	2.7
69.07074	43.6
70.18102	6.8
71.04976	8.0
71.08617	4.0
71.28593	1.8
72.75678	2.1
73.02929	3.7
79.05491	18.6
79.25513	2.1
81.03416	7.4
81.07061	100.0
83.04983	7.8
83.08614	14.8
84.04556	2.6
85.02910	4.3
85.06113	2.7
85.06550	23.6
91.05483	12.7
93.07054	36.7
95.04980	6.9
95.08614	64.4
97.02900	6.5
97.06509	11.2
97.10172	5.9
98.97604	12.2
99.04451	2.4
99.08071	8.9
101.05994	2.3
105.07019	14.4
107.04941	3.9
107.08601	40.4
109.02895	4.0
109.06511	7.2
109.10165	40.5
111.08089	79.5
111.08855	4.4
111.11684	4.4
112.99162	3.0
116.98635	3.1
117.07028	4.8
119.08595	14.0
121.10156	21.8
123.08057	4.6
123.11697	23.8
125.09623	8.2
131.00162	9.6
131.08606	4.2
133.02840	4.8
133.10146	10.8
134.64024	2.2
135.08029	2.8
135.11714	15.6
137.06007	5.1
137.13263	12.6
139.11195	9.8
141.09061	2.1
145.02847	4.0
145.10118	6.3
147.03142	5.1
147.11717	8.0
149.01260	11.0
149.09584	2.4
149.13278	13.5
150.46184	2.1
151.11162	11.3
153.12721	15.2
156.03625	11.4
158.99605	5.8
159.11711	5.5
161.01289	2.5
161.13316	3.6
163.03941	5.8
163.14851	6.7
165.12706	5.2
167.02246	2.5
169.12221	3.4
172.07555	3.0
175.07523	2.8
175.14810	7.7
177.05458	5.7
177.12746	3.3
177.16348	2.6
181.05000	6.5
181.12285	8.2
189.16431	2.6
191.18013	3.2
198.59962	2.2
201.09050	2.8
207.06517	2.7
209.19037	3.9
215.17967	4.7
219.17450	2.4
231.08902	2.7
244.09645	71.8
244.59732	12.3
265.08575	2.7
269.10623	8.2
271.24319	6.0
287.11548	4.2
289.25360	12.5
293.08249	4.1
307.09665	5.6
307.26398	19.4
325.06943	3.9
325.12015	14.6
325.16086	14.9
325.27316	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	325.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
54.20668	2.4
55.01865	4.6
55.05517	16.0
57.03437	3.9
57.07061	6.8
61.42811	2.7
63.78735	2.1
65.03906	3.2
67.05505	28.2
69.03423	9.8
69.07069	47.8
69.54664	9.9
69.55087	7.7
71.04975	6.9
71.08615	2.7
79.05508	23.6
81.03426	12.2
81.07061	100.0
83.04963	5.4
83.08617	9.1
85.02895	3.5
85.06560	14.9
91.05485	14.7
93.07053	48.5
95.04974	7.3
95.08041	3.9
95.08611	54.4
97.06522	14.1
97.10170	5.5
98.20750	5.2
98.97561	2.8
99.04443	3.6
99.08112	7.2
101.06000	3.2
105.07043	21.0
107.04953	6.3
107.08599	39.6
109.06503	10.3
109.10168	39.0
111.08089	61.1
111.11684	8.2
119.04913	4.2
119.08597	11.4
120.78284	2.9
121.06499	4.4
121.10130	20.3
123.08057	4.1
123.11725	28.6
125.09608	7.0
131.04907	4.2
131.08591	3.9
133.02824	8.8
133.10133	20.1
135.04478	3.3
135.11707	18.1
137.05981	17.9
137.13260	10.2
139.11195	9.5
145.10144	5.1
147.04457	2.5
147.08102	3.7
147.11685	8.9
149.05959	2.8
149.13286	11.4
151.11194	32.8
153.12750	17.3
159.11668	6.6
161.13326	5.0
163.03909	15.3
163.11195	2.9
163.14825	6.1
165.12723	4.2
169.12204	10.4
173.13351	2.9
175.04066	3.8
175.07564	5.3
175.14818	5.4
181.04971	9.0
181.12207	6.5
186.03069	2.6
189.16533	3.3
201.05440	7.3
203.18011	2.9
205.06525	8.6
207.08159	3.4
207.17491	3.7
215.17960	3.0
219.08099	5.5
221.06052	3.2
222.06694	5.0
233.06001	3.6
234.06706	3.5
237.02620	2.9
245.22562	3.2
247.07516	3.4
250.06171	5.5
264.07657	4.5
265.08560	7.4
270.51541	3.1
271.24255	6.9
277.25278	3.3
289.08609	2.7
289.25235	14.6
292.07349	7.1
293.08090	7.7
293.11401	3.8
307.09549	7.5
307.26312	31.7
325.07001	4.1
325.10815	16.4
325.16531	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0872
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
50.59039	0.8
53.89919	0.7
54.04209	0.7
55.01865	1.5
56.96565	1.0
57.03428	1.9
64.84375	0.8
65.03943	4.2
67.01881	1.1
67.05486	2.1
69.03419	3.5
69.59007	6.5
70.06599	13.1
71.01345	1.0
72.08147	1.2
75.30769	0.8
79.05504	1.5
79.44024	0.8
81.03394	1.8
81.07019	0.9
83.01319	1.4
83.04996	1.0
84.02129	1.5
84.04498	0.9
84.08128	2.7
85.02913	6.0
86.09684	2.5
90.03448	7.4
90.93725	0.7
91.05483	1.8
92.04996	1.9
93.03382	2.1
94.06579	1.0
95.04967	5.4
97.02889	6.9
97.06548	1.2
98.20732	1.8
98.97592	2.2
98.98468	43.0
107.03682	1.8
107.04957	3.3
107.57617	0.9
108.04471	2.1
108.05235	1.5
108.20381	0.9
109.02876	2.4
110.03671	2.8
110.06020	1.4
110.07143	1.5
111.04425	1.4
116.07090	1.8
116.96724	0.8
116.99454	1.0
117.03313	0.8
118.02915	5.6
119.04945	0.9
120.00881	1.4
120.04458	3.0
121.02849	2.4
121.06462	1.3
121.92113	0.9
122.02384	1.4
122.06000	1.8
123.04432	2.6
124.05202	1.8
125.05997	12.8
127.07867	0.9
130.94722	0.9
131.04985	0.9
132.04469	1.0
135.03166	12.1
136.03929	6.1
136.07581	1.7
137.04709	3.1
137.05952	1.5
140.07076	4.7
146.05951	2.7
148.03937	1.9
148.07564	1.1
150.01805	1.6
150.05504	14.9
151.03905	1.1
151.05020	0.9
151.06282	1.0
152.07097	5.3
153.05495	2.6
158.09174	1.0
160.03995	1.0
160.07578	2.1
161.04700	1.4
162.05504	1.9
163.02626	2.9
163.03899	3.6
164.04311	1.5
164.07018	2.8
165.04195	3.7
165.05466	1.0
166.04996	1.0
167.07057	1.3
168.06570	6.2
174.05484	1.1
174.99240	3.6
176.03394	1.3
176.07039	1.2
178.04996	81.1
179.05650	1.5
180.06558	12.0
182.08136	4.8
183.14961	1.7
187.07553	1.2
188.07979	1.4
190.04945	1.2
196.06049	1.1
203.05373	1.4
204.06583	1.6
205.08559	1.9
206.04567	1.3
206.08154	1.9
208.06041	25.7
208.09523	1.6
209.03174	1.8
210.03918	1.5
211.14391	2.7
213.12361	4.0
219.05296	1.4
224.05493	3.0
232.06258	1.1
234.03958	3.1
234.07690	6.5
236.05630	4.6
236.09216	5.9
242.09337	0.9
250.07182	1.1
252.05046	100.0
253.05376	1.4
262.07123	12.6
264.08621	1.8
266.06613	1.1
278.06619	9.1
280.07968	3.0
282.09750	1.1
290.06546	4.1
290.09525	1.1
297.07144	0.9
308.07700	12.0
326.08676	96.2
327.09137	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
57.03424	3.9
61.02914	2.0
69.03419	3.5
69.70084	8.2
70.02967	8.8
71.01344	2.1
73.02926	2.4
79.18980	1.2
82.99838	3.0
83.45065	1.3
83.97020	1.2
85.02906	5.0
94.99809	2.1
97.02884	3.2
98.97601	7.1
98.98449	9.5
101.00892	20.7
105.00326	1.7
113.00885	18.5
115.02406	1.4
115.03930	1.4
116.98598	2.2
119.01923	30.1
131.01913	31.1
133.03421	1.6
133.04922	1.5
136.03914	1.4
137.02986	2.9
139.02402	1.6
143.01909	7.8
153.01416	7.5
155.01901	16.0
157.03490	13.6
161.02966	13.0
167.01907	4.5
167.07030	4.1
170.02934	2.3
171.02524	55.3
173.02957	24.9
173.04285	2.4
174.97699	2.0
175.04533	5.0
182.02979	4.0
185.02957	17.6
189.03580	100.0
190.03709	1.6
191.03961	1.7
194.04221	1.3
194.12187	1.3
195.02527	11.9
195.04190	2.4
203.03882	2.1
207.00836	1.3
207.02496	8.0
212.05252	1.5
213.03578	83.9
213.05304	3.3
214.03790	2.1
215.03966	6.4
219.02144	2.6
225.03578	34.8
227.05107	6.0
231.04642	37.4
233.05078	21.3
237.03552	8.5
243.04594	6.3
249.03645	2.2
249.06114	1.8
255.04599	10.6
260.99850	2.2
267.04474	5.0
267.07193	3.5
284.99814	5.7
285.05664	4.6
303.00909	5.9
303.06635	3.5
327.06702	66.8
327.12402	2.6
328.06952	1.9
345.02066	1.4
345.07828	4.2
345.12735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
54.06627	0.7
55.01886	0.8
56.96563	3.0
67.05505	1.3
69.03432	2.0
71.59258	0.7
71.59720	1.0
77.62283	0.7
79.05495	2.4
81.07059	2.9
84.96062	0.8
85.02916	1.5
91.05482	12.1
93.07055	0.9
94.04189	1.8
94.20703	0.7
95.04971	3.9
95.08617	1.3
98.97578	4.8
98.98472	100.0
103.05473	27.5
105.07034	4.0
106.72022	0.7
107.04961	8.6
107.08644	0.7
109.06538	2.2
110.97576	1.2
115.05506	3.6
115.06247	0.7
116.98640	2.0
116.99519	1.1
117.07041	5.0
117.10721	0.7
119.04932	7.7
119.08575	1.1
121.06492	3.7
122.03648	4.2
128.06230	13.1
128.98589	0.9
129.06963	1.2
131.04941	13.9
133.06458	2.0
133.10127	0.8
135.08080	2.0
136.05229	0.8
137.05986	50.7
141.07037	1.1
142.07726	0.9
143.00206	1.5
143.08571	23.8
144.05688	0.8
145.06503	11.0
146.07277	2.8
147.04439	1.0
147.08015	1.0
148.05203	3.0
149.05963	1.1
149.09637	0.9
151.07553	25.8
155.06090	2.0
156.06538	0.9
159.08063	1.8
160.08789	1.2
161.01379	0.8
161.05998	3.1
161.09639	3.0
162.06743	0.8
163.07553	22.8
164.08318	1.9
165.09145	3.3
171.08057	29.8
171.09503	1.6
172.08916	1.6
173.06029	4.7
174.99220	9.8
175.00606	0.8
175.07542	3.9
175.11217	0.8
177.00722	1.2
177.05684	0.9
177.09106	5.6
187.07590	5.4
188.08331	34.5
189.08952	1.0
190.95450	1.9
201.00641	1.0
203.10678	47.0
210.07158	0.8
219.01855	1.8
219.08055	1.0
223.07608	1.5
232.96477	1.6
235.11203	1.3
237.02855	1.6
237.09155	1.5
239.10802	1.0
248.08524	1.1
251.00117	1.5
251.24599	0.7
254.09454	0.9
263.10712	2.0
264.08353	1.6
267.13974	1.3
283.09665	4.9
295.13376	3.1
298.11868	4.5
327.15936	30.8
327.19196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01864	0.9
55.05515	4.6
57.03434	1.1
65.25308	0.4
67.05504	3.6
69.03425	1.1
69.07069	2.3
69.57213	0.8
69.57613	2.6
70.06598	0.5
71.04987	0.7
72.70669	0.4
79.05503	2.6
81.03378	0.9
81.07065	4.0
83.04984	1.4
83.08614	2.4
91.05490	3.0
93.07040	2.0
95.04951	1.0
95.08604	2.7
97.06526	1.3
97.10184	4.5
98.20705	0.5
98.98470	100.0
99.08112	0.6
103.05441	0.4
105.07038	1.8
107.04934	1.0
107.08595	2.1
109.06534	0.5
109.10174	1.1
111.04390	0.6
111.08055	0.7
114.96017	0.4
116.98738	0.5
116.99496	2.3
117.07054	0.9
119.04942	0.9
119.08591	1.9
121.10072	0.8
122.03697	0.4
123.08083	2.4
125.09642	4.9
131.08517	1.0
133.10150	0.8
135.08067	0.9
135.11723	0.6
137.05989	4.4
137.09618	1.3
139.11172	0.5
140.01038	0.5
143.08501	0.6
145.10187	0.6
147.07993	0.7
149.09631	0.9
151.07544	4.4
157.10240	0.5
159.08090	0.4
161.09625	0.5
163.07503	0.6
163.11217	0.9
165.09109	0.8
171.10265	0.5
171.11736	0.7
172.94411	0.9
174.99232	13.4
175.11180	0.6
189.11230	5.5
190.95453	1.5
193.12378	0.6
200.14354	1.2
201.14703	2.4
203.10680	1.8
209.13139	0.6
232.96449	0.8
251.00053	1.1
273.18564	1.5
291.19550	4.1
295.09686	0.6
309.20679	2.1
327.08786	0.7
327.12564	0.8
327.16119	1.4
327.25183	1.6
349.56738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.07668	0.4
55.01872	4.1
55.05500	1.9
56.96561	0.6
57.03431	0.5
57.07050	0.5
67.05507	3.7
69.03418	0.5
69.07068	2.6
69.63287	3.0
77.01630	0.4
79.05502	2.4
81.03414	1.0
81.07030	2.1
83.04970	1.4
83.08611	0.9
85.06520	0.5
89.23193	0.4
89.27882	0.5
91.05507	2.1
93.07029	2.2
95.04969	1.6
95.08599	1.3
97.06533	4.1
97.10192	0.8
98.20731	0.7
98.98467	100.0
105.07063	1.1
107.04957	1.2
107.08610	2.1
109.06551	0.6
109.10153	2.1
111.04447	0.9
114.48678	0.4
116.97311	0.4
116.99516	2.1
119.08573	1.2
121.10123	0.5
123.08131	0.7
125.09631	2.1
131.04903	0.5
131.08569	1.2
133.10127	1.0
135.08055	0.7
137.05966	2.4
137.09616	1.1
143.08562	0.7
145.10109	0.7
149.09584	0.5
151.07553	1.2
157.10211	0.5
159.11739	0.6
163.07541	0.8
165.09167	0.7
171.08031	0.7
172.94395	0.9
174.99222	12.3
188.08276	0.6
189.11237	0.5
190.95430	0.8
200.14441	0.8
201.14716	1.1
203.10690	1.4
232.96442	1.0
250.97632	0.9
251.00108	1.5
263.20184	0.6
273.18494	0.9
291.19647	4.0
295.09766	0.5
309.20599	4.5
327.08417	0.6
327.12222	0.9
327.15906	1.3
327.19580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.5
53.03941	8.0
55.01863	2.6
55.05510	5.5
57.03442	2.6
57.07055	2.8
57.24132	1.6
58.06586	2.1
65.03920	2.1
67.05508	15.0
68.96693	1.9
69.03426	2.9
69.07061	7.8
79.05501	10.8
80.42910	1.6
81.03412	3.6
81.07053	17.8
83.04970	2.4
83.08606	3.4
85.06549	3.9
86.06083	3.8
91.05485	24.2
93.07050	36.8
95.04971	44.5
95.08611	28.7
97.06522	6.9
98.98473	100.0
103.05444	11.0
105.04488	2.7
105.07043	29.3
107.04959	4.4
107.08592	24.4
109.06503	6.8
109.10175	12.8
115.05455	2.1
115.31094	2.0
116.99519	2.2
117.07012	8.8
119.08584	32.8
121.06491	10.2
121.10156	17.8
122.03667	1.9
123.08076	6.6
123.11710	4.8
128.06198	6.4
129.07010	5.9
130.07814	2.9
131.04927	4.7
131.08577	17.1
133.10127	22.1
135.08060	6.1
135.11714	6.3
137.05971	13.5
137.09648	2.4
138.03574	1.7
141.07011	2.4
142.07785	6.9
143.08560	17.4
144.09312	3.1
145.10130	21.4
147.11665	8.0
149.09659	3.2
151.07571	7.2
152.06230	12.9
152.38641	1.9
153.07027	10.0
153.63698	1.7
155.08653	2.0
156.09331	3.3
157.10121	15.4
158.10966	2.3
159.11696	22.0
161.09615	8.6
161.13292	5.2
163.07434	4.5
164.97249	1.6
168.05658	2.8
169.10106	10.5
171.08020	8.9
171.11674	10.5
173.09615	3.7
173.13274	12.0
174.99228	12.5
175.07530	1.8
175.14792	9.7
183.11711	6.2
185.13264	6.0
187.11191	2.4
187.14854	7.0
188.08279	10.0
195.11687	3.9
197.13298	6.2
199.14749	5.5
200.72296	2.2
200.88591	1.8
201.16464	4.4
203.10663	9.7
203.14326	1.9
209.13303	6.1
211.14828	4.2
215.02374	2.0
217.15929	3.7
225.16347	2.8
228.09436	2.1
233.03720	11.2
235.14725	2.5
251.04738	4.0
253.15921	2.3
268.18378	2.0
291.21179	2.8
309.22055	3.7
327.04340	3.4
327.07840	37.1
327.15930	7.8
327.23132	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01874	1.1
55.05511	6.7
57.03419	1.6
57.07061	3.5
65.03923	1.4
65.68626	1.0
65.97607	1.0
67.05505	13.8
69.07059	4.7
71.05004	1.6
79.05490	9.1
81.03382	1.3
81.07056	13.0
83.04973	2.3
83.08633	1.2
85.06545	1.6
91.05489	12.6
93.07043	30.3
94.67384	1.1
95.04968	32.0
95.08601	20.0
97.06528	7.5
98.21480	4.5
98.98467	100.0
104.21481	1.2
105.07037	22.2
107.08591	15.5
109.06506	4.4
109.10150	7.3
115.05465	2.6
117.07015	7.3
119.08580	26.4
121.06510	6.8
121.10145	11.9
123.08070	4.3
123.11670	3.6
128.06238	2.5
129.07027	2.8
130.07849	1.7
131.08559	11.5
133.06523	1.4
133.10120	16.8
135.08052	3.4
135.11681	4.3
137.09622	2.1
137.13268	1.3
138.62117	1.1
141.07036	1.7
142.07779	3.7
143.08551	9.1
144.09364	3.1
145.10129	16.0
147.11687	5.3
149.09566	2.5
151.11188	1.4
153.06906	1.7
155.08502	2.3
156.09346	2.6
157.10138	13.7
158.10974	2.2
159.08076	1.3
159.11693	14.9
161.09619	3.7
161.13315	1.7
169.10130	4.5
170.10948	1.5
171.11694	6.1
173.09550	1.2
173.13281	5.9
174.99200	10.6
175.14836	6.6
179.08534	1.5
182.10878	2.3
183.11743	3.2
185.13269	3.8
187.14796	5.3
189.12785	1.5
193.10072	1.7
195.11682	3.7
197.13232	4.0
199.14818	3.9
201.16345	2.7
205.09929	1.3
209.13281	3.0
211.14795	3.9
213.16431	1.8
217.15913	1.4
223.14775	2.2
225.16521	2.4
229.15823	1.9
235.14714	1.8
251.17740	1.5
265.19495	1.3
281.22501	1.2
291.21158	2.0
309.22137	2.7
327.07553	2.0
327.23190	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05511	12.1
56.05020	1.6
57.03438	3.4
65.03944	1.5
67.05161	1.9
67.05507	25.0
69.07064	8.6
69.69321	7.1
71.05003	2.9
73.15283	1.3
79.05498	21.9
81.03413	3.4
81.07067	19.0
83.05009	1.9
83.08617	6.2
89.97881	1.3
91.05496	15.5
93.07043	17.4
95.04974	6.3
95.08614	14.2
97.06536	1.9
97.10184	4.7
98.98471	100.0
105.07042	9.9
107.08605	13.0
109.06530	2.6
109.10169	11.8
111.08089	2.6
116.99547	1.9
117.07011	4.0
119.08595	10.2
121.10176	8.7
123.08096	2.1
123.11693	1.4
125.09631	4.3
130.93317	1.9
131.08554	4.8
133.10138	7.2
135.08101	1.4
135.11734	2.4
137.09599	5.4
139.11148	1.6
145.10083	3.2
147.11716	3.3
149.09627	3.3
155.10667	1.4
159.11697	3.5
164.20793	1.6
172.13240	3.0
172.94334	5.5
173.11729	7.0
173.13150	1.8
174.99246	8.4
176.98944	1.9
181.12102	1.6
187.55383	1.5
190.95384	3.2
211.13242	1.7
214.95430	2.3
223.13252	1.7
232.96480	5.6
275.20145	7.4
314.86008	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05494	6.9
56.05042	1.9
56.96569	3.3
57.75074	1.9
59.35471	1.9
67.05498	15.3
69.07082	9.4
70.49261	5.7
71.01349	2.1
71.04997	2.4
79.05484	8.8
81.03434	2.2
81.06715	1.7
81.07065	21.3
82.82689	2.0
83.04993	2.3
83.08636	3.9
91.05467	8.1
93.07059	10.9
95.04952	2.9
95.08603	7.1
97.06480	2.6
98.09684	6.1
98.98473	100.0
105.07023	7.3
107.08607	11.5
109.10145	3.5
117.07036	2.3
119.08574	6.4
121.10122	4.8
122.40092	2.0
123.11654	2.0
130.93271	4.4
133.10159	5.2
135.11656	6.0
137.05972	8.7
145.10175	2.5
147.11639	3.9
149.13232	2.4
159.11682	2.4
163.11232	2.9
172.94418	9.3
174.99240	7.6
176.99037	2.4
181.12221	5.6
190.95418	7.5
194.18050	2.1
195.13831	2.4
208.96423	2.9
211.42392	2.0
214.95425	2.2
232.96468	11.7
250.97469	2.5
262.93848	2.1
275.20081	8.3
280.95023	2.4
293.20993	2.7
326.17093	2.3
328.18884	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
55.05507	4.7
57.07064	3.4
67.05507	11.7
69.07068	3.9
71.21513	2.3
71.21835	1.5
73.91933	1.0
79.05489	4.7
81.03426	1.5
81.07046	9.2
81.23801	1.2
83.04967	1.9
83.08598	1.9
84.06950	1.3
85.06541	2.2
91.05504	6.3
93.07072	6.9
95.04974	4.2
95.08611	5.4
95.19575	1.5
97.06554	2.2
98.98474	100.0
105.07021	8.7
107.08617	6.2
109.06544	1.6
109.10172	11.6
116.99522	1.8
117.07035	2.7
119.08604	4.3
121.06453	2.3
121.10192	3.0
123.08035	2.1
123.11703	2.8
126.05588	1.2
130.93356	2.0
133.10149	12.7
135.08102	1.4
135.11731	2.8
137.09634	1.6
140.01128	1.7
145.10107	2.8
146.10468	1.7
151.11140	7.6
159.11754	2.5
169.12245	2.6
172.94348	7.9
174.99236	7.0
175.99580	2.1
176.98958	3.4
183.11768	1.3
190.95415	6.6
208.96432	1.8
214.95448	2.0
232.96507	7.1
250.97600	3.8
275.20166	3.3
293.21167	2.1
296.04013	1.3
310.30927	2.5
328.08063	3.0
328.23349	1.8
328.32056	2.4
328.35687	5.0
329.15848	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04406	1.3
53.03933	1.9
54.84231	1.0
55.01854	4.5
55.05515	22.6
56.96560	1.9
61.57612	1.2
62.81740	1.3
67.05207	1.5
67.05505	14.8
69.03419	3.6
69.06719	2.1
69.07071	33.9
70.06611	7.1
70.56131	3.7
74.06066	2.3
79.05115	1.4
79.05495	16.1
81.03386	2.1
81.07061	16.6
83.04979	2.0
83.08627	14.0
85.06554	1.7
91.05473	9.5
93.07048	9.0
95.04956	2.2
95.08624	10.2
95.73244	1.2
97.06523	3.7
97.10172	23.8
98.98468	100.0
105.07045	11.3
107.04935	2.5
107.08598	28.3
109.06524	2.1
109.10147	3.8
110.06200	1.2
111.08125	1.6
116.98665	1.3
116.99461	1.7
117.06993	2.1
119.08607	7.2
121.10131	2.9
123.08038	2.1
123.11665	2.0
125.09634	23.6
130.93318	4.4
131.08539	4.5
132.23351	1.5
133.10098	6.1
135.08020	3.2
135.11687	2.7
143.08597	1.5
145.10104	4.3
147.11655	4.2
148.94356	1.2
149.09607	9.5
151.07524	1.4
153.09174	1.9
157.10072	1.5
159.11702	2.7
161.13251	3.9
163.11198	3.7
169.10287	1.3
171.10144	2.0
172.94366	14.5
173.13208	2.7
174.99283	10.0
176.98906	2.9
179.14296	3.0
186.38722	1.2
187.11156	2.1
189.11241	26.8
190.95428	13.8
192.13789	1.3
208.96434	3.1
214.95345	2.9
229.19557	1.5
232.96486	17.8
239.17877	2.3
241.41281	1.2
247.20534	1.8
250.97577	8.8
257.19077	3.8
262.93768	3.1
275.17258	2.7
275.20084	40.7
275.23123	2.2
280.94843	2.5
293.21149	4.3
310.27829	1.4
328.26080	6.2
329.06348	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.6
55.05259	3.9
55.05515	57.9
59.49779	3.2
62.23756	3.9
67.05510	27.4
67.06872	3.1
69.03423	5.9
69.07073	38.9
69.83121	17.9
79.05499	40.9
81.07067	28.1
83.04990	6.3
83.08620	37.2
91.05487	19.6
93.07059	19.5
95.08611	17.4
97.06562	3.7
97.10175	75.8
97.45887	3.1
98.97506	4.1
98.98467	80.3
105.07014	25.0
107.08603	83.6
109.06491	3.4
109.10143	8.5
117.07030	4.2
119.08546	9.1
121.10188	5.7
123.11652	3.2
125.09636	63.1
129.06993	3.8
130.93304	3.2
131.08562	4.7
131.99094	3.5
133.10103	13.1
135.08054	6.1
135.11803	4.2
138.12692	4.7
139.53525	3.3
143.08562	4.9
143.10652	4.4
145.10088	10.9
147.11655	4.3
153.09100	4.3
159.11707	5.0
159.83276	3.3
161.13275	7.6
163.11070	3.9
171.10161	11.3
171.11687	4.2
172.94370	14.7
174.99207	6.3
189.11230	100.0
190.95337	12.7
208.96368	3.9
214.95305	4.9
232.96407	11.8
257.19037	8.0
267.13776	3.8
275.20087	76.3
293.21045	4.3
310.23471	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	329.065
Annotation	Dalspinin
Peak:m/z	Relative Intensity
51.00304	0.1
53.03944	0.3
55.01860	0.2
57.03413	0.2
65.03651	0.1
65.03942	1.1
67.01877	0.4
68.99786	1.1
69.03445	0.1
69.33311	0.6
72.58230	0.1
79.05466	0.1
81.02979	0.1
81.03422	1.6
83.01323	0.2
83.04957	0.1
85.02505	0.1
85.02913	1.0
89.03902	0.2
91.05499	0.1
93.03413	1.0
93.07018	0.1
95.04939	0.2
95.08544	0.1
97.02869	0.2
98.98473	4.3
99.04449	0.1
105.03377	0.3
107.01279	0.2
107.04948	0.1
109.02116	0.1
109.02882	1.4
110.03638	0.2
111.00776	0.1
111.04408	0.2
116.99450	0.1
117.03371	0.2
117.21439	0.1
121.02877	2.9
121.03811	0.1
123.04445	0.1
124.01563	0.1
125.02350	0.3
127.03890	0.2
133.02875	0.5
134.03596	0.3
135.00795	0.1
135.04420	1.8
136.05193	0.2
137.02345	3.8
137.03343	0.2
138.03110	0.6
139.03842	0.2
141.01796	0.2
147.04379	0.2
149.02347	5.2
151.03908	0.2
152.01056	0.1
153.01846	1.1
153.06961	0.3
155.04831	0.1
161.02353	2.5
161.05980	0.1
163.03906	0.3
165.01845	1.6
166.02631	0.5
167.03407	6.3
169.06418	0.1
170.02052	0.1
174.99220	0.4
176.98912	0.1
177.01839	3.1
179.03380	0.5
181.06517	0.5
183.02893	0.4
183.04288	0.1
184.03656	0.3
184.05167	0.1
189.05426	0.2
195.02899	3.5
197.05983	0.2
199.07507	0.2
201.05403	0.1
202.06270	0.1
203.03372	0.3
209.06010	0.3
212.04559	0.1
213.05478	0.2
218.05769	0.2
219.06493	0.1
226.06303	0.1
227.03268	0.1
227.07011	0.6
229.04973	0.5
231.06493	0.3
231.75644	0.1
237.05423	0.3
241.04921	0.2
243.06516	0.6
244.07283	0.4
245.04462	2.1
254.05798	0.1
255.06505	2.1
257.04434	0.2
257.08215	0.1
258.05252	1.2
263.05487	0.2
265.04993	0.3
269.04474	0.2
271.06027	2.0
272.03925	0.1
272.06805	2.1
282.05212	0.2
283.06018	12.1
284.06497	0.3
285.03937	0.5
285.07452	0.2
286.04724	3.8
293.04474	0.1
299.05508	10.6
300.06287	14.6
301.07056	1.2
311.05496	8.3
312.06055	0.1
323.08417	0.1
329.06555	100.0
330.06897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05506	2.1
55.91025	0.3
56.96560	0.9
57.03429	0.6
57.07069	0.8
58.17100	0.4
58.17382	0.3
59.04972	0.3
67.05515	3.4
69.07066	1.5
70.18297	1.5
71.04995	0.6
79.05498	3.0
81.03416	0.5
81.07056	2.8
82.07402	0.6
83.04975	1.0
83.08629	1.1
91.05482	1.8
93.07059	2.9
93.10074	0.4
94.07385	0.4
95.04991	1.0
95.08610	3.5
97.02882	0.3
97.06565	0.6
97.10165	1.1
98.10503	0.4
98.20788	0.5
98.98475	100.0
100.98883	1.1
105.07050	2.0
106.07385	0.3
107.08615	2.3
109.06530	0.5
109.10170	2.2
111.08068	0.6
113.09660	0.9
115.80357	0.3
116.99519	1.5
117.07008	0.4
119.08607	1.8
121.06533	0.7
121.10153	2.3
123.08083	0.5
123.11710	0.4
125.09618	0.8
128.06290	0.4
131.08598	1.3
133.10152	1.0
135.11758	0.5
137.05922	0.4
137.09619	0.5
139.11201	0.8
140.01102	0.9
145.10152	0.7
149.09604	0.6
151.07480	0.4
152.14397	0.4
157.10236	0.5
159.11755	0.8
165.65401	0.4
167.10628	0.6
171.11761	0.4
173.11804	0.6
173.13228	0.4
174.99240	8.5
176.98952	3.8
187.11398	0.4
190.95427	0.4
232.96489	0.5
241.05116	0.4
251.00078	0.6
252.99861	1.1
269.08209	0.4
275.20145	1.0
276.20523	0.7
293.21271	1.2
317.17902	0.5
329.06717	2.0
329.10904	0.6
329.17334	13.9
329.21051	1.3
329.24826	0.8
329.29529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.7
55.01874	64.4
56.45258	0.6
58.99567	2.4
58.99851	0.9
69.03418	1.9
69.07058	1.0
69.69164	3.9
70.06582	1.4
72.08143	1.2
76.02217	1.8
77.39318	0.7
79.05515	1.3
84.08146	1.2
85.02922	1.3
86.09697	1.5
86.99022	0.9
88.04006	5.6
89.03890	1.6
91.05461	3.7
93.07033	2.2
95.04968	0.9
98.97551	0.7
98.98479	11.1
103.05475	6.9
105.00107	0.7
105.07027	0.8
107.04943	2.1
107.08564	0.6
117.03365	1.6
119.04906	0.7
121.06532	6.3
121.10146	0.6
122.02721	7.9
122.09674	0.8
123.04447	1.5
131.04921	3.9
131.08571	1.0
134.03635	1.0
135.04430	0.7
139.03925	1.2
140.04648	2.2
146.06079	0.7
147.04381	0.8
149.05989	15.4
151.02101	0.8
153.05496	6.1
155.07025	2.3
159.04379	2.4
163.03883	2.5
167.07025	1.8
168.06621	1.3
168.10229	1.8
170.00392	0.9
177.05478	50.1
181.04961	1.5
181.06635	0.6
181.08525	1.1
184.01895	10.5
185.02666	13.4
188.07327	0.7
191.14305	2.8
192.07697	0.7
199.04251	11.1
208.05188	2.7
208.07047	0.6
209.08101	100.0
209.15323	1.5
218.10635	0.7
223.04240	2.8
225.05885	1.1
235.02367	0.7
241.05304	17.3
249.07539	1.2
254.05759	0.7
269.08075	2.0
281.10165	0.9
312.08972	1.0
312.12473	1.1
313.12485	1.5
315.08636	6.5
330.11087	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80827	1.5
53.03944	4.2
55.01873	3.2
55.05514	32.7
56.05033	5.0
56.96569	19.7
57.03437	3.4
57.07059	5.5
57.74021	1.6
58.06594	4.7
67.05510	26.0
69.03429	5.0
69.07075	18.5
70.06590	6.4
71.04930	3.1
71.05245	1.7
71.08632	17.2
71.95277	2.2
72.08159	2.4
73.05294	2.2
74.06084	75.7
79.05487	20.6
81.03414	3.8
81.07059	42.8
83.04987	5.4
83.08621	22.7
83.82126	1.4
84.96040	2.1
85.02892	2.4
85.06572	1.6
86.06075	3.7
87.04476	11.5
88.07631	6.1
91.05486	14.7
93.07053	16.7
95.04964	5.6
95.08617	16.9
96.08129	2.3
97.06541	3.4
97.10178	30.8
97.96780	3.7
98.98472	100.0
99.08090	15.6
101.06016	5.0
102.09219	1.6
105.07033	10.1
107.04961	6.3
107.08598	14.1
109.06516	2.5
109.10158	9.7
110.97586	4.5
111.08100	3.5
117.07042	2.9
119.08578	8.5
121.06567	2.0
121.10165	5.4
123.08080	4.4
123.11772	2.3
125.09644	30.7
128.98643	4.0
131.08575	5.3
133.10129	6.9
135.08046	5.0
135.11719	4.4
140.14377	3.3
143.00140	1.7
143.10674	2.3
145.10123	3.7
146.99626	2.6
147.11702	6.7
149.09616	2.6
149.13307	3.8
151.11139	3.0
157.10165	2.0
159.11720	4.9
161.13324	3.6
163.11263	4.8
165.12741	2.2
171.10182	3.3
173.13269	2.8
174.99266	5.9
176.98978	8.5
177.12666	2.2
179.14304	5.1
185.04817	2.8
189.11218	38.0
199.06404	2.9
203.06023	2.0
213.07971	3.2
222.10497	1.5
229.07639	1.8
239.09679	1.8
241.11128	16.7
242.08263	2.3
257.10709	2.1
259.12161	17.7
264.12790	1.7
268.29990	3.1
269.07996	1.7
269.10574	3.7
270.27887	3.4
275.20102	8.8
277.21606	25.7
279.09204	2.1
293.21259	6.1
294.28009	3.7
295.22751	5.9
297.10028	2.3
298.10928	2.0
312.28967	10.9
315.05078	4.0
315.08548	2.1
317.17963	2.8
330.30081	66.4
330.33710	8.6
331.08234	6.9
331.15775	4.0
331.19058	19.0
333.17374	2.3
349.16849	27.4
350.17334	3.5
351.18549	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	330.3003
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
55.05513	19.7
56.05030	3.5
56.16851	2.2
57.07077	13.5
60.04526	26.4
65.03940	3.2
67.05508	59.4
69.07066	24.3
69.66978	4.4
69.67386	11.6
70.06580	11.9
71.08616	7.9
79.05494	4.6
81.07062	54.3
83.08627	18.2
84.10236	2.3
87.04416	2.6
88.03976	3.5
88.07596	3.1
93.07066	3.5
95.08608	48.5
97.10172	16.3
98.20826	4.8
98.98470	100.0
107.08598	2.5
109.10153	22.4
111.11687	5.3
123.11728	10.6
123.63264	2.2
129.01865	4.0
157.01300	3.2
174.99228	4.9
175.51453	2.1
176.98967	5.4
181.66299	2.2
186.31514	2.2
249.25731	3.4
254.28294	3.3
266.28433	5.3
284.29526	27.5
294.27966	22.1
312.25415	4.1
312.28992	74.0
312.32568	5.0
315.04977	3.3
330.21332	3.7
330.30106	2.4
330.33569	11.0
331.08145	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	330.3004
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
55.01870	0.6
55.05511	4.5
56.05040	5.7
56.96584	1.0
57.03428	0.7
57.07071	0.9
58.06601	2.9
58.57079	0.6
67.05505	7.5
69.07071	3.2
69.94649	1.1
69.94999	3.0
70.06607	5.2
71.08636	2.5
72.04526	1.0
73.05322	0.7
74.06083	100.0
79.05479	3.8
81.07059	7.5
83.08619	2.9
86.06041	1.3
88.07629	3.3
91.05488	2.8
93.07053	2.7
94.06565	0.8
94.83305	0.7
95.08606	4.7
96.08143	1.2
97.10172	2.7
98.06060	0.9
98.98472	18.1
99.08105	3.2
102.78806	0.7
104.07104	0.7
105.07037	1.3
107.08557	1.6
109.10161	2.3
119.08608	1.5
121.10139	1.8
125.09651	2.6
126.09087	0.7
133.10126	1.0
151.11192	2.0
163.11157	0.9
171.10078	0.7
173.52330	0.6
179.14297	1.3
189.11209	3.3
192.23543	0.6
213.08014	0.6
229.07463	2.4
241.90430	0.6
243.09145	0.8
247.08638	1.0
264.26828	0.7
277.21625	3.5
282.68622	0.8
294.27853	3.5
312.28940	13.4
315.04953	1.4
330.30042	71.2
331.07983	1.2
331.15955	0.6
349.16864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3003
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
55.05513	0.7
56.05034	2.2
56.90845	0.7
57.07072	2.1
58.06603	41.8
59.03749	3.1
59.93181	0.6
64.03627	0.7
67.05521	0.9
69.07066	2.1
69.99515	2.4
70.06590	3.1
72.04519	53.5
74.06083	12.7
81.07097	0.8
86.06071	100.0
87.04482	0.7
88.07592	0.7
90.05557	2.7
95.08591	0.8
98.44450	0.7
98.98473	11.8
104.07114	2.8
109.10194	0.9
135.12016	0.7
256.26459	1.3
266.28629	1.2
294.27921	4.7
299.30389	0.8
312.28970	44.3
330.30072	14.9
330.33594	1.5
331.18973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
56.68807	0.2
57.07079	7.3
57.91718	0.2
58.06591	0.8
60.04504	0.3
62.06081	0.6
70.06594	12.4
70.85573	0.2
71.00020	0.7
71.08633	3.1
72.04520	0.6
74.06087	0.6
85.10179	1.1
86.06057	1.5
88.07633	16.5
92.49338	0.2
92.88851	0.2
98.98463	0.8
102.09183	4.1
105.77451	0.2
106.08672	8.6
143.75023	0.2
193.91754	0.3
226.73894	0.3
258.14841	0.3
268.30414	0.3
286.31046	0.9
312.29068	0.5
312.32559	6.8
330.33661	100.0
331.34039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
57.28085	0.2
57.87408	0.1
59.37352	0.1
67.01861	0.4
68.99793	0.4
69.03401	0.5
69.66132	0.9
71.04978	0.3
80.90455	0.2
81.03408	0.4
81.07034	0.4
83.08602	0.2
85.02921	0.2
91.05455	0.4
93.07045	0.2
93.87337	0.2
95.04945	0.2
95.08603	0.3
97.02888	0.4
98.21455	0.3
98.98478	3.1
99.04449	0.2
99.08079	0.1
100.49804	0.1
103.05415	0.2
109.02882	0.3
113.09603	0.2
119.04959	0.2
121.09992	0.2
124.01640	0.2
127.03905	0.4
136.01515	0.2
137.02325	0.3
137.05960	0.3
139.72937	0.1
141.09103	0.2
151.03975	0.2
151.07520	0.3
153.01834	2.9
163.03821	0.2
171.02873	0.5
174.99208	0.2
176.98930	0.3
178.02641	0.8
179.07063	0.5
181.04951	0.4
186.06755	0.2
197.05904	0.2
205.04913	0.4
209.05646	0.2
209.11778	0.4
213.05359	0.4
214.06195	0.3
224.04762	0.2
229.04932	0.5
241.04901	0.8
242.05730	4.1
258.02542	0.2
258.05234	4.5
269.04449	0.8
270.05246	12.3
271.05988	0.2
271.09619	0.3
273.03946	2.3
285.04050	0.8
286.04706	1.8
287.05511	6.1
298.04639	0.3
299.05554	1.2
299.09116	0.4
301.03476	3.0
301.06717	0.3
302.04193	3.4
313.03476	3.1
313.07755	0.3
315.04993	52.0
316.05771	5.9
316.09167	0.4
331.08127	100.0
332.08505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Malvidin
Peak:m/z	Relative Intensity
50.73802	0.1
51.36900	0.1
63.01076	0.1
67.01849	0.1
71.11063	0.2
75.44426	0.1
82.62186	0.1
90.26851	0.1
94.24452	0.1
98.98490	0.6
108.02089	0.2
108.05544	0.1
114.13015	0.1
135.04398	0.1
136.01591	0.2
137.02319	0.3
153.01836	1.9
154.02585	0.3
163.03888	0.1
178.02682	0.7
199.25905	0.1
201.05367	0.1
213.05452	0.4
214.06345	0.2
224.04750	0.2
229.04922	0.3
241.05011	0.8
242.05737	4.9
245.04494	0.2
253.04950	0.4
255.02866	0.2
257.04498	0.2
258.05243	5.2
263.84341	0.1
269.04480	0.9
270.05237	13.6
271.05914	0.5
273.03955	2.7
285.03964	1.0
286.04703	2.3
287.05496	6.8
288.05966	0.2
298.04675	0.4
299.05463	1.3
301.03467	2.9
302.04236	3.5
313.03433	3.7
315.04987	55.9
316.05740	5.8
323.12482	0.1
331.08121	100.0
332.08499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0806
Annotation	Malvidin
Peak:m/z	Relative Intensity
66.24296	0.1
68.99792	0.1
69.66415	0.4
73.58166	0.1
92.77798	0.1
93.07024	0.1
98.21511	0.1
98.98465	0.9
105.40564	0.1
108.02082	0.3
118.04177	0.1
135.04410	0.1
136.01506	0.3
137.02315	0.2
150.03056	0.1
151.03908	0.1
153.01819	1.7
154.02570	0.3
163.03880	0.1
168.05730	0.1
170.02026	0.1
171.02879	0.1
176.98903	0.1
178.02617	0.8
179.03349	0.1
179.06987	0.1
181.07967	0.1
186.80121	0.1
189.01790	0.1
203.03363	0.3
213.05421	0.4
214.06213	0.3
216.04295	0.2
217.04785	0.1
224.04671	0.1
229.04845	0.5
241.04941	0.9
242.05734	5.0
245.04413	0.2
252.04095	0.1
253.04926	0.4
255.02824	0.3
257.04385	0.3
258.05231	5.8
259.05753	0.1
269.04498	0.8
270.05225	14.4
271.05673	0.4
273.03961	3.0
274.04562	0.1
285.03976	1.3
286.04715	2.2
287.05490	6.9
288.06247	0.2
298.04706	0.3
299.05493	1.2
300.06000	0.1
301.03439	3.2
301.06638	0.1
302.04218	3.9
313.03427	3.9
314.03842	0.1
315.04974	59.4
316.05728	5.9
331.08102	100.0
332.08517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Malvidin
Peak:m/z	Relative Intensity
59.11439	0.3
66.72872	0.3
67.05448	0.4
69.65206	1.9
81.07035	0.4
87.74779	0.3
91.05412	0.3
93.06991	0.4
97.06475	0.5
98.21473	0.4
98.98468	6.3
102.18034	0.3
105.06973	0.3
105.84525	0.3
107.08525	0.3
116.99436	0.4
134.07698	0.3
149.02206	0.3
153.01843	1.6
154.02644	0.3
174.99260	0.5
176.98831	0.6
178.02573	0.6
179.06984	0.4
181.06485	0.3
183.08116	0.4
187.71704	0.3
203.03343	0.3
213.05496	0.4
213.17743	0.3
214.06213	0.5
241.04868	0.9
242.05762	4.6
253.04829	0.5
255.02856	0.3
258.02792	0.5
258.05280	5.2
269.04315	0.7
270.05252	12.1
270.08243	0.6
271.05704	0.6
271.09555	0.8
273.03897	3.1
285.03882	1.2
286.04721	2.0
287.05511	6.7
299.05453	1.2
299.09134	0.8
301.03455	2.4
302.04236	3.8
313.03409	3.3
315.04993	55.2
316.05756	5.6
316.08954	0.4
331.08130	100.0
331.11237	3.7
332.08432	1.3
332.12314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
50.59067	0.1
54.90948	0.1
56.96567	0.2
67.01855	0.1
67.05498	0.2
68.99809	0.1
69.03416	0.1
69.07056	0.3
70.99593	0.2
71.04968	0.1
79.05491	0.2
81.03408	0.1
81.07047	0.3
83.04990	0.1
83.08614	0.1
91.05472	0.3
93.07024	0.2
95.08601	0.4
97.06561	0.6
98.98469	7.5
99.76550	0.1
100.98894	0.1
103.05502	0.1
105.07017	0.2
107.04945	0.1
107.08601	0.2
108.02097	0.2
109.02882	0.1
109.10192	0.2
116.98587	0.1
116.99494	0.1
117.07041	0.1
118.04198	0.2
119.08539	0.2
121.02859	0.1
121.10139	0.2
123.04494	0.1
123.08027	0.1
124.01477	0.1
127.03946	0.2
129.06990	0.2
131.04918	0.1
131.08553	0.1
133.10185	0.1
135.04373	0.2
136.01561	0.2
137.02357	0.3
137.06003	0.2
141.07025	0.1
143.08542	0.1
144.05644	0.1
145.02722	0.1
145.06538	0.1
145.10117	0.2
147.04501	0.1
149.05980	0.1
150.03148	0.2
151.03961	0.1
152.06204	0.1
153.01831	1.9
153.05461	0.1
153.06979	0.2
154.02605	0.4
154.07765	0.1
155.08519	0.1
157.06479	0.2
157.10069	0.1
159.11682	0.1
161.05917	0.1
163.03870	0.2
164.04697	0.1
165.07082	0.2
167.06995	0.1
167.08459	0.1
168.05750	0.2
169.06532	0.1
169.30003	0.1
171.08081	0.1
174.99239	0.3
176.98961	0.6
177.05405	0.1
178.02600	0.6
179.03391	0.1
179.07080	0.2
181.06459	0.2
182.07237	0.1
183.08084	0.2
185.05949	0.3
191.06941	0.1
192.04256	0.1
196.05133	0.2
197.06006	0.2
203.03520	0.2
203.06964	0.1
203.10612	0.1
208.67647	0.1
209.05696	0.1
210.06725	0.1
211.07558	0.2
213.05418	0.6
214.06181	0.4
216.04124	0.1
217.08560	0.1
221.11716	0.1
224.04736	0.1
225.05508	0.1
227.07060	0.2
228.07794	0.1
229.04984	0.5
230.05885	0.1
231.06525	0.1
238.06149	0.2
239.07053	0.1
241.04979	0.9
242.05737	5.4
243.06485	0.2
245.04445	0.4
252.04268	0.2
253.05066	0.5
253.07474	0.1
253.08604	0.1
255.00438	0.1
255.02901	0.4
255.06718	0.1
256.07434	0.1
257.04553	0.3
258.05255	6.1
259.05875	0.2
269.04510	1.0
270.05240	14.6
271.05838	0.3
271.09680	0.4
273.03949	3.3
274.04306	0.1
284.06747	0.1
285.03934	1.6
285.06964	0.1
286.04706	2.1
287.05502	7.9
288.06042	0.2
298.04782	0.3
299.05542	1.3
299.09171	0.4
300.06210	0.1
301.03442	3.3
302.04208	5.3
313.03445	3.9
313.06409	0.1
314.03815	0.1
315.04987	63.9
316.05750	5.7
316.09097	0.3
331.08118	100.0
332.08493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.05480	0.1
62.63135	0.1
67.05442	0.2
68.84393	0.1
69.36288	1.1
79.05472	0.2
81.07020	0.3
91.05466	0.2
93.07012	0.2
94.12656	0.1
95.04977	0.1
95.08552	0.3
97.48772	0.1
98.98470	3.9
105.06990	0.1
108.02137	0.2
118.04125	0.2
136.01540	0.4
137.02362	0.3
137.05927	0.1
145.10179	0.1
147.04311	0.1
149.05887	0.1
151.07582	0.1
153.01833	1.7
154.02534	0.3
163.03838	0.1
163.09431	0.1
171.02794	0.1
174.99170	0.3
176.98911	0.3
178.02640	0.6
179.06940	0.2
186.06781	0.1
187.24109	0.2
196.05298	0.2
203.03363	0.3
209.05739	0.2
210.06718	0.2
211.07465	0.2
213.05440	0.4
214.06169	0.3
229.04895	0.4
238.06105	0.2
241.04985	0.8
242.05734	4.9
242.08226	0.2
243.06339	0.1
245.04433	0.3
252.04022	0.2
253.04948	0.6
255.02850	0.5
255.06551	0.1
257.04498	0.4
257.09143	0.2
258.05240	5.8
259.05692	0.1
269.04471	0.7
270.05234	13.2
271.05991	0.4
271.09570	0.6
273.03949	3.2
285.04022	1.3
286.04739	2.2
287.05508	7.6
288.06165	0.1
298.04718	0.3
299.05499	1.4
299.09125	0.4
301.03442	3.5
301.06366	0.1
302.04193	3.5
313.03461	3.8
315.04977	59.5
316.05750	5.9
316.09048	0.4
331.08112	100.0
332.08414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05513	6.1
55.98042	1.0
56.96558	2.4
57.07071	3.8
58.95746	1.0
65.03940	2.7
67.05168	1.2
67.05507	18.3
69.07059	2.7
69.75204	0.9
70.22784	1.9
70.23198	3.0
79.05492	3.3
81.07044	3.6
83.04970	1.3
83.08598	2.0
83.45528	1.0
84.08148	1.2
85.06555	10.7
87.89376	0.9
90.95145	0.9
91.05490	7.3
93.07042	2.8
95.08594	2.5
98.98471	100.0
99.04438	1.3
100.98859	1.5
103.05466	1.9
105.07034	4.7
107.08605	2.0
109.10141	2.6
110.15405	1.0
116.98649	1.0
116.99493	2.1
117.06941	1.9
119.04942	3.2
119.08558	2.1
121.06514	1.5
121.10143	2.1
123.08051	1.2
125.09641	1.1
128.06165	1.0
131.04944	4.2
131.08571	2.4
133.06511	2.1
133.10107	2.2
135.08002	1.4
135.11638	1.5
143.08553	2.5
145.06491	1.7
145.10127	5.3
147.04405	10.7
147.11691	1.4
157.10109	2.2
159.04419	6.1
159.11662	1.9
163.03925	2.9
163.11298	1.1
165.06978	1.4
171.11720	1.6
173.05992	1.5
174.99207	3.5
175.03917	66.0
176.98926	7.8
177.05466	9.0
178.70459	1.0
187.03894	14.8
187.07550	1.2
189.05504	7.3
197.06088	1.3
198.06798	1.5
199.03883	5.7
199.07619	1.6
201.05573	4.8
203.03412	2.8
203.07082	2.4
213.05455	2.0
213.09117	1.3
215.07133	1.7
217.04953	1.2
226.06276	6.5
228.07719	2.4
229.08644	18.1
231.10179	12.1
241.08566	13.8
242.05699	1.3
243.10167	10.0
245.08052	2.1
247.09698	33.4
253.08623	2.1
258.05054	1.5
259.09665	8.7
267.18234	1.0
270.05200	4.1
271.09708	2.5
272.10312	1.2
287.05530	2.3
295.13281	2.6
301.03171	1.1
302.04166	2.7
313.03308	1.4
313.14407	9.6
315.04987	19.1
316.05786	1.4
331.08069	32.7
331.11746	8.0
331.15582	5.2
331.18631	8.9
331.22699	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.96555	0.9
57.03433	0.4
57.07058	0.3
67.05505	0.8
69.07056	0.8
69.76281	1.8
81.07053	1.1
83.04963	0.4
86.21385	0.3
91.05462	1.2
93.07046	1.4
95.08616	1.1
98.98471	31.0
99.37997	0.3
100.22646	0.3
100.98917	0.5
105.07027	1.0
107.08601	1.0
109.10186	0.8
116.98704	0.4
116.99491	0.9
117.07027	0.5
119.08591	1.0
120.04703	0.3
121.10166	0.8
127.03902	0.6
131.08589	0.7
133.06433	0.3
133.10136	0.8
135.08029	0.5
143.08524	0.4
145.10123	2.9
147.11703	0.5
153.06960	0.4
157.06511	0.5
157.10121	0.5
159.11729	0.9
161.13246	0.3
165.07089	0.4
167.08630	0.3
171.11688	0.5
174.99246	1.0
176.98904	2.4
180.05716	0.4
181.06459	0.4
185.06079	0.4
185.13289	0.4
195.09953	1.6
211.07512	0.4
213.09625	0.6
231.10857	0.6
241.04939	0.3
242.05789	0.7
243.10388	0.4
258.05295	0.9
270.05252	1.8
287.05588	1.3
299.09262	0.7
302.04449	0.6
313.18063	0.7
315.05038	8.6
316.05615	0.7
331.08118	14.3
331.11957	5.0
331.18814	100.0
332.19098	1.3
349.16852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.5
56.96563	3.5
57.03445	0.7
57.07072	1.4
62.74087	0.7
63.42361	0.7
64.67735	0.7
67.05508	3.8
69.03429	1.1
69.07067	1.9
69.31142	1.2
69.31551	6.1
71.05001	1.1
71.08632	1.0
74.06096	5.6
74.82363	0.7
75.06388	0.8
79.05492	2.3
81.07057	5.0
83.08612	1.2
84.87615	0.8
87.04479	5.1
88.04784	1.2
88.07629	0.9
90.80853	0.7
91.05486	2.1
93.07047	2.5
94.07391	0.8
95.04987	1.0
95.08611	3.4
97.06565	1.2
97.10170	1.8
98.20721	1.5
98.98476	100.0
99.08128	0.9
100.98901	2.8
105.07051	2.2
107.08595	2.4
109.02930	0.8
109.06550	0.9
109.10156	1.7
116.99526	2.3
117.07035	0.9
119.08598	1.8
121.10143	0.8
125.09613	1.0
127.03952	1.3
129.07001	1.1
131.08566	1.1
133.10191	1.5
135.11664	1.5
145.10147	1.4
149.13139	0.8
159.11717	1.1
160.21611	0.8
173.13206	0.8
174.99237	3.4
176.98929	8.5
189.11224	1.0
190.95462	1.0
213.07939	1.4
245.26883	0.9
252.99759	1.1
255.09062	1.5
269.10770	1.2
270.05258	1.8
271.28360	2.6
277.21738	1.4
295.22781	2.7
302.04199	0.8
313.03580	1.0
313.17816	1.7
313.29285	1.7
315.05023	10.8
316.05740	1.8
331.08203	20.5
331.12079	2.6
331.18860	73.7
331.22107	3.0
331.30405	9.9
331.34119	2.7
332.18982	1.2
333.17413	1.1
349.16891	1.4
351.18436	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	331.2243
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
50.47392	0.6
67.05505	0.8
69.49192	1.5
69.49599	4.2
79.05469	1.2
79.89870	0.7
81.07028	1.1
93.07034	1.1
95.08591	0.7
98.98470	28.9
100.98866	0.7
105.07005	0.9
121.10149	0.9
127.03929	0.9
145.10161	1.0
147.11687	0.8
174.99202	1.1
176.98917	1.5
294.03998	0.6
315.04938	3.2
331.08179	4.7
331.22440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05512	10.3
57.03439	6.3
57.07079	100.0
58.06591	2.5
67.05500	22.6
69.07079	23.9
70.06586	3.6
71.08636	69.6
75.04482	2.8
79.05479	3.3
81.07066	41.1
83.08625	26.1
85.06549	2.7
85.10192	29.0
86.06062	4.4
88.07624	4.0
89.06030	2.4
93.07025	2.6
95.08613	58.0
97.10184	15.8
98.98470	43.4
99.11720	3.6
102.68365	2.1
103.07565	2.8
109.10172	26.5
111.11731	3.2
114.99057	2.0
123.11730	14.8
125.13313	2.0
137.13237	6.7
137.63734	2.0
147.95912	1.8
149.59203	2.1
151.14822	2.3
165.16521	2.1
176.98936	2.9
221.22644	2.1
239.23717	17.9
257.24939	9.1
313.27338	70.7
313.32803	3.0
315.05063	4.3
331.08105	6.7
331.33994	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79618	1.4
55.05513	12.6
57.03432	6.4
57.07080	100.0
67.05508	27.1
69.07068	16.4
70.06592	3.8
71.08636	64.0
75.04465	3.5
80.98396	1.5
81.07059	38.3
83.08624	24.7
84.81329	1.5
85.06576	1.7
85.10188	39.1
85.11010	1.5
86.06068	1.7
88.07621	4.9
89.06027	2.7
91.05495	1.8
93.07040	2.8
95.08607	56.6
97.10181	14.1
98.97842	3.5
98.98472	51.3
99.11674	3.6
109.10165	23.4
111.11761	1.8
121.10120	1.8
123.11706	10.2
125.13274	3.0
137.13252	3.7
139.14761	2.2
151.14847	2.4
167.46916	1.8
176.98878	2.8
239.23715	15.2
257.24857	7.7
313.27365	57.2
313.32898	2.8
315.05054	3.0
331.08078	8.2
331.18857	3.3
331.34003	33.3
337.22464	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	332.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05509	1.3
56.05024	1.2
60.04522	1.1
60.82294	0.8
65.03943	6.9
67.05498	1.9
69.03421	1.3
69.07065	2.1
69.73917	5.1
74.00667	11.9
79.05489	2.8
81.03398	1.6
81.07050	3.3
83.04973	1.0
84.04502	1.5
86.06074	4.4
86.09724	6.7
87.04476	6.7
88.03993	2.1
91.05497	1.1
93.03416	5.2
93.07025	2.5
93.98116	0.8
95.08623	1.6
97.01125	3.0
98.06041	3.9
98.98460	1.6
99.02689	1.7
104.07083	3.5
107.04943	3.2
109.01134	2.5
111.04451	5.1
111.99792	1.1
113.00620	1.0
120.01163	11.1
121.10055	1.0
122.02710	1.2
123.02631	5.8
123.04410	2.2
124.07567	1.4
125.00565	1.6
127.02140	3.0
137.00572	18.2
139.02203	1.8
139.03906	30.9
143.01723	1.2
146.08116	1.7
149.09648	2.4
151.02130	13.4
153.00027	2.2
154.06282	2.7
155.01611	1.9
157.03178	5.9
161.01665	2.7
165.00084	22.1
167.01619	1.4
167.98770	1.2
170.00316	1.7
173.12851	2.7
175.00850	1.7
175.11165	1.1
177.02383	1.2
179.01628	32.5
181.04904	4.6
183.01062	1.4
184.01945	1.7
185.02676	16.9
192.99532	2.7
193.12189	1.5
195.01128	1.6
201.12372	1.9
203.00357	2.5
211.00616	100.0
211.04146	25.6
211.13232	3.6
213.02199	8.3
219.13385	2.0
220.00574	1.1
221.01393	3.3
222.02228	1.5
227.03786	1.9
236.03764	15.7
238.05199	2.1
239.03676	6.7
243.03241	32.7
243.05678	1.9
254.04887	6.3
270.16934	1.2
278.17606	1.4
282.04327	4.2
286.07141	1.5
288.17941	4.3
300.05368	57.6
314.19650	18.1
332.07507	12.4
332.13989	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	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63389	1.1
53.03956	2.1
53.67770	1.0
55.05510	4.5
56.05031	3.6
57.03426	2.1
58.06592	1.3
58.99585	1.7
60.04525	1.7
61.49244	1.2
65.03941	1.4
67.05505	7.4
68.05025	1.6
69.03430	5.5
69.07069	3.6
70.06606	7.0
71.04972	2.4
71.59577	1.7
72.08149	2.9
74.06071	1.5
79.05496	7.0
80.05029	1.5
81.03443	7.9
81.03828	1.4
81.07059	11.9
82.06588	2.8
83.04982	5.6
83.06123	1.2
83.08625	2.5
84.04506	7.1
84.08128	3.3
85.02890	3.7
85.06551	1.3
86.06075	29.3
86.09713	13.2
87.03981	2.0
87.04472	27.5
91.05485	9.2
93.07052	7.9
95.04977	4.3
95.08610	6.2
96.04488	1.6
96.08129	2.0
97.06528	6.4
97.10172	3.0
98.06061	22.1
98.97559	1.9
98.98468	9.7
102.05531	3.1
104.07112	17.4
105.07030	5.0
107.04968	1.5
107.08578	4.6
109.06479	1.3
109.10178	2.6
111.08067	2.6
112.07603	7.2
114.73495	1.2
117.07065	1.5
117.47507	1.3
119.08586	1.6
121.10170	6.7
123.08109	1.6
124.07591	4.7
125.09562	1.4
126.05526	4.3
126.09154	2.0
128.07097	5.1
130.06412	1.2
131.08559	3.8
133.10121	2.5
137.06052	1.3
138.09148	1.5
138.12816	1.3
140.07040	2.3
142.08640	3.2
145.02831	2.4
146.11751	2.9
147.11716	3.8
149.09648	13.1
150.09119	1.3
157.07602	1.5
157.10094	1.7
158.08112	5.2
159.11707	1.4
166.12314	1.6
167.07016	1.3
173.12907	4.5
175.11188	2.5
177.05446	3.7
177.12740	2.5
182.15367	1.8
184.09740	1.3
184.13365	2.9
193.12244	6.0
195.13747	1.8
196.04919	1.4
201.12334	4.1
206.15395	2.0
207.06732	1.2
210.14948	6.9
211.13284	16.3
213.14743	1.3
224.16597	2.1
246.24405	1.2
250.17957	1.7
252.15889	7.0
260.16425	2.2
270.16977	9.0
278.17535	4.5
288.18066	22.9
296.18564	3.5
303.07135	1.8
314.19629	100.0
332.07315	18.8
332.10828	2.5
332.20300	6.2
332.24365	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	332.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34927	0.2
52.48593	0.2
55.05508	3.1
56.04773	0.5
56.05034	7.3
57.03432	1.2
57.07074	1.3
57.07312	0.3
58.06596	3.4
60.17572	0.2
67.05499	1.7
69.07069	2.9
69.85790	1.3
70.06594	8.0
71.08635	0.7
72.04514	0.9
73.05280	1.2
74.06078	100.0
79.05487	0.8
81.07059	1.7
82.06589	0.8
83.04948	0.3
84.08144	0.5
85.10186	0.4
86.06071	0.8
88.07638	3.2
93.07035	0.9
94.06544	0.4
95.08614	1.3
95.73777	0.2
96.08119	1.0
97.10175	1.2
98.20805	0.4
100.07616	1.1
104.07108	0.5
107.08604	0.5
109.10151	0.7
121.10144	0.4
207.19722	0.2
229.07449	0.6
238.25429	0.2
247.08592	0.3
252.26886	0.3
265.25015	0.3
266.28409	1.3
268.30096	1.3
270.27933	0.7
278.28525	1.4
284.29535	0.9
296.29477	6.2
314.25052	0.3
314.30530	16.9
332.31577	64.2
333.20367	0.4
333.31708	1.1
334.71912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.3
56.96571	0.5
63.94762	0.3
69.03413	0.5
70.06580	1.4
70.14803	1.3
71.96489	0.3
72.08141	0.5
74.55235	0.3
74.79910	0.3
83.04974	0.4
84.04478	0.4
84.08136	1.0
85.02904	0.7
86.09708	0.7
91.05481	0.7
97.02897	0.4
98.21415	0.4
98.97584	0.8
98.98463	2.5
104.15544	0.3
105.07030	0.5
109.02901	0.6
119.04967	0.6
120.08144	0.5
121.06554	0.5
124.07571	0.6
126.09132	0.8
127.03968	0.3
130.06529	0.4
137.06026	0.5
143.07414	0.4
146.05995	0.8
147.04388	0.5
153.05469	0.5
159.09055	0.3
163.03911	1.1
167.07094	1.1
171.08603	0.4
171.09904	2.3
176.99034	0.4
179.07198	0.5
181.04916	0.6
181.06480	0.4
181.08630	0.7
213.08908	0.3
234.98987	0.6
243.50314	0.4
273.11243	0.5
301.10696	0.8
312.95428	0.4
333.15207	100.0
334.15500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98900	0.6
55.05502	1.0
55.95778	0.7
56.05042	1.3
56.96569	36.3
58.06591	1.3
67.05502	2.7
69.07088	1.1
69.21854	4.8
69.22276	2.1
70.06624	1.1
71.95273	9.0
72.96040	2.3
74.06085	20.2
74.97617	1.2
75.06409	2.1
79.05482	1.9
81.07060	3.2
84.96038	3.8
88.07636	0.9
91.05473	1.2
93.07037	2.2
95.08595	2.1
97.96806	4.9
98.97598	2.1
98.98465	1.9
102.20076	0.6
105.00175	1.9
105.07034	1.6
107.08608	1.7
110.96803	1.5
110.97579	24.0
115.97857	1.9
116.98610	0.8
119.01743	1.1
119.08556	1.3
121.10152	1.5
123.01226	1.5
124.99137	0.9
127.00682	0.7
128.98615	22.1
131.00092	1.1
133.10120	0.8
135.11662	0.7
137.02776	1.8
143.00183	3.1
146.99660	7.4
151.00751	0.9
151.04332	1.0
152.00175	1.7
161.01169	3.3
161.04843	0.9
169.01707	1.5
170.01222	0.7
171.03296	2.5
175.02734	1.2
179.04002	0.6
185.04855	2.1
189.04327	2.2
190.05151	0.8
203.05904	1.7
225.07938	1.6
227.09445	1.2
241.11102	2.0
245.08466	1.2
245.10663	1.3
252.10463	0.9
259.12183	1.3
263.09564	5.6
265.11072	1.3
277.11105	1.1
285.11655	0.9
289.11191	0.8
291.12949	0.8
297.29846	1.4
303.12723	3.1
313.14752	2.0
315.16324	77.0
315.30795	3.9
316.16748	1.6
331.15747	3.3
332.65851	0.9
333.17368	100.0
333.31918	13.9
334.17685	1.8
350.62506	0.8
351.18439	14.0
356.18948	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03934	6.6
55.01868	6.4
55.05502	6.6
57.03431	14.6
57.07076	17.8
59.04994	9.4
60.04528	4.0
61.02917	10.0
67.05505	13.3
69.03443	37.3
69.07079	14.5
70.06579	5.0
70.32391	2.2
71.04977	7.8
72.08138	4.9
73.02905	5.5
74.06969	2.1
79.05492	7.3
81.03412	18.2
81.07049	10.8
83.01308	2.1
83.04971	7.8
83.08619	7.0
84.04476	5.3
84.08136	4.1
85.02911	95.1
85.03426	5.0
85.06545	10.4
86.09698	17.5
87.04449	4.4
87.10023	6.9
91.03939	5.0
91.05489	37.9
93.07059	14.2
95.01314	6.3
95.04959	8.0
95.08038	4.6
95.08614	62.5
97.02888	31.6
97.06530	9.0
98.06054	2.4
98.98479	21.5
99.04447	7.2
99.08095	16.4
101.70197	2.4
103.05441	2.3
105.07037	8.4
107.04948	3.4
107.08589	16.8
109.02892	16.4
109.06502	9.7
109.09531	3.0
109.10178	27.2
111.08123	11.3
113.09652	79.1
116.98655	2.8
117.07036	2.9
119.04971	5.8
119.08582	2.7
120.08133	3.5
120.15444	2.3
121.06467	5.2
123.04469	3.0
127.03941	17.3
127.11207	45.8
131.04909	2.8
131.08577	2.8
132.10202	2.7
133.04973	4.0
135.08076	4.1
135.11687	17.8
137.09610	3.3
137.13271	4.8
141.01782	6.7
145.04990	19.9
147.04417	9.7
149.05963	2.3
153.05450	3.6
153.07085	2.8
153.12758	100.0
155.14282	11.4
160.07622	3.4
163.03891	3.3
167.07126	5.8
171.13808	50.0
173.12888	6.8
174.13110	5.3
175.03876	7.1
175.07533	2.8
176.98875	2.5
177.12749	3.8
178.90366	2.3
181.06453	4.3
181.08490	4.3
187.11134	2.7
193.08609	8.7
207.06500	11.8
213.14917	4.2
215.07036	2.7
222.14784	4.6
241.08632	2.5
252.09200	3.5
292.41565	2.6
301.05984	9.3
301.11249	9.0
315.19952	7.0
333.08542	5.1
333.13486	10.4
333.17816	6.9
333.24649	3.2
334.15652	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.96573	1.0
59.61805	0.8
63.63469	0.9
71.29842	1.2
90.06200	0.9
91.05502	0.9
93.07037	1.1
98.98463	2.9
105.07030	2.2
117.48946	0.9
126.04475	0.9
133.10170	1.6
137.96826	0.9
193.04906	0.9
202.71219	0.9
235.13034	1.5
260.12650	0.9
269.02228	0.9
286.68475	0.9
333.20404	100.0
334.20557	1.4
351.18701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48297	0.6
64.63431	0.5
70.10893	2.3
75.28429	0.5
78.53111	0.6
79.51443	0.5
81.07044	0.6
89.75974	0.6
93.07021	0.7
98.21403	0.7
98.98455	1.3
107.96002	0.5
115.48901	0.6
195.09990	1.4
205.56071	0.5
215.11511	0.8
231.10840	0.8
250.21594	0.6
326.57117	0.6
333.20395	100.0
334.20758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78694	0.8
66.41405	0.7
69.68792	5.1
74.36311	0.7
94.89057	0.8
114.73105	0.9
118.23905	0.9
167.68732	0.9
194.72153	0.8
333.20386	100.0
336.17639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.8
67.05495	2.0
69.07060	0.7
70.52499	0.4
70.76157	1.3
70.76500	0.5
79.05486	1.3
81.07060	1.3
91.05487	1.4
93.07056	1.8
95.08591	0.9
98.98481	2.9
105.07027	2.0
107.08586	1.3
109.10163	0.8
110.97615	0.5
117.07033	0.5
119.08607	1.1
121.10163	0.5
125.09734	0.6
133.10132	1.1
136.43405	0.4
145.10144	1.0
154.93687	0.6
161.13260	0.5
171.11684	0.4
210.64154	0.5
243.14490	0.7
263.12625	1.0
333.20401	100.0
334.20734	1.2
351.18274	4.6
352.18683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
57.03428	0.5
67.05500	1.1
69.07080	0.8
70.06580	0.7
71.30637	0.8
79.05507	1.2
81.07040	2.1
83.05018	0.6
88.07613	1.3
91.05481	0.7
93.07044	1.8
95.04974	0.6
95.08616	0.7
98.56144	0.5
98.97511	0.6
98.98487	2.9
105.07030	1.5
107.08620	1.1
119.08589	1.5
121.10139	1.0
133.10149	1.0
135.11736	0.6
145.10115	0.7
149.13176	0.6
152.75760	0.5
196.96233	0.6
227.11319	1.3
239.11281	0.7
245.12386	0.9
253.19531	0.6
257.12561	0.6
315.18915	0.7
333.20380	100.0
334.20758	0.8
334.29462	1.6
351.20306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40886	0.5
51.49134	0.6
55.05502	0.8
56.05028	1.1
56.96558	1.0
64.46194	0.7
67.05482	0.6
68.04996	0.6
68.73943	0.7
69.03395	1.0
69.07055	0.7
69.73834	4.1
70.06602	3.3
71.05003	0.5
72.08137	2.1
73.02903	0.7
74.06070	1.3
81.03422	0.7
81.07057	4.0
81.65212	0.6
83.08636	0.7
84.04498	2.4
84.08124	2.1
85.01140	1.0
85.02913	3.3
86.06126	0.7
86.09690	2.1
97.02884	1.5
98.20741	0.6
98.97588	1.3
98.98453	1.8
100.07615	3.8
102.03780	0.9
108.08116	0.7
109.06516	2.1
110.07159	0.7
118.06517	1.0
119.04914	1.3
119.31231	0.7
120.08068	1.2
126.09162	4.2
127.07534	2.4
132.04449	0.9
135.04393	0.6
136.07516	0.9
137.05983	1.1
144.08067	0.8
146.01608	0.6
146.06012	3.2
147.04405	6.7
152.04230	0.7
153.05463	1.0
154.08635	4.6
155.07069	3.6
160.07484	0.8
163.03932	0.7
172.03690	1.5
172.07571	2.3
172.09683	8.4
173.07068	0.9
185.04204	0.7
221.05211	0.7
272.09424	0.7
275.08084	0.9
287.11877	1.0
305.09641	1.0
305.12881	3.8
310.93301	0.6
316.10901	1.2
317.18378	0.7
334.08948	100.0
334.15479	4.7
334.21265	3.7
335.09280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	1.2
55.05514	5.4
56.05012	1.4
56.96557	1.7
57.03439	2.9
61.02918	2.6
68.10912	1.0
69.03436	8.3
69.91827	3.0
69.92236	2.3
70.06591	3.6
71.04994	3.0
74.06091	1.9
79.05497	5.2
81.03416	1.8
81.07067	19.9
82.06580	1.3
83.08636	7.6
84.04533	0.9
84.08131	4.1
85.01204	0.9
85.02917	18.5
85.06548	3.9
86.09712	1.8
91.05479	2.9
93.07017	1.4
97.02902	6.1
97.06495	1.7
98.06073	1.8
98.09682	3.8
98.21371	1.3
98.97570	3.3
99.04492	1.1
99.08109	2.5
108.08115	3.7
109.02876	3.1
109.06524	17.5
111.08103	1.3
121.02877	2.9
124.07626	1.4
126.05499	1.9
126.09166	49.1
127.03885	3.1
127.07571	25.9
130.06546	1.7
130.08649	1.4
136.07574	2.0
137.06003	1.5
145.04919	2.6
146.06079	1.4
147.04390	3.1
154.08640	67.4
155.07039	44.7
158.06105	1.3
160.07622	1.3
172.09698	100.0
173.10066	1.6
177.05554	1.5
287.11691	2.4
305.12891	3.0
316.10825	1.0
334.08966	63.9
334.15497	3.9
334.21454	2.2
335.09158	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1554
Annotation	Cyclo(-Phe-Trp)
Peak:m/z	Relative Intensity
56.96557	2.5
60.04524	0.7
69.03421	1.3
69.53859	3.8
70.06581	2.1
70.98116	1.3
72.08144	1.6
74.09701	1.0
79.78505	0.6
81.03424	1.1
84.04517	0.5
84.08144	1.6
84.11920	0.6
85.02894	1.5
86.09718	3.0
86.99334	0.5
97.02879	1.8
98.20695	1.2
98.21382	1.6
98.97592	2.3
101.00878	2.2
102.00976	0.9
103.00581	0.5
103.05441	0.6
109.02823	0.5
113.00895	1.3
115.05487	0.7
116.07129	0.6
117.05710	0.6
117.24498	0.6
118.06557	7.9
118.08641	0.9
119.01944	2.8
120.01976	0.8
130.06505	7.8
131.01901	2.2
132.04491	0.9
132.08087	6.4
134.06032	0.7
137.01936	0.6
139.65910	0.6
143.01913	2.1
144.02043	1.6
144.08072	1.1
145.03537	0.8
145.07613	10.9
146.06013	41.5
146.99628	0.7
147.06776	3.7
152.07080	0.9
153.07385	0.7
154.08688	0.9
155.01926	1.4
155.06041	1.9
156.06804	0.7
156.07982	0.7
158.06009	14.1
159.06802	0.9
159.11298	0.7
160.07594	22.1
161.02988	1.4
162.03116	2.1
162.09081	1.2
163.03972	1.5
167.07167	0.8
170.06082	0.9
170.08179	0.8
172.06215	1.1
172.07504	3.4
172.09732	0.9
172.97624	0.8
173.07097	9.2
174.07895	16.1
174.09419	0.9
175.07248	0.7
175.08626	2.6
185.02963	0.6
185.06577	1.6
186.09824	1.7
187.08647	2.9
188.09482	1.8
189.10309	2.6
190.98593	0.8
196.07556	1.2
198.09700	0.8
203.04005	1.1
204.04185	1.3
207.08983	0.6
213.06900	2.1
214.09236	4.4
215.07607	0.8
216.05620	0.7
218.09645	2.1
221.05070	1.5
225.10225	5.8
231.06812	6.1
232.07597	1.9
232.10361	3.0
232.99690	1.2
244.10170	2.2
245.08344	2.2
246.09180	10.0
247.08585	0.8
249.10373	0.7
257.07050	3.6
258.08185	0.9
259.08829	3.3
259.12289	5.3
260.10794	0.7
261.10251	1.5
261.13910	0.6
262.11026	4.4
264.06253	0.8
266.13779	0.6
270.08890	0.6
270.11621	0.7
271.08688	2.4
272.09427	13.9
272.12222	0.8
273.10184	3.2
274.10861	0.7
275.08020	12.2
276.08841	4.0
277.09915	1.2
277.13373	5.6
284.09442	2.0
285.10156	1.9
286.10956	1.6
287.11792	46.4
288.08975	3.6
288.12338	1.8
289.09677	5.4
289.13361	1.6
290.10434	5.8
291.11310	3.3
292.03586	0.8
293.10889	2.9
299.11966	3.9
300.12589	0.9
301.09561	1.5
302.10596	2.8
305.12851	100.0
306.13013	2.7
316.11053	1.0
316.14658	1.0
317.09213	1.2
317.12860	16.2
318.13101	0.6
334.12311	3.0
334.15500	85.8
335.15768	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	334.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40295	0.3
55.01867	0.5
55.05516	1.4
56.96555	0.4
57.03437	1.0
57.07080	4.4
57.12457	0.3
58.06606	0.7
58.71525	0.3
62.23354	0.4
65.03946	0.4
67.05505	0.6
69.03430	0.4
69.07062	0.4
69.75321	2.3
70.06594	2.8
71.01351	1.1
72.04517	2.5
72.08158	12.0
73.02922	1.0
74.06078	1.3
79.05471	0.5
81.03401	0.5
81.07062	0.8
83.08596	0.6
84.04517	3.5
84.08150	1.7
85.02911	2.5
85.06557	2.4
86.06061	0.4
86.09705	1.0
91.05495	5.8
91.06384	0.4
93.07051	0.7
95.01329	0.5
95.08607	0.6
96.08169	0.3
97.02892	0.9
98.06046	0.8
98.21395	0.5
98.97585	0.8
99.09200	0.6
100.07622	39.7
101.02392	0.4
101.07970	0.3
101.10821	0.4
103.07579	0.5
105.07027	0.6
112.11298	0.4
112.56211	0.3
113.02409	1.0
116.07096	2.0
117.07005	0.4
117.10262	1.5
118.06551	1.7
119.04954	17.2
120.08131	2.3
121.10185	0.6
127.08614	0.4
130.05052	0.7
130.06541	0.5
131.03305	0.4
132.08066	0.8
134.01125	0.4
134.08350	0.5
135.09103	0.5
141.01831	1.2
143.07297	0.4
143.11864	0.4
144.08080	1.1
146.06026	6.9
146.07164	0.3
147.04414	100.0
148.04834	0.6
157.13396	0.4
159.06790	0.4
159.09109	0.9
159.10188	2.2
160.07468	0.4
171.13614	0.5
171.14952	6.0
188.07066	10.0
188.17604	8.3
191.11774	0.6
193.12238	0.5
197.12880	0.6
198.07515	0.6
201.11351	0.4
205.09787	2.2
214.15477	0.7
218.11777	16.3
225.10242	1.0
226.14381	0.4
235.14423	0.9
252.59303	0.4
261.12247	0.7
263.13858	1.1
289.11758	0.7
290.15771	0.6
290.18680	0.4
305.12775	2.2
316.20340	0.8
317.11414	1.2
317.18607	18.0
334.17422	7.1
334.21210	57.2
335.21561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.07072	1.1
57.51375	0.4
58.06598	1.0
60.04519	0.4
61.22248	0.3
65.03934	0.4
69.03432	0.4
70.06609	2.4
70.94498	0.6
70.94816	0.4
72.04542	2.3
72.08160	24.4
73.02910	0.5
73.45736	0.4
74.06085	0.9
76.92030	0.4
79.12379	0.4
81.07055	0.8
84.04508	0.6
84.08134	1.6
85.02892	1.0
85.06548	0.9
86.09718	1.0
86.76925	0.3
88.03989	0.5
88.77636	0.4
91.05482	6.6
97.02903	0.7
98.06068	0.4
98.97622	0.3
98.98465	0.4
100.07626	52.5
101.07972	0.5
101.10772	0.5
109.02882	0.4
112.11230	0.7
114.09150	0.5
116.07146	0.4
116.25771	0.3
117.10295	2.5
119.04951	23.0
120.08135	0.5
130.06563	0.5
141.10225	0.4
142.98347	0.3
143.11823	0.7
146.06030	1.8
147.04419	100.0
148.04773	0.6
162.05533	0.7
171.14926	8.9
171.16313	0.7
188.07071	1.5
188.17604	12.9
197.12953	0.4
211.13438	0.5
218.11778	12.2
226.14375	0.5
235.14490	1.7
272.14899	0.4
290.15686	0.5
293.06186	0.4
305.12808	1.2
316.20358	0.4
317.18604	19.6
334.15689	1.9
334.21268	70.7
335.21704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2379
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
52.85131	0.2
53.12373	0.2
54.17569	0.2
55.05509	0.3
56.96553	0.4
57.07054	0.2
60.04519	0.3
67.05497	0.5
69.03423	0.2
69.07061	0.4
70.23906	0.8
71.04977	0.2
79.05506	0.4
81.03390	0.3
81.07049	0.9
91.05461	0.6
93.07022	0.6
95.04957	0.2
95.08621	0.4
97.02888	0.3
97.06470	0.2
98.21438	0.3
98.97591	0.4
98.98455	0.4
105.07046	0.5
106.06517	0.2
107.08587	0.4
109.10185	0.3
116.98693	0.3
117.05738	0.6
117.06979	0.3
118.06552	5.9
119.04938	0.2
119.08595	0.3
120.05306	0.2
120.08121	0.3
121.10142	0.4
129.07039	0.3
130.06525	0.8
131.07329	1.1
131.08456	0.2
132.08099	3.6
133.08887	0.5
134.09648	0.5
135.54810	0.2
137.06058	0.3
144.08075	0.6
145.08888	0.5
146.06044	0.3
146.09653	2.4
158.09639	0.6
158.99657	0.3
160.07568	1.1
160.11136	1.3
162.09152	5.4
162.12820	0.3
167.07115	0.3
173.09659	0.2
174.12842	0.3
176.10701	5.3
176.14343	0.4
177.11479	1.0
179.06947	0.2
190.12273	3.5
191.13107	0.3
204.13873	1.2
244.20515	1.1
260.09155	0.5
272.20105	10.7
290.21176	2.9
305.12921	0.3
316.22797	0.7
334.23773	100.0
335.24341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
56.40629	5.3
69.73700	4.5
70.82047	12.4
70.82401	4.8
84.08134	5.6
85.02910	5.6
91.60567	4.9
94.20711	4.2
101.00892	23.4
113.00861	7.9
118.08665	9.7
119.01940	26.4
123.05582	13.4
131.01878	9.1
133.03531	8.3
134.36003	5.0
137.02945	5.3
143.01895	13.2
145.03473	14.5
155.01929	6.8
157.03479	8.1
171.05022	5.4
173.02960	11.5
173.08043	5.5
185.03044	9.9
187.04492	6.2
203.03876	8.8
215.00351	10.1
215.03934	7.1
221.04953	6.7
233.05176	5.5
236.09618	4.5
245.05103	8.0
275.02603	5.8
275.06171	11.1
280.01727	7.4
303.05594	13.1
332.84308	5.4
335.07172	100.0
343.15704	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	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05028	0.7
51.17328	0.7
53.03947	1.2
55.05503	1.3
63.89812	0.6
65.03948	4.1
67.05509	6.6
69.03436	1.1
69.07072	100.0
69.50789	0.7
70.91476	0.7
71.59965	1.1
77.03934	0.8
79.05509	3.1
80.04996	0.9
81.03404	1.7
81.07069	7.6
83.04979	1.1
85.02889	1.0
91.05495	2.0
92.04997	5.0
93.05764	1.2
93.07063	3.5
94.06561	6.2
95.04987	3.3
95.08631	2.5
96.08152	0.9
97.02911	1.1
97.06536	17.3
97.07120	1.2
98.97606	1.0
99.04457	0.9
101.66499	0.7
104.05032	1.2
105.07030	2.6
105.49612	0.8
106.06609	1.0
107.08596	2.1
109.02934	2.5
109.06548	1.5
109.10194	1.5
111.04454	1.1
116.13629	0.9
117.07010	0.9
119.03676	0.8
119.08585	1.5
120.04473	1.1
121.05270	1.4
121.06521	2.1
121.10159	0.9
122.06036	8.7
124.07613	2.4
125.06027	1.3
129.07021	1.4
131.07440	1.0
131.08560	1.7
133.10182	0.9
134.06091	1.0
137.06046	2.9
137.09692	1.0
138.05511	5.7
140.07065	7.3
143.08572	1.3
144.08144	2.6
145.06558	1.0
145.08925	3.1
145.10147	1.7
146.06079	0.8
146.09723	3.5
147.04456	1.0
147.06801	1.2
148.03990	2.8
150.05518	81.3
152.03426	0.9
156.08151	0.8
157.08881	3.9
158.09726	1.1
160.07597	1.2
160.11301	1.1
161.08398	3.4
162.09184	2.8
163.03922	0.9
163.11147	1.3
165.04355	1.0
166.05006	32.9
168.06618	1.6
172.07669	2.6
172.11241	5.9
173.08408	2.5
173.09740	1.3
174.09196	2.0
174.12801	6.8
176.03439	8.8
178.05028	2.0
182.04639	0.9
182.09650	1.1
185.06953	0.9
185.08440	1.5
186.07681	1.4
188.10751	1.9
190.08620	1.2
190.12285	4.4
192.02925	1.1
194.04552	3.1
198.07855	1.8
200.10789	7.0
202.12274	8.3
213.10147	1.7
216.10208	4.1
218.11775	33.0
226.08752	1.1
227.11789	1.4
228.10231	18.7
229.13431	1.2
234.11314	3.3
243.11353	1.6
244.09787	2.1
245.12924	3.0
246.11272	26.8
255.11349	1.4
256.09918	0.9
257.09329	1.1
261.09131	0.9
261.12399	1.4
271.10791	6.3
272.09229	4.0
272.61707	0.9
273.12439	3.5
274.10919	3.0
287.10315	8.4
288.08612	0.9
289.11877	10.9
289.14798	1.2
290.10367	1.3
290.25607	0.8
291.13531	0.9
299.10336	6.7
317.11346	25.3
317.14816	1.5
317.21313	1.0
335.08569	1.2
335.12399	19.0
335.18555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27528	1.4
55.01867	3.6
55.50536	1.3
57.03438	20.3
57.07075	100.0
61.02923	4.5
65.03938	1.6
67.05508	2.6
69.03423	8.4
69.07079	3.6
70.06583	4.1
71.01353	24.6
71.59271	2.4
71.59641	1.6
72.08138	9.6
73.02554	2.7
73.02918	34.9
73.08464	1.7
75.04470	1.8
81.03414	4.0
83.01329	5.9
83.04955	2.5
84.04535	1.7
84.08141	3.0
85.02905	64.1
85.06541	89.7
91.05479	4.6
93.07066	1.5
95.01343	4.4
95.04982	2.5
95.08619	1.4
97.02887	24.7
98.97591	2.3
99.00813	10.1
99.04457	3.8
100.07617	14.0
101.02399	9.3
101.07931	5.1
103.03922	6.1
103.07573	15.4
113.02368	30.7
115.03923	2.6
119.04939	5.2
120.05264	2.5
126.17916	1.6
127.03898	2.4
131.03407	14.7
141.01822	17.8
145.04945	3.1
145.10118	1.8
146.05992	2.2
147.04410	19.8
148.04745	13.7
151.03918	1.7
159.02867	8.9
159.06561	3.1
159.10168	67.1
169.04955	5.8
171.14966	2.5
187.05960	2.9
188.17644	1.8
189.17909	2.2
197.04448	5.8
201.11330	7.3
215.05501	8.3
219.12041	3.0
233.06512	1.9
253.09698	2.0
278.33197	1.6
287.10178	3.6
289.11963	2.0
299.10870	3.6
317.11191	7.0
318.12512	2.4
318.18796	4.4
335.12759	9.5
335.21552	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
56.14276	1.4
56.96544	1.5
61.02911	4.2
61.03212	1.1
65.03943	1.6
67.05501	2.8
69.03440	9.3
69.52386	1.2
69.80489	7.4
71.04996	14.5
81.02968	2.3
81.03419	32.1
82.04190	6.0
85.02905	25.7
85.06541	5.1
89.06013	2.3
89.73266	1.3
91.03943	1.3
95.04975	19.5
97.02893	7.3
97.06529	3.9
98.03654	5.3
98.20735	2.3
98.97569	5.5
99.04449	3.2
109.02879	14.3
113.06008	40.6
123.04440	4.9
127.03908	6.7
127.07548	1.9
128.44891	1.4
138.50169	1.3
141.05473	35.2
145.04944	2.4
153.21046	1.7
155.07027	5.6
158.99629	1.6
173.08107	100.0
177.00699	4.1
185.86237	1.3
229.45621	1.5
281.69669	1.4
317.11093	2.1
335.12378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2119
Annotation	(+)-Sophorbenzamine
Peak:m/z	Relative Intensity
55.01861	0.4
55.05499	0.3
56.96553	0.4
67.04236	0.7
67.05499	0.6
68.42596	0.2
69.03421	0.3
69.07066	0.3
71.05000	0.4
71.45332	0.4
71.45674	0.3
77.67970	0.3
79.05485	0.6
80.71024	0.2
81.03418	0.4
81.07060	1.0
82.07272	0.3
83.04985	0.5
85.02935	0.3
85.06562	0.2
89.10210	0.3
90.76968	0.3
91.05478	1.2
93.07047	0.7
95.04964	0.5
95.08604	1.0
95.94242	0.2
97.02937	0.4
97.06505	0.6
98.97621	0.4
100.00435	0.3
105.07035	2.6
107.08612	0.7
107.83218	0.3
109.02881	0.5
109.06470	0.3
109.10146	0.5
115.05451	6.1
117.05766	3.6
117.07034	0.6
118.06553	3.5
119.08573	0.6
121.10143	0.4
127.03979	0.2
129.07057	0.3
130.06551	0.6
131.04915	0.5
131.07419	0.3
131.08530	0.6
132.08087	10.7
133.06482	2.1
133.08911	0.3
133.10095	0.4
135.08086	0.3
135.11688	0.3
137.09602	0.5
142.06528	1.8
143.07300	0.9
145.10110	0.4
146.06023	0.3
146.09633	0.8
147.04393	0.6
149.09639	0.5
151.07579	0.3
157.23637	0.3
159.06802	1.2
159.11703	0.5
160.07578	100.0
161.07904	1.1
161.13293	0.5
163.11201	0.3
173.09601	0.3
176.14346	49.5
177.14661	0.8
185.09596	0.2
216.86076	0.3
335.21179	27.0
336.21634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48722	1.0
53.03956	2.4
55.01875	1.4
55.05514	6.7
56.96563	1.1
57.03445	9.2
57.07085	1.3
57.59116	1.1
65.03937	1.1
67.05507	27.6
68.18452	1.1
69.07074	5.1
71.29034	1.8
71.29388	1.2
79.05500	15.8
81.06590	1.7
81.07056	28.7
83.04963	1.6
83.08616	3.6
91.05496	6.4
93.07055	16.9
95.04984	1.5
95.08616	22.5
99.08115	1.4
105.07024	8.0
107.08616	10.3
109.10172	9.7
111.02345	1.0
117.07012	2.9
119.08594	4.9
119.75705	1.0
121.10156	8.5
123.11725	2.2
123.50892	1.0
131.08539	3.0
133.10124	3.4
135.11708	6.1
140.41779	1.1
145.10132	2.6
147.11691	2.0
149.09641	1.4
149.13266	2.8
151.73471	1.1
152.30589	1.2
159.11710	2.4
161.13251	1.9
163.14781	1.6
165.12756	1.4
173.13307	2.1
187.14885	2.1
243.21100	4.9
247.74547	1.2
261.22217	3.8
317.24719	2.0
335.21909	100.0
335.25812	20.9
336.22162	1.7
353.21664	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	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
56.88619	0.4
67.05502	0.8
69.40358	0.4
69.68577	1.3
69.69005	1.9
73.74615	0.5
79.05502	0.9
81.07058	1.1
92.86195	0.5
95.08596	1.0
98.20721	0.7
107.08595	0.7
110.81748	0.5
119.08591	0.8
130.63960	0.4
145.10146	0.5
150.46317	0.4
195.10001	2.9
298.56989	0.6
335.21939	100.0
336.22290	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	1.7
55.05511	21.3
57.03437	22.5
57.07072	2.6
62.51543	1.1
65.03962	2.2
67.05505	75.0
69.07071	18.9
69.44957	9.4
71.05006	1.5
75.90067	1.1
79.05496	37.8
81.07059	71.4
82.26849	1.0
83.04983	3.5
83.08615	6.7
85.06537	1.3
91.05486	18.0
93.07049	44.1
95.04964	2.1
95.08609	59.3
97.06542	2.9
97.10200	3.7
105.04532	1.4
105.07034	14.6
107.08602	20.9
109.06544	2.1
109.10156	22.1
117.07039	3.6
119.08578	11.4
121.10159	18.1
123.08099	1.7
123.11716	7.4
131.08583	7.5
133.10107	9.3
135.11696	13.2
137.09612	1.5
137.13277	2.1
139.11259	1.7
145.10126	5.4
147.11713	5.0
149.13274	7.5
159.11737	4.7
161.13264	3.4
163.14813	2.4
173.13326	4.5
175.14856	2.3
177.16510	1.7
180.37503	1.2
187.14879	2.4
195.10042	2.7
197.69243	1.1
216.98329	1.4
243.21094	4.3
261.22031	6.6
281.44675	1.2
335.21939	100.0
335.25870	75.2
336.22220	1.8
339.82965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05511	4.1
57.03444	4.3
57.07077	0.9
65.03952	1.0
67.05506	16.2
69.07059	3.2
70.28779	2.1
79.05496	10.4
81.07059	15.0
83.05004	0.8
83.08621	1.9
91.05479	4.9
93.07050	10.9
95.08604	12.7
97.06532	1.0
97.10159	0.7
97.37741	0.7
101.92973	0.6
105.07033	3.0
107.08600	5.7
109.10138	4.5
111.08094	0.9
117.07016	0.7
119.08566	3.4
121.10120	4.8
123.11710	1.7
126.78616	0.6
129.91972	0.7
131.08601	2.6
133.10168	2.2
135.11723	2.2
137.13307	0.8
145.10100	1.1
147.11713	1.2
149.13205	1.0
159.11768	1.4
161.13251	1.2
173.13327	1.0
225.21701	0.6
243.21057	1.4
261.22226	1.5
335.21985	100.0
335.25824	15.9
336.22391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.9
55.01874	1.4
55.05259	1.6
55.05514	25.8
57.03442	23.5
57.07064	2.3
65.03934	3.8
67.05509	100.0
69.06712	1.4
69.07072	21.3
69.81997	2.0
69.82410	2.7
71.04987	3.2
77.03919	1.0
79.05498	45.2
81.07062	79.4
83.04976	1.4
83.08628	8.2
85.06526	1.4
91.05488	22.6
93.07050	52.5
95.04983	4.1
95.08611	67.2
97.06523	2.5
97.10162	4.8
97.14787	1.0
99.08082	1.2
105.07034	13.9
107.04951	1.5
107.08603	24.6
109.06535	2.3
109.10161	24.9
111.08049	1.9
117.07013	4.3
117.91806	0.8
119.08577	10.6
121.10149	20.2
123.08035	1.3
123.11710	7.7
125.09650	1.0
131.08580	7.6
133.10130	7.7
135.08073	0.9
135.11691	12.0
137.09666	1.0
137.13289	2.2
142.17409	1.1
145.10103	5.0
147.11700	4.6
149.09694	1.2
149.13269	6.3
159.11664	3.4
161.13228	4.2
163.14789	1.5
173.13264	3.4
175.14906	1.6
177.16400	1.0
187.14699	1.1
234.39217	0.8
243.21046	2.8
255.46820	0.9
261.21982	4.8
307.87766	1.0
335.25824	89.7
336.26086	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02369	1.3
53.03936	4.1
55.01870	2.5
55.05293	1.4
55.05515	15.7
57.03177	1.9
57.03441	24.8
57.07073	1.8
65.03934	3.5
67.05508	68.3
69.07075	15.8
71.04987	1.9
71.21650	1.5
71.21965	1.2
79.05051	1.8
79.05497	38.4
81.07060	75.3
83.04979	1.7
83.08618	6.3
85.06583	1.7
91.05486	19.8
93.07047	43.7
95.04951	2.4
95.08609	62.2
97.06534	3.0
97.10172	3.1
103.03937	1.2
105.07031	12.4
107.08598	27.1
109.06517	1.9
109.10161	28.7
109.10899	1.7
111.08080	2.5
117.07010	3.4
119.08591	10.5
121.10136	23.3
123.11704	10.3
129.05435	2.4
131.08577	12.7
133.10144	10.7
135.11700	19.1
137.13264	3.7
145.10132	8.3
147.11697	9.4
149.13277	11.5
154.56175	1.0
159.11702	8.3
161.13297	7.4
163.14809	4.8
173.13275	6.1
175.14807	4.0
187.14856	2.9
191.76511	1.4
243.13199	1.1
243.21100	12.7
261.22183	13.4
279.23267	1.2
317.24747	3.2
319.45547	1.2
335.25818	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03952	4.8
55.01854	1.2
55.05515	24.7
57.03439	26.5
57.07060	2.3
65.03921	3.7
67.05507	97.6
69.07070	21.4
69.41264	6.6
69.41669	1.9
71.04971	1.6
79.05495	52.5
81.07060	88.2
82.78403	0.9
83.08618	10.0
84.12131	0.9
85.06537	2.6
91.05480	23.0
93.07047	52.5
95.04958	3.7
95.08607	69.3
97.06509	2.0
97.10145	3.3
105.04531	1.0
105.07040	13.7
107.08603	27.3
109.06526	2.7
109.10159	29.0
109.10905	1.6
111.08080	1.5
117.07039	5.5
117.76686	1.2
119.08584	12.9
121.10150	23.1
123.08093	1.4
123.11694	9.4
129.05484	1.2
131.08592	8.1
133.10136	10.8
135.11702	15.8
137.13229	2.8
138.57590	0.9
145.10132	8.6
147.11693	6.3
149.13269	6.2
157.59442	0.9
159.11682	8.1
161.13258	4.8
163.11153	1.1
163.14864	2.9
173.13239	5.3
175.14856	1.3
177.16368	1.5
187.14864	3.6
195.24281	1.0
215.42383	0.9
217.19386	1.0
243.21106	4.3
261.22202	8.8
317.24759	3.4
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10157	0.6
51.96311	0.9
53.55367	0.6
56.05021	1.0
56.51934	0.6
56.96554	1.9
57.03442	1.0
59.04998	0.8
59.68077	0.7
62.39789	0.6
64.50452	0.8
64.78828	0.9
69.03430	1.6
69.83437	2.8
70.06571	1.0
73.02940	0.7
81.03394	0.8
83.53196	0.8
84.04498	0.9
84.08121	1.7
85.02912	4.3
86.09682	1.3
89.35935	0.7
97.02889	1.6
98.20911	2.0
98.97577	3.6
101.00870	0.8
103.05479	1.2
104.04971	7.3
112.07520	0.9
112.55891	0.7
116.98589	0.7
118.06506	3.5
119.01897	1.8
124.99152	0.7
127.03887	1.2
130.06538	15.7
131.01875	0.7
132.04460	23.9
143.02000	0.9
146.06012	95.3
147.06664	1.3
155.01903	1.1
158.06023	19.6
159.06737	3.5
160.03947	0.9
160.07585	2.0
161.02965	0.8
162.80782	0.7
163.03897	3.0
166.05318	1.1
167.07036	0.8
173.03011	1.0
174.05486	1.3
175.29573	0.7
175.48897	0.8
186.06744	1.3
198.05533	1.1
204.08025	1.5
218.09674	1.6
226.04987	0.6
228.08025	1.0
229.00330	0.7
231.06810	4.9
232.07613	2.0
243.09189	1.3
244.07684	1.3
244.09868	1.5
245.07098	1.8
245.10803	2.9
246.09079	2.9
255.09293	1.5
256.07587	1.2
256.10025	3.0
257.07196	2.6
258.07916	8.8
259.08655	5.2
262.07462	3.2
263.11853	1.3
270.07837	0.8
271.08609	4.6
272.05817	10.8
272.09384	5.3
273.06686	3.7
273.10217	32.2
275.08136	4.4
276.09329	3.0
277.09058	0.8
279.11243	1.0
283.08664	1.2
286.07458	3.9
287.07910	0.8
288.06442	0.8
289.09628	1.7
290.06766	1.4
290.10202	0.8
291.07809	2.0
291.11246	13.7
294.11270	0.8
301.09726	20.2
302.10364	0.9
307.10709	2.3
318.12338	3.5
319.10779	100.0
320.11127	2.5
336.13257	9.3
347.84808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01876	1.8
55.05508	19.5
57.03453	3.3
57.07066	2.1
58.00748	1.3
58.99594	8.1
66.61250	1.4
67.05505	29.6
67.27116	1.2
69.03417	2.3
69.07077	18.3
70.04594	4.4
71.04993	10.4
75.36710	1.3
76.02235	9.5
79.05499	14.7
81.07064	71.8
83.04995	6.7
83.08630	17.3
85.06548	18.7
86.99049	3.8
91.05482	22.2
93.07058	21.5
95.04986	2.0
95.08614	100.0
97.06544	24.8
97.10175	8.1
98.21386	1.9
99.08107	13.4
101.05980	1.7
105.00111	6.5
105.07051	27.0
107.08604	11.4
109.06532	3.9
109.10165	7.2
111.08094	4.9
113.09647	2.6
115.07558	3.9
117.68049	1.1
119.04961	1.4
119.08595	39.8
120.08898	1.4
121.10136	12.5
122.02750	11.2
123.08096	6.7
133.10136	26.8
135.11702	17.1
137.09644	4.4
137.13266	16.9
141.09108	1.7
147.04401	3.0
149.13232	2.5
152.58031	1.3
161.13274	95.1
167.14392	4.2
179.14328	91.6
185.15437	2.9
197.15396	62.9
206.76741	1.3
215.16420	10.9
229.12616	4.5
247.99098	1.4
255.14247	1.8
273.15192	6.1
300.16260	1.8
309.07404	1.7
318.17087	3.8
318.20764	1.3
319.15790	20.7
336.18372	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	336.2535
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
50.72826	1.7
55.01842	1.9
55.05512	14.7
56.16080	1.9
56.96556	1.7
67.05514	13.1
69.07053	6.5
71.08601	2.9
71.59598	2.7
79.05507	9.4
81.07056	13.1
82.07381	1.8
83.04971	2.2
83.08610	5.7
85.02937	1.6
91.05476	7.7
93.07056	10.0
94.06568	2.5
94.07352	2.0
95.04957	2.8
95.08606	8.7
96.08080	2.0
97.10152	6.4
105.07051	7.6
107.08612	10.8
108.20720	1.8
109.06525	1.9
109.10149	4.8
110.06049	48.6
117.06922	1.8
119.08581	2.3
121.10171	3.3
123.11671	2.2
125.09615	4.9
129.59966	1.5
131.08566	1.9
133.10123	5.6
135.08047	2.0
138.12753	4.7
143.08534	1.8
143.93037	1.4
147.11690	2.0
161.13235	1.8
171.11665	1.9
180.13815	1.8
181.18558	1.5
189.11209	1.6
189.12988	1.7
199.92427	2.2
207.03584	1.6
208.13301	4.1
220.10788	2.0
220.16864	1.9
225.12489	1.7
226.14513	2.0
228.11505	3.7
238.14467	3.3
246.12512	3.7
259.20526	2.4
276.23340	10.9
277.21661	6.0
288.92065	2.8
294.24261	29.4
318.20135	3.6
318.24265	10.5
336.09790	1.8
336.21530	28.8
336.25327	100.0
354.21939	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	337.0701
Annotation	Garhwalin
Peak:m/z	Relative Intensity
53.03938	0.2
55.01866	0.3
55.05505	0.2
60.39580	0.1
65.03946	0.6
67.05507	1.7
68.33887	0.1
68.99789	1.2
69.03423	0.2
69.07058	0.3
70.99181	0.2
71.04971	0.1
72.00454	0.1
77.03941	0.1
79.05492	1.3
81.03413	0.3
81.07052	0.4
83.04993	0.1
83.08634	0.1
83.59892	0.1
85.02838	0.1
89.03912	0.2
91.04946	0.1
91.05479	1.9
92.99785	0.1
93.03405	0.3
93.07056	0.4
95.01347	0.1
95.04966	3.6
95.08596	0.3
97.06506	0.1
98.97549	0.1
102.91384	0.1
105.03386	0.3
105.07022	0.3
107.04955	2.6
107.08585	0.3
109.02884	0.1
109.06512	0.2
109.10136	0.2
111.04455	0.2
111.08083	0.2
117.03403	0.3
117.06984	0.1
118.04150	0.1
118.32710	0.1
119.04940	3.7
119.08574	0.3
121.02866	6.1
121.06499	0.1
121.10104	0.4
123.04434	0.5
123.11685	0.2
125.09641	0.1
129.03348	0.1
131.04892	0.3
133.10117	0.2
135.04419	4.2
135.11702	0.1
137.06026	0.2
137.09607	0.1
139.11172	0.1
143.08543	0.1
145.02841	6.0
145.10095	0.2
147.04382	0.7
147.11703	0.1
148.01486	0.1
149.02342	0.8
149.09671	0.1
151.03894	0.1
151.11203	0.1
153.05457	0.1
155.08589	0.1
157.10115	0.1
161.02280	0.1
161.05934	0.2
162.03287	0.1
162.05508	0.1
163.03900	19.4
164.04181	0.2
165.01834	0.2
165.05568	0.1
165.06993	0.3
167.03482	0.4
167.08562	0.1
167.10626	0.1
173.02365	0.5
173.13036	0.1
175.03862	0.2
176.01051	0.7
177.01848	0.2
178.07764	0.2
179.08546	0.3
181.04956	6.3
181.06340	0.3
182.05426	0.1
182.07268	0.1
183.08054	0.2
187.03906	0.3
189.01857	0.2
189.05496	0.1
189.07050	0.1
190.02632	0.3
191.03386	9.4
192.03802	0.1
194.02112	0.2
194.07300	0.1
195.08061	0.3
197.06041	0.1
197.09702	0.1
205.06516	0.1
207.08072	0.4
209.04439	1.6
210.06718	0.2
211.07521	0.3
213.09094	0.2
219.02946	0.3
221.05942	0.2
223.07597	0.1
225.09090	0.2
229.04959	0.3
234.06699	0.2
235.07506	0.5
237.05450	0.3
238.06244	0.3
239.07010	1.2
249.05446	0.1
252.07762	0.2
253.08571	1.5
255.06505	0.2
262.06372	0.1
263.06952	0.9
265.04999	0.2
266.05624	0.6
267.03751	0.1
267.06503	1.8
270.05197	0.3
277.08453	0.1
279.06525	4.1
280.07065	0.5
281.08075	34.4
282.08423	0.5
283.06082	0.3
290.05661	0.1
291.06522	1.0
292.07111	0.1
293.07944	0.1
294.05209	2.4
295.06073	0.8
301.21478	0.1
305.07938	0.1
307.06012	0.8
308.06784	2.3
308.10236	0.1
309.07553	86.4
310.04282	0.1
310.07874	1.7
319.05930	0.2
319.22421	0.1
337.07031	100.0
338.07425	1.9
338.10345	0.1
338.11493	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.69157	0.4
50.95586	0.6
55.05497	0.6
55.81521	0.5
56.96564	1.0
67.05498	1.3
69.03432	1.7
69.07088	0.9
70.06601	0.8
71.14241	0.8
74.06098	0.7
79.05495	1.3
81.07052	1.4
84.08185	0.5
85.02921	0.9
91.05513	2.2
93.07053	1.5
95.04974	1.5
95.08616	1.4
97.02874	0.4
97.06567	0.6
98.97582	3.8
105.07050	1.4
107.04989	0.5
107.08649	0.8
109.06525	1.4
109.10178	1.9
111.04479	0.5
112.99135	3.7
116.98629	1.1
119.04945	0.6
119.08579	1.3
121.10154	1.3
123.11665	0.5
131.00201	2.8
131.08572	0.5
133.10143	0.9
135.04393	1.2
135.08040	0.6
136.07587	0.8
147.04442	1.9
147.11722	0.6
149.01225	0.6
149.05907	0.5
149.09654	0.8
158.99712	0.8
159.11653	0.5
163.03941	3.1
170.06049	1.0
173.01125	1.1
175.03691	7.6
177.05528	1.0
178.04915	0.4
185.04222	12.9
203.03426	1.4
210.14977	0.5
219.01801	1.1
227.08224	0.6
233.03450	0.7
237.02859	1.3
248.06984	0.5
252.20468	0.4
294.05316	0.5
305.06622	0.6
308.09323	0.6
309.07660	1.3
337.08978	100.0
338.09537	0.9
355.09085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.13726	5.3
69.33231	5.3
70.83322	5.1
71.60086	10.5
91.47181	5.6
101.00892	8.5
113.00865	6.9
115.49207	6.5
117.82730	6.3
122.46361	5.6
127.02387	6.5
133.03413	6.4
145.03421	18.9
155.01921	7.9
173.02962	9.9
201.39328	6.7
217.01938	31.0
229.01929	9.6
337.08932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29582	0.3
55.01859	0.6
55.05505	1.3
57.03415	0.3
57.07071	0.7
59.05012	0.4
59.22095	0.4
65.03948	0.9
67.05502	3.6
69.03422	2.1
69.07068	2.6
70.06562	0.4
71.04979	1.3
71.33096	0.9
74.46552	0.4
79.05506	2.5
81.07054	5.6
83.04989	1.6
83.08626	0.8
84.08138	0.4
85.06542	0.6
87.92414	0.4
89.03929	0.5
91.05482	14.4
93.07050	5.7
95.04960	2.3
95.08604	5.5
97.02898	0.4
97.06530	1.7
98.97569	0.4
99.04453	0.5
99.08065	0.4
104.05302	0.4
105.07032	2.8
107.04937	0.5
107.08584	3.5
109.02868	0.6
109.06522	1.6
109.10154	3.5
111.08085	1.2
117.03355	0.6
117.07024	0.8
118.06478	0.4
119.04948	31.0
119.08582	2.7
121.02880	0.7
121.06521	1.2
121.10145	4.3
123.08102	1.8
123.11710	1.6
125.05991	0.7
125.09612	1.4
127.07579	0.4
127.11217	0.4
129.06955	0.4
131.08603	0.6
133.10136	2.0
134.06023	1.3
135.04428	0.7
135.08113	1.0
135.11661	2.0
137.05972	0.7
137.09625	3.4
139.11140	0.9
143.08569	0.6
145.02834	0.7
145.06435	0.5
145.10133	1.5
146.05998	4.1
147.04413	100.0
147.11667	0.9
148.04784	0.4
149.09621	1.0
151.11168	0.8
155.05986	0.5
155.10559	0.5
157.10149	0.5
159.11694	0.8
160.07571	0.8
161.09628	0.8
161.13304	0.6
162.05513	22.6
163.03876	2.9
163.11206	0.9
165.09094	0.7
165.12746	0.4
167.10660	0.7
171.11693	0.5
173.07127	6.0
173.09564	0.5
173.13333	0.7
174.05516	9.0
175.11153	0.5
175.14879	0.5
176.03496	0.6
181.12219	0.9
185.13269	0.7
187.14819	0.5
188.07040	0.8
189.12692	0.5
191.08162	39.3
197.13312	0.5
205.06628	0.4
205.15894	0.6
207.06526	0.6
213.10226	0.5
213.16373	0.5
215.14333	0.6
217.06200	1.0
231.07935	0.5
231.17650	0.4
233.15427	0.8
234.06755	1.1
239.18161	0.4
247.07458	0.4
249.09067	0.6
262.06305	0.8
275.59412	0.4
276.07733	0.8
277.08646	1.1
279.06381	0.7
281.08090	1.3
289.21753	0.4
290.05789	1.4
292.87503	0.4
293.16504	0.4
301.21585	1.5
305.08090	1.8
309.07574	2.5
309.10846	0.6
319.10095	0.5
319.19391	0.4
319.22659	2.0
321.84515	0.4
322.08459	0.6
337.07031	3.9
337.11041	4.7
337.15497	0.8
337.23785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05508	1.0
56.96551	1.7
57.03426	0.8
60.17947	0.4
63.02387	0.7
64.86146	0.5
67.05492	3.1
69.03419	1.6
69.07059	1.6
71.04972	0.4
71.60744	0.6
78.04709	0.9
79.05506	3.3
81.03413	0.9
81.07063	2.8
83.04974	1.3
83.08649	0.6
85.02920	0.9
87.56858	0.4
89.03922	6.8
91.05476	3.4
93.07032	2.6
95.04987	2.4
95.08598	2.8
96.67639	0.4
97.06543	3.4
98.97596	1.2
103.05487	0.9
105.07081	2.3
107.04967	0.9
107.08588	1.6
109.02876	0.6
109.06527	0.8
109.10159	2.2
110.37918	0.5
115.05480	0.5
116.98595	0.9
117.03384	24.5
117.07020	0.8
119.04900	0.7
119.08543	1.8
121.06439	0.6
121.10135	1.1
128.06213	0.5
129.06999	1.0
131.08527	0.7
133.06424	0.5
133.10080	1.1
134.03630	1.5
135.04446	2.2
135.11703	1.0
141.06999	0.7
143.07254	0.6
144.08087	8.5
145.02850	53.1
145.10077	0.9
145.74319	0.5
147.04390	1.4
149.05991	7.9
157.10097	1.1
159.11705	1.2
163.03914	5.9
163.11324	0.5
169.06480	0.6
175.11201	0.9
176.11967	3.1
177.05475	100.0
178.05855	1.0
186.05455	1.4
189.12698	0.5
197.16031	0.5
199.03877	0.9
204.95554	0.4
207.06525	0.5
213.05569	0.9
225.05440	1.6
227.07236	0.7
229.07469	1.3
232.70937	0.5
239.06961	0.8
240.07799	0.7
241.08611	2.6
247.08444	0.4
253.72371	0.5
262.06195	0.7
277.08737	0.8
281.87149	0.5
288.77524	0.5
305.08057	1.2
309.07608	0.9
320.12680	0.7
337.06732	0.6
337.10355	2.2
337.14594	3.9
337.19919	1.1
349.16757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.61276	0.7
53.03950	1.4
55.01867	0.9
55.05260	1.7
55.05514	31.1
55.26385	0.8
57.03181	1.3
57.03438	19.9
57.07076	5.2
65.03941	1.9
67.05509	70.3
69.07073	36.2
69.32313	5.8
71.04983	1.7
71.08627	2.0
73.63865	0.7
79.05499	18.6
80.75306	0.9
81.07064	69.4
83.04984	2.9
83.05445	0.7
83.08624	21.9
85.06551	2.7
85.10183	1.1
91.05489	10.6
93.07053	15.8
95.04955	1.0
95.08612	56.7
97.06524	5.3
97.10178	11.0
99.08113	1.6
105.07049	7.4
107.08608	11.3
109.10166	21.3
111.08105	2.7
111.11734	2.9
113.09669	0.9
115.07562	0.8
119.08571	8.0
121.10160	8.7
123.08121	0.9
123.11726	10.2
131.08643	1.0
133.10138	7.2
135.11682	4.6
137.09647	1.3
137.13281	3.7
139.11252	1.2
147.11653	4.3
149.13283	3.3
151.11133	1.2
151.14825	2.4
153.12791	1.0
160.26012	0.9
161.13283	4.0
163.14848	2.4
165.16489	1.1
175.14836	2.7
189.16464	1.1
245.22668	3.5
263.23718	4.7
337.27390	100.0
338.27692	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03941	2.3
53.24002	0.8
54.49097	1.0
55.05515	38.8
57.03187	1.2
57.03444	22.2
57.07087	5.0
65.03934	2.4
67.05508	80.2
69.03395	1.0
69.07071	40.5
69.79887	1.7
69.80293	2.8
71.04984	2.5
71.08629	2.3
74.03387	0.8
79.05049	1.3
79.05501	22.9
81.07059	82.0
83.04976	2.9
83.05466	0.7
83.08623	22.0
85.06532	1.7
90.66902	0.9
91.05486	13.0
93.07049	19.5
95.04964	1.7
95.08612	61.0
97.06562	4.4
97.10168	11.6
99.08121	1.1
105.07036	8.2
107.08608	12.2
109.06493	1.2
109.10158	23.3
111.08102	2.5
111.11730	2.4
119.08588	8.4
121.10147	9.4
123.08062	1.1
123.11699	9.9
125.09617	1.1
133.10152	6.6
135.11716	5.9
137.09624	1.6
137.13252	3.5
139.11110	0.8
147.11702	4.5
149.13248	4.1
151.14807	1.8
161.13278	4.6
163.14838	3.5
164.65936	0.9
165.16399	1.4
174.16054	0.9
175.14836	3.5
177.16475	0.8
189.16377	1.5
198.97119	0.8
203.18004	1.3
236.49574	0.7
245.22719	3.8
263.23737	5.5
337.27393	100.0
338.27567	1.5
349.11020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03945	3.4
55.01864	1.7
55.05515	40.0
55.33678	1.1
57.03181	1.8
57.03441	24.5
57.07080	9.7
62.47218	1.0
65.03938	3.2
67.05505	81.5
68.05836	1.7
69.03411	1.6
69.07071	50.2
71.04985	3.4
71.08615	2.9
71.59911	1.1
71.60305	1.4
72.08150	1.3
74.09722	1.4
75.50217	0.9
79.05045	1.7
79.05495	24.4
81.07060	83.3
81.12157	1.0
82.07393	2.0
83.04984	3.8
83.08625	28.5
85.06541	3.3
88.07906	1.1
91.05495	14.1
93.07044	23.5
95.04955	1.7
95.08609	63.2
97.06531	5.7
97.10174	15.1
99.08094	3.4
105.07030	12.7
107.08592	13.6
108.08884	1.1
109.06503	1.1
109.10160	25.9
111.08073	2.9
111.11701	2.9
113.09647	1.6
119.08589	10.8
121.10143	13.2
123.08081	2.1
123.11729	10.0
125.09602	1.3
133.10141	9.8
135.11679	7.1
137.09692	1.2
137.13278	4.3
139.11133	1.6
145.10162	1.1
147.11703	6.3
149.13269	2.9
151.11255	1.2
151.14771	1.8
157.10258	1.4
161.13298	5.7
163.14821	3.0
165.12766	1.3
175.14847	3.7
177.16389	1.7
189.16383	1.6
245.22697	2.5
263.23688	6.4
337.10574	1.6
337.27386	100.0
338.27698	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	338.1238
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
50.50777	0.8
53.03946	1.2
55.01867	0.8
55.05505	1.6
56.96560	3.2
57.03436	4.2
59.04992	2.1
60.04523	1.2
61.02934	4.5
62.06087	0.8
69.03431	10.2
69.07050	1.1
70.06598	4.9
71.04976	1.0
71.26527	0.9
71.60242	0.9
72.08164	4.1
73.02909	3.2
74.06081	1.8
81.03439	3.9
83.04978	1.7
84.04488	1.4
84.08146	3.7
85.02911	15.6
86.09688	1.3
87.04450	2.2
89.03934	1.4
91.05481	2.0
95.04953	1.3
97.02895	7.7
97.06502	1.0
98.97600	7.2
99.04453	2.8
101.02400	1.4
103.05485	1.5
107.04966	1.8
109.02869	2.9
110.97561	1.4
112.11199	0.9
112.99229	0.9
115.05458	1.3
116.07096	1.1
116.98599	3.1
117.03378	1.9
117.05724	0.9
119.04927	1.0
120.08110	1.9
121.02885	1.3
122.06049	0.9
127.03905	3.2
128.98628	1.8
129.10245	1.0
130.06543	3.0
131.00182	0.8
131.01831	0.8
131.04930	2.9
132.08084	3.8
134.06000	1.1
135.04427	2.2
136.07596	3.4
139.03923	0.9
140.07082	1.7
143.00104	1.1
145.02869	1.4
145.05006	1.2
146.03198	0.8
146.06003	6.0
146.16521	1.8
147.04401	2.4
148.07579	5.2
151.03792	1.0
158.06018	55.0
158.99683	1.6
159.06752	6.1
160.07574	17.2
161.04742	0.9
163.03906	9.0
164.04274	3.2
170.99635	0.9
174.05551	2.7
175.06285	1.0
176.07074	89.6
177.00667	1.6
177.05304	0.9
177.06619	2.4
177.10175	0.8
195.03046	0.7
197.03032	0.9
201.00626	0.9
203.03397	2.9
219.01775	2.8
227.06729	6.7
235.14391	1.4
237.02805	2.5
321.11636	1.1
338.12366	100.0
339.05576	1.5
339.12372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43351	1.0
53.03943	1.0
55.05503	3.9
56.05044	1.0
57.03442	11.0
59.39503	1.1
62.06092	100.0
66.02010	1.0
67.05503	13.0
69.07067	4.8
69.94306	2.1
69.94709	4.5
71.08640	1.3
79.05499	12.4
81.07063	15.3
83.04986	1.2
83.08614	3.6
85.06535	2.1
91.05497	9.1
93.07040	14.7
93.53616	0.9
95.04971	1.4
95.08606	13.1
97.06496	1.6
98.06057	1.4
98.20807	1.8
98.97594	2.4
105.07034	8.7
107.08591	9.0
109.06496	1.1
109.10157	5.5
112.07558	1.0
116.98624	1.7
117.07031	2.8
119.08555	5.8
121.10162	7.7
123.11666	1.3
131.08537	4.0
133.10141	7.3
135.11674	4.7
145.10107	4.0
147.11664	3.3
149.13245	3.0
159.11676	2.7
160.22375	1.2
161.13255	2.7
171.11621	1.5
173.13223	1.7
175.14816	1.9
185.13211	1.3
187.14816	4.0
193.90923	1.1
221.19052	1.5
246.58803	1.3
259.20532	2.8
264.23303	6.7
274.97388	1.4
277.21658	4.8
282.24237	7.3
320.25873	58.9
321.24228	5.3
338.23148	8.7
338.27289	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	338.2691
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.01861	7.7
55.05514	11.3
56.96571	3.5
57.03427	1.9
57.07071	2.3
58.43008	1.7
61.02925	2.0
62.06094	100.0
67.05505	18.9
69.07076	11.8
69.38583	9.7
69.39007	6.6
70.68258	1.7
71.08643	9.7
74.17622	1.6
76.62974	1.9
79.05497	14.8
81.03398	3.9
81.06713	1.8
81.07066	20.4
83.04974	4.9
83.08611	6.8
83.39219	1.9
91.05492	10.4
93.07053	18.0
95.04951	5.1
95.08606	15.6
97.06529	8.1
98.06065	5.9
98.21483	3.8
98.97575	3.5
99.08105	5.4
105.07030	8.5
107.08601	9.5
109.06461	2.5
109.10168	5.6
111.08090	2.3
111.53640	1.7
116.98650	2.0
117.06985	2.3
119.08585	7.6
121.10133	7.5
123.11701	1.9
125.09595	2.0
131.08531	2.6
133.10152	4.3
135.11629	5.1
142.07666	1.8
145.10104	3.2
147.11667	4.2
149.13171	3.3
151.11208	4.1
161.13219	4.5
163.11133	2.5
175.14876	2.7
179.14398	3.7
182.04738	2.0
196.13394	2.0
222.18523	5.1
224.19983	2.5
240.19574	8.2
241.19449	2.4
259.20490	3.2
277.21518	8.5
289.18530	1.8
306.91748	2.1
320.25882	89.1
321.24133	3.8
338.23694	6.5
338.27234	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	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78815	0.6
53.03937	0.7
53.16350	0.7
55.01859	1.8
56.96553	3.2
57.03425	2.6
60.04511	1.4
61.02924	1.2
67.05491	1.2
69.03429	4.9
70.06587	2.5
71.20467	1.3
71.20791	0.9
72.08141	2.8
73.02920	1.2
74.06071	1.0
79.05480	3.1
81.03437	3.6
81.07046	0.7
83.04983	1.2
84.04505	2.3
84.08139	4.8
84.96040	0.8
85.02908	7.0
85.06548	0.8
86.09704	1.6
89.03931	5.6
91.05480	2.9
94.06570	0.8
95.01324	1.3
95.04958	1.5
97.02887	6.3
98.06073	6.3
98.97594	6.5
99.04459	1.2
103.05494	1.1
105.07026	1.0
107.04912	1.5
109.02876	2.6
110.97588	0.9
111.04448	0.9
115.05494	1.7
116.98620	2.2
117.03387	7.4
117.05729	1.0
118.06526	1.4
119.04916	2.6
120.08064	0.8
121.02876	5.0
122.06035	1.7
123.04439	3.2
123.08044	0.7
127.03912	2.5
128.98605	1.3
129.10216	0.8
130.06529	3.7
131.00215	1.2
131.04945	2.4
132.04514	1.6
132.08096	6.9
133.06477	1.2
134.06020	1.5
135.04416	15.9
136.07649	1.1
137.05975	1.2
139.03867	0.9
140.07085	11.9
141.01877	1.4
142.06520	1.8
143.00163	0.7
144.06927	1.1
144.08070	7.6
145.02858	13.3
145.05037	0.9
145.07651	0.9
146.06024	1.4
146.09648	1.5
147.04419	31.5
148.07576	1.1
149.01283	1.1
149.02344	3.0
149.06021	4.0
151.07561	1.3
156.08133	2.2
158.06001	1.5
158.99678	1.9
159.04414	1.8
159.06630	2.6
159.09149	4.3
160.07593	49.2
161.05963	1.6
162.03065	0.8
163.03915	64.8
165.05499	1.2
171.09155	1.6
172.07518	4.5
172.09943	1.7
173.07094	0.8
173.10788	2.2
174.07787	1.1
174.09187	2.2
175.03908	3.8
176.07076	3.1
177.00575	1.0
177.01910	2.2
177.03853	1.1
177.04115	0.8
177.05334	16.1
177.06688	6.1
177.10223	9.0
183.09157	6.0
184.07544	2.2
187.03897	2.5
187.08727	1.3
189.05464	1.5
190.08786	0.7
191.03391	1.2
201.00674	1.0
201.10210	4.3
202.08647	10.0
203.03403	100.0
204.03683	1.5
205.04906	4.0
205.06671	1.1
207.11215	0.8
215.03333	4.3
217.05013	1.0
219.01756	2.7
219.11302	10.2
225.10149	0.9
229.04976	2.9
231.02937	13.4
233.04471	3.3
237.02817	4.4
237.05113	1.5
246.05794	1.3
255.11296	1.0
256.04968	1.6
257.04889	1.1
257.12820	0.9
261.03964	5.1
264.06531	0.8
267.11310	0.9
274.10709	1.0
279.05060	7.6
285.12357	1.6
286.10715	1.0
291.04956	4.4
292.11731	1.7
296.11203	0.8
298.05869	1.2
303.13354	2.3
304.11734	5.8
316.59818	0.9
321.05972	1.3
321.14276	5.2
322.12915	3.9
330.18411	0.7
339.07458	3.4
339.12152	4.4
339.15616	10.9
358.08310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01861	1.0
56.96569	0.6
69.03417	1.3
70.54620	0.8
78.90199	0.4
79.05494	0.7
81.03399	1.6
84.08133	0.9
85.02898	0.9
89.03917	5.0
91.05500	1.0
95.01318	0.9
97.02890	1.4
98.97568	0.5
99.04398	0.6
103.05479	0.9
103.20162	0.5
107.04933	1.0
109.02880	0.9
110.06123	0.4
115.05450	0.6
117.03378	12.7
119.04951	1.0
119.08527	0.6
121.02859	1.2
123.04422	1.7
127.03915	0.9
129.03383	0.6
131.04935	1.5
133.06454	0.4
134.03636	0.7
135.04422	7.4
136.07629	0.4
137.02368	0.4
137.05937	0.6
145.02846	33.1
147.04410	24.0
149.02373	2.9
149.05960	5.1
151.03825	0.5
153.01836	0.8
157.02852	0.5
159.04396	0.8
161.05994	1.4
162.03157	0.7
163.03906	27.8
167.07085	0.8
173.06018	0.9
175.03899	3.7
177.01837	2.6
177.05466	64.8
185.02220	0.5
187.03877	1.8
189.05539	1.1
191.03424	0.8
193.04947	0.6
195.02977	0.6
195.06432	0.5
201.05455	0.9
203.03391	100.0
204.03841	1.1
204.05652	0.9
205.04929	4.9
205.06563	2.3
207.06480	0.9
213.05470	0.6
215.03355	3.3
219.02921	1.3
219.06476	0.9
221.04367	0.8
222.06595	0.5
229.04939	2.7
231.02861	10.9
231.06555	0.9
233.04045	2.4
233.06145	1.5
236.04662	0.7
249.03810	3.5
249.07613	0.8
250.06252	2.0
251.07068	0.6
257.23596	0.5
261.03897	5.2
277.15460	1.3
278.05670	1.2
279.04822	6.7
279.09573	0.5
281.04510	1.3
291.04913	4.6
295.05801	0.6
303.04977	0.5
306.05396	0.6
307.06198	0.6
321.06247	0.6
321.09723	0.9
324.06372	0.5
329.10309	0.6
339.08401	11.1
339.14642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.5
53.03956	1.3
55.01891	1.4
57.03454	1.4
61.02933	0.5
67.05520	0.6
67.54595	0.5
68.99819	0.8
69.03442	4.8
70.54673	0.5
70.55011	1.4
71.04990	1.1
73.02913	0.6
78.60491	0.5
79.05505	0.6
81.03423	12.1
81.07091	0.5
85.02914	4.0
89.03920	6.2
91.05486	1.3
95.04955	0.4
97.02914	1.8
98.97588	1.9
99.04483	2.0
103.05475	0.6
105.03401	0.7
107.05000	0.7
109.02884	4.7
111.05585	0.7
117.03384	22.7
120.08156	0.7
120.67953	0.4
121.06492	0.5
127.03892	2.3
131.04910	0.6
134.03639	1.5
135.04431	1.2
137.05986	1.2
145.02852	52.5
147.04425	1.2
149.06000	8.7
149.12140	0.5
153.01833	14.9
159.04416	0.5
161.05867	0.7
162.10295	1.7
163.03938	2.3
165.01862	0.5
167.07076	0.6
175.03928	1.8
177.05475	100.0
179.03477	0.8
185.07861	0.6
188.08252	3.2
189.05476	0.9
191.07079	0.5
192.04170	5.7
193.04936	1.3
195.02893	6.4
195.06581	3.1
201.05481	0.6
203.03526	0.5
204.05705	0.5
205.04959	47.1
207.06532	0.6
217.04951	1.5
218.05644	1.5
219.02959	2.2
219.06462	3.9
229.04935	3.4
231.06461	3.7
232.05182	0.5
233.04237	3.8
233.08017	0.6
236.04733	0.7
237.03893	0.7
247.06006	2.3
249.03931	53.6
249.07571	14.4
250.06236	0.8
257.04395	0.5
259.06116	0.9
275.05383	2.3
278.05719	1.1
279.08740	0.8
281.04486	1.0
293.06525	6.8
295.08221	6.1
296.07224	0.5
307.06107	0.8
321.05917	6.8
321.09641	9.0
322.10681	0.8
322.13928	4.7
324.06445	0.9
339.07074	58.1
340.07474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03937	2.8
54.49351	0.4
55.01860	1.3
55.05492	0.6
55.18596	0.4
55.20928	0.4
57.03430	1.6
58.96468	0.4
65.03938	1.2
67.05495	0.9
69.03428	8.6
69.07058	0.5
69.25118	4.6
71.04978	1.2
72.93783	0.7
73.02912	0.8
79.05496	1.1
81.03420	17.5
81.07052	2.3
85.02906	6.3
89.03919	7.0
91.05484	36.0
93.07032	1.6
95.05002	0.9
95.08602	1.4
97.02883	2.3
97.06519	0.8
98.21491	1.2
98.97618	1.1
99.04458	3.4
103.05468	0.7
105.03389	0.6
105.07045	2.8
106.04103	0.5
107.08582	1.0
108.04597	0.5
109.02883	9.5
109.06537	0.7
109.10143	0.9
111.08074	2.2
112.67447	0.5
117.03381	24.3
119.04933	3.1
119.05647	0.5
121.10140	1.0
123.04407	0.8
123.11709	0.7
127.03934	6.8
130.06511	0.9
133.10132	0.6
134.03648	1.4
135.04391	1.4
135.11713	0.6
137.05989	2.8
138.06271	0.5
142.88841	0.5
145.02849	56.4
146.03180	0.7
147.04420	10.6
147.05615	0.7
149.05997	9.1
149.07129	0.4
152.06204	0.5
157.55678	0.5
158.06024	0.9
158.97408	1.3
160.07626	0.6
163.03889	1.7
167.07121	0.9
173.99440	0.5
175.03918	1.3
176.07123	6.3
177.05473	100.0
178.05858	1.0
186.05467	1.1
193.09813	3.7
195.00996	1.0
195.06522	3.0
202.74347	0.5
205.06493	1.7
207.06537	1.9
216.97971	0.7
222.06865	0.6
233.06024	1.1
234.99052	3.6
236.04739	0.6
238.97186	0.6
247.07500	0.7
250.06274	0.8
251.07063	0.7
264.07709	0.9
278.05725	1.0
279.06320	1.1
284.63348	0.5
293.08328	0.6
307.09567	0.9
311.09021	0.8
321.09753	17.5
322.10651	1.1
324.06192	0.5
339.04993	1.2
339.08240	7.2
339.12311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03952	1.1
55.01868	0.5
57.03440	0.5
61.02906	0.7
69.03435	4.3
69.33794	3.9
71.04994	0.9
73.02905	0.7
78.05550	0.4
79.00117	0.4
81.03415	11.0
81.07056	0.5
85.02901	3.2
89.03923	7.6
91.05479	1.1
93.07068	0.7
95.04966	0.6
97.02872	1.3
98.97563	0.5
99.04468	1.4
103.05450	0.6
106.04126	0.7
107.04982	0.5
109.02881	4.1
117.03381	23.4
119.04929	0.6
123.04435	0.6
127.03931	2.9
134.03645	1.5
135.04414	1.2
137.02348	0.6
137.05957	1.4
138.06355	0.5
139.15141	0.4
145.02846	55.9
146.03185	0.7
147.04388	0.8
149.05991	7.5
153.01816	4.2
158.99701	0.4
162.03250	0.5
162.10255	0.5
163.03896	1.2
175.03941	0.7
177.05469	100.0
177.20735	0.5
178.05881	0.5
185.08037	0.5
186.05423	0.7
188.08218	0.7
192.04156	0.7
195.02875	2.0
195.06535	2.8
205.04930	10.5
217.04962	0.5
217.33434	0.4
219.06432	1.0
229.04974	1.0
231.06500	0.8
233.04332	1.0
242.10516	0.5
247.05968	0.6
249.03951	11.4
249.07518	2.2
265.08362	0.6
275.05255	0.5
278.06061	0.5
293.06525	1.1
295.08139	1.5
314.15714	0.5
321.06094	1.3
321.09677	12.0
322.10596	2.2
322.14087	1.7
339.06998	13.3
339.10461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.0
55.01871	21.6
55.05518	31.1
56.96559	4.0
57.03424	18.1
57.07069	22.3
59.60072	4.3
65.03922	6.8
67.05512	73.2
69.07074	33.3
70.04840	9.2
70.05257	13.7
70.06572	6.9
71.04989	6.5
71.08624	8.1
79.05501	56.1
80.38066	3.8
81.03413	15.8
81.07061	90.0
83.04984	27.8
83.08611	11.1
85.06538	4.4
88.07623	13.2
91.05487	64.9
93.07050	59.4
95.04975	63.3
95.08611	44.8
97.02876	9.0
97.06510	8.6
97.10163	9.7
98.07341	5.4
98.21405	5.6
98.97561	8.8
103.05496	4.8
105.07040	51.1
107.04962	63.7
107.08594	28.2
108.05721	6.6
109.06507	37.8
109.10176	24.0
111.04412	9.4
111.08079	7.6
112.05207	8.9
113.06004	10.2
115.05511	5.4
117.07011	23.2
119.08588	34.8
121.06520	20.9
121.10149	14.2
122.07259	17.8
123.04434	5.5
123.08096	5.5
123.11704	5.6
125.05985	4.9
129.06970	13.2
131.08583	30.8
133.06483	16.1
133.10127	15.5
135.08034	20.0
135.11707	12.8
137.09578	11.3
141.06987	6.7
143.08556	13.7
145.06496	9.9
145.10159	22.1
147.08043	27.1
147.11684	7.0
149.02357	23.6
149.09622	7.1
149.13269	6.9
151.07521	6.9
155.08632	5.1
157.10092	6.9
157.79655	4.2
159.07986	9.2
159.11688	15.5
159.96753	4.0
161.09595	20.2
161.13228	4.7
163.11191	9.4
165.09109	10.4
169.10175	8.3
171.11690	11.3
173.09708	5.2
173.13252	12.9
175.11043	3.7
177.05418	12.7
187.11169	6.2
187.14848	14.1
189.12671	4.6
193.04965	52.6
197.13199	9.3
205.15878	7.3
215.14284	13.6
217.15855	5.5
224.65811	20.8
224.67686	4.5
233.13255	5.4
233.15378	71.2
256.26358	13.5
265.17975	27.1
273.18475	9.8
274.97513	9.4
290.18771	7.9
292.98526	4.6
339.27676	100.0
339.78018	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01873	1.1
55.05516	4.3
57.03424	1.0
57.07075	1.5
58.69064	0.7
63.02372	0.9
67.05506	4.9
68.78793	0.7
69.03438	6.2
69.07072	6.7
70.06567	0.7
71.04983	2.2
71.60275	0.7
79.05492	6.1
81.03426	7.5
81.07063	14.9
83.04986	2.4
83.08634	1.1
83.26746	0.8
85.02897	3.0
85.06541	3.0
89.03913	13.6
91.05479	5.1
93.07052	9.9
95.04956	2.3
95.08610	8.6
97.02879	2.2
97.06532	2.5
99.04460	1.9
100.07579	0.8
103.05477	0.7
104.86556	0.7
105.07024	4.9
106.04163	0.9
107.04941	4.7
107.08591	5.9
109.02888	4.2
109.06525	2.6
109.10161	8.9
111.08086	4.4
115.05463	2.2
117.02599	1.3
117.03392	24.5
117.04226	1.3
117.07020	1.0
118.08660	2.5
119.04948	1.1
119.08574	3.5
121.06465	0.9
121.10159	5.9
123.08066	1.9
123.11720	3.2
125.06014	1.1
125.09654	2.5
127.03917	3.2
127.11194	0.7
131.04950	0.9
131.08556	2.0
132.08107	2.8
133.10123	2.7
134.03661	1.2
135.04427	24.8
135.08035	1.0
135.11713	2.4
137.05981	2.0
137.09605	3.0
137.13264	1.0
139.11200	3.0
145.02853	49.9
145.10129	2.1
146.03233	0.8
147.11700	1.9
149.05978	6.2
149.09657	0.9
149.13205	1.4
151.03928	0.9
151.11166	0.9
157.10117	1.3
159.11720	1.6
160.07590	75.2
161.07991	1.3
163.03915	100.0
164.04305	2.0
165.09193	1.2
167.07025	1.1
167.10741	1.4
175.14922	0.8
177.05476	59.9
177.10246	15.7
177.12662	1.0
178.05894	0.9
181.12286	0.8
186.05522	1.0
193.12334	0.8
195.06532	1.4
199.14851	1.3
201.16420	1.0
205.06511	1.3
207.06519	0.8
218.07298	0.8
219.08081	2.5
221.05959	1.4
232.05118	0.8
235.07553	1.1
246.06859	1.2
247.07599	3.4
248.08449	0.8
249.05484	1.2
252.37561	0.8
263.07101	0.8
264.07874	1.6
275.07004	1.1
278.05759	1.6
279.10294	1.5
285.22031	0.9
292.07343	0.9
293.08246	0.8
295.06088	0.7
303.23239	2.4
307.09583	1.4
310.10263	0.7
311.09082	0.8
321.09933	5.8
321.24319	3.1
322.10532	1.4
339.08618	5.1
339.12534	3.8
339.17386	1.7
339.21671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	4.7
55.01858	3.6
55.05513	12.3
57.03425	4.2
57.07066	2.7
59.04991	1.7
66.89806	1.5
67.05511	22.2
69.03432	10.2
69.07077	27.9
71.03799	2.5
71.04998	17.9
79.05505	19.7
81.03434	9.7
81.07063	47.6
83.04976	4.2
83.08604	2.9
85.02873	3.8
85.06536	4.2
87.04479	1.4
89.03927	8.1
91.05486	12.6
93.06463	2.4
93.07053	49.4
95.04977	14.6
95.08611	47.0
97.02894	3.2
97.06560	7.3
97.10162	3.1
99.04457	3.4
99.08085	2.9
105.07032	16.2
107.04960	1.8
107.08600	19.6
109.02875	4.0
109.06519	9.2
109.10170	21.6
111.08091	9.8
111.11727	2.6
117.03383	22.8
117.07021	2.0
118.08671	4.9
119.08583	12.5
121.06480	3.7
121.10157	41.7
123.08079	4.5
123.11723	20.8
125.06067	1.8
125.09640	8.0
127.03911	4.8
127.11204	4.5
131.08572	5.5
133.10168	10.8
135.04417	2.7
135.08089	2.1
135.11703	7.3
137.05988	2.1
137.09637	7.6
137.13275	13.3
139.11174	11.2
143.08591	2.7
145.01727	3.3
145.02853	54.6
145.04637	2.1
145.10126	8.1
147.11696	6.3
149.05994	8.3
149.09624	4.6
149.13295	3.3
151.11160	3.1
153.12758	6.0
156.66037	1.6
157.10136	4.0
159.11716	8.0
160.07590	8.0
161.13272	2.1
163.03915	6.8
163.11185	6.7
163.14891	1.9
165.12743	2.9
167.10664	5.2
173.13194	4.1
177.05487	100.0
177.16414	1.7
178.05734	2.2
181.12254	3.6
183.30946	1.8
187.14799	2.8
189.16365	2.3
195.06528	2.5
199.14839	5.6
215.18011	2.5
217.15919	4.4
221.03262	1.5
221.05728	1.7
223.16797	1.7
247.07397	2.2
252.19591	4.2
267.21072	1.5
276.55786	1.6
291.23178	1.7
295.23615	2.5
303.23196	6.3
307.09637	2.3
321.09872	7.4
321.24326	7.3
339.08594	6.9
339.12164	2.2
339.25220	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.43402	2.3
51.95164	2.4
51.95411	2.3
53.03946	4.9
55.05518	21.0
56.96563	5.3
57.03427	9.1
57.07067	8.1
57.26547	2.6
59.68167	2.4
65.03952	3.1
67.05507	92.6
67.05869	4.4
69.07083	18.7
71.08627	3.3
73.74312	2.3
79.05495	51.1
81.07063	100.0
83.04974	4.0
83.08632	13.1
85.06565	4.1
91.05485	26.3
93.07041	55.5
95.05006	4.4
95.08615	93.6
97.06536	6.3
97.10155	8.5
98.97597	6.7
99.04469	2.4
99.08120	3.6
100.52004	2.2
105.07041	27.4
107.08601	49.3
109.06496	5.0
109.10160	55.5
111.08066	4.1
116.98587	3.0
117.07013	12.9
119.08590	30.6
121.10144	50.5
123.08093	4.3
123.11702	19.4
125.09606	3.6
131.08562	22.5
133.10129	18.7
135.08084	2.8
135.11707	39.0
137.09616	4.3
137.13264	3.8
143.08527	2.9
145.10112	21.4
147.11690	21.0
149.13283	24.4
159.11694	22.1
161.13280	5.5
163.14861	10.1
173.13240	12.6
173.99126	2.4
175.11156	4.3
175.14857	3.2
177.05466	4.0
184.72951	2.5
187.14835	6.3
193.05003	2.8
201.16370	2.6
229.19530	25.1
241.13609	2.4
247.20583	89.3
265.21677	7.6
274.97327	5.7
283.16919	28.3
292.98749	4.5
321.24118	12.1
339.19180	3.5
339.25580	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	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03929	2.8
55.01871	2.8
55.05515	21.2
56.96567	2.7
57.03440	5.7
57.07067	5.5
58.93642	1.7
62.17138	2.3
64.74120	2.1
65.03933	4.2
67.05510	94.9
69.07074	17.6
71.04971	3.9
71.08595	1.9
71.39352	2.4
71.39664	3.9
75.42987	1.9
79.05500	44.0
81.03410	3.9
81.07066	100.0
83.04982	2.8
83.08604	8.3
85.06541	4.0
91.05480	27.0
93.07053	56.4
95.04964	4.8
95.08614	82.8
97.06544	5.7
97.10167	3.3
98.97581	7.8
99.08120	2.2
102.21464	2.1
105.07034	20.3
107.08608	40.7
107.34276	2.2
109.06525	3.5
109.09445	3.2
109.10168	55.0
111.08069	3.0
116.98605	4.0
117.03421	2.5
117.07031	10.2
119.08593	22.6
121.06561	2.4
121.10155	40.4
123.11716	21.1
125.09627	1.9
131.08577	20.9
133.10159	14.5
135.11694	25.5
137.13255	4.5
143.08583	2.4
145.10143	24.3
147.11720	16.2
149.09729	2.3
149.13271	20.4
151.11143	4.2
155.08607	2.2
159.08083	2.6
159.11707	23.3
161.13211	3.9
163.14810	4.9
173.13263	14.4
177.05527	5.8
177.12822	2.3
187.14780	5.1
189.16304	2.4
193.04980	2.1
201.16298	2.1
219.21140	4.5
229.19525	26.4
247.20593	87.9
265.21609	7.2
274.97513	7.2
283.17026	9.7
284.20554	2.3
292.98486	3.8
303.23007	2.4
321.24243	8.7
330.35498	2.3
339.08136	2.4
339.19388	2.8
339.25430	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	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03953	1.0
53.07457	0.8
55.05515	40.2
57.03179	1.4
57.03440	19.4
57.06821	1.2
57.07081	18.2
65.03933	1.1
67.05166	1.8
67.05511	27.7
67.78632	0.9
69.07072	54.0
70.98830	2.0
71.04988	2.5
71.08638	8.3
73.00835	0.8
79.05502	12.0
81.07062	31.1
83.04977	1.8
83.08627	34.2
85.06536	2.1
85.10174	4.4
88.82508	0.8
91.05463	2.8
93.07052	15.3
93.50185	0.7
95.08611	28.3
97.06532	4.8
97.10178	17.9
97.22366	0.8
99.08057	1.4
107.08598	11.1
109.10164	12.9
111.08075	3.1
111.11725	5.8
121.10149	15.8
123.11731	4.4
125.09647	2.4
125.13294	1.7
135.11728	9.3
137.13271	1.7
139.11165	1.4
140.82268	0.8
149.13289	4.8
151.14902	1.7
153.12753	1.6
163.14894	1.9
165.16365	1.6
168.85744	0.8
177.16405	1.0
217.62169	1.0
235.20399	0.7
247.24290	3.5
254.20802	0.8
265.25327	3.5
304.48581	0.9
339.28983	100.0
340.29083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
53.83617	1.8
55.01861	6.3
55.05497	2.3
56.96568	1.9
57.03422	6.7
59.90440	2.2
61.02912	6.2
65.91336	2.1
67.05504	3.3
68.05025	2.1
69.03429	40.1
70.06577	4.9
70.87390	5.1
71.04991	5.5
72.08144	3.6
73.02911	6.4
74.06063	3.0
79.05496	2.5
79.52917	1.9
81.03413	28.0
81.07035	2.9
82.03746	5.1
83.08588	2.4
84.04508	2.8
85.02908	100.0
86.06073	2.9
86.09714	2.0
87.00829	49.2
87.04461	2.7
89.03915	4.0
91.05481	2.7
93.07034	3.9
97.02898	31.0
98.97580	5.5
99.04470	14.6
103.03940	2.0
105.01871	72.6
109.02878	30.6
112.63922	1.8
117.01873	1.8
117.03387	16.2
118.03677	9.9
127.03925	75.1
129.01845	3.5
129.07054	2.4
130.04982	2.3
130.57880	1.8
137.06017	4.7
145.02867	37.3
145.04950	35.4
146.03177	25.8
149.05986	4.8
149.09550	1.8
150.06345	3.7
159.02885	10.7
162.03270	2.4
177.05476	56.9
178.03545	2.4
178.05879	44.8
182.32344	2.0
189.03979	2.6
208.06746	2.3
211.13087	2.2
219.06573	4.4
231.04980	19.5
234.06281	2.0
249.06131	4.6
251.09149	9.4
263.03967	2.3
278.17465	2.1
280.06561	2.3
284.42755	2.1
322.10028	10.1
322.23770	4.6
323.10864	4.8
340.08853	7.5
340.25003	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	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.0
57.07066	4.1
58.99854	4.0
62.06093	10.9
62.98245	2.2
67.05514	5.0
69.07058	3.3
70.06570	2.3
71.08611	3.1
71.59751	1.4
77.00505	1.3
77.00913	18.2
79.05482	7.8
81.07054	5.7
83.08607	1.3
88.07645	2.4
91.05489	10.0
93.07048	10.1
95.01949	10.3
95.04948	1.2
95.08595	4.0
97.10145	1.1
99.08066	1.4
100.02493	2.2
102.09179	1.4
103.05453	1.8
105.07032	6.9
107.04935	1.2
107.08594	2.7
109.10130	2.1
117.07023	2.1
118.03497	2.0
119.08578	5.9
120.08116	1.3
121.10143	1.6
123.11701	1.0
129.06917	1.1
131.01889	11.2
131.08508	2.7
133.03474	1.5
133.10118	2.9
134.09656	2.1
135.11565	1.0
143.08513	1.5
145.09154	0.9
145.10146	6.5
146.09662	1.4
147.11630	2.4
149.02156	2.0
149.03009	3.3
150.02620	1.5
155.05621	1.2
157.10170	1.3
159.11673	1.9
173.13231	1.7
185.06708	1.1
187.08191	1.9
193.04961	7.3
194.05315	2.6
197.10188	2.2
201.09605	2.1
201.11299	1.1
205.10844	1.6
215.11230	7.1
219.10664	1.2
224.65665	2.2
225.15843	2.8
227.11235	2.2
229.12880	3.6
231.12393	1.4
238.15862	1.3
241.12802	1.8
243.14426	3.1
247.11661	2.0
256.26285	1.7
261.13339	3.3
269.17523	1.5
270.14960	1.3
275.14896	1.6
289.16501	1.3
294.18512	5.2
297.16974	6.6
299.15140	2.3
299.18533	34.7
315.18048	23.0
317.19626	100.0
318.20016	2.0
322.18460	2.3
322.27368	7.1
333.19153	1.9
335.20676	48.1
336.21039	1.6
338.19623	1.4
339.77863	18.7
340.18896	31.1
340.27908	6.7
341.21017	1.0
358.22299	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67930	2.6
54.53006	2.4
55.05509	16.4
56.05033	4.1
57.03436	2.7
57.07066	6.9
58.02965	12.0
58.06582	5.4
60.04511	4.3
60.08172	2.2
67.05508	30.6
68.53047	2.7
69.07073	31.8
69.26765	22.6
70.06597	71.3
71.04980	2.5
71.08626	4.1
72.85761	1.9
79.05492	12.2
81.07063	41.0
82.06586	13.3
83.08612	8.6
84.04514	20.2
84.08124	5.4
86.09700	2.7
87.04458	3.1
91.05492	4.5
93.07056	11.8
93.68782	2.3
94.06564	4.2
95.08611	38.7
96.08096	3.5
97.10193	5.3
105.07053	3.6
107.08577	5.3
109.10171	10.8
110.70799	2.2
112.11202	2.5
112.61560	2.2
119.08569	4.1
120.15345	2.2
121.10154	5.5
135.11726	3.0
140.14377	4.1
145.10135	4.3
152.14325	6.2
162.12790	8.4
168.17490	84.6
168.18910	4.8
180.13826	15.3
198.14903	100.0
226.18027	4.5
251.36371	2.4
298.27484	2.9
305.24554	3.5
322.27484	6.4
340.28531	51.5
340.39359	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	340.2846
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03952	0.9
53.77724	0.6
55.01883	0.8
55.05258	0.9
55.05514	15.3
55.85483	0.6
56.05030	1.5
57.03423	1.1
57.07077	5.7
60.04527	32.0
65.03931	0.5
67.05167	0.9
67.05511	12.8
67.67120	0.6
69.07070	22.6
69.46802	3.4
69.47218	0.8
70.06579	0.9
71.04989	1.5
71.08623	2.2
72.04552	0.7
79.05495	5.2
81.07062	18.0
83.04966	0.9
83.08623	16.1
86.06035	0.7
91.05482	4.7
93.07055	5.9
95.08035	1.0
95.08611	14.1
96.08943	0.7
97.06528	2.2
97.10168	11.0
99.08032	0.9
105.07040	4.3
107.08578	4.2
109.06519	0.5
109.10166	8.7
111.08064	1.0
111.11732	3.0
113.09658	0.7
119.08607	4.7
121.10139	3.0
123.08069	1.0
123.11702	3.8
125.09578	1.0
125.13266	0.9
128.14357	1.6
133.10124	5.1
135.11705	2.6
137.09612	2.8
137.13232	2.0
137.14236	0.5
139.11227	0.8
140.10713	0.8
142.15916	12.1
147.11676	3.4
149.13257	1.4
151.11172	1.3
151.14774	0.6
153.12738	0.8
154.12274	5.9
161.13237	2.0
163.14813	1.4
165.12827	0.7
168.17526	1.8
172.13385	3.6
175.14868	1.2
179.14262	0.5
182.19061	1.5
184.17014	1.3
204.12392	0.5
245.22678	3.4
262.25284	0.9
263.23746	6.5
280.26361	14.5
298.27420	16.1
322.27390	4.1
340.28473	100.0
341.28854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0873
Annotation	3-O-beta-D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
52.40892	0.3
53.03934	0.6
55.01874	0.3
55.05507	0.4
56.96561	0.4
57.93637	0.3
59.05003	0.5
61.02935	0.4
65.56429	0.4
69.03431	1.8
69.07077	0.3
70.06604	2.5
71.58926	0.4
71.59290	0.4
72.08144	1.3
73.04745	0.9
77.03995	0.4
77.68085	0.3
79.05470	0.6
81.03415	0.9
81.07047	0.7
84.04488	0.5
84.08167	2.1
85.02915	2.4
86.09708	1.2
87.04459	0.4
89.03910	1.0
91.05850	0.4
95.04966	0.7
95.08583	0.5
97.02896	1.2
97.06548	0.5
98.64743	0.4
98.97601	1.1
103.05499	0.5
105.03416	0.8
105.07043	0.6
107.04957	3.9
110.07169	0.9
111.04433	0.5
111.35826	0.4
113.03480	0.6
115.05494	0.6
117.03403	0.8
117.06998	0.6
121.02850	1.8
122.03661	0.4
123.04441	12.3
127.03939	0.6
129.06892	0.5
129.10245	0.5
131.04945	1.1
133.02863	11.2
135.04440	2.7
137.05954	2.2
143.05016	0.4
143.92282	0.4
145.02841	0.5
145.06468	0.6
145.63144	0.4
147.04398	0.9
151.03891	4.5
153.05505	1.0
157.06500	0.6
160.05237	1.1
160.07652	0.5
161.05994	1.1
163.03914	2.8
163.07574	0.5
165.06947	0.5
167.07025	0.6
173.06081	0.4
174.06879	0.5
175.07503	0.7
177.00655	0.5
177.69875	0.4
179.03409	100.0
180.03760	0.4
181.04941	0.6
187.07565	1.2
203.07030	3.2
207.06438	0.6
211.07582	0.6
217.08633	0.9
219.06337	0.7
221.06001	0.9
234.06755	0.6
236.08194	0.4
237.02896	0.5
237.09250	0.7
248.08565	0.4
249.05524	0.7
251.10765	0.4
265.08575	1.3
267.06506	0.7
291.10159	0.4
295.06116	0.7
297.15182	0.4
323.05530	0.6
323.09067	0.4
323.12506	0.7
324.12451	0.6
329.05560	0.4
341.12241	4.4
341.17194	0.8
345.37360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01868	2.8
57.03438	3.1
59.04967	0.6
61.02907	1.1
62.25926	0.4
62.45137	0.4
62.91651	0.4
69.03435	15.8
70.86810	1.1
71.01318	0.7
71.05001	6.0
73.02885	1.4
73.04724	1.1
75.04453	0.9
76.72067	0.4
79.05460	1.3
81.03421	18.5
84.08106	0.7
85.02892	0.7
87.04408	0.6
91.05788	1.1
95.04944	0.6
98.21211	0.8
98.97591	0.8
99.04467	6.3
101.67072	0.5
105.06948	0.5
106.06026	0.4
106.06553	3.9
107.04934	1.1
110.97422	0.5
116.04960	0.7
116.98653	0.8
117.05468	1.9
118.05310	0.5
121.02842	1.1
122.16721	0.6
123.04395	0.6
131.04878	0.6
131.06007	0.5
133.07613	7.7
135.09100	0.4
137.05948	1.5
143.06041	0.8
147.04419	0.9
153.05396	0.7
156.66539	0.5
161.05966	1.1
161.07089	4.7
163.03874	1.5
163.08672	6.2
167.07025	0.9
173.07152	0.7
177.06693	0.9
179.03503	2.2
181.08559	0.6
189.06612	17.3
191.08185	6.7
193.08507	0.7
203.07024	0.6
207.07661	100.0
208.08037	0.7
218.33743	0.4
218.95372	0.4
229.09491	0.5
231.07962	0.5
246.46175	0.6
249.08838	0.7
259.81381	0.4
275.77002	0.4
287.10324	1.1
293.28561	0.5
305.11221	2.8
323.12390	42.7
341.13480	21.2
359.02893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01872	4.7
55.05494	6.5
56.45810	1.8
57.07066	2.3
64.53932	2.0
67.05492	8.1
69.03421	7.2
69.07077	16.8
70.74857	1.9
70.75185	4.8
71.04982	5.3
75.81699	2.0
78.04705	2.1
79.05505	19.3
81.03413	4.9
81.06643	2.8
81.07069	30.7
83.04971	2.9
83.08633	2.4
85.02874	3.8
85.06535	3.4
86.09721	2.1
88.31625	1.7
91.05470	21.5
91.31110	1.9
93.07047	16.2
94.04205	3.1
95.04951	8.3
95.08627	14.9
97.02858	2.3
97.06505	6.0
97.10144	3.6
98.97585	2.7
99.04414	2.7
103.05427	7.2
105.07041	23.2
105.95314	2.2
106.04162	3.0
107.04961	30.7
107.08569	6.7
109.02911	3.4
109.06548	3.4
109.10145	11.6
111.04451	2.0
111.08102	9.5
115.05422	7.2
116.06220	3.4
117.03320	3.4
117.06991	5.1
119.04890	4.0
119.08585	7.4
121.02900	3.1
121.06519	5.0
121.10172	9.6
122.03611	6.1
123.04408	7.1
123.08018	3.8
123.11669	6.8
124.05224	4.8
125.09570	2.9
126.50943	2.0
127.03899	2.1
128.06247	12.9
129.07008	57.0
130.06490	3.0
131.04924	7.2
131.08557	5.3
132.05690	3.5
133.06497	16.5
133.10136	4.7
135.11684	4.7
137.05986	55.3
137.13303	2.2
139.11153	7.5
141.05304	1.9
141.06973	4.3
144.05698	11.9
145.02808	4.5
145.06474	9.6
146.03177	4.1
147.04393	5.2
147.08043	4.9
147.11649	2.4
149.06020	3.7
151.03842	5.4
151.07523	3.0
151.11221	12.8
152.04694	4.0
153.05464	8.5
153.12700	3.2
155.04897	13.0
155.05951	2.9
156.05678	5.9
157.06490	4.7
159.07013	2.5
159.08081	27.5
160.05164	3.8
161.04745	3.5
161.05984	37.3
161.08131	2.1
161.09639	6.4
161.13420	2.5
163.03891	2.7
165.07028	4.0
167.07048	69.3
167.10687	3.1
169.06384	2.4
169.12204	3.1
172.05167	5.7
173.05925	2.3
174.06726	3.1
175.07558	24.3
177.05466	11.5
177.09123	2.9
178.06046	3.1
178.07765	14.5
179.06987	6.6
179.08427	3.2
181.06615	2.2
187.03995	3.8
187.07562	100.0
189.07024	10.7
189.09068	8.1
190.07753	5.6
191.07005	3.3
191.08540	10.7
192.09265	2.6
193.10152	4.5
194.07426	2.3
195.08028	4.4
199.07498	2.7
199.14857	2.5
201.05467	2.7
202.06223	2.7
202.07848	16.0
203.08560	16.3
205.06474	14.3
206.07318	22.4
207.08035	7.2
208.08698	3.2
209.09502	3.7
217.06482	7.4
217.08592	5.6
218.07202	7.0
219.08102	17.8
220.05127	2.1
220.08818	7.5
221.06148	3.7
221.09636	27.8
222.06783	3.6
223.07481	6.7
231.08003	12.2
233.05946	4.9
234.06755	28.6
235.07520	13.5
237.09059	8.5
238.09920	3.4
245.05959	6.2
246.06883	2.7
247.07643	12.5
248.08313	9.0
249.09103	43.2
250.06259	3.1
250.09882	5.1
251.07082	22.8
251.10526	5.5
259.07468	6.2
261.09189	2.3
262.06219	7.0
263.06882	4.5
263.10626	5.3
265.08685	14.9
266.09433	16.9
268.88412	2.1
271.09683	3.5
276.07806	4.1
277.08640	26.9
278.06073	2.2
278.09207	4.6
279.06467	9.4
279.10110	8.6
280.10907	3.8
281.11740	85.0
281.14838	4.0
283.09604	5.9
287.23627	2.9
291.10031	8.7
293.08102	6.1
294.08856	17.0
295.09665	9.2
298.36688	2.0
305.24664	5.8
308.10391	2.6
309.11218	99.7
310.11826	8.8
311.09021	12.8
311.12662	4.8
313.14136	3.4
323.12827	4.5
326.11435	12.4
341.10162	8.6
341.13779	87.4
356.39481	2.4
359.02686	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01868	6.0
55.05519	13.3
56.24801	2.8
57.03412	4.5
57.07063	6.9
59.04998	3.4
65.03944	4.2
67.05512	24.5
69.03416	10.8
69.07072	39.4
70.06598	5.4
71.04983	11.6
71.61011	2.9
72.95144	2.3
78.04700	3.2
78.93005	3.0
79.05497	33.9
81.03415	6.8
81.07063	93.2
83.05012	5.8
83.08621	8.2
85.06550	20.9
89.03915	3.3
91.05476	24.8
93.07049	52.3
94.04194	3.4
95.04973	12.7
95.08616	49.4
97.06530	19.9
97.10177	3.6
99.04449	9.7
99.08102	6.8
103.05470	5.6
105.07032	39.4
107.04957	34.1
107.08601	37.3
109.06547	13.6
109.10164	43.2
111.04417	3.0
111.08095	37.6
111.11733	3.1
115.05445	8.2
117.07003	3.6
119.04925	6.5
119.08587	18.5
121.06523	5.9
121.10158	33.9
122.03647	8.5
123.04433	6.1
123.08068	9.1
123.11716	37.4
124.05213	4.3
125.09639	10.7
128.06241	18.2
129.07011	58.5
130.06570	16.1
131.04944	11.1
131.08594	6.7
133.06493	10.2
133.10135	15.9
135.04369	3.2
135.11719	15.9
137.04977	5.5
137.05991	71.4
137.09619	6.3
137.13255	7.6
139.11188	18.6
141.09071	2.7
144.05721	12.2
145.02901	5.2
145.06502	8.5
145.10130	6.3
146.03424	2.5
147.04442	7.1
147.08041	6.2
147.11679	8.7
149.09636	3.3
149.13272	6.7
151.03857	3.0
151.07599	4.4
151.11188	80.1
152.04749	4.2
153.05516	7.3
153.12726	10.1
155.04921	12.5
155.06015	4.3
155.10654	5.5
156.05673	6.0
157.12231	6.5
159.04419	4.6
159.08064	29.1
159.11693	2.7
160.07590	3.7
161.05988	33.3
161.07968	2.9
161.09612	6.4
161.13223	6.7
163.03909	8.8
163.11238	4.3
164.04288	7.2
165.06976	7.2
165.12787	5.1
167.04892	3.2
167.07060	73.7
167.08386	2.5
167.10710	5.4
169.12260	26.5
173.13232	3.2
175.07565	27.6
177.05496	6.2
177.09148	2.8
177.16360	3.8
178.06064	3.4
178.07773	11.9
179.07120	5.4
179.10675	5.2
181.12277	5.6
187.03964	7.5
187.07564	100.0
187.89917	2.7
189.06966	6.4
189.09146	5.1
190.07758	5.9
191.07062	3.2
191.08609	12.4
192.09268	4.4
193.10222	4.8
195.07965	2.8
197.11555	2.9
199.07590	7.2
199.14746	3.2
201.05344	5.1
202.07831	12.7
203.08563	14.6
205.06541	12.6
206.07257	23.5
207.08064	7.3
217.06496	6.3
217.08572	3.8
217.19527	2.7
218.07315	7.5
219.08096	24.1
220.08766	9.4
221.09624	28.0
223.07553	6.6
231.08040	12.1
234.06760	26.4
235.07515	11.2
235.20567	4.4
237.09102	7.4
237.18533	5.7
238.09796	4.4
245.06067	4.0
247.07564	8.9
248.08292	11.3
249.09120	45.1
250.09738	4.3
251.07057	15.5
251.10634	6.1
253.08452	3.1
259.07504	5.5
262.06317	3.2
263.07031	5.7
263.10779	4.0
265.08450	12.4
266.09384	15.2
276.07782	3.3
277.08713	21.0
278.09338	3.2
279.06534	8.1
279.10052	7.1
280.10782	3.3
281.08466	3.7
281.11731	75.4
282.12183	2.7
283.09738	4.1
287.23679	11.2
291.10141	7.3
293.08017	7.3
294.08813	14.5
295.09610	10.4
305.24738	25.5
309.11221	86.5
310.11862	9.2
311.09109	8.9
311.12711	6.5
323.09225	3.6
323.25760	6.0
326.11508	6.3
341.06650	4.4
341.10281	5.2
341.13779	77.6
341.24149	3.3
342.14075	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	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.7
54.05368	3.1
55.01868	10.4
55.05514	29.7
56.02137	3.4
56.96571	6.4
57.03437	7.9
57.07059	8.2
59.25134	3.4
65.03909	5.0
67.05168	3.2
67.05511	44.0
69.03420	16.9
69.07070	63.5
69.65760	3.2
70.06609	4.8
71.04992	19.1
71.60072	5.0
74.06079	4.4
76.17337	4.0
77.27094	3.0
79.05494	40.8
79.94958	3.3
81.03416	12.1
81.07062	95.7
83.04991	15.9
83.08618	17.0
84.04562	3.6
85.02891	10.2
85.06523	14.1
88.61172	3.4
91.05467	29.0
93.07054	92.3
95.04977	24.7
95.08036	6.0
95.08611	83.1
97.02901	6.0
97.06541	20.4
97.10143	8.8
98.97591	10.5
99.04434	5.9
99.08088	7.2
100.11210	4.1
103.05453	11.7
105.07043	36.9
107.04960	38.9
107.08590	40.8
109.02847	6.6
109.06539	25.1
109.10159	45.2
111.08100	28.4
111.11696	11.1
115.05442	9.7
117.07024	8.3
118.08650	3.9
119.04906	5.6
119.08572	20.8
121.02857	3.6
121.06470	8.0
121.10150	68.3
122.03686	7.5
123.08045	10.3
123.11724	26.2
125.05973	4.9
125.09652	16.2
127.03894	3.7
127.07569	5.8
127.11181	4.9
128.06245	4.9
129.04581	3.9
129.07013	19.5
131.04910	13.0
131.08583	17.5
133.02834	7.9
133.06476	10.0
133.10136	14.7
135.08049	4.3
135.11717	19.3
137.04990	6.6
137.05983	100.0
137.09627	16.6
137.13242	6.7
139.11212	22.4
141.06973	4.3
143.08563	5.4
144.05598	4.9
145.02863	7.5
145.10107	15.2
147.03293	6.0
147.04414	8.4
147.08044	5.7
147.11716	6.6
149.01253	4.2
149.05980	7.7
149.09648	10.3
149.13274	7.5
151.03876	5.0
151.07555	5.5
151.11183	6.6
153.05482	7.5
153.12749	4.4
155.10672	5.6
157.06543	7.2
157.10173	8.2
159.08051	5.5
159.11699	12.1
161.05981	20.2
161.09702	5.0
161.13333	4.7
163.07494	5.9
163.11223	6.3
167.07072	18.8
167.08394	4.7
167.10698	23.6
171.08066	3.7
171.11780	4.8
172.05202	5.2
173.13304	7.4
175.07571	29.2
175.14839	5.2
177.05438	14.2
177.12724	5.1
177.16399	4.1
178.07764	5.9
179.05896	6.0
181.08580	3.6
181.12260	4.6
185.13326	4.6
187.04039	4.1
187.07585	29.8
189.07085	5.3
189.08997	7.5
189.12735	4.1
190.07681	5.1
191.08589	7.5
199.07565	6.1
202.07790	7.7
203.06937	5.2
203.08542	12.7
205.06551	8.2
206.07260	4.1
207.08017	4.1
208.08748	6.8
210.14815	4.2
211.07645	6.9
217.08580	8.4
218.07268	5.8
219.08057	25.2
221.06039	4.2
221.09654	7.9
222.06731	6.1
223.07645	3.9
231.08025	10.4
234.06702	13.1
235.07454	9.6
236.08321	7.8
237.09053	11.0
238.09689	15.1
239.07005	8.0
247.07600	16.3
248.08263	10.4
249.09015	13.9
250.06223	5.4
251.06963	7.3
251.10724	18.5
253.08362	3.9
257.07999	9.6
259.07562	5.1
261.09384	3.6
263.07153	7.2
263.10727	7.5
264.07761	5.6
265.08606	21.3
266.09283	7.3
271.09549	5.1
276.07910	3.5
277.08588	12.2
279.10178	22.4
280.10669	3.3
281.08261	3.9
281.11703	14.0
282.09030	4.9
287.23706	5.6
291.10117	12.1
292.10873	3.9
293.08203	4.2
295.09583	6.5
296.10419	4.7
297.11288	11.1
303.11090	9.6
305.24637	12.3
308.06885	4.2
309.07690	7.5
309.11133	20.7
309.14136	3.8
310.11792	6.2
311.09390	3.7
311.12701	13.0
311.26126	3.5
313.10867	5.9
313.14566	3.3
319.12167	8.9
323.09396	9.5
323.12827	11.8
323.25955	31.1
326.11020	4.2
341.06503	6.2
341.10022	24.1
341.13867	48.4
341.24472	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	341.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	47.0
57.07074	39.6
59.05001	4.1
64.17924	3.2
67.05510	20.7
69.07071	100.0
71.04980	9.7
71.08642	33.1
71.60226	3.8
73.06578	3.4
79.05511	16.1
81.07061	57.5
83.08620	64.4
83.80672	2.9
84.66817	3.1
85.06523	11.7
85.07018	2.7
85.10200	17.7
85.63474	2.7
91.05482	11.6
93.07062	21.7
95.04982	3.5
95.08611	48.1
97.06541	15.5
97.10168	39.8
105.07020	25.2
107.08602	22.0
109.06483	6.8
109.10159	30.3
111.08079	8.4
111.11724	20.6
113.09599	3.2
115.07558	8.5
116.79837	3.0
117.07024	3.5
119.08618	22.5
121.10138	19.8
121.13185	3.0
123.08072	7.0
123.11707	16.4
125.09636	5.4
125.13247	8.6
127.07600	4.1
129.09094	6.0
131.08513	7.6
133.10107	24.4
135.11652	11.7
137.09572	7.1
137.13261	10.6
139.11131	4.6
139.14780	4.7
141.09106	3.4
143.08530	5.1
145.10109	8.1
147.11688	11.7
149.09663	3.4
149.13257	8.5
151.11205	7.4
153.12750	5.7
155.08467	3.1
157.10049	4.5
161.13271	9.6
163.14806	4.6
165.12761	10.7
169.10057	4.7
171.11613	3.8
175.14807	7.1
177.16388	5.3
179.14302	13.9
183.13777	4.2
193.15871	6.8
197.15378	3.5
201.12802	2.9
207.17383	4.4
263.27426	4.3
287.27396	5.9
305.28632	6.7
323.23447	2.9
341.26770	29.0
346.78857	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	341.3204
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05509	18.4
55.53838	2.5
57.03431	9.4
57.07078	44.3
67.05505	36.1
69.07072	32.1
70.62102	6.3
70.62471	5.9
71.08643	21.8
76.43491	3.3
79.05489	12.3
81.07061	85.4
83.08640	22.5
84.69264	2.5
85.10175	10.5
91.05477	11.2
93.07051	33.5
95.08612	92.6
95.09218	4.8
97.10168	14.7
105.07037	22.4
107.05018	2.8
107.08600	45.2
109.09442	4.7
109.10165	62.2
111.11729	6.1
119.08588	25.8
121.10143	34.3
123.11709	32.6
131.08565	3.0
133.10139	21.0
135.11697	27.0
137.13277	14.5
143.41737	2.9
145.10098	8.8
147.11693	17.7
149.13272	24.1
149.71695	2.7
159.11739	7.2
161.13309	17.5
163.14836	18.1
173.13271	8.0
175.14807	13.2
177.16379	17.3
187.14809	3.6
189.16422	12.9
191.17934	9.6
203.17946	16.9
205.19440	3.0
215.17984	5.9
217.19524	16.5
229.19545	3.5
231.21022	9.9
243.21158	3.1
245.22639	4.6
257.22543	3.8
259.24298	3.8
267.26431	2.7
285.25671	3.5
320.95410	3.0
341.26151	5.7
341.31659	100.0
341.36154	5.3
341.39462	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	342.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70367	0.5
56.96566	1.0
62.63172	0.6
69.03417	0.9
70.06593	1.5
70.86604	1.4
84.04483	1.1
84.08152	0.7
85.02920	1.0
94.06574	0.7
97.02922	0.9
98.06068	5.1
98.97586	1.7
109.02917	0.6
116.98619	0.6
122.06077	0.8
136.07347	0.6
137.05951	1.0
140.07068	8.7
143.03166	2.3
156.07761	0.7
162.05292	4.4
163.03918	1.3
177.05525	0.6
180.06339	14.0
185.04268	4.5
201.07439	0.6
203.05299	18.0
211.07916	0.8
324.10587	4.9
342.11633	100.0
343.11920	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	342.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.6
57.03432	4.6
57.07073	16.4
58.00381	1.8
67.05502	2.0
69.03414	7.2
70.06589	30.4
70.30554	7.4
71.04973	2.1
73.02904	2.5
74.06073	2.2
79.05483	3.7
81.03397	5.0
81.07050	5.5
83.08602	6.6
85.02900	16.6
86.09697	7.9
89.06033	42.2
91.76533	1.8
93.06996	2.5
97.02900	6.9
98.20403	2.0
98.97629	2.1
101.09657	19.2
105.07043	3.2
107.07066	44.2
107.23931	1.7
109.02882	2.2
110.97566	1.9
111.08069	2.0
112.91071	1.7
121.02879	2.0
124.07612	2.3
137.05962	5.3
140.04652	2.0
145.04912	4.0
147.04402	2.1
155.11852	2.2
163.13290	100.0
172.80208	1.9
173.01077	1.8
181.04973	11.6
183.14941	5.3
211.14529	3.4
283.05948	2.7
297.07715	9.1
306.24570	1.9
324.25278	4.7
325.07031	5.9
342.10349	2.0
342.14285	2.3
342.26569	6.9
343.08261	10.2
343.11758	3.4
343.17178	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.4
56.05033	1.0
56.96554	1.2
58.06603	5.9
59.40719	0.7
62.06052	0.7
65.03929	1.0
67.05484	2.2
68.23270	0.6
68.79004	0.7
69.03441	0.8
69.07056	1.7
70.06568	3.0
71.04963	0.7
71.08631	4.0
71.60142	1.3
72.04497	3.2
72.08136	1.7
79.05486	2.3
81.03399	0.9
81.07069	4.0
81.78522	0.7
83.04989	6.4
83.08656	0.8
84.08155	0.9
85.02896	1.0
86.05575	1.5
86.06072	25.4
91.05447	2.1
93.07046	1.8
95.04938	1.5
95.08586	2.2
96.08129	4.9
97.06527	1.0
98.09697	10.0
99.08082	1.6
101.06029	4.4
105.07037	1.6
107.04871	0.7
107.08561	1.6
108.08096	2.1
109.06534	0.8
109.10135	1.1
111.04443	6.9
111.08111	1.0
113.05972	0.7
116.10733	22.8
117.07031	0.7
119.08581	3.4
121.10124	1.8
122.09669	1.5
124.07575	1.9
129.05460	1.3
131.04866	0.8
134.09648	1.3
135.10399	0.8
136.11180	0.8
137.05963	2.3
138.06377	0.7
142.08633	13.0
143.10652	7.6
145.10121	0.9
145.74570	0.9
155.07031	1.9
156.07999	0.7
157.12434	0.7
164.10680	5.3
170.09760	0.8
171.10457	1.0
172.11211	0.8
177.05495	0.7
180.13846	1.6
181.04999	1.9
182.15431	5.0
184.11174	1.6
184.13277	1.3
185.12041	0.8
190.12238	5.2
198.12769	2.3
198.14845	1.9
200.14270	0.9
208.13329	7.2
212.14351	30.0
212.46851	0.6
213.15082	2.7
214.16019	1.6
214.18053	4.8
226.14346	32.6
234.53186	0.7
244.15460	100.0
245.15721	1.4
324.21786	1.3
324.25235	6.6
326.21252	4.3
342.19791	6.3
342.24261	93.3
343.11700	1.7
343.24600	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	342.2428
Annotation	Malouetamide
Peak:m/z	Relative Intensity
55.05497	0.9
56.96547	1.0
58.06585	1.7
58.82876	0.4
63.86137	0.4
67.05487	1.2
69.03415	0.7
69.07068	0.7
69.67444	0.4
70.06592	1.4
70.25996	0.4
71.61068	0.7
72.04515	1.0
72.08164	0.5
75.44526	0.4
75.97197	0.4
79.05490	0.9
81.07043	1.8
83.04974	0.5
85.02887	1.0
86.06073	2.4
91.05478	0.8
93.07040	1.1
94.42502	0.4
95.04974	0.9
95.08613	0.9
98.97585	0.7
98.98183	0.5
102.57919	0.5
105.07019	0.9
107.04971	0.7
107.08613	0.6
109.10087	0.5
111.08098	0.4
116.72150	0.4
116.82304	0.5
119.04891	0.4
119.08541	0.6
121.10178	0.5
124.07534	0.6
137.05957	0.9
138.06306	1.1
155.05080	0.4
156.08118	2.1
167.06985	0.7
170.09653	1.8
171.10416	2.8
176.07941	0.6
181.04956	1.6
184.11240	0.8
185.11966	1.3
187.13533	0.4
198.12798	3.2
199.06004	0.5
200.14314	0.9
212.14357	28.0
213.15088	3.4
214.15921	0.9
226.16029	2.1
244.15428	0.5
259.17026	0.5
311.09317	0.4
324.25235	1.2
326.21182	5.8
342.20566	3.4
342.24286	100.0
343.11786	1.3
343.24551	1.3
349.05957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16208	12.6
55.01885	13.5
55.05499	29.8
57.03437	16.4
65.42809	12.6
67.05517	100.0
67.64330	13.3
69.07073	56.4
71.04976	22.5
71.08614	17.2
73.06555	27.9
76.37751	12.2
79.05486	50.8
81.03403	22.0
81.07053	74.6
83.04996	17.2
83.08607	19.0
85.06565	12.4
91.05469	58.6
93.07062	68.9
95.08607	84.7
98.09676	19.7
98.20663	22.5
105.07047	51.4
107.08601	35.4
109.10161	21.3
117.07006	13.9
119.08574	39.9
121.10140	36.3
129.06927	13.2
131.08545	29.9
133.10141	28.9
135.11693	29.6
145.10136	31.8
163.11153	20.1
181.12326	14.8
188.79022	14.7
189.12837	16.4
195.13849	16.8
230.24820	18.9
275.20102	49.1
321.53415	14.6
342.25391	29.3
342.37256	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.1
55.05506	8.9
57.03430	4.8
57.07073	15.6
61.16658	2.3
67.05511	25.0
69.07063	11.0
71.08611	7.4
71.60078	4.2
74.02422	4.1
76.29941	2.7
79.05475	11.1
81.03410	3.5
81.07064	26.2
83.04953	6.3
83.08611	4.9
85.06547	4.5
91.05455	13.3
93.07036	13.3
95.04979	4.7
95.08623	19.2
97.10142	2.9
105.07037	14.9
107.04955	4.8
107.08576	13.0
108.70715	2.8
109.06482	3.9
109.10166	21.1
117.07021	4.2
119.08584	7.5
121.10134	6.1
123.08064	3.2
123.11714	6.6
125.09604	8.9
131.08569	6.8
133.10135	29.7
135.11723	3.8
137.09605	5.5
145.10097	4.4
149.09622	3.9
151.11179	33.3
163.11157	6.4
163.14922	2.5
173.13272	2.7
174.18613	5.2
179.10675	3.5
183.13797	9.6
217.17357	2.4
230.24786	3.1
275.20053	22.0
283.26212	6.2
289.99393	2.7
290.27505	3.0
293.21024	5.3
307.22626	7.6
342.27057	5.0
342.30713	8.2
342.37323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28425	3.7
54.09631	3.9
55.01865	8.9
55.05512	66.0
57.03425	5.0
65.51583	3.8
67.05517	25.2
69.03418	9.3
69.07070	28.4
71.89491	4.0
74.06083	4.3
79.05503	41.4
81.07063	24.8
83.04985	6.5
83.08623	31.9
88.07607	4.4
91.05465	17.8
93.07059	25.2
95.04922	6.2
95.08586	18.0
97.10174	80.3
98.21609	8.4
98.97617	5.6
105.07007	21.8
107.08604	100.0
109.06527	4.4
109.10147	9.3
111.08070	7.2
117.07018	9.6
119.08601	9.5
121.10167	6.7
123.08076	5.0
125.09636	76.3
129.06934	4.3
131.08505	9.3
133.10109	12.0
135.08058	22.1
135.11667	4.1
136.92093	3.8
137.46033	6.0
145.10153	15.4
147.11655	8.2
153.09164	21.9
157.12285	5.2
159.11707	9.5
185.13339	5.6
198.77336	4.5
203.12776	82.7
203.14502	7.1
212.25720	3.9
213.92926	3.9
239.17900	6.2
257.19012	16.2
275.20053	43.6
289.21582	10.9
307.22601	7.7
318.36356	4.3
342.21027	4.5
343.18735	7.1
343.22672	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	343.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.3
55.05522	2.8
57.03425	2.7
60.60182	1.8
65.03945	6.4
67.05494	4.9
69.03426	6.8
69.21886	19.7
69.22163	1.4
70.06595	2.2
77.03930	3.0
79.05502	4.0
81.03426	11.2
81.07091	3.9
82.04189	1.7
85.02915	9.8
86.09731	2.8
89.03919	5.0
89.84230	1.7
91.05489	32.0
93.07042	5.0
95.04972	12.8
95.08600	2.9
97.02914	3.3
98.12209	1.8
105.07026	2.9
107.04983	3.3
107.08593	2.6
109.02861	1.9
111.04418	6.0
119.04945	36.7
121.10168	3.2
123.04443	3.0
127.03909	2.9
132.02063	2.7
133.02870	2.7
135.04420	11.4
135.11697	2.3
136.05153	2.0
137.05980	2.5
138.03142	1.9
139.03940	5.9
140.04680	5.5
145.02847	2.9
145.05014	2.3
145.06390	2.0
145.10098	2.3
147.04424	32.1
153.05450	3.2
155.07057	2.6
157.04002	6.4
161.05981	2.0
163.03912	8.3
163.11205	6.9
171.06561	2.4
175.03914	57.1
179.07056	4.3
181.03360	3.6
181.04977	72.1
181.12248	6.2
199.05951	2.3
207.06544	100.0
245.81885	2.0
297.07523	4.2
299.05481	2.3
307.24551	1.8
319.63419	1.9
325.09259	6.7
328.05804	5.2
343.08130	16.2
343.11823	4.6
343.17136	3.1
343.26660	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01862	3.0
55.05506	1.4
57.03425	3.1
57.07072	1.1
61.00186	0.7
61.02937	3.8
65.03922	1.1
67.05502	1.5
69.03429	16.6
69.07047	1.4
69.75761	4.5
70.06600	0.7
71.04989	2.4
73.02915	2.3
79.05500	5.1
81.03423	8.3
81.07056	9.2
83.04988	5.9
84.08113	0.7
85.02908	35.8
85.03425	1.8
86.09702	1.4
87.04458	1.8
91.03970	1.6
91.05475	4.8
93.07043	9.2
95.04972	19.6
95.08597	1.4
97.02901	12.0
97.06520	3.1
99.04449	3.1
103.03949	0.9
105.07029	8.3
107.04926	1.1
107.08598	11.2
109.02885	5.3
109.06517	2.2
117.07025	3.1
119.08585	4.0
121.06490	3.7
121.10146	11.4
123.04452	1.0
123.08027	0.9
125.05996	10.1
127.03922	6.7
129.07013	0.9
130.07773	3.2
133.06439	1.5
133.10172	1.4
135.04518	0.8
135.08044	0.9
135.11688	7.6
137.05991	1.5
140.04659	2.1
143.08572	1.4
145.04958	7.7
145.10123	17.2
147.08104	0.8
155.07063	1.2
161.09616	1.5
163.11185	100.0
164.11612	0.9
165.09181	1.4
167.07030	1.1
175.11229	0.8
177.03818	0.7
177.05458	1.1
181.04970	19.3
181.06499	1.5
181.12236	18.8
181.13857	1.2
183.10219	1.5
193.12286	0.8
205.12180	1.5
223.13264	1.6
234.33340	0.7
259.77341	0.7
289.14261	1.2
304.72189	0.7
307.15436	1.2
325.09052	1.6
343.13052	1.5
343.17435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74393	1.5
53.03937	5.9
55.01864	5.7
55.05512	1.9
57.03445	8.4
61.02930	13.4
65.03935	2.7
67.05505	5.2
69.03434	35.5
70.06593	1.7
71.01363	2.2
71.04996	4.4
71.37316	3.3
73.02909	5.5
76.40643	1.6
79.05499	5.8
81.03417	24.0
81.07064	9.7
83.04991	3.1
85.02908	100.0
85.06527	5.6
86.09708	1.6
87.04472	3.5
91.03972	7.4
91.05472	5.8
93.07046	12.9
95.04974	33.9
95.08607	9.6
97.02898	36.0
97.06548	2.4
99.04459	7.1
100.11215	1.5
105.07031	10.9
107.08600	11.8
109.02870	11.5
109.06536	24.2
109.10130	3.4
115.03956	1.8
117.07013	1.6
119.08583	6.4
121.06485	8.5
121.10152	9.2
123.04404	1.7
123.08065	3.5
123.11779	1.9
125.05988	4.9
127.03930	25.5
130.07758	1.6
133.10153	2.9
135.11711	9.0
137.09688	2.6
137.13234	3.9
140.04637	4.5
145.04961	22.5
145.10155	11.4
147.11658	15.1
149.27541	1.6
151.11189	2.3
155.07103	1.8
163.09819	3.2
163.11185	67.2
165.12799	12.8
166.10970	1.6
171.06700	2.0
175.11140	2.3
181.04976	45.7
181.12239	88.2
199.06062	2.3
205.12260	3.9
223.13298	6.8
251.55684	1.5
297.55243	1.5
325.09216	4.5
325.16779	1.7
334.91550	1.5
343.13379	2.9
343.17523	5.6
343.26822	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.91098	3.1
53.03944	9.7
55.01865	6.7
55.05515	24.9
56.96544	3.6
57.03439	10.3
57.07082	15.3
59.05000	6.5
65.03944	3.5
67.05510	29.9
68.33123	2.9
69.03435	12.7
69.07080	7.8
70.30057	10.0
71.05003	27.8
79.05492	29.8
81.07064	32.6
83.04991	8.6
91.05489	43.0
93.07051	93.3
95.04976	70.3
95.08614	100.0
97.06533	20.3
103.05492	5.0
105.07036	99.7
107.04959	4.4
107.08593	68.6
109.06540	18.8
109.10204	5.6
115.05482	7.5
117.07015	36.4
118.18704	3.7
119.08588	36.6
121.06496	22.8
121.10140	18.5
122.07327	3.6
123.08093	36.4
128.06242	5.9
129.07016	8.6
130.07819	20.0
131.08601	10.6
133.06494	9.6
133.10136	23.1
135.08060	33.7
135.11703	22.2
137.05984	4.6
137.09625	8.5
141.06987	6.0
142.07790	4.7
143.08612	15.7
145.10135	97.2
147.07994	15.6
147.11676	8.8
149.09631	8.2
151.07550	61.4
153.09105	5.0
156.09384	4.2
157.10132	12.8
159.08058	4.4
159.11711	9.9
161.09645	10.6
163.11191	72.6
163.12503	6.0
165.09122	21.2
167.06984	3.1
167.08476	3.9
169.10066	7.7
171.11758	8.1
173.09647	7.1
175.11177	9.4
177.09131	7.9
179.07008	6.8
179.10677	4.0
181.12277	7.5
183.11687	6.8
185.13264	4.6
187.11174	9.9
189.12785	9.9
191.14229	5.1
193.10159	4.1
201.12715	4.3
203.14345	13.9
207.10120	4.4
207.13710	6.1
209.15279	5.7
215.14258	6.4
221.15356	43.3
233.15413	3.6
263.16498	10.2
269.15479	6.9
286.19217	5.3
325.21539	15.1
343.11798	4.5
343.22696	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	5.1
53.19668	1.9
55.01867	5.1
55.05514	21.0
57.03431	4.7
57.07087	8.4
59.04999	3.5
65.03947	3.1
67.05508	31.1
69.03437	12.1
69.07082	11.0
71.05003	21.9
71.30724	4.1
77.48709	1.6
79.05489	22.1
81.03413	4.8
81.07060	33.5
83.04984	6.6
83.08616	4.7
85.06534	4.8
91.05483	40.5
93.07050	75.9
95.04980	55.9
95.08614	83.9
97.06532	16.0
103.05476	4.4
105.07037	84.5
105.07755	4.0
107.04980	2.2
107.08601	50.3
109.06535	16.0
109.10170	6.3
111.08110	3.4
114.24803	2.0
115.05443	5.5
117.07020	33.2
119.04983	2.5
119.08589	30.2
121.06516	16.6
121.10137	20.8
122.07307	1.8
123.08073	31.5
125.06016	2.7
128.06287	4.2
129.07050	9.4
130.07800	14.6
131.08572	13.5
133.06532	7.2
133.10136	22.4
135.08073	23.9
135.11705	16.7
137.05986	2.6
137.09622	5.9
141.07001	2.6
142.07768	3.9
143.08572	15.5
145.06512	3.3
145.10132	92.9
147.08081	16.5
147.11702	8.9
148.08893	1.6
149.09622	7.3
151.06393	3.5
151.07553	45.4
153.09128	4.9
155.08522	4.1
156.09348	3.8
157.10106	9.6
159.08061	4.3
159.11703	11.3
161.09634	5.6
161.13269	6.0
163.11189	60.3
165.07056	2.0
165.09082	18.0
169.10126	5.9
171.11699	7.4
173.09665	5.3
173.13269	3.5
175.11227	4.6
177.09105	5.7
179.07156	3.9
181.10115	4.6
181.12273	2.7
182.11008	2.1
183.11700	4.2
185.09738	2.7
185.13295	3.7
187.11205	7.0
187.14880	2.3
189.09131	2.5
189.12807	10.5
191.10628	2.6
191.14343	4.3
193.09966	2.2
195.11732	3.6
197.13298	3.8
201.12717	2.4
203.14301	10.9
207.10103	2.1
207.13823	5.2
209.13277	3.9
209.15390	4.0
211.15062	1.9
213.12610	3.3
215.14363	4.7
217.12166	4.3
221.13301	3.5
221.15361	29.8
223.14902	5.3
225.12740	2.9
225.16443	2.9
227.14427	2.6
233.15459	3.3
240.23285	1.8
245.15329	3.4
263.16464	7.3
269.15433	4.2
274.19376	2.9
286.19138	3.6
287.16684	2.2
287.19876	3.2
301.21686	1.7
303.09836	1.8
307.20581	2.7
325.21683	12.8
325.25027	2.5
343.11633	6.5
343.22690	100.0
343.26190	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	8.1
55.01867	6.1
55.05509	17.0
57.03431	5.9
57.07058	10.3
59.04998	5.6
67.05511	25.4
69.03423	9.2
69.07056	7.4
71.04992	19.9
71.21603	5.7
73.30676	2.4
74.65929	2.2
77.03928	2.4
79.05502	27.5
81.03426	3.6
81.07059	29.0
81.66349	2.3
83.04982	5.9
85.06541	6.8
91.04953	3.6
91.05486	44.0
93.07050	72.9
95.04361	3.5
95.04971	60.1
95.08035	5.2
95.08611	80.9
97.06541	14.1
103.88319	2.9
105.07035	84.4
107.04996	6.2
107.08605	63.4
109.06532	16.3
109.10139	5.8
115.05458	6.1
117.07024	32.5
119.08594	32.9
121.06519	12.0
121.10139	21.7
123.08090	29.1
123.11712	3.0
126.33942	2.4
128.06218	4.6
129.07005	7.6
130.07773	18.4
131.08557	11.2
133.06508	7.3
133.10114	20.3
135.08080	24.9
135.11737	17.4
137.06009	3.4
137.09624	6.2
142.07816	5.4
143.08549	16.4
145.10135	82.5
147.08035	14.4
147.11659	5.8
149.09596	3.9
151.07555	47.0
153.09114	3.1
156.09427	3.0
157.10129	9.9
159.08083	4.5
159.11679	11.6
161.09579	7.0
161.13214	4.3
163.07591	2.6
163.11186	67.6
165.09123	20.5
167.08528	3.4
169.10194	5.0
169.47127	2.4
171.11699	6.2
173.09622	5.1
173.13242	3.8
175.11224	6.2
175.14995	3.1
177.09114	6.2
179.07025	6.0
181.10170	2.9
181.12299	3.5
183.11638	3.7
187.11194	5.4
189.12738	8.8
191.10686	3.4
191.14317	4.4
193.10011	3.3
197.13168	4.1
203.14328	10.1
207.13824	6.4
209.15306	4.0
215.14264	4.8
217.12303	4.5
221.13329	4.8
221.15358	34.4
225.12680	2.9
233.15361	4.4
263.16446	7.7
269.15405	4.3
286.19333	6.1
287.16507	4.0
325.21558	11.1
343.22693	100.0
343.26782	6.3
344.31598	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	5.8
55.01869	7.6
55.05512	21.2
55.15577	4.1
56.96569	7.4
57.03433	10.0
57.07068	9.5
59.05004	9.5
67.05518	39.4
69.03440	9.4
69.07072	13.9
69.96478	7.4
69.96880	12.2
70.06605	6.1
71.04999	21.8
77.90340	3.4
79.05511	31.6
81.07063	46.4
83.04978	11.1
83.08627	8.6
85.06542	8.9
91.05484	43.3
93.07054	85.8
95.04981	67.7
95.08031	7.3
95.08614	92.7
97.06539	16.5
98.20839	4.9
105.07039	95.3
107.04966	6.9
107.08602	61.6
109.06543	23.2
109.10149	11.0
115.05452	9.8
117.07011	31.4
119.08595	40.0
121.06524	21.2
121.10149	28.3
123.08091	32.8
129.06976	8.3
130.07788	16.4
131.08597	11.1
133.06471	7.9
133.10175	26.4
135.08066	32.7
135.11720	18.8
137.06058	4.5
137.09665	7.6
143.08594	11.1
145.06487	5.2
145.10130	94.9
147.08064	14.5
147.11714	7.6
149.09630	10.5
151.07533	53.9
151.08664	6.2
153.09137	4.2
156.09389	4.6
157.10130	13.6
159.07959	4.2
159.11700	13.6
161.09613	12.8
161.13258	10.4
163.11208	65.7
165.09140	17.7
167.08623	7.5
169.10173	8.7
169.27225	4.2
171.11705	6.8
173.09604	11.1
173.13257	8.9
175.11188	9.2
179.07106	6.9
179.08578	4.2
183.11606	3.8
185.09705	5.8
187.11224	7.5
189.09169	6.4
189.12766	19.2
197.13293	4.9
203.14336	10.0
207.13757	6.7
209.15410	4.4
215.14314	5.6
221.15401	32.2
240.23329	4.2
263.16403	7.3
286.19107	6.4
325.21713	10.9
343.08054	6.0
343.11887	10.0
343.18832	17.9
343.22659	100.0
343.26730	7.1
344.31812	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01868	4.5
55.05520	14.3
56.96568	3.0
57.03426	3.4
57.07067	6.9
59.04995	1.7
65.03938	7.6
67.05497	21.1
68.15948	1.5
69.03434	11.8
69.06712	3.1
69.07068	41.7
70.68072	1.5
71.04989	7.9
71.08615	2.4
71.60077	2.4
71.72595	1.8
79.05490	15.9
79.05930	2.3
81.03423	11.6
81.07055	78.2
82.04182	1.7
83.04991	3.9
83.08622	8.7
84.04491	3.0
85.02888	12.1
85.06541	12.5
91.03979	1.7
91.05477	10.8
93.07049	31.3
95.04984	11.7
95.08611	51.9
96.81699	1.7
97.02884	5.9
97.06534	11.6
97.10138	2.6
98.97585	20.7
99.04441	4.0
99.08121	7.9
101.05983	3.4
105.07023	13.2
107.04970	3.7
107.08593	28.5
109.02867	5.0
109.06500	6.8
109.10155	28.0
110.03681	1.9
111.08086	16.7
111.11696	6.3
116.98611	6.2
117.07010	4.0
119.08584	12.3
121.06477	3.4
121.10126	16.7
121.22697	1.5
123.04401	2.1
123.08055	4.4
123.11703	20.4
125.05965	3.6
125.09631	2.4
127.02524	1.7
127.03895	3.0
127.11215	2.2
131.04979	2.7
131.08559	4.1
133.10104	7.1
134.99591	2.3
135.11684	14.7
137.05978	7.2
137.09618	3.1
137.13246	13.2
138.03087	2.3
139.11165	3.0
140.04697	10.8
145.06516	1.7
145.10106	5.9
147.04411	3.5
147.11684	8.9
149.09418	2.0
149.13290	5.5
151.03778	1.7
151.11267	3.6
153.05389	2.5
153.12755	33.8
155.06979	4.8
157.10226	1.5
158.99644	12.4
159.08063	1.6
159.11681	5.3
161.05980	2.2
161.13298	4.4
161.39853	1.5
163.03877	2.2
163.07481	2.6
163.11208	12.1
163.14894	2.9
165.12753	6.3
167.07158	3.3
167.08611	2.0
171.06535	3.2
171.11638	1.9
173.13246	2.6
177.00693	6.2
181.04958	100.0
181.12221	6.2
182.05263	2.7
185.13190	1.9
187.14874	2.0
191.17880	1.7
194.07124	2.1
197.05959	2.4
197.13589	1.8
199.06038	3.0
201.16476	3.1
207.06436	2.4
215.17844	2.2
219.01750	4.2
221.05829	2.1
239.07085	4.1
243.06497	1.6
253.12642	2.3
257.08063	2.4
263.23700	2.4
267.06491	3.2
271.24118	1.8
277.25354	3.8
282.08807	7.1
283.09625	2.1
289.25198	9.7
307.22980	2.9
307.26321	38.6
310.08200	2.2
325.09323	4.0
325.27347	2.0
326.09167	1.7
343.08096	4.5
343.11771	19.2
343.15692	3.6
343.19131	3.7
343.22726	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76269	2.7
53.03954	3.3
55.01863	6.0
55.05513	19.8
57.03431	4.3
57.07062	12.3
57.10532	2.6
59.04995	4.1
62.34420	2.6
65.03943	7.3
67.05511	23.3
69.03424	16.7
69.07067	64.0
70.71481	6.2
71.04980	7.0
72.04765	2.7
73.06559	2.9
73.47367	2.7
79.05515	17.8
80.61009	3.3
81.03410	12.8
81.07058	100.0
83.04977	7.1
83.08631	18.2
84.89838	2.7
85.02910	8.7
85.06540	23.4
91.05486	17.7
93.07051	37.3
95.04952	11.2
95.08028	5.2
95.08608	64.6
97.02876	3.9
97.06522	14.1
97.10176	3.4
98.97593	10.8
99.08070	16.6
101.05984	6.3
103.22821	2.8
105.07020	16.5
107.08601	34.9
107.32278	2.8
109.02866	4.4
109.06517	5.7
109.10157	27.0
111.08083	23.9
111.11687	9.1
117.07000	4.1
119.08582	13.2
121.06506	3.3
121.10139	16.5
123.11696	35.0
127.03915	4.1
127.11162	8.0
129.07010	3.9
131.04948	3.6
131.08540	5.0
133.10136	7.9
135.08087	3.6
135.11702	22.0
137.05968	8.9
137.13251	15.9
139.11166	5.8
140.04642	8.7
143.08583	2.8
145.10095	7.8
147.04372	3.3
147.11694	8.1
149.13242	7.3
151.11174	3.3
153.12753	33.9
158.99669	4.1
159.11673	6.0
159.14787	3.4
161.13268	4.7
163.11171	11.5
164.07071	10.3
165.07065	5.0
165.12788	8.7
171.06503	4.0
181.04965	74.8
181.12256	3.5
195.63133	2.7
205.06488	3.0
221.06090	3.4
222.06992	3.7
237.18391	4.0
282.08878	8.6
283.09668	3.8
289.25180	11.5
295.26233	8.0
304.73871	3.3
307.09488	5.9
307.26303	50.4
325.09650	5.1
325.27563	14.5
343.07947	5.8
343.11746	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40869	0.5
51.28328	0.6
53.03936	0.7
55.01876	1.5
57.03445	2.2
57.10651	0.5
60.04533	2.6
61.02928	3.4
65.03933	0.5
69.03436	7.8
70.06599	1.5
70.29482	2.0
71.04999	1.3
72.08182	0.7
73.02919	1.6
81.03423	3.6
84.08157	0.7
85.02908	23.0
86.09705	0.8
87.04453	1.1
91.03967	1.0
91.05486	17.4
93.04521	3.3
95.04992	0.8
96.04528	0.8
97.02901	8.4
98.21178	1.4
99.04451	1.7
99.57105	0.5
101.00939	0.8
103.05465	0.6
107.04963	1.2
108.66983	0.6
109.02899	2.2
118.06538	0.7
119.04949	45.4
120.09977	0.6
121.03996	24.0
121.06480	1.5
123.04426	6.0
127.03922	4.6
133.05127	0.7
136.07584	94.1
137.07918	1.0
138.06618	0.8
145.04948	4.2
147.04405	3.2
150.07735	1.2
160.07632	0.8
164.07027	4.0
165.05478	8.7
178.08598	2.5
179.08096	0.6
182.08133	100.0
183.08456	1.4
202.07486	1.3
204.04053	0.6
218.08757	1.0
224.09218	4.8
239.07541	0.6
241.03871	0.6
254.08524	0.7
260.09116	0.8
292.10309	0.6
308.11270	2.3
326.12155	1.5
344.09341	0.6
344.13565	3.3
345.13736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01883	0.6
57.03444	1.1
58.10028	0.5
61.02917	1.6
65.03935	0.6
69.03432	3.4
70.06593	1.0
70.72865	1.3
73.02914	0.8
81.03416	2.0
84.08204	0.5
85.02911	17.3
91.05489	5.9
95.04978	0.7
95.70924	0.5
97.02871	3.5
99.04483	1.1
109.02855	1.3
115.88298	0.5
116.07101	0.8
119.04089	0.9
119.04945	18.2
123.04410	2.4
127.03929	2.9
137.48128	0.5
145.04962	3.6
147.04416	100.0
148.04755	1.1
163.06017	0.4
165.05484	49.6
166.05789	0.6
180.08713	1.6
181.04991	2.1
182.05348	2.2
182.08125	0.5
183.08002	0.5
248.08139	0.5
267.67197	0.5
344.13593	1.1
345.13651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80609	2.1
54.52671	1.7
56.96569	4.0
57.03432	3.1
59.05006	57.0
60.08169	5.0
61.02932	3.0
67.04262	4.3
69.03432	8.6
70.06591	14.0
71.58943	2.3
71.81342	1.8
72.08171	6.1
73.02927	2.3
81.03432	2.8
83.06122	2.8
84.04527	2.1
84.08151	4.9
85.02914	29.9
86.09705	5.3
89.06040	15.8
91.05469	4.6
94.02924	3.0
94.06577	2.4
97.02894	8.7
98.97598	3.9
103.07585	63.2
104.71308	2.1
104.71938	2.3
105.07016	2.6
107.06085	13.9
111.05589	5.9
116.07066	3.2
119.04951	4.7
121.04010	13.5
122.06048	15.0
125.01712	8.0
126.02476	8.1
127.03265	9.1
129.10234	2.6
133.07716	2.3
133.08641	8.6
135.04337	2.4
136.07605	3.4
137.05951	3.8
141.04826	3.6
143.03168	8.9
146.05994	11.0
147.04414	44.3
158.99591	2.4
161.10780	4.5
162.05466	2.6
163.03918	7.3
164.07074	91.4
165.05504	20.2
165.11243	100.0
169.04323	15.4
182.05168	5.5
182.08160	4.8
202.06841	3.3
223.09042	6.3
224.08144	2.2
227.92128	2.3
228.11728	7.1
237.02971	2.4
241.10098	18.2
254.63310	2.2
300.17438	31.4
302.09253	2.7
326.12421	7.7
344.09885	2.0
344.13361	18.4
345.13760	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01877	3.2
55.05507	15.6
56.96559	3.7
57.03435	5.9
67.05507	22.6
69.03419	4.9
69.07066	10.9
70.06583	3.9
70.83649	6.1
71.04991	8.2
79.05500	21.4
81.03413	12.2
81.07069	21.7
82.06587	5.7
83.04981	9.0
83.08618	9.5
86.06078	6.2
91.05464	14.1
91.75440	2.4
93.07052	24.8
95.04966	9.5
95.08604	16.8
97.06538	8.8
97.10165	11.5
98.97571	4.7
105.07034	10.0
107.08617	13.9
109.06540	4.8
109.10170	8.0
111.08054	3.6
113.06016	2.8
117.06984	3.6
119.08595	9.1
121.06506	4.2
121.10142	9.4
123.08073	4.8
123.75196	3.0
125.09655	8.6
131.08566	5.7
133.10168	4.2
135.11743	4.7
137.09636	4.6
145.10123	5.4
147.08026	3.1
157.10178	3.1
159.11707	3.5
164.07059	3.0
171.11702	2.5
172.11162	2.9
173.11963	5.1
177.12738	3.3
189.11299	9.2
200.14343	7.2
214.15939	8.9
221.15353	3.7
223.13371	3.3
227.18007	3.0
267.88382	2.5
273.18594	3.4
284.11829	2.6
289.09311	3.0
291.19537	4.2
308.22488	3.3
308.25821	3.2
313.10681	5.7
344.12125	4.5
344.25916	100.0
344.30164	5.2
345.13577	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.7
55.05507	28.3
57.03428	23.1
67.05502	65.9
69.03396	9.0
69.07067	96.6
70.73681	13.5
70.74027	16.9
71.05000	45.8
79.05494	71.2
81.03420	50.2
81.07058	71.7
83.04986	10.4
83.08636	14.9
86.06055	11.3
91.05489	56.2
93.07047	58.1
95.04977	49.4
95.08594	37.8
97.06536	100.0
99.08131	9.8
105.07030	53.2
106.15538	7.2
107.04939	19.0
107.08617	38.2
109.06525	26.0
109.10139	15.3
115.07585	38.3
117.07014	31.2
117.72903	7.0
118.05309	7.6
119.08596	25.1
121.10155	23.1
129.07031	13.6
131.08572	23.4
133.10147	19.6
135.11720	16.8
145.10133	23.2
147.11632	8.1
149.13245	10.1
157.10133	10.5
159.11717	26.5
161.09636	8.9
163.11096	13.3
173.13266	10.0
177.12746	16.4
191.07103	9.5
201.12640	9.1
223.13309	12.0
291.19516	14.2
294.95862	9.0
313.10614	33.4
344.12265	27.4
344.26038	37.7
345.13394	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.05507	18.5
56.96567	6.6
57.03439	9.6
59.47458	4.4
60.04999	5.1
60.32933	4.4
64.49312	5.1
67.05521	33.5
69.03410	5.4
69.07079	30.1
69.22180	4.3
69.30394	15.8
69.30813	25.5
70.06600	7.3
71.04986	13.9
77.44107	4.7
79.05492	39.5
79.62526	4.1
81.03420	18.4
81.07055	40.1
83.04986	9.9
83.08608	12.2
86.79922	4.6
87.42979	4.3
91.05489	26.0
93.07045	32.5
95.04984	34.9
95.08608	22.7
97.06561	33.1
97.10123	5.3
97.75535	4.1
98.21483	8.9
99.08116	5.5
105.07056	21.2
107.04957	9.9
107.08586	20.5
109.06535	16.0
109.10178	10.9
113.05963	5.3
115.07580	6.0
117.07019	12.4
119.08588	16.2
121.06502	8.4
121.10162	11.4
123.08066	8.9
129.07014	10.4
131.08569	14.0
133.10101	7.1
135.08078	6.3
135.11748	13.6
137.09616	10.1
141.64272	4.4
143.08430	4.4
145.10133	8.0
155.08569	4.6
155.34979	4.1
159.11734	11.3
161.09637	9.5
161.13187	5.0
164.07101	10.4
173.11911	5.6
182.05272	6.9
187.13603	4.8
194.71101	4.2
214.15791	8.6
219.13914	5.0
221.15234	4.6
255.17477	5.8
273.18527	16.3
291.19489	15.6
301.10315	4.8
313.10745	11.1
344.12399	7.0
344.18881	4.7
344.22098	6.0
344.25879	100.0
345.13379	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3162
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
55.05506	0.7
56.05041	2.5
57.05819	1.8
57.07088	0.7
58.06603	28.0
65.12486	0.3
67.05501	1.1
69.03447	0.5
69.07067	0.7
69.88592	1.4
70.06596	1.7
71.04951	0.3
71.07381	4.8
71.08623	0.5
72.04541	0.4
72.08159	23.6
73.05301	0.9
81.07079	0.7
82.06593	1.2
82.49112	0.3
83.08631	0.4
84.08136	1.4
86.06071	100.0
87.04466	0.8
87.06400	0.4
87.31358	0.3
88.07649	3.0
91.05494	0.7
93.07031	0.4
95.04965	0.4
95.08640	0.9
97.10160	0.3
98.21466	0.5
99.08106	0.5
100.07626	25.2
102.05565	0.8
104.07125	0.8
107.08595	0.5
109.10121	0.5
120.48528	0.5
126.09201	0.4
165.09125	0.7
176.17590	0.4
193.12196	2.5
218.98169	0.4
227.83417	0.4
270.28043	0.5
280.30060	1.3
284.29645	0.4
291.19641	1.4
308.29376	2.4
326.30551	77.1
327.30817	1.1
344.31583	7.7
345.20541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46168	0.2
66.03461	1.3
69.56990	1.6
70.06580	0.9
70.52678	0.2
74.69096	0.3
80.05016	0.3
83.55640	0.2
85.02908	0.5
93.04533	16.5
110.06065	0.8
116.07141	0.5
118.08654	0.4
119.01889	0.3
121.03997	100.0
122.04343	0.8
136.03946	4.2
136.07550	0.6
138.06613	1.6
148.03973	0.4
152.07118	0.4
162.05530	1.5
166.04985	0.5
177.00938	0.4
179.08168	3.3
182.08186	0.2
183.07697	0.7
184.06099	0.6
190.05040	1.1
201.00975	0.7
203.02423	0.3
208.06117	1.1
211.08727	0.3
215.02419	0.5
219.02029	0.9
219.08638	0.3
225.08794	0.7
231.02063	0.3
236.06714	0.7
236.10890	0.4
240.10162	0.3
243.02016	2.6
248.03023	0.3
254.09274	0.6
255.02016	1.3
261.03110	1.0
265.08575	0.4
273.03131	0.7
282.11301	0.7
299.13962	0.5
302.09286	0.5
316.10648	0.4
345.13605	3.2
345.22498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1336
Annotation	2'-HYDROXY-2,3,4',6'-TETRAMETHOXYCHALCONE
Peak:m/z	Relative Intensity
50.26104	0.5
51.94108	0.5
55.01876	1.1
55.05516	1.6
56.96571	0.7
58.48043	0.5
59.04992	0.6
59.47726	0.5
61.29474	0.6
64.48577	0.5
65.03919	0.6
67.05512	1.7
69.03440	1.3
69.07076	1.5
79.05501	1.6
80.05022	0.8
80.85545	0.7
81.03407	0.7
81.07059	2.6
83.05006	0.9
83.08606	0.9
85.02915	1.3
85.06544	0.9
91.05479	2.7
93.07040	1.9
95.04974	1.1
95.08614	2.1
97.06563	1.4
98.97592	1.9
100.11263	1.4
103.05474	5.3
105.07025	2.2
107.04970	4.0
107.08636	1.3
109.10171	2.2
111.04398	0.7
113.09675	0.7
115.05459	1.5
116.98599	0.9
117.03358	1.2
117.07040	0.7
118.04173	2.3
119.08581	1.4
121.03995	2.6
121.06560	0.8
121.10137	0.8
124.41565	0.6
127.03925	0.9
130.04150	2.0
131.04933	24.0
131.05942	1.2
131.08589	1.2
132.05708	0.9
133.10167	1.1
135.04398	0.7
135.11705	0.8
137.05975	1.9
137.09618	1.4
139.03902	0.7
141.07005	1.1
143.08562	1.0
145.06480	1.1
146.03632	0.9
147.04475	1.4
147.11641	0.6
148.05188	1.3
149.06062	0.6
151.03946	0.7
152.06219	1.9
153.05507	1.3
153.06992	1.9
154.07738	0.8
157.06522	1.0
157.10213	0.7
159.04384	3.4
161.06032	0.7
161.09647	0.6
165.07001	6.4
165.09135	0.9
166.07796	1.6
167.04909	0.7
167.07069	2.1
167.08557	2.3
168.05716	0.6
169.06522	0.7
171.07967	0.7
173.05992	1.2
176.04727	2.7
176.06160	0.9
177.05458	1.8
177.07036	3.0
178.07802	2.6
179.08569	2.3
180.05688	0.8
181.05043	0.9
181.06491	6.6
182.07294	6.1
183.07988	1.1
189.07045	1.0
191.07045	21.0
192.05754	1.3
193.06470	2.8
194.07262	3.4
195.08046	3.2
197.05884	1.4
197.09628	2.3
198.06746	0.9
199.07573	2.2
205.06424	1.5
206.07283	3.2
207.08115	4.2
207.27718	0.7
208.05246	1.1
209.05943	3.3
210.06773	8.1
211.07513	4.6
212.09563	0.7
220.05147	0.8
221.05995	5.0
222.06827	2.8
223.07564	6.7
224.08321	3.1
225.09149	7.9
226.06371	1.2
227.07083	6.3
228.07773	0.9
235.07509	2.3
237.05531	3.3
238.06306	3.4
239.07045	6.0
241.08736	3.0
242.09430	1.9
248.08229	0.7
249.05493	1.5
251.06920	2.9
252.07849	2.2
253.08620	10.4
254.09430	4.3
255.06610	3.2
255.10214	0.8
256.07138	1.0
265.08295	0.6
266.05753	1.2
266.09286	1.2
267.06567	2.7
267.10196	10.8
268.07077	0.7
269.08127	3.8
270.08841	9.4
271.09308	0.7
271.11041	1.1
280.07300	0.8
281.08029	3.2
282.08942	0.9
283.05969	1.7
283.09622	2.3
284.07144	0.8
284.10461	3.9
285.11264	14.3
287.09100	1.0
288.09009	0.8
295.09671	11.6
297.07849	0.8
298.08420	2.5
299.09174	10.4
301.14529	0.7
302.09235	1.9
313.10715	100.0
314.11386	11.9
316.10898	1.4
317.14011	0.8
328.10876	1.8
330.11044	1.5
345.09998	1.5
345.13394	37.4
345.20328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2038
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
55.05502	1.3
67.05487	1.5
69.07052	1.4
69.81322	3.8
79.05482	1.5
81.07061	3.4
91.05468	1.1
93.07036	1.6
95.04949	0.6
95.08599	3.4
97.10142	0.6
98.20805	0.9
104.99269	1.7
105.07036	2.6
107.08603	2.7
109.10159	1.8
109.99251	0.6
111.18193	0.7
119.08591	1.3
121.10135	2.1
123.11696	0.8
133.10165	1.0
145.10162	0.7
159.11684	1.2
201.16385	0.6
242.35289	0.7
262.98199	1.3
313.03516	0.7
327.19250	0.8
345.20383	100.0
345.23810	4.0
346.20688	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.1
55.05503	8.8
56.05046	3.7
56.96583	2.3
58.46699	2.2
58.99574	7.4
60.04491	2.4
65.03942	4.6
67.05508	17.6
69.03430	4.6
69.07075	15.2
70.06239	2.8
70.06599	37.0
70.58673	1.9
71.03698	2.1
71.30110	2.0
71.59302	2.7
72.08161	22.5
74.00662	4.7
76.02221	7.7
79.05508	12.2
79.05883	2.1
80.05024	5.5
81.03413	9.2
81.05801	4.2
81.07066	6.3
82.06581	40.6
83.04978	21.0
83.57759	2.2
84.04504	5.5
84.08147	5.9
85.02906	5.9
86.00653	4.8
86.09197	4.6
86.09711	85.2
86.99051	4.9
88.04009	11.7
91.05485	41.6
93.04529	3.4
93.05086	2.3
93.07048	11.3
94.06564	5.4
95.04966	7.0
97.01119	73.4
97.02905	5.6
98.97581	11.4
99.02699	2.6
100.02177	2.3
102.05522	3.3
103.05493	2.6
105.00100	6.7
105.03439	3.2
105.07030	38.8
106.06561	5.2
107.04956	5.2
107.08586	3.1
108.05311	2.6
108.08150	3.3
109.02869	2.8
109.06527	5.8
110.09695	5.0
115.05446	3.6
116.06312	3.1
116.07100	35.5
117.01881	2.1
117.03338	2.4
117.07004	21.4
117.07577	1.9
119.04933	2.0
119.08583	65.3
120.08089	3.1
120.46927	2.7
121.04007	22.1
121.06482	6.1
122.02753	23.5
122.03580	2.7
122.04350	12.4
122.05987	2.9
123.02642	5.1
123.04429	4.8
123.08067	4.8
124.07610	2.5
128.06229	20.9
129.07018	49.3
129.10246	5.1
130.06525	2.4
131.04964	3.5
131.08588	3.6
132.01202	11.5
133.10156	11.6
135.08049	5.2
137.05972	9.1
137.09602	3.3
138.05435	3.3
138.06349	3.2
138.09125	7.1
140.05286	11.5
141.05501	3.9
143.08566	37.3
145.06532	14.2
145.10173	2.3
146.06015	6.4
147.04417	5.4
147.08052	85.7
148.07576	6.8
149.05945	2.8
150.05481	9.5
153.07018	12.8
157.07649	3.4
158.99617	3.5
159.08109	5.1
160.07584	3.5
161.04161	5.5
161.09647	21.0
163.03867	6.6
163.07524	6.9
165.05460	4.3
165.09138	13.3
166.08636	17.6
171.05588	4.6
171.08041	8.6
172.03957	2.2
177.05360	2.5
179.05125	2.0
181.04993	3.5
184.04396	2.9
184.05910	3.2
184.09700	6.5
186.05841	55.9
189.09108	42.0
191.07132	4.1
199.18109	16.7
205.08560	6.0
207.08244	4.5
207.10170	100.0
221.06271	3.0
223.07634	7.5
224.12778	3.1
225.11215	4.7
227.17581	4.4
229.11778	5.4
235.07478	3.5
239.07149	2.7
241.08897	3.9
248.03217	3.5
248.12860	2.7
250.08774	2.3
273.10172	2.9
275.07974	3.7
289.09778	2.2
296.09921	3.7
310.11111	4.0
314.10922	9.0
318.11935	2.8
328.12152	62.0
329.11575	2.5
330.12549	4.9
341.11414	4.2
346.13495	16.7
346.22342	2.8
346.26840	4.7
347.14984	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24616	0.9
53.03952	1.4
55.01868	1.2
55.05509	4.5
56.96563	0.9
57.03412	1.4
58.06619	0.9
58.99590	1.1
61.02927	1.9
62.53215	1.1
67.05515	1.0
69.03437	5.0
69.07066	4.0
70.06593	14.0
71.60795	1.3
72.08159	5.0
73.02940	0.8
74.06071	2.0
76.02213	1.6
79.05499	3.7
80.05017	1.4
81.03452	2.2
81.07072	1.2
82.06580	1.1
83.04990	1.1
83.08636	1.7
84.04527	1.4
84.08151	3.1
85.02920	5.2
86.06077	2.0
86.09705	25.2
87.10049	1.0
91.05488	5.6
93.07038	8.3
94.06560	5.9
95.04970	1.2
95.07353	9.2
95.08604	1.4
96.08133	16.0
97.02896	2.6
97.06546	3.1
98.97588	3.4
103.05466	2.9
105.07046	10.8
108.08124	6.8
108.63875	0.9
109.02923	1.6
109.08898	1.4
110.06056	1.3
110.09684	30.5
114.05515	1.1
115.03954	1.6
116.07090	14.2
117.07039	1.0
119.04955	1.6
119.08580	5.1
120.08105	19.9
121.04020	5.0
121.06505	2.0
121.10167	1.7
122.02732	11.9
122.04314	1.8
123.04470	1.1
123.08101	1.8
124.07585	1.4
127.03991	1.0
128.98596	0.9
129.10219	1.7
136.07582	2.7
137.05966	2.3
138.06310	1.4
138.08096	2.0
138.09148	36.3
146.06015	1.6
147.04407	1.6
147.08041	13.9
148.07568	8.0
151.64178	1.0
158.99623	1.5
161.09668	2.2
162.05563	1.0
162.07349	1.0
163.03951	1.9
165.09105	4.1
166.01241	1.8
166.08644	100.0
167.08904	1.6
168.83495	1.0
184.09705	8.7
189.09219	2.1
189.12692	1.0
195.08116	1.5
199.18112	2.9
207.08205	2.4
207.10144	20.8
207.13634	1.1
223.07683	1.6
225.14912	1.1
227.17650	1.2
235.07678	1.3
247.12901	1.0
250.08572	2.1
329.10794	2.1
341.11322	2.4
342.11957	1.1
346.14517	4.7
346.22290	1.6
347.15057	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07603	9.0
51.11299	11.0
55.05506	35.7
57.03419	10.4
67.05508	80.8
67.96712	9.6
69.07069	28.7
70.01006	25.6
70.01398	17.9
70.38041	10.4
75.92451	9.5
79.05486	43.6
81.07063	56.4
83.08634	14.5
91.05476	26.9
93.07046	39.9
95.08588	28.1
97.10181	18.1
98.97585	12.6
105.07037	27.4
107.08591	35.4
109.10157	66.9
115.77396	10.6
125.09616	25.3
133.10147	15.1
137.09528	12.7
155.10666	41.8
173.11737	100.0
177.12817	11.1
189.11137	20.6
195.13835	24.0
211.08051	11.0
275.20190	59.6
314.11020	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	346.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.05511	21.5
56.05028	10.9
57.03440	4.4
57.06849	2.2
57.07080	21.8
58.06601	6.9
60.04529	100.0
61.02915	4.5
65.03915	2.7
66.48759	2.3
67.05506	40.6
69.03431	5.0
69.07071	29.5
69.28338	6.5
69.28757	17.4
70.06571	7.3
71.08638	11.6
72.04508	6.2
73.02913	2.7
74.06073	14.1
77.00906	3.9
79.05492	31.4
81.07056	42.4
82.06571	10.0
83.04966	10.9
83.08617	17.3
85.02912	5.6
85.10180	4.7
86.06075	21.8
86.09695	5.0
88.04001	12.2
88.07632	7.2
91.03976	3.1
91.05479	7.6
93.07052	29.2
95.04948	2.3
95.08615	29.9
96.08146	2.9
97.02901	3.1
97.06521	5.1
97.10165	11.1
98.06052	4.0
98.21434	5.8
100.61755	2.6
105.07055	3.4
107.08601	16.5
109.10185	25.2
110.06047	5.5
111.11680	2.2
119.08592	3.5
121.10135	19.6
123.11709	5.4
127.03990	2.1
130.38605	2.3
133.10110	3.2
135.11694	13.0
149.13235	4.3
151.14818	3.1
161.02943	4.6
185.58632	2.3
201.09850	5.4
213.09712	17.5
219.10788	3.6
231.10800	26.6
232.10947	3.2
234.14867	5.0
236.11380	3.2
247.24223	8.1
254.28340	3.8
264.26865	9.4
265.25232	26.6
270.27908	9.6
280.26553	2.6
282.27933	68.1
290.21094	5.9
292.26358	27.9
298.31082	3.0
300.28976	23.2
301.20224	5.8
310.27438	30.1
318.30200	2.9
328.28534	35.3
328.32294	3.9
335.25769	4.2
346.20670	63.0
346.27423	4.8
346.33127	30.7
347.21664	3.5
364.85846	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	347.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
54.12433	2.2
55.01864	11.6
55.05514	100.0
57.03428	11.5
61.42765	2.5
69.03429	21.9
70.06574	5.3
70.77116	7.2
71.01337	3.1
71.04984	4.6
72.08138	3.0
73.02906	6.8
81.03410	4.7
81.07060	4.2
83.08621	62.4
84.04501	2.6
84.08146	6.9
85.02918	29.8
86.09703	10.7
87.00833	8.2
87.04468	4.2
91.60662	2.5
97.02902	27.0
97.06546	2.5
98.97587	7.1
101.09637	4.2
105.01868	5.0
110.07187	2.7
115.03933	59.7
125.02341	9.0
130.06520	2.8
133.05017	14.2
143.06026	3.2
146.06038	3.4
157.07567	2.8
160.07581	8.6
161.04497	22.7
170.05791	2.7
171.05576	14.2
173.07178	4.0
174.07840	3.1
185.07130	7.3
187.08685	11.2
188.08180	5.2
201.03926	5.4
218.10960	3.1
219.05016	6.9
227.66252	2.7
247.04471	5.4
270.10516	3.0
271.11032	5.2
283.08554	4.0
286.10593	3.3
286.13248	15.0
302.12680	3.4
303.11063	3.0
312.11334	7.3
318.12540	4.1
323.52628	2.7
324.17953	2.6
329.11264	3.3
330.12396	35.3
347.08545	3.8
347.15155	53.3
367.62317	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	347.1503
Annotation	Lepidine E
Peak:m/z	Relative Intensity
53.64831	0.3
55.01868	0.5
55.05501	0.5
57.03423	0.3
63.09402	0.3
63.75748	0.3
70.06587	0.8
71.59536	0.5
79.05490	0.7
80.13786	0.3
81.07034	0.3
84.08148	0.6
85.02857	0.6
86.09724	0.9
93.07055	0.3
96.08051	0.3
98.97581	0.9
106.06567	0.5
107.04914	0.3
118.06490	0.3
121.06470	0.4
130.06519	0.7
133.07620	0.6
134.08408	5.2
135.09164	4.5
137.06068	0.5
143.06039	0.5
145.07526	0.8
146.05995	1.3
149.07111	0.8
157.07611	1.2
158.06056	0.3
160.07533	1.9
165.30482	0.3
166.17245	0.3
170.06017	0.6
171.05530	2.7
173.07109	1.4
174.07939	0.8
176.67189	0.3
177.05450	1.2
185.07066	2.5
186.05414	0.6
186.10229	0.5
187.08658	3.7
188.08261	1.2
193.05031	0.4
198.07814	0.4
213.06665	2.5
219.01747	0.5
248.09450	0.5
248.11797	0.5
249.10350	0.4
258.12564	0.4
260.09460	0.4
260.11978	0.4
261.09033	0.3
262.09933	0.3
263.10526	0.5
265.12036	0.4
271.11099	1.0
273.09949	0.4
274.09851	1.4
274.13409	0.6
275.08044	0.4
275.10638	1.1
276.08380	0.7
276.11304	11.9
276.14313	0.7
277.12030	0.8
285.10025	0.7
286.10138	0.5
286.13327	3.5
287.10648	0.6
288.11197	1.8
289.12085	1.5
290.12857	4.3
291.13687	0.6
295.08759	0.4
300.11212	0.8
301.09515	0.6
302.09491	0.2
302.12906	6.7
303.16266	0.6
304.11136	0.7
304.14447	0.9
307.34549	0.3
312.11322	1.3
315.10034	0.8
318.12323	1.5
319.15591	1.2
329.14203	0.6
330.12366	7.8
345.14218	0.3
347.15030	100.0
348.15451	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	347.1673
Annotation	Arg Gly Asp
Peak:m/z	Relative Intensity
55.05523	0.7
56.96565	1.0
65.44017	0.6
69.07050	1.1
69.66774	4.5
81.07047	1.1
91.05531	1.3
93.07085	1.1
98.97583	1.2
133.00487	0.6
135.04492	0.7
136.07588	0.7
140.85469	0.6
145.07613	1.4
146.06062	1.2
157.07639	0.8
158.06248	0.6
160.07567	3.2
164.07167	0.7
167.07140	0.8
170.05981	0.8
171.05559	4.4
173.07115	1.6
174.07916	0.7
177.05449	0.9
185.07153	1.8
185.11534	1.6
187.08665	4.8
188.08238	2.4
220.07285	0.6
264.11542	0.7
271.05942	0.8
271.11185	2.1
285.10355	0.9
286.13388	5.9
302.12930	1.5
303.16159	1.2
312.11414	0.7
313.09546	0.7
330.12350	5.5
347.16876	100.0
348.17145	1.5
359.77313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05508	2.4
56.96569	2.0
57.03420	1.4
67.05503	2.6
68.38148	0.5
69.03424	0.6
69.07070	2.0
70.06585	1.4
70.54357	1.3
70.54718	1.2
72.27371	0.5
74.62611	0.6
79.05499	2.9
81.03446	0.7
81.07059	4.9
83.04981	0.8
83.08639	1.1
85.02926	0.6
91.05480	4.1
91.92571	0.5
93.07055	2.6
95.04971	1.5
95.08617	2.6
97.10179	0.7
98.97601	2.6
99.09231	0.5
105.07040	3.5
107.08604	2.2
109.02878	0.8
109.06528	1.2
109.10201	1.0
111.08066	0.7
115.05379	0.7
116.98576	0.8
117.06995	1.2
119.08572	3.0
121.06472	0.7
121.10157	1.5
125.09656	0.8
128.06268	0.7
129.07042	0.6
131.08606	2.0
133.06508	1.6
133.10147	1.6
135.08086	1.2
135.11662	1.1
137.09564	0.7
143.08568	1.3
145.07649	0.8
145.10109	1.6
147.08051	1.6
147.11699	0.7
151.07500	0.7
157.07631	1.3
157.10072	0.7
159.11716	1.1
160.07597	1.9
161.06075	0.7
163.03938	1.0
163.11224	0.8
167.07069	0.7
170.06085	1.1
171.05533	4.0
171.11618	0.9
174.07872	0.8
178.06274	0.9
185.07140	1.9
187.08614	3.4
188.08221	1.5
193.08583	1.7
195.10178	0.7
195.56859	0.6
236.89960	0.6
271.11169	1.9
273.18774	1.5
285.10150	1.0
286.10376	1.1
286.13373	6.4
286.16037	0.8
302.13138	1.1
303.15967	1.3
312.11499	0.9
313.09454	0.8
318.12360	1.2
321.81134	0.6
329.17398	1.6
330.12433	5.3
347.14972	11.2
347.18411	100.0
348.18741	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	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.01876	0.6
55.05508	1.2
56.96564	1.8
57.07068	1.6
63.85876	0.7
67.05485	0.9
70.02642	3.5
73.02898	1.5
78.47501	0.6
78.74129	0.7
81.07037	1.3
88.07648	0.8
90.31365	0.8
95.08597	0.9
97.02882	1.6
98.97595	1.9
103.46211	0.7
105.06991	1.0
110.97564	0.8
112.95993	0.9
121.10069	0.7
124.87746	0.7
131.00163	2.8
147.03076	1.9
149.01245	3.7
156.03641	4.8
158.99774	0.8
170.99622	0.8
190.46661	0.8
191.02377	1.3
192.39841	0.7
213.74329	0.7
228.05640	1.5
248.57101	0.8
249.14598	2.1
261.24399	0.7
265.14020	0.8
266.14648	3.9
266.64725	1.4
267.68509	0.7
275.15045	1.1
301.25256	0.9
333.48038	0.7
347.17358	7.6
347.21902	100.0
347.33414	1.8
347.67365	3.0
348.22272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
67.05493	9.5
69.07056	2.7
71.60219	3.1
79.05488	3.2
81.07052	7.4
82.89178	2.3
85.71876	2.1
91.05482	4.2
93.07033	4.8
95.04961	2.5
95.08604	7.4
105.07076	3.7
107.08634	4.5
109.10155	4.2
119.08577	3.7
121.10180	2.6
123.57117	2.2
147.11771	2.7
187.08629	3.0
188.08275	3.1
207.62457	2.2
329.20889	59.5
330.12598	3.0
347.14963	10.7
347.21954	100.0
347.25357	4.0
348.22272	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	347.2196
Annotation	Cortexolone
Peak:m/z	Relative Intensity
52.45645	0.6
55.05516	1.4
55.37374	0.6
56.96550	2.6
56.96800	0.7
57.07074	2.1
57.28199	0.6
58.06599	1.5
59.24862	0.6
63.82156	0.8
63.89090	0.6
64.22594	0.6
67.05497	1.7
69.07069	1.1
69.31923	0.6
70.06597	1.6
70.93913	0.8
70.94244	1.1
71.95278	0.7
72.18706	0.7
74.06094	1.7
79.05465	1.0
81.07054	2.7
83.08590	0.9
88.07632	4.0
91.05483	0.9
93.07046	2.0
95.04981	1.1
95.08606	1.7
102.09159	1.2
104.72958	0.6
105.07028	1.7
109.06507	0.9
109.10175	1.3
121.10146	1.1
123.08067	0.7
133.10165	0.7
135.08098	0.8
137.04634	0.6
143.07593	0.6
149.02342	0.9
149.09512	0.6
159.11678	1.1
185.07175	0.8
187.08646	0.9
193.04961	1.5
224.65633	2.4
227.09592	1.0
245.10564	0.8
261.14590	2.7
275.99307	0.8
278.14905	1.0
284.29523	0.8
285.29736	2.7
286.13412	2.4
298.40411	0.7
329.14087	1.7
329.32059	0.9
330.12424	1.0
347.15796	6.4
347.21948	100.0
347.33401	11.9
348.22202	1.1
365.16211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01885	1.1
56.05041	8.9
56.96571	5.3
57.03445	1.8
58.06602	4.7
60.04530	3.2
61.02941	1.6
67.05492	1.2
69.03426	5.8
69.07074	6.6
69.98631	3.8
70.06588	3.3
72.08155	3.6
73.02917	2.5
73.06508	0.8
74.06087	22.9
74.09709	1.7
79.05511	1.3
81.03407	2.4
82.04247	0.9
84.04517	10.3
84.08132	5.2
85.02918	12.3
85.08509	1.0
86.06081	1.0
86.09713	60.9
87.05607	1.5
87.10054	1.1
88.03986	1.6
89.03941	4.3
91.05502	0.9
95.04987	2.1
97.02897	6.1
98.09701	1.5
98.20786	1.0
98.97596	10.7
99.04459	0.8
101.00874	2.0
101.07154	20.8
102.00961	2.5
102.05555	2.3
105.03392	1.3
106.04988	1.5
107.04975	2.3
109.02889	3.4
110.07198	1.4
110.97565	3.2
112.07577	2.0
116.98605	4.9
117.03390	3.0
118.13408	0.9
119.01914	2.1
119.04930	0.8
119.08187	1.1
119.46033	0.9
120.02046	2.8
121.02849	0.8
123.04559	1.0
124.11259	3.2
126.05549	1.5
126.09189	1.5
126.12791	2.6
127.03913	4.1
128.98590	4.7
129.10197	1.1
130.06557	1.6
130.08670	1.1
131.00168	1.0
131.01935	1.1
132.10258	1.3
134.99606	0.8
135.04434	6.2
136.06189	5.7
139.03940	1.3
140.07019	1.6
142.12300	12.0
143.00165	2.0
143.01923	5.4
143.11850	5.5
144.02013	6.0
145.01720	1.2
145.02829	3.0
145.05020	1.6
145.07620	2.4
146.06029	5.6
146.99725	1.4
147.06573	0.8
148.06084	1.1
156.03395	1.5
157.07578	1.1
158.06009	1.3
158.99658	2.3
159.06839	1.6
159.57072	1.2
160.07611	2.9
161.01295	2.0
161.02986	7.0
162.03119	7.8
163.02809	1.2
163.03920	25.4
163.05208	1.7
164.04236	0.9
167.07022	4.5
169.13414	1.1
170.06007	1.4
170.99699	1.8
171.05507	1.3
171.07764	1.8
172.05899	2.4
173.07123	3.7
173.12926	4.8
174.04391	3.2
174.07811	3.8
175.08324	1.0
176.08215	3.3
177.00752	2.2
177.05504	2.0
185.07056	1.5
186.04398	2.7
186.07422	3.0
186.11224	1.3
187.08752	6.1
187.14433	100.0
188.07991	4.7
188.14789	2.0
189.00769	1.8
189.08662	3.0
192.05409	1.2
197.12889	1.5
201.00801	1.6
201.12323	2.2
203.04005	2.3
204.04160	3.4
210.99373	1.1
214.06131	2.9
215.13937	19.4
217.08295	2.4
219.01704	8.0
222.05312	1.2
229.00301	2.1
237.02533	4.5
247.12999	2.7
259.08502	5.1
261.02795	1.3
265.06067	1.1
267.07339	1.0
272.11392	1.9
275.08191	1.8
276.08652	0.9
277.09448	1.1
285.09885	1.3
286.10532	1.8
286.13419	1.4
287.13712	3.7
289.09665	1.2
291.11365	1.3
295.07816	1.5
296.09305	1.4
301.10141	1.0
302.10028	1.5
303.07751	1.5
303.10986	6.5
304.11414	1.5
305.09579	1.3
313.11679	3.6
314.09845	1.0
315.11017	1.1
330.12225	1.7
331.12778	17.7
332.13971	9.8
348.12973	10.2
348.15482	13.1
349.16934	1.1
359.06702	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	348.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02052	0.2
55.05521	1.0
56.05007	0.2
56.96561	0.3
57.03451	0.2
57.58804	0.2
60.04523	0.2
65.03938	0.4
67.05513	1.8
69.03451	0.2
69.07059	0.7
70.06588	0.6
71.05003	0.2
71.59950	0.4
74.06078	1.6
76.62109	0.2
79.05496	1.2
81.03435	0.3
81.07059	2.2
82.43159	0.2
83.04984	0.4
83.08612	0.4
84.04549	0.3
84.08134	0.2
85.02933	0.3
86.06041	0.2
91.05479	2.6
92.05824	0.5
93.07049	1.6
94.04063	0.8
95.08592	1.0
97.06537	0.6
98.09672	0.2
98.97602	0.7
100.11246	0.3
105.07042	0.8
107.08629	0.9
109.05081	0.2
109.10142	0.4
112.05104	0.3
116.98589	0.2
117.07032	0.3
119.03547	2.5
119.04938	0.3
119.08629	0.2
121.10129	0.5
123.11695	0.3
124.07544	0.2
127.04033	0.2
130.06541	0.2
131.08582	0.3
133.10114	0.5
135.11748	0.4
136.06192	100.0
137.04596	1.8
137.06572	0.6
145.10121	0.3
147.04387	0.2
149.13283	0.3
160.07623	0.3
175.04008	0.4
195.13823	0.2
204.46114	0.2
207.06552	0.5
261.03345	0.2
272.11435	0.3
286.16687	1.0
287.13638	0.3
293.51361	0.2
304.17538	0.3
330.19266	7.3
330.29947	0.6
331.12802	0.5
348.20313	44.4
348.30890	1.5
349.20563	1.1
361.46585	0.2
372.91766	0.2
373.08090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	27.4
56.96563	4.0
57.03443	9.3
61.72209	3.8
67.05511	71.3
69.07059	16.7
69.81107	9.4
69.81521	17.7
71.08641	8.8
74.06073	18.0
79.05481	25.2
81.07059	57.0
83.04987	7.3
83.08627	17.2
85.06543	8.1
90.65382	3.7
91.05479	19.0
93.07025	22.5
95.08633	23.8
97.06523	4.0
97.10186	22.3
98.21535	4.3
99.08058	5.4
105.07033	8.0
107.08598	17.7
109.06499	5.4
109.10160	61.5
111.08091	4.0
117.07104	4.5
119.08605	9.9
121.10160	10.3
123.08097	6.4
125.09658	13.4
126.30102	4.5
131.08595	6.6
133.10139	12.8
135.11636	6.0
145.10123	4.7
147.11665	5.8
149.13295	16.0
151.11148	7.7
155.10670	31.6
159.11705	6.6
168.41919	4.8
173.11754	100.0
177.12723	7.6
189.11278	11.9
195.13855	33.9
213.14934	12.2
243.16927	4.8
261.81381	4.2
277.21677	34.7
290.70691	4.2
295.22665	15.1
330.29694	4.5
348.15173	12.0
348.18805	13.6
348.31158	14.2
349.20029	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	348.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.9
56.05045	7.1
56.96572	1.1
57.03446	1.3
57.07065	0.6
58.06607	3.1
67.05512	3.8
69.07075	3.2
70.06604	6.5
70.99281	0.9
71.94852	0.4
72.04536	1.2
73.05299	0.7
74.06087	100.0
77.42354	0.5
79.05500	1.9
80.58657	0.4
81.03433	0.7
81.07061	4.7
82.06597	1.1
83.08624	1.6
84.04534	0.5
84.08170	0.7
85.02932	0.8
86.06067	1.2
88.07643	3.3
91.05486	1.3
93.07045	1.7
94.06553	0.7
95.05004	0.6
95.08615	4.1
96.08133	0.9
97.06514	0.6
97.10151	0.5
98.06050	0.6
98.97601	0.5
104.07111	0.5
105.07019	0.6
107.08610	1.2
108.08150	0.5
109.10178	0.9
110.09683	0.5
119.08611	1.1
121.10127	0.9
131.08575	0.5
133.10156	0.5
136.06207	0.5
144.79163	0.5
145.10165	0.5
159.11679	0.6
172.06055	0.5
255.03453	0.5
264.26950	1.7
268.26340	0.8
276.26868	1.5
282.27972	1.2
287.13806	0.7
294.28030	4.7
312.28995	6.6
330.30042	17.2
348.15073	1.4
348.31113	88.2
349.11368	0.5
349.19754	1.2
349.31485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1187
Annotation	Camptothecin
Peak:m/z	Relative Intensity
53.03933	0.5
54.76198	0.3
55.01868	0.8
55.05508	1.6
56.96556	0.5
57.03433	0.7
65.03940	0.6
67.05515	3.3
69.03419	0.8
69.07092	1.8
69.66205	2.4
71.04987	0.5
71.52209	0.3
74.82577	0.4
79.05495	2.7
81.00969	0.4
81.03417	0.6
81.07069	4.9
83.04983	0.5
83.08630	0.7
85.02922	0.5
88.38950	0.3
91.05484	3.8
93.07046	2.8
95.04976	0.8
95.08637	2.2
97.06538	0.6
97.73391	0.3
98.97596	0.4
105.07059	3.5
107.04943	0.9
107.08609	2.7
109.06523	1.5
109.10146	1.0
111.08086	0.6
117.07021	1.2
117.45800	0.3
119.05013	0.4
119.08624	2.0
121.06487	0.6
121.10168	1.0
123.04434	0.3
123.08060	0.7
123.11751	0.6
129.07025	0.7
130.06552	0.9
131.08571	2.0
133.10150	1.9
135.08072	0.6
135.11752	0.6
137.05989	0.4
141.05499	0.5
143.08527	0.5
144.08121	0.5
145.10141	3.4
146.05998	1.2
147.04407	0.9
147.11710	1.2
148.04755	1.1
149.09674	0.9
151.03925	22.5
151.05002	1.3
154.06520	1.5
156.06856	1.7
157.10130	0.5
159.08113	0.4
159.11705	1.9
159.23288	0.4
161.13237	0.4
163.11124	0.6
167.07123	0.4
168.30515	0.3
169.07626	7.3
169.10149	0.5
170.06027	0.7
170.08391	2.5
171.09213	1.3
171.11652	0.7
173.13297	0.5
174.05467	0.6
176.14238	0.5
177.12782	0.4
180.04462	0.7
185.07161	0.7
191.07358	0.4
197.07124	1.9
199.08606	0.7
204.08200	0.6
205.08957	0.5
206.09706	1.7
206.59856	0.5
207.06816	0.5
216.08078	0.5
217.08902	0.7
218.09679	1.2
220.07521	0.7
224.08264	0.4
232.07597	1.3
233.08484	2.3
234.09113	3.1
235.06383	0.9
235.10028	0.5
236.07127	2.0
239.17987	0.8
243.09177	0.6
244.07658	2.1
245.10840	0.4
246.09174	2.0
247.09863	0.4
249.07956	1.0
250.08707	2.9
251.09476	1.4
257.18954	1.7
259.08633	0.5
260.07214	1.3
261.07874	3.1
261.10162	2.6
262.08572	1.2
262.11047	0.5
263.09467	1.4
264.06619	2.0
264.10141	1.1
266.11804	6.3
271.08801	0.6
272.06998	2.0
273.07779	0.5
273.10281	1.3
274.08487	0.5
275.20062	3.0
276.07184	0.4
276.10214	2.4
277.06964	2.0
277.10126	1.9
278.08035	2.0
278.11246	2.2
279.08911	4.9
288.06387	0.9
288.09164	1.1
289.07343	1.9
289.10120	2.3
290.10559	1.4
291.08911	1.6
292.09680	4.6
293.12833	6.5
294.11267	1.8
299.08197	1.0
300.06528	0.5
304.09653	5.1
305.06430	0.5
305.09625	1.7
305.12756	0.5
306.10184	4.2
315.07852	0.8
316.08438	1.2
320.08377	0.5
320.11923	3.0
321.12372	22.1
331.10825	4.1
331.14926	0.5
332.09277	1.5
333.08698	0.5
334.09558	1.1
349.11865	100.0
349.19443	2.9
349.23779	2.8
350.12170	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	349.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06446	1.2
53.03937	1.5
55.01883	2.5
55.05511	4.1
55.62656	1.1
56.05030	4.2
57.03446	11.3
58.99594	11.8
61.22013	1.2
64.50596	1.0
69.41951	1.2
70.06586	1.6
70.39860	3.3
71.29498	1.1
72.08150	1.5
76.02245	10.1
79.05499	13.7
80.42142	1.0
81.07062	100.0
84.04510	77.6
85.01126	3.4
86.00658	8.6
86.99062	12.0
87.02700	47.4
90.11887	1.2
98.09691	3.9
98.21085	3.3
98.64739	1.2
99.08096	11.2
100.07651	1.6
105.00092	14.3
113.04209	2.6
118.60590	1.1
122.02737	63.6
130.05035	13.2
132.01155	19.4
140.74815	1.2
142.03261	4.0
147.44963	1.2
156.08455	4.3
157.06844	2.4
159.04761	16.8
174.09520	5.1
183.28500	1.2
185.06508	1.1
188.03792	5.3
202.08983	96.4
203.07393	29.6
203.09276	2.3
207.53160	1.1
210.11290	3.6
220.10052	19.1
234.04333	3.2
243.91086	1.2
251.06976	2.7
286.11124	3.9
331.13159	4.3
332.11630	4.4
334.67142	1.2
349.14365	13.7
349.18594	1.5
349.20050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.96559	1.9
59.04985	1.0
60.04500	0.9
67.05508	1.4
69.03429	1.6
70.06581	0.9
81.03394	1.0
81.07076	1.1
84.04496	0.9
84.08130	2.0
85.02912	5.7
85.06552	1.0
86.09692	1.6
91.05524	0.8
93.07026	1.3
95.08589	1.4
97.02900	2.4
97.06534	1.4
98.20741	1.2
98.97603	1.5
99.08099	3.0
107.08575	1.6
109.10156	1.6
110.06066	0.9
113.09624	1.3
114.17287	0.7
116.98505	0.8
118.06542	1.4
127.03923	1.3
127.07539	1.7
128.69322	0.7
129.25021	0.7
130.06554	2.5
132.08086	1.0
135.04382	0.7
139.11191	1.2
144.08069	2.4
146.06044	6.4
151.11160	0.7
156.08105	2.3
157.12253	4.3
158.06015	0.8
160.07561	2.6
161.02881	0.7
162.05539	0.8
163.03941	1.0
167.07109	1.7
168.08119	1.6
170.05997	2.8
173.07199	1.9
174.07962	0.8
183.09172	1.1
184.07596	0.7
185.07138	0.8
187.08559	18.0
187.13298	1.9
188.07060	2.3
229.09810	2.4
258.11310	1.5
315.11124	1.2
331.12906	1.0
332.10419	1.0
332.14233	8.1
349.14682	100.0
350.11420	1.0
350.15091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32982	0.8
53.03941	1.9
55.01857	2.2
55.05511	6.2
56.96571	37.5
57.03440	4.7
57.07079	0.8
60.69083	0.7
65.03943	1.1
67.05509	14.1
69.07069	7.1
69.26434	6.5
71.95271	5.4
72.96027	2.2
79.05499	27.8
81.03436	1.5
81.07061	32.8
83.04984	1.6
83.08600	2.5
84.95985	1.0
86.00644	1.1
91.04956	1.0
91.05487	12.5
93.07056	11.5
95.01344	0.9
95.04961	3.4
95.08614	7.9
97.06551	1.8
97.96831	2.3
98.97567	4.7
99.08039	1.0
99.99650	0.8
103.00691	0.7
103.05469	0.8
105.00158	1.3
105.07040	13.8
107.04951	3.9
107.08602	8.8
109.06530	12.2
109.10172	4.7
110.97577	10.7
112.99208	0.9
115.00710	2.1
116.98640	1.3
117.07011	3.1
119.01677	1.0
119.08576	8.1
120.08173	0.8
121.06484	1.5
121.10158	4.8
123.01192	0.8
123.08047	2.4
125.09631	0.9
128.98611	8.6
129.02263	1.7
129.07016	1.4
131.00142	1.1
131.08560	5.6
133.10135	6.7
135.08058	1.9
135.11685	2.5
137.02744	1.9
139.00662	1.5
141.02213	1.8
143.00125	1.8
143.08612	1.1
145.01726	0.8
145.10117	5.5
146.99657	2.8
147.03296	0.8
147.11668	5.1
149.06064	0.7
149.09674	4.2
149.13263	1.4
151.00676	1.6
151.11224	1.0
153.02229	2.8
155.03769	2.2
156.08426	1.8
157.01747	1.2
157.10121	1.6
159.03261	0.9
159.11696	3.4
160.03937	3.4
161.01244	1.7
161.09595	1.0
161.13246	1.4
163.11208	2.2
167.00269	0.8
167.03783	1.8
169.01738	1.6
169.05392	1.1
171.03329	5.7
171.11707	0.8
173.04893	3.5
173.13190	2.0
175.02751	1.2
175.11244	1.2
179.10652	0.9
179.14246	1.1
181.05409	1.7
183.03308	2.2
183.06944	1.3
184.00458	0.9
185.01160	0.9
185.04916	5.2
187.06447	1.4
189.04311	3.0
191.05850	1.0
195.06967	1.1
197.04796	1.0
197.08421	1.0
199.02689	1.2
199.06439	8.2
201.07971	2.1
202.08664	0.8
203.05954	5.4
205.01688	1.6
205.07468	3.1
207.03351	1.5
209.08487	1.1
211.02815	0.9
213.07956	3.8
215.09514	1.4
217.07541	5.6
219.08971	1.7
223.02829	2.9
223.06456	1.1
223.08485	1.9
225.04340	3.3
225.08067	3.8
227.05859	1.9
227.09587	1.0
229.07498	1.2
231.09055	1.8
235.06273	1.0
237.04402	1.6
237.08040	1.6
239.09583	0.9
241.07599	1.3
241.11035	0.9
243.09102	15.9
247.20599	2.2
251.09503	1.6
253.07359	1.1
253.11102	2.2
255.09077	8.6
257.10660	1.5
257.19183	1.8
261.10181	5.2
262.08841	2.5
266.10678	1.7
268.09766	1.0
269.10608	3.0
273.10083	3.1
275.20087	13.2
279.09009	5.2
280.09860	5.3
281.10693	1.8
297.10309	2.4
298.10950	1.6
303.11438	1.1
313.14694	2.3
331.15814	77.9
332.16254	1.3
349.16870	100.0
349.23111	8.9
350.17371	2.7
367.17966	26.3
372.18491	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
55.05510	18.1
56.96571	100.0
57.03433	15.2
57.07079	6.0
65.03938	3.3
67.05517	33.7
69.03423	5.2
69.07081	26.2
69.99894	14.5
70.80734	3.3
71.95267	14.2
72.96053	4.8
79.05507	37.5
81.07064	35.6
83.04991	8.7
83.08633	8.2
84.96070	3.7
91.05494	29.9
93.07054	34.2
95.04973	9.9
95.08606	34.5
97.02894	3.8
97.06538	7.6
97.96823	4.9
98.97570	7.9
105.00158	5.8
105.07044	36.2
105.21785	3.4
107.04963	11.4
107.08600	24.2
109.06503	11.5
109.10160	14.9
110.97591	15.1
115.00726	4.1
117.07001	9.6
118.09415	3.1
119.08582	20.9
121.06521	11.2
121.10130	13.6
123.08098	10.7
123.11710	4.1
128.98610	10.4
131.08557	20.7
133.10121	20.5
135.08148	3.5
135.11691	12.0
137.02780	5.0
137.09644	3.5
137.33044	3.7
143.08604	4.0
145.10158	10.9
146.99597	5.7
147.11708	10.8
149.09665	7.6
151.00661	7.2
151.11189	4.1
153.02226	6.0
155.03816	4.5
157.10202	4.9
159.07979	4.4
159.11717	12.5
161.01186	4.3
163.11226	5.5
167.03854	4.6
169.10043	4.0
171.03311	11.3
171.11829	3.9
173.13252	6.9
175.11278	4.3
179.03775	4.2
179.14282	4.3
183.03412	4.9
185.04921	11.9
187.11288	4.9
189.04457	6.2
193.05415	4.2
198.34576	3.5
199.06439	21.6
201.12840	3.7
203.05952	7.5
207.13811	6.5
211.06369	7.2
213.08040	11.7
215.05804	3.5
217.07480	10.6
219.13792	4.3
225.08000	12.1
227.09555	7.9
229.07526	9.6
231.06841	5.8
231.09050	11.5
237.04420	4.5
237.07974	8.3
239.09636	12.7
241.11139	3.8
243.09084	5.5
249.08064	3.7
251.09576	14.4
255.09129	51.6
257.19070	13.6
267.09039	48.1
269.10635	65.5
273.10150	19.9
275.20068	76.0
279.09067	3.7
285.10132	60.8
287.11655	16.9
291.12796	8.0
292.12125	7.9
293.21014	3.5
303.11359	5.4
309.13654	7.6
331.15771	42.9
342.26831	4.2
349.16800	95.0
349.23404	31.4
349.27563	8.6
367.17975	40.8
372.18692	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54057	2.7
53.03943	3.2
55.01864	8.2
55.05518	25.3
56.96570	67.8
57.03443	16.0
65.03941	3.5
67.05507	40.8
69.07079	31.9
71.05003	3.6
71.59768	3.4
71.95265	11.0
79.05501	38.2
81.03434	2.7
81.07063	53.0
83.04987	10.5
83.08615	7.5
84.96072	2.6
85.06520	5.9
90.48204	2.7
91.05496	44.2
93.07056	44.6
95.04966	13.1
95.08609	35.2
97.06532	8.7
98.97620	5.0
105.00158	4.5
105.07037	38.5
105.51083	2.9
107.04328	2.8
107.04945	15.7
107.08624	25.4
109.06518	13.2
109.10152	12.4
110.97586	14.5
111.08081	4.2
117.07045	10.9
119.08585	19.6
121.06520	19.7
121.10199	15.6
123.08071	9.0
127.00660	4.7
128.98621	10.1
129.07002	4.3
131.08604	25.3
133.10118	23.3
135.08095	6.1
135.11719	11.3
141.02280	3.2
143.08604	3.4
145.10146	25.9
146.99649	3.6
147.11711	15.2
149.09644	7.7
151.00694	4.1
151.11162	6.4
153.02209	7.1
156.29999	3.1
157.01723	3.3
157.10139	7.2
159.08005	3.7
159.11697	11.9
161.09639	3.5
161.13290	6.1
163.11229	10.6
171.03282	9.5
171.11681	3.9
173.09492	3.3
173.13292	9.1
179.14322	3.7
181.05348	4.4
183.03156	4.2
185.04893	13.3
187.14835	5.5
189.04312	6.5
197.13231	4.4
199.06429	13.5
201.12796	3.6
203.05972	8.6
205.07506	3.5
207.13953	3.9
211.06424	6.4
213.07968	12.6
215.14343	3.8
217.07515	15.2
219.13910	5.6
225.07983	7.8
227.09610	7.9
229.07520	10.5
229.19505	4.7
231.09109	10.7
237.04277	3.5
237.08128	7.9
239.09576	8.3
239.17935	6.5
241.11134	4.1
243.09013	6.8
245.10680	4.2
247.20662	5.6
249.07938	8.5
251.09586	11.7
253.11227	3.8
255.09038	35.6
257.18970	20.0
267.09097	39.0
269.10632	47.4
273.10193	9.5
275.20074	100.0
277.11566	3.4
280.09750	3.2
285.10159	42.3
287.11832	11.2
291.12552	5.0
292.12222	4.0
293.20978	8.7
303.11105	3.7
308.11768	4.3
309.13876	6.2
317.17911	4.2
331.15836	27.1
349.16843	63.2
349.23770	37.5
349.27466	11.3
367.17957	29.0
372.18521	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05511	2.9
57.03424	1.9
58.01627	0.6
67.05509	5.8
69.07073	3.9
70.71759	1.1
71.32661	0.6
79.05495	5.5
81.03438	0.9
81.06642	0.6
81.07062	8.5
83.08595	1.4
91.05489	6.9
93.07048	4.8
95.04967	1.5
95.08626	4.2
97.06543	1.6
105.07025	6.0
107.04903	0.7
107.08595	4.8
109.06528	1.3
109.10159	1.7
117.07036	3.2
119.08592	4.7
121.06519	0.7
121.10130	2.3
123.08097	0.8
129.07021	1.3
131.08557	3.1
133.10124	4.9
135.11705	1.5
137.09627	0.7
140.35522	0.6
143.08553	0.9
145.10175	4.6
147.11716	2.6
149.09636	1.7
151.11229	1.2
157.10139	1.1
159.11728	2.4
161.09686	0.8
161.13260	0.8
163.11194	1.1
169.10109	0.6
171.11609	0.7
173.13295	1.9
177.12721	0.6
178.15933	1.2
183.11754	0.7
185.13231	0.6
197.13185	0.7
236.16411	1.1
239.17989	1.0
257.19009	3.2
261.14789	0.6
275.19998	6.6
280.12830	6.3
321.51053	0.6
349.19897	100.0
349.23755	9.3
350.20224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30663	0.5
55.01871	0.9
55.05508	2.6
57.03440	1.4
65.03934	0.5
67.05513	4.0
69.07070	2.9
69.51129	0.7
70.20962	2.1
71.04980	0.5
75.88116	0.5
79.05498	5.7
79.77983	0.5
81.03388	0.5
81.07056	5.6
83.08601	1.3
88.81212	0.5
91.05486	4.8
93.07056	4.6
95.04984	0.8
95.08615	3.9
97.06548	1.2
101.97366	0.6
105.07021	5.5
107.08568	4.8
108.08163	0.8
109.06490	1.1
109.10157	1.7
115.27168	0.5
116.06210	0.6
117.07008	1.6
119.08584	3.6
121.10150	1.3
123.08073	0.7
131.08586	2.2
133.10167	3.3
135.11716	0.6
143.08533	1.0
145.10127	3.0
147.11722	2.2
147.74608	0.5
149.09676	1.1
157.10147	1.0
159.11745	2.4
161.13263	0.8
163.11252	1.0
171.11717	0.7
178.15923	1.5
189.11377	0.6
236.16504	1.9
239.17944	1.1
246.52539	0.6
257.19116	2.5
275.20038	5.2
288.23022	1.0
292.09335	0.7
306.24280	2.2
317.37045	0.6
332.25879	2.3
349.19876	100.0
349.23386	4.6
350.20135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05508	2.7
56.96565	0.8
57.03430	2.5
60.78869	0.5
61.58634	0.7
67.05503	4.6
68.59318	0.6
68.99850	0.6
69.07063	2.5
71.10613	1.3
76.10879	0.6
79.05504	6.3
81.07056	5.8
83.08630	1.2
83.88689	0.6
85.06527	0.9
91.05472	4.8
93.07051	6.4
95.05013	1.3
95.08598	3.9
97.06529	1.6
98.97538	0.8
105.07030	5.3
107.04920	0.9
107.08590	3.9
109.06496	1.4
109.10156	1.0
117.07029	2.0
119.08569	3.7
121.10143	1.9
123.08109	0.8
131.08592	1.6
133.09166	0.7
133.10139	2.8
135.11722	1.6
137.05705	4.1
142.52911	0.6
143.08549	0.9
145.10117	3.1
147.04375	0.6
147.11690	2.4
149.09641	1.0
149.13237	0.9
159.11714	2.0
171.11646	0.7
173.13272	0.8
179.14185	0.6
185.13307	0.9
201.12665	0.6
221.11497	1.3
235.13081	2.2
239.17873	0.8
257.19022	2.3
275.20032	4.3
331.18665	0.7
349.19870	100.0
349.23541	5.7
349.31454	1.9
350.20020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91288	1.1
55.05497	2.7
57.07043	1.4
62.43164	1.2
67.05505	8.7
69.07057	4.5
69.38107	7.7
69.38532	2.4
71.04984	1.3
71.59270	1.1
74.25365	1.1
74.41976	1.0
76.05965	1.1
79.05486	6.5
81.07050	10.4
83.08604	2.0
85.06517	1.3
86.84832	1.2
91.05466	7.1
93.07059	5.6
95.04987	2.2
95.08613	6.1
105.07047	4.2
107.08607	8.3
109.06521	4.7
109.10184	2.9
111.08102	1.1
117.07029	1.6
119.08585	4.7
121.10126	2.6
123.05865	1.3
123.08099	7.9
123.11695	1.6
131.08560	2.8
133.10146	3.5
135.08081	1.7
135.11711	1.7
145.10115	2.7
147.11720	2.0
149.09657	1.9
149.13237	1.9
155.08643	1.3
159.11629	2.0
167.53177	1.2
171.70177	1.0
179.14308	16.4
179.15770	1.5
201.44832	1.2
275.20120	3.3
293.21091	1.4
331.26187	2.0
333.92673	1.3
349.23544	100.0
349.27448	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17231	0.7
52.79819	0.7
55.01833	0.8
55.05495	2.2
57.03426	1.3
57.07063	1.3
67.05490	4.1
69.07056	2.5
71.60220	1.2
79.05506	5.0
81.07068	5.0
83.08604	1.2
85.74246	0.8
91.05482	3.4
93.07050	4.1
95.04971	1.2
95.08621	5.5
97.06541	1.9
97.10178	1.2
105.07024	2.6
107.08602	3.1
109.06535	1.7
109.10127	2.4
111.08016	1.1
116.27073	0.8
119.08599	3.1
121.10152	2.5
123.08073	5.7
131.08557	0.9
133.10153	2.0
134.23901	0.9
135.11694	1.2
145.10107	1.4
147.11740	1.9
147.34869	0.9
159.11684	0.8
179.14317	4.8
223.07248	0.8
275.20004	2.0
349.23532	100.0
349.27362	8.0
350.23917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01867	13.5
55.05518	35.3
56.96555	14.6
57.03218	3.5
57.03445	40.7
60.33374	3.0
65.03920	3.4
67.05508	62.6
69.03412	5.0
69.07073	29.4
69.77239	15.2
69.93365	3.4
71.04979	9.0
71.08632	7.4
79.05499	74.0
81.03382	4.0
81.06582	4.1
81.07059	83.4
83.05001	7.8
83.08599	12.3
85.02932	3.6
85.06538	6.8
91.05484	78.9
93.07050	65.5
95.04976	11.0
95.08607	41.4
97.06535	10.4
97.10152	8.9
99.08089	4.2
103.05495	4.9
105.06374	6.3
105.07040	92.9
106.07327	4.0
107.04951	13.9
107.08601	58.7
109.06496	16.4
109.10168	15.2
111.08064	6.1
115.05396	4.7
117.07011	30.3
119.08582	58.7
121.06498	9.7
121.10154	21.2
123.08101	6.0
123.11677	5.0
128.06227	4.0
129.06993	16.3
130.07729	3.6
131.08575	45.7
133.10132	49.2
135.08051	10.6
135.11688	12.1
137.09637	6.4
141.07053	3.4
143.08540	15.4
145.06485	3.3
145.10127	54.3
147.07968	4.4
147.11674	34.2
149.09607	12.7
149.13214	7.4
151.11177	4.6
155.08446	3.2
157.10149	11.6
159.11707	43.9
161.13232	13.5
163.11200	12.4
165.54576	4.1
169.10126	6.4
171.11687	8.0
173.13245	21.4
175.11171	3.7
177.12791	5.1
183.11609	5.0
185.13246	17.2
197.13332	5.1
199.06464	5.5
203.14339	8.3
215.17989	6.9
219.17456	11.8
229.19482	10.4
239.17981	17.4
241.07521	5.1
247.20671	8.2
257.19058	45.2
259.08319	3.8
275.20111	81.6
293.21051	4.5
331.22427	4.6
349.10614	4.0
349.16614	14.2
349.19827	46.9
349.23752	100.0
350.17145	6.5
350.23871	4.3
367.17960	16.5
368.18161	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52567	1.1
51.66814	0.9
53.03938	2.9
55.01859	4.2
55.05296	1.2
55.05513	14.2
56.56654	1.1
56.96330	1.1
56.96569	18.1
57.03436	13.9
57.07069	2.8
65.03932	1.8
67.05505	30.8
69.03426	3.0
69.06718	1.1
69.07069	18.7
69.07883	1.0
69.91856	2.8
69.92257	1.8
71.95258	3.0
72.96030	1.9
79.05495	27.4
81.03442	1.9
81.07059	35.5
83.04987	7.4
83.08633	5.8
85.06550	1.2
85.44630	0.9
91.04958	1.6
91.05484	24.9
93.07048	34.4
95.04970	11.2
95.08608	23.5
97.06526	4.9
97.10165	1.4
98.97581	2.0
105.07032	28.5
107.04971	10.6
107.08594	20.8
109.06518	13.9
109.10169	9.7
110.97546	2.5
111.08067	1.4
115.05455	1.4
117.07030	10.2
119.08578	15.2
121.06519	15.2
121.10151	10.3
123.08043	6.8
123.11710	2.1
125.09624	1.1
128.98595	1.1
129.06999	2.7
131.08575	19.3
133.06473	3.1
133.10139	17.8
134.80180	1.1
135.08073	6.4
135.11722	7.1
137.09599	2.1
139.00685	1.2
143.08549	3.6
145.06497	2.3
145.10121	13.8
147.08020	4.1
147.11687	12.8
149.09628	7.1
149.13246	5.1
151.11180	6.0
155.08542	3.2
157.10091	3.5
159.08064	2.7
159.11685	9.2
161.09601	4.9
161.13210	2.5
163.11165	8.1
167.03584	1.2
169.10132	2.0
171.11678	3.0
173.04941	1.2
173.09537	3.5
173.13263	5.7
175.11176	3.6
177.12743	2.8
181.05286	1.4
183.11696	2.3
185.04884	1.4
187.11192	2.9
187.14798	2.5
189.12759	1.7
191.14326	4.6
195.06950	1.3
197.13167	1.7
199.06406	6.0
199.14880	1.3
201.08105	1.9
201.12758	3.9
207.13742	3.2
211.06471	3.2
211.14760	1.2
213.07985	13.6
213.16336	1.4
215.14189	1.4
215.17923	2.9
217.07434	2.3
219.13805	4.0
225.07755	1.7
229.05446	1.8
229.07513	21.2
229.19484	3.3
231.09050	9.4
239.17982	3.9
243.08914	6.6
247.08569	8.5
247.20586	5.0
252.09215	1.2
255.09079	1.3
257.18997	15.5
261.10098	1.9
275.20068	100.0
276.20401	1.6
285.10306	1.3
293.21124	7.5
331.15863	5.6
349.16885	22.9
349.23672	31.3
367.18045	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.0
53.03936	4.0
55.01876	6.4
55.05508	13.9
56.15453	1.1
56.96571	2.5
57.03224	1.0
57.03436	13.2
57.07078	2.4
65.03938	2.8
67.05163	1.8
67.05508	32.5
69.03399	1.6
69.07067	13.4
69.90121	2.2
69.90516	2.8
70.09442	1.0
70.84145	1.1
71.04980	2.7
79.05050	2.4
79.05492	40.4
81.03420	3.1
81.07058	100.0
82.07371	1.1
83.04981	3.2
83.08632	7.8
85.02896	1.6
85.06525	2.2
91.04951	1.9
91.05482	28.3
93.07045	27.7
95.04955	6.2
95.08604	21.4
97.02895	1.1
97.06533	11.9
97.10181	3.5
99.08112	1.5
105.07036	25.8
106.07238	1.2
107.04958	7.3
107.08587	17.3
109.05769	2.1
109.06520	37.5
109.10165	8.8
111.08071	3.3
113.09583	1.2
117.06245	1.5
117.06989	7.9
119.07773	1.7
119.08584	24.8
121.06496	3.4
121.10143	12.8
123.08073	5.0
123.11729	2.8
125.09612	3.5
129.06958	1.5
131.08582	13.8
133.03511	1.0
133.06494	1.2
133.09213	1.6
133.10136	18.6
135.08017	2.9
135.11702	7.5
137.09639	2.5
141.07051	1.1
142.86174	1.1
143.08578	3.0
145.10120	13.4
147.08058	1.9
147.11705	15.1
149.09639	5.9
149.13245	5.9
151.11172	2.7
157.10123	3.4
159.11696	8.9
161.09558	1.4
161.13243	3.3
163.11201	3.0
163.14778	3.0
165.12802	1.9
169.10048	2.0
171.11723	1.8
173.13249	5.2
175.11279	2.1
175.14815	2.2
179.14249	2.1
187.14807	2.3
193.12253	2.6
213.16380	1.3
219.17403	7.3
229.19534	3.8
239.17894	1.9
240.91962	1.3
247.20621	4.7
257.19055	4.3
275.20062	41.1
290.21161	2.8
293.21286	1.2
301.20099	1.2
309.22269	1.2
349.19775	16.5
349.23746	21.4
349.27182	1.5
349.33731	1.8
350.23245	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	18.1
55.01874	24.0
55.05288	4.4
55.05513	48.4
55.52325	3.3
57.03439	21.1
65.03944	7.2
67.05508	83.7
69.03429	5.9
69.06708	4.7
69.07072	63.2
69.85924	17.9
71.04994	5.3
77.03929	4.8
79.05501	100.0
81.03427	28.1
81.07062	98.7
83.04993	23.0
83.08630	17.0
85.06535	5.3
91.05486	76.7
93.07053	88.0
95.01328	21.5
95.04980	17.1
95.08607	64.9
97.06533	35.4
97.10205	8.0
98.20805	5.9
99.08123	3.2
103.05474	3.7
105.07034	96.6
105.77349	3.4
106.37124	3.7
107.04974	50.2
107.08599	49.9
109.06498	12.0
109.10172	21.7
111.08054	6.9
114.22307	3.5
117.07032	30.9
117.39136	3.2
119.08590	53.6
121.06506	7.7
121.10176	25.9
123.04437	3.3
123.08069	11.8
123.11697	4.7
125.09628	11.1
130.07764	3.8
131.08565	39.8
133.10129	61.3
135.08080	11.5
135.11737	20.2
137.09645	4.0
143.08546	7.4
145.06458	5.4
145.10139	27.9
147.11662	31.1
149.09607	29.3
149.13269	9.6
151.11214	4.9
157.10040	4.1
159.11690	24.9
161.13263	10.1
163.11107	5.9
169.10202	4.8
171.11697	7.2
173.13261	8.8
175.11180	3.8
177.12730	11.9
179.14268	24.5
183.11688	5.7
187.11171	10.7
229.19598	4.6
229.82455	3.9
247.20488	4.6
257.18958	16.5
275.20065	85.7
339.94934	3.8
349.23837	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
55.05519	31.5
55.98407	3.4
57.03438	10.6
57.07085	8.2
65.03938	3.7
67.05511	48.4
69.03428	4.7
69.07072	47.9
69.38165	31.3
71.05003	7.3
71.08630	6.5
72.46046	3.3
75.34364	3.5
79.05495	57.2
81.03426	4.5
81.07054	64.9
83.04986	8.3
83.08607	14.7
85.06553	3.5
91.05488	57.4
93.07049	73.3
95.04987	27.4
95.08612	58.5
97.06512	18.6
99.11362	3.6
105.04491	3.7
105.07037	100.0
107.04966	5.6
107.08601	69.8
109.06532	34.3
109.10158	50.2
111.08086	6.9
115.05468	7.0
117.07034	18.0
119.06176	3.7
119.08592	85.0
121.06544	6.9
121.10145	83.5
123.08080	55.2
123.11752	9.2
125.09593	5.0
127.62012	4.0
128.06226	10.1
129.07025	11.2
130.07782	9.3
131.08574	44.6
133.10144	60.0
135.08087	15.5
135.11703	18.9
137.09631	4.7
141.07042	4.0
142.07797	15.3
143.08594	29.5
144.09323	4.8
145.10133	65.3
147.08009	6.3
147.11751	18.8
149.09618	11.3
149.13240	5.9
153.07008	6.5
155.08575	14.5
156.09357	10.4
157.10146	31.7
158.10918	5.3
159.11719	29.9
161.09622	19.1
161.13245	10.6
163.11182	6.2
167.08632	7.1
168.09328	4.8
169.10152	15.6
170.10898	7.4
171.11751	22.1
173.13272	16.3
175.11252	5.9
175.14870	10.1
179.08536	8.2
179.14320	66.6
181.10158	10.9
183.11688	21.6
185.13295	12.3
187.14830	20.9
194.10889	6.7
195.11769	11.5
196.12462	4.1
197.13255	16.4
199.14841	8.6
209.13275	16.5
211.14841	9.9
223.14893	9.6
225.16417	4.4
227.14240	8.0
237.16321	6.6
239.17897	10.2
249.16508	4.6
253.19502	5.7
257.19052	5.8
265.19476	4.9
275.20044	13.4
293.21194	10.5
331.26602	7.6
349.20523	7.5
349.27945	87.1
361.37918	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.9
53.76241	4.0
55.01865	3.8
55.05518	23.3
57.03430	9.0
57.07079	7.5
61.22826	4.0
67.05511	49.1
69.07076	28.3
71.04992	5.3
71.60027	3.2
72.96095	3.4
79.05494	38.1
81.07066	70.1
83.08626	9.4
85.06545	4.2
91.05484	62.4
93.07049	70.8
95.04988	23.1
95.08609	63.5
95.09214	4.3
97.06544	13.5
97.10154	4.6
103.05482	6.3
105.07035	100.0
107.08604	60.7
109.06525	17.7
109.10177	46.5
111.08079	4.2
112.31113	3.5
115.05425	6.2
117.06982	19.6
119.08586	86.3
121.06525	6.1
121.10152	77.2
123.08084	21.8
123.11705	15.2
125.09669	5.6
128.06227	6.0
129.06995	15.6
130.07796	6.5
131.08575	56.6
133.10143	54.2
135.08066	13.1
135.11710	20.9
137.09618	4.4
142.07779	16.7
143.08559	34.8
144.09357	7.5
145.10135	55.8
145.11234	4.8
147.08060	10.3
147.11697	24.3
149.09601	12.9
149.13260	5.1
153.11449	3.6
155.08554	11.9
156.09360	14.9
157.10150	42.5
158.10968	3.7
159.11687	25.4
161.09660	20.7
161.13255	16.2
163.11139	4.5
165.07138	4.1
165.12952	4.8
167.08539	13.6
169.10159	23.5
170.10934	7.6
171.11685	26.5
172.12433	4.7
173.09604	8.8
173.13277	21.2
175.11171	4.8
175.14818	12.3
177.01546	3.8
179.08583	8.8
179.14351	24.4
181.10104	13.5
182.10915	6.1
183.11710	21.0
183.13148	4.3
185.13254	19.6
187.14789	15.7
193.10097	8.7
194.11008	6.5
195.11662	14.9
196.12495	3.9
197.13274	12.4
199.14758	13.9
201.12694	4.6
201.16490	4.8
206.10938	4.1
207.11746	5.6
209.13266	18.9
211.14833	15.1
213.16386	10.1
223.14850	8.2
227.14308	14.8
235.14822	4.7
237.16284	4.2
239.18097	7.0
253.19455	5.2
275.20172	9.1
282.43201	4.0
293.18887	7.1
349.24554	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.30747	0.4
53.03944	0.6
55.05519	2.2
57.06822	0.4
57.07079	5.1
67.05510	3.7
69.03413	0.5
69.06779	0.4
69.07075	3.8
70.84645	1.0
71.08623	2.4
75.19700	0.4
79.05486	3.4
79.67730	0.4
81.07066	7.0
83.04975	0.7
83.08628	0.9
85.06537	2.5
90.82337	0.4
91.05482	2.5
93.07049	4.0
95.04960	1.2
95.08614	6.9
97.06532	0.8
99.08080	1.9
105.07034	3.7
107.08598	3.5
109.06527	18.2
109.10153	2.7
111.08091	0.9
114.65065	0.3
117.07007	0.8
119.08580	3.6
121.10150	3.1
122.07307	1.9
123.08073	26.8
123.11685	1.0
124.12666	0.4
129.06996	0.6
131.08568	2.0
132.59564	0.4
133.10170	1.9
135.08067	3.8
135.11685	1.5
136.08713	0.3
137.09607	0.5
137.13237	0.5
137.24481	0.4
143.08607	0.9
145.10104	1.4
147.11679	1.4
149.09660	0.5
149.13271	0.5
155.08629	0.4
157.10120	1.1
159.11665	1.7
161.09517	0.4
161.13249	0.9
163.11206	0.5
165.12729	0.9
171.11743	0.8
173.13229	0.4
175.14906	0.6
177.16440	0.5
179.14319	100.0
180.14690	1.0
181.10074	0.5
183.11662	0.7
185.13356	0.4
193.15889	3.0
195.11707	0.6
222.20726	0.5
227.14571	0.4
233.19087	0.4
289.25403	0.6
293.21201	0.8
306.29196	0.5
328.93616	0.4
331.26340	3.3
349.27420	80.2
350.27817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.25398	0.5
55.05517	5.3
57.07068	1.5
65.03932	0.7
67.05515	5.9
68.40337	0.5
69.07071	8.8
69.99031	2.6
71.04986	0.9
71.08649	0.6
79.05495	4.1
81.06640	0.7
81.07062	7.9
83.04974	1.2
83.08611	3.6
91.05470	2.4
93.07049	4.2
95.04974	0.7
95.08620	7.1
97.06537	2.1
97.10172	1.0
104.91022	0.6
105.07024	2.2
107.08601	4.8
108.57861	0.7
109.06524	11.2
109.10148	3.3
111.08093	1.6
119.08575	3.3
121.06528	0.7
121.10158	3.6
122.07256	0.8
123.08077	68.0
123.11697	2.5
125.09626	0.6
131.08595	0.8
133.10135	2.5
135.08064	5.1
135.11714	2.1
137.09642	3.4
145.10104	1.1
147.11665	1.8
149.09610	1.2
149.13199	1.2
159.11723	1.0
161.13292	1.3
163.11157	0.8
165.12814	0.7
179.14319	18.5
190.18117	0.6
250.30493	0.5
275.20120	1.7
279.19659	0.7
282.96826	0.6
289.25174	0.7
293.21118	15.9
307.22562	0.8
331.26443	3.4
349.27393	100.0
350.27493	1.4
357.18921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.36580	0.6
50.69425	0.6
55.01875	0.7
55.05522	5.3
57.03428	1.2
57.03864	0.5
57.07071	2.0
67.05512	5.9
69.03444	0.8
69.07075	11.7
71.04986	1.7
79.05502	6.0
81.07069	11.1
83.04975	1.2
83.08620	3.7
83.61013	0.6
85.06518	0.8
91.05470	2.4
93.07049	5.6
95.08613	7.9
97.06525	2.2
97.10150	1.4
98.21519	1.3
105.07037	3.5
107.08611	6.2
109.06532	11.1
109.10164	3.9
111.08078	1.5
117.07037	0.7
119.08610	4.2
121.10149	3.8
122.07249	1.1
123.08082	67.3
123.11723	1.5
131.08595	1.4
133.10123	3.2
135.08067	4.8
135.11694	1.9
136.08875	1.0
137.09615	3.9
137.13347	0.7
145.10126	1.8
147.11661	2.1
149.09616	2.0
149.13301	2.0
159.11725	2.1
161.13303	1.2
163.11197	0.9
165.12755	1.0
167.14394	0.8
175.14885	0.6
177.12769	0.9
179.14334	8.1
183.32072	0.6
233.19075	1.2
242.81285	0.6
275.20062	1.2
289.25543	1.1
293.21124	15.8
307.22681	1.3
331.26450	4.4
349.27414	100.0
350.27768	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	350.1348
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03934	0.7
55.01878	1.3
57.03183	0.2
57.03438	2.6
58.69213	0.2
59.04992	0.4
60.04525	1.1
61.02929	2.0
65.03024	0.2
65.16534	0.2
67.05498	0.3
69.03432	7.8
69.77506	0.3
69.77917	0.6
71.01371	1.0
71.04998	2.4
73.02926	0.8
74.06093	0.2
79.05492	0.5
81.03412	1.2
81.07037	0.3
83.58649	0.2
85.02907	0.2
87.04443	0.3
91.05473	1.4
93.07040	0.8
97.02888	0.4
98.20791	0.2
99.04459	2.3
105.07064	0.3
107.08571	0.3
115.71252	0.2
116.04984	0.5
117.05537	0.7
118.06554	3.6
118.58025	0.2
120.08119	0.5
127.03825	0.2
130.06519	0.3
131.01988	0.2
131.06027	0.2
132.06856	0.5
132.08073	0.9
135.11691	0.4
145.07614	15.5
146.08405	0.8
147.09177	20.8
148.09512	0.2
157.07600	1.0
158.08409	0.3
158.09671	0.2
159.09183	9.0
160.09990	1.8
161.10710	0.6
170.08322	0.2
171.09180	0.5
173.07088	2.6
173.10741	1.2
175.08696	1.4
178.50084	0.2
182.08366	0.3
183.09242	0.3
184.10005	0.9
185.10738	3.9
186.11488	0.8
187.08711	1.1
187.12357	1.2
189.10201	1.0
191.08160	100.0
192.08568	1.1
197.10735	1.7
199.08670	1.3
199.12337	1.2
201.10243	0.7
203.08113	0.2
211.08653	0.3
213.10207	1.6
215.08357	0.2
215.11801	1.3
216.07697	9.6
219.11343	0.3
225.10268	1.2
227.08157	0.2
227.11736	0.3
229.09901	0.3
231.11330	0.5
233.09230	0.5
233.12819	0.3
243.11357	0.5
245.09282	0.7
245.12868	0.5
253.09830	0.2
263.13934	7.5
264.14276	0.2
271.10852	0.7
289.11841	3.6
296.25842	0.2
307.12891	53.3
308.13202	0.8
332.27939	0.3
350.13480	46.3
350.28635	0.8
351.13947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44427	1.9
53.03947	3.0
55.01865	6.1
57.03439	5.2
57.07068	2.9
59.32660	2.1
60.04530	4.4
61.02927	6.9
68.99771	2.4
69.03433	44.1
69.07076	2.8
70.16071	8.1
71.04980	2.5
71.75153	1.9
73.02922	5.1
81.03423	21.6
85.02909	100.0
86.09718	2.0
87.00835	35.6
96.19396	2.0
97.02897	22.7
99.04451	9.5
102.09186	54.0
105.01875	30.5
109.02882	24.0
127.03915	52.3
145.04956	18.0
159.02922	7.3
168.81152	2.3
189.03957	5.0
231.05124	11.7
344.47934	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39134	3.2
53.03933	3.9
55.05503	7.6
57.03426	5.3
59.05007	4.1
61.96548	3.2
64.92968	3.9
67.05504	10.1
69.03423	12.4
69.03768	3.3
69.07074	21.7
70.18076	8.0
70.18465	6.3
71.04975	5.1
79.05499	14.5
81.03401	10.8
81.07063	19.5
81.07464	4.1
83.04976	5.6
85.02918	35.2
85.06546	5.7
91.05500	21.5
91.38649	3.2
93.07050	100.0
95.08630	20.2
97.02878	9.7
97.06541	13.5
99.31430	4.0
105.07023	9.0
107.08607	62.5
109.02914	5.0
109.06533	4.0
109.10150	13.0
119.08585	9.9
127.03946	5.1
133.10153	4.3
135.11705	78.7
137.13240	9.0
144.25748	3.8
145.04976	6.9
153.12744	33.2
157.91719	3.8
207.06587	7.7
332.10559	6.9
333.13272	3.8
350.23404	5.4
351.11063	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	350.269
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.03929	4.0
55.01857	2.7
55.05293	2.4
55.05513	23.6
56.05020	7.0
57.07069	6.0
58.02964	14.7
58.06592	6.7
59.47921	1.7
60.04518	3.9
65.03925	4.2
67.05510	48.3
68.05009	2.5
69.07069	32.3
69.92838	9.3
70.06597	27.2
71.08633	16.4
72.04527	1.7
72.08148	5.7
79.05502	47.2
80.05003	6.4
81.03426	2.7
81.05756	3.0
81.07060	47.3
82.06591	20.1
83.04982	2.2
83.08626	11.3
84.04502	8.5
84.08149	41.6
86.06055	4.0
86.09751	2.6
88.11275	51.5
88.34480	1.8
91.05486	37.2
93.07050	34.1
94.06573	49.4
95.04965	7.8
95.07337	5.8
95.08616	37.3
96.04486	2.8
96.08138	15.6
97.06521	6.6
97.10169	8.2
100.07612	2.3
105.07027	25.0
106.06558	6.6
107.07397	2.7
107.08594	29.7
108.08118	7.3
109.06514	5.2
109.08949	2.6
109.10162	15.1
110.06074	3.0
110.09668	7.1
111.08073	2.5
112.07609	8.0
112.11248	5.4
114.09154	3.6
117.06999	8.2
119.08584	18.7
120.08122	2.6
121.06458	2.9
121.10146	11.4
122.09613	4.4
123.08031	3.8
123.11700	7.5
124.07614	4.2
124.11230	24.6
129.07048	3.3
131.08577	9.4
133.10155	10.5
134.09648	4.6
135.10701	2.0
135.11649	10.2
136.11238	7.4
138.09109	2.2
140.10721	2.1
143.08562	4.2
145.10167	5.6
146.09564	2.4
147.11682	7.3
149.13239	3.8
152.10721	10.2
152.14362	2.9
154.12190	2.5
156.13838	3.8
156.90948	2.0
157.10106	2.7
159.11713	3.1
159.14809	1.8
161.13281	6.0
162.12846	3.3
163.11234	2.8
164.14322	10.8
170.15367	4.0
171.11768	2.9
173.13258	2.2
180.13875	7.1
198.18591	2.4
212.16457	37.8
212.20197	1.8
220.17021	7.2
226.18109	2.3
232.16995	3.8
238.18013	3.8
240.16046	3.4
245.22717	2.0
252.19633	33.7
278.21213	2.1
280.19031	4.6
291.23227	3.7
292.22781	17.4
293.25131	2.3
318.24384	2.5
332.25894	14.6
350.26953	100.0
350.33954	43.2
358.71027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.05509	2.8
56.04805	0.6
56.05040	6.4
57.03439	1.6
58.06602	2.9
59.05021	0.5
60.04531	1.6
67.05508	4.9
69.03423	2.4
69.07070	1.6
69.23270	0.4
70.06598	6.5
71.05036	1.6
72.04519	0.8
72.08156	1.2
73.05296	0.7
74.06082	100.0
75.06403	0.5
79.05499	3.2
81.03417	7.6
81.07063	4.7
82.06577	1.2
83.08638	1.6
84.08144	1.3
85.02883	0.7
86.06087	1.4
86.09710	2.2
88.07626	2.9
89.03912	0.5
91.05489	5.6
93.07025	2.8
94.06589	1.0
95.04998	0.8
95.08614	4.0
96.08166	0.8
97.06527	0.7
97.10184	0.6
98.06081	0.7
98.97608	0.6
99.04473	0.5
100.07604	3.0
100.11261	1.3
101.69579	0.5
104.07107	1.0
105.07037	0.9
107.04953	0.6
107.08583	2.1
108.08160	0.7
109.02905	2.3
109.10153	2.0
110.09747	0.7
112.07643	0.6
117.03371	0.7
118.06492	0.5
119.04939	4.3
119.08583	1.4
120.08107	16.8
121.02908	0.7
121.10148	1.6
123.11716	0.7
127.03973	1.0
131.08607	0.7
133.10143	0.9
135.08125	0.6
135.11743	0.8
145.02882	1.5
146.05989	1.1
147.04399	3.9
149.13246	0.6
152.05687	1.5
157.04060	0.7
157.13387	0.5
163.03929	3.4
170.05974	0.5
175.03912	5.4
176.56419	0.5
177.05495	0.8
182.15440	0.6
188.17577	0.8
191.11761	5.4
207.06551	9.3
210.14903	1.0
219.11346	1.4
227.67526	0.8
234.11320	1.1
248.23766	0.6
260.23587	0.6
266.24829	0.9
277.22998	0.5
278.24783	2.1
292.58832	0.5
296.25824	5.0
308.06519	0.6
313.11688	0.5
314.26868	6.8
332.10364	0.8
332.24588	0.7
332.27948	16.4
333.18103	0.6
350.07455	1.3
350.20346	3.2
350.25934	3.0
350.29025	76.0
351.11044	5.9
351.29410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01875	0.6
55.05502	1.3
67.05505	1.3
69.03410	2.4
70.06580	1.2
70.56030	2.4
76.71868	0.7
76.89553	0.7
81.03426	7.3
81.07042	1.9
84.08114	0.7
86.09693	2.7
91.05495	4.4
93.07027	1.1
95.04951	1.7
95.08629	1.8
97.02903	1.2
105.07037	2.0
107.08583	1.2
109.02843	2.5
109.06525	0.8
109.10132	1.2
117.03394	0.7
117.05737	1.1
119.04958	3.8
121.10121	1.2
128.06219	1.1
129.07005	6.8
130.06485	0.9
131.08534	1.0
133.10175	1.5
137.05988	6.2
137.09593	1.0
140.70238	0.7
142.06514	1.0
144.08066	3.3
145.02823	1.8
145.06517	1.5
146.06035	1.9
147.04424	3.9
149.09688	0.8
151.03915	1.2
151.07555	1.7
152.07120	0.9
154.06537	8.2
155.07300	2.5
156.08090	11.4
157.10149	0.9
159.06735	1.7
160.07585	5.3
161.06070	0.9
161.09717	0.8
163.03943	0.9
167.07312	1.0
170.06032	2.8
171.09230	1.4
171.11644	0.9
172.07567	5.2
174.09131	3.9
175.03886	5.3
177.05475	3.4
182.06039	12.4
183.06595	0.8
184.07585	36.7
184.84528	0.8
186.07884	1.2
187.08682	3.7
198.05495	1.9
199.08682	12.6
200.07068	4.0
201.06621	2.6
207.06549	9.9
209.07143	6.5
210.05550	6.0
214.07445	0.8
219.08037	0.8
227.08162	100.0
228.08466	1.4
244.22688	1.1
247.07549	0.9
248.08359	1.2
264.09879	0.7
276.07849	1.3
290.09470	0.9
291.10013	0.9
305.13104	1.1
306.11139	1.9
319.09613	1.6
323.13718	2.8
333.13187	1.7
351.13101	8.1
351.25433	0.9
351.29486	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	351.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35066	0.5
59.00235	0.5
69.95657	2.4
70.71060	0.5
75.71667	0.4
83.10765	0.4
85.01416	0.5
85.02890	0.5
94.06517	0.5
98.97563	1.5
103.05431	0.5
117.04020	0.6
117.05764	0.5
118.06551	7.2
119.01868	0.8
129.03952	0.7
130.06537	9.0
131.01888	0.6
132.08080	1.0
133.01648	0.5
144.08058	1.0
145.07619	2.5
146.06018	38.4
147.01509	0.5
147.05070	2.3
147.06778	3.1
155.01863	0.7
158.06026	13.3
159.06779	1.3
160.07587	13.0
162.09128	0.6
165.06133	0.7
171.05051	0.5
172.07616	2.6
173.06985	1.4
174.07893	1.5
175.08757	1.0
184.07515	0.6
187.08635	1.0
188.09373	1.1
189.06079	2.4
189.10210	2.0
196.07600	0.8
201.06050	2.5
203.07640	0.5
204.08246	0.5
213.06055	0.5
218.09575	1.1
221.05193	0.9
225.06006	0.9
231.06839	7.8
232.07526	1.9
232.11221	1.4
233.03531	0.6
244.09979	0.9
245.08479	1.0
246.09209	9.2
246.11551	0.4
247.08904	0.6
249.13934	0.7
257.07236	2.9
258.07932	1.7
259.08572	2.3
259.12292	4.4
260.10788	1.1
262.11029	3.8
270.08868	1.0
270.11624	1.0
271.08777	1.8
271.12152	0.5
272.09467	12.4
273.10165	2.5
275.08118	7.2
276.08917	2.4
277.10178	0.7
277.13376	4.2
285.10321	0.9
286.10983	1.5
287.11807	49.0
288.09183	0.9
288.12402	1.4
289.09875	2.8
289.12762	0.5
290.10437	3.4
291.09097	6.3
299.11951	2.6
301.09543	0.6
302.10477	1.2
305.12866	100.0
306.13232	2.1
309.10400	0.5
316.14511	0.5
317.12863	5.8
334.15521	64.5
335.15887	1.3
351.11148	1.6
351.18185	24.7
352.18137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01834	0.6
62.19777	0.6
69.59938	3.4
84.95860	0.5
98.21497	0.6
104.33317	0.5
117.05707	0.7
118.06551	6.9
118.08646	1.4
128.92171	0.5
130.06537	8.4
132.08090	1.5
144.08006	0.9
145.07631	1.1
146.06010	36.0
147.06808	2.8
156.04219	1.1
158.06007	16.8
159.06706	1.3
160.07579	11.3
162.09109	0.9
170.05969	0.6
172.07533	1.4
174.07898	1.7
187.08685	1.8
188.09451	1.7
189.10263	1.4
218.09666	1.3
231.06770	8.1
232.07515	2.2
232.11264	0.7
244.09969	1.0
246.09152	9.6
257.07047	3.1
258.07776	1.6
259.08707	2.2
259.12332	4.9
260.10806	1.3
261.10507	0.8
262.11063	4.3
270.07986	1.2
270.11615	1.7
271.08630	1.3
272.09457	14.1
273.10156	2.5
275.08163	5.2
276.08771	1.4
277.09985	1.4
277.13391	4.1
285.10245	0.9
286.11072	0.7
287.11795	51.9
288.08997	0.7
288.12482	1.2
289.09750	1.9
290.10489	4.2
291.11292	1.6
299.11813	1.3
305.12848	100.0
306.13214	1.9
317.12842	1.8
334.15500	51.0
335.15659	0.7
351.06799	1.1
351.10693	1.5
351.18158	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
70.09441	2.5
74.41344	0.6
78.27402	0.6
81.07051	0.8
91.05529	0.6
110.25385	0.6
113.04729	0.6
173.99901	0.6
205.56165	0.7
207.31047	0.7
253.12892	0.7
271.13840	0.8
293.81592	0.6
308.69031	0.7
315.16687	0.5
333.19604	1.4
339.42474	0.6
351.21432	100.0
352.21729	1.4
371.64575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.05508	22.5
57.03427	8.7
57.07063	4.7
64.21243	2.6
67.05508	51.7
69.07069	22.6
71.04997	3.5
71.30698	4.1
73.65612	2.2
79.05494	69.7
81.07062	59.9
83.08625	10.9
84.04609	2.3
85.06519	4.4
85.84157	2.4
91.05483	64.4
93.07049	100.0
95.04984	5.8
95.08607	37.8
97.06509	3.7
98.20898	3.2
99.08095	6.5
99.66611	2.4
104.63087	2.3
105.04543	4.4
105.07030	60.6
107.08598	57.1
109.06539	4.4
109.10175	15.4
111.08128	2.8
113.09666	3.7
117.07040	12.4
119.08585	59.9
121.10155	44.6
123.11729	5.4
125.09592	3.0
129.07025	11.9
131.08572	27.2
133.10144	47.6
135.08075	3.2
135.11697	41.1
135.83623	2.4
137.09567	2.5
138.44318	2.2
143.08572	9.3
145.10107	24.4
147.11688	47.8
149.13266	27.2
157.10141	11.1
159.11681	20.6
160.98761	3.0
161.13257	38.7
163.11166	3.5
163.14853	10.0
171.11708	16.1
173.13300	13.3
175.11255	3.7
175.14867	22.7
179.14256	3.0
185.13271	15.7
187.14870	3.6
199.14824	8.3
213.16345	4.0
217.19551	5.6
231.21097	8.3
241.19528	43.8
259.20593	93.8
261.22052	2.8
277.21643	20.5
333.24225	9.9
351.25342	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97673	1.6
51.51732	2.0
53.03936	4.4
55.01859	2.3
55.05512	16.7
57.03422	5.5
60.54230	1.8
67.05157	3.4
67.05504	42.7
69.07063	12.5
70.83016	3.6
70.83369	2.8
71.04992	2.1
75.04468	2.7
79.05056	3.2
79.05495	57.8
81.07056	51.3
83.08606	7.7
85.06530	4.1
91.05484	49.5
93.07047	83.5
95.04975	4.5
95.08611	38.0
97.06545	2.7
97.10140	2.0
99.08067	5.1
103.16081	1.9
105.04549	2.1
105.06377	3.3
105.07032	49.9
105.07738	2.6
107.08597	56.9
109.06526	2.9
109.10159	13.7
117.07037	10.4
119.07777	3.3
119.08584	51.4
121.09299	3.0
121.10148	39.1
123.11695	4.2
129.06993	7.2
131.08580	19.5
133.10135	43.9
135.11694	47.9
139.11212	2.2
143.08601	10.2
145.10146	20.1
147.11707	45.5
149.09531	2.7
149.13269	25.7
157.10126	6.7
159.11688	20.4
161.09601	1.8
161.13283	31.6
163.11208	4.9
163.14786	9.5
165.12697	2.4
171.11681	11.1
173.13271	10.1
175.14833	17.9
177.12811	3.3
185.13228	11.5
187.14871	3.4
199.14795	6.9
203.14212	2.7
213.16374	4.0
217.19394	2.0
220.89977	2.0
231.17422	2.7
231.21063	6.3
241.19528	27.9
259.20578	100.0
260.20959	2.8
261.22073	1.9
277.21677	15.6
333.24109	4.9
334.42911	1.9
351.18320	4.2
351.25323	53.9
368.63583	2.0
369.19308	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27422	2.0
53.03936	4.0
55.05510	16.9
57.03448	4.9
57.07087	2.4
58.51182	1.8
67.05507	37.9
69.07072	11.1
69.22758	11.7
69.23184	11.6
71.04969	2.6
75.04002	2.2
75.04462	2.1
77.03913	2.7
78.10972	2.0
79.05054	3.5
79.05495	56.7
81.07059	46.7
83.08594	5.5
88.84224	2.3
91.05483	57.9
93.07047	76.9
95.04962	6.1
95.08608	31.2
97.10190	2.3
99.08101	5.0
105.07033	61.6
107.08602	50.5
109.10151	10.2
109.22427	2.0
113.09619	3.5
117.07030	11.6
117.16871	1.9
119.07788	3.1
119.08586	54.9
121.10142	32.6
124.62031	2.0
125.09694	2.6
129.06993	12.6
131.08568	19.4
133.10138	51.8
135.11697	34.2
143.08531	10.3
145.10156	21.5
147.11678	46.7
147.12784	4.2
149.09634	3.0
149.13277	21.2
150.91245	2.1
157.10104	8.0
159.11693	22.2
161.13261	35.0
163.14828	4.8
171.11748	11.8
173.13293	10.2
175.14784	14.5
177.12767	3.1
179.10654	3.6
185.13297	11.2
199.14827	11.7
213.16341	5.8
231.04300	2.3
231.17358	2.7
231.21059	8.5
241.19559	31.6
256.91913	2.1
259.20578	100.0
277.21597	5.9
351.25272	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
55.01867	4.0
55.05511	24.6
57.03426	9.7
57.07064	4.9
57.14608	3.0
64.90785	2.2
65.03938	4.4
67.05164	4.2
67.05508	67.0
69.07078	20.1
70.39295	8.2
71.04996	3.4
71.08636	20.5
73.79063	2.3
77.12674	2.2
79.05061	4.3
79.05501	73.0
81.03398	7.0
81.07063	67.5
83.04995	4.8
83.08628	14.0
85.06515	5.5
91.04958	4.4
91.05489	66.4
93.07048	89.2
95.04971	5.9
95.08612	48.9
97.06509	6.4
97.10164	5.9
99.08088	15.4
103.05441	2.6
105.06368	4.8
105.07040	69.1
105.98832	2.6
107.04916	3.4
107.08602	54.7
109.06470	4.7
109.10173	17.5
111.08073	2.6
113.09630	3.5
117.07043	17.4
119.08583	70.9
121.10146	35.3
123.11693	5.7
125.09603	4.3
129.06990	13.3
131.08545	22.6
132.94023	2.5
133.10135	54.6
135.11697	42.3
137.09639	4.3
137.13313	3.1
143.08565	12.1
145.10118	24.2
147.11690	59.4
149.09657	3.0
149.13260	21.6
151.11148	7.3
157.10065	14.0
159.11696	21.4
161.13264	46.6
163.11151	5.9
163.14793	6.7
171.11705	16.8
173.13283	12.7
175.14841	26.9
177.12769	4.5
179.14316	9.6
185.13281	18.2
187.14856	4.1
192.17981	2.6
199.14786	8.1
213.16467	4.8
217.19443	2.7
230.35718	2.3
231.17375	3.3
231.21097	9.7
241.19568	36.0
242.19913	2.9
259.20596	100.0
275.19763	2.4
277.21622	17.5
323.39499	2.4
333.24210	4.3
351.21457	5.0
351.25308	64.1
352.11282	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34757	3.2
53.03923	9.6
55.01878	6.2
55.05510	37.9
56.96553	4.6
57.03441	55.8
67.05161	5.3
67.05506	75.2
69.07076	25.9
69.91434	20.4
77.03909	4.0
79.05495	84.7
81.07062	83.9
83.05000	5.2
83.08637	30.4
85.06514	11.8
86.55648	3.4
91.05482	68.6
91.57143	3.3
93.07047	98.2
95.04995	6.3
95.08035	6.4
95.08608	74.6
97.06533	6.6
105.07044	56.7
107.08592	67.6
108.35881	3.3
109.06479	6.7
109.10188	26.2
111.08035	7.8
117.07030	19.4
119.08591	54.4
121.09407	5.2
121.10167	54.9
123.11694	11.0
125.09619	4.9
127.91338	3.2
129.06981	10.3
131.08562	33.3
133.10132	46.0
135.11719	39.1
137.09607	4.0
143.08545	7.6
145.10120	18.6
147.11684	42.1
147.31184	4.3
149.13274	31.5
151.11160	6.3
157.10130	7.0
159.11697	27.8
161.13249	35.0
163.11113	4.1
163.14828	9.7
165.12723	3.8
171.11707	11.5
171.14401	3.3
173.13272	11.1
175.14821	12.2
177.12773	5.2
177.16499	3.7
185.13205	14.0
187.14787	12.3
205.15924	4.9
221.15526	4.1
221.19003	6.8
231.21104	9.9
241.19554	24.9
257.07153	4.5
259.20596	76.2
277.21652	31.9
333.24152	10.9
351.18594	8.8
351.25311	100.0
369.19455	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30666	1.3
53.03940	3.9
55.01868	4.1
55.05513	18.9
57.03441	17.1
57.07055	4.0
62.30678	1.2
65.03938	2.0
67.05507	59.3
67.05865	3.0
69.03434	1.5
69.07069	18.9
69.68303	8.3
71.04988	2.7
71.08632	55.8
77.03923	1.7
79.05050	2.7
79.05495	47.4
81.03413	6.4
81.07059	53.6
83.04985	10.5
83.08620	10.7
85.06528	4.1
86.17899	1.3
91.05484	37.2
93.07044	59.2
95.04970	10.5
95.08608	40.3
97.06529	11.4
97.10159	5.1
99.08099	38.1
105.07033	27.2
107.04949	8.0
107.08598	34.0
107.09290	2.9
109.06520	5.1
109.10153	16.6
111.08038	2.5
113.09631	3.2
117.07012	5.0
119.08585	22.2
121.06531	1.7
121.10147	29.8
123.08047	3.9
123.11694	4.5
127.11155	1.6
129.07004	1.5
131.08554	5.1
133.10136	19.4
135.11697	37.5
137.09651	3.5
137.13249	1.5
139.11186	1.9
141.09123	3.4
143.08594	3.3
145.10159	6.4
147.11673	10.3
149.13260	13.2
151.11191	19.3
157.10176	3.7
159.11736	6.2
161.09662	2.0
161.13235	14.2
163.11156	6.3
163.14905	3.2
165.12756	1.2
167.10683	4.1
171.11691	3.1
173.13232	2.5
175.14836	3.3
177.12772	3.0
179.14316	100.0
185.13258	3.7
189.11220	1.4
189.12901	2.7
195.13885	2.1
199.14842	2.3
221.15434	3.2
225.14627	1.4
231.21059	1.7
235.16934	4.3
241.19595	4.2
259.20615	12.1
277.21594	36.7
278.21832	1.7
333.24387	2.2
351.25302	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01870	7.9
55.05512	25.3
56.96565	1.8
57.03440	12.9
57.07064	3.8
58.27119	2.2
59.04992	1.9
67.05163	3.9
67.05508	53.4
68.35134	1.8
68.59319	1.7
69.03426	3.4
69.07073	24.6
71.01676	1.8
71.04990	4.9
71.08636	3.3
71.13868	3.5
75.04453	3.3
77.03951	2.3
79.05499	81.3
80.05842	2.0
81.03421	6.1
81.07061	82.7
83.04988	3.6
83.08612	9.9
85.06542	6.9
86.09654	1.9
91.05482	56.4
93.07050	100.0
95.04983	9.2
95.08614	46.6
97.06497	5.6
97.10137	4.5
99.04454	2.4
99.08083	6.1
105.07038	68.0
107.08602	61.4
109.06535	16.1
109.10164	19.7
111.04453	12.0
111.08081	5.0
113.09645	3.5
117.07012	15.4
119.04964	3.1
119.08588	52.4
121.06549	2.9
121.10156	44.4
123.08056	4.3
123.11716	5.5
125.06002	3.2
125.09602	4.4
129.05475	2.2
129.07013	8.3
131.08591	22.6
133.10136	53.7
135.08086	5.3
135.11700	47.9
137.04987	3.5
137.05986	58.4
138.71382	1.9
143.08546	12.3
145.02914	3.6
145.10120	21.3
145.80663	1.8
146.06035	2.5
147.04399	2.8
147.07979	2.2
147.11707	53.2
149.09584	6.5
149.13280	30.7
151.11195	4.1
155.03702	2.0
155.08640	1.8
157.10144	12.9
159.06738	2.2
159.11694	23.1
161.09641	5.9
161.13272	35.1
163.11197	7.7
163.14841	9.2
169.10086	2.3
171.11707	15.8
173.13318	13.1
175.03940	4.6
175.11226	4.5
175.14827	19.2
177.05450	5.2
177.12747	5.8
183.11743	2.7
185.13254	15.9
187.14810	3.5
189.12738	4.5
189.16451	3.5
193.12257	2.2
193.15950	2.0
199.14827	6.8
203.14374	4.0
203.17920	5.0
207.06540	6.2
207.13803	2.1
213.16429	4.2
217.19606	3.0
220.51059	1.7
227.08058	2.8
231.08165	2.3
231.17513	10.8
231.21114	9.5
232.33623	1.9
241.19536	27.3
249.18533	7.1
259.20584	90.9
259.23352	4.4
277.17987	22.1
277.21567	16.9
292.22626	2.0
305.05569	2.2
305.13016	2.9
306.12912	2.3
319.09604	3.7
333.20419	2.6
333.24170	8.0
351.12399	9.5
351.21259	42.5
351.25299	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49199	1.3
53.03933	4.9
55.01865	2.9
55.05510	17.4
57.03437	8.6
57.07064	4.4
65.03934	2.3
67.05505	47.6
67.63081	1.5
69.06776	1.5
69.07074	17.4
69.38216	11.6
71.04976	3.9
75.04476	2.0
77.03901	1.8
78.85777	1.3
79.05495	66.4
81.07060	56.2
83.04977	2.6
83.08618	7.2
85.06528	3.2
88.14676	1.3
91.05481	52.4
93.07048	86.5
95.04983	6.2
95.08610	38.8
95.09219	1.9
96.40041	1.4
97.06512	4.4
97.10151	2.9
98.21484	2.7
99.08094	4.2
105.04502	1.2
105.07032	58.5
107.08596	57.2
108.66401	1.4
109.06508	3.6
109.10154	13.4
111.04345	1.6
111.08078	1.5
116.06266	1.6
117.07015	11.0
119.08585	51.7
121.10147	40.1
123.08063	2.3
123.11702	3.1
125.09642	1.6
128.06267	2.2
129.07004	8.8
131.08571	20.9
133.10135	49.0
135.08055	1.9
135.11699	39.5
137.05981	8.4
137.09619	2.5
142.07797	1.8
143.08559	11.1
145.10120	22.7
147.07973	1.9
147.11690	46.8
149.09601	3.1
149.12167	2.0
149.13268	26.1
157.10121	10.8
159.11694	21.1
161.09605	3.1
161.13261	36.1
163.11116	3.7
163.14818	7.2
171.11710	14.3
173.13249	14.5
175.11201	3.1
175.14819	19.3
177.12769	3.6
177.16351	1.5
185.13284	11.5
187.14789	4.7
189.12769	5.3
189.16324	2.5
193.12230	1.7
196.68901	1.5
199.14819	6.0
203.14212	1.7
213.16370	4.7
215.17924	3.5
217.19421	7.0
231.17482	4.0
231.21045	9.4
241.19521	34.5
259.20584	100.0
261.22211	1.9
277.18323	3.2
277.21597	19.6
333.24237	10.6
351.12125	1.3
351.21353	7.4
351.25293	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
52.17050	1.2
53.03938	2.3
54.07553	1.5
55.01854	2.8
55.05513	13.9
56.96566	2.6
57.03424	4.7
57.07063	3.7
61.03601	1.4
64.14112	1.3
65.03932	1.6
67.05511	29.3
67.80544	1.2
69.03383	1.4
69.07074	11.5
69.77901	9.0
71.04996	1.8
71.08629	1.8
75.04467	1.5
77.03913	1.5
77.97369	1.2
79.05495	37.9
80.35254	1.1
80.59760	1.2
81.03405	1.6
81.07064	33.2
83.04974	2.8
83.08609	4.9
85.06544	2.5
91.04955	2.5
91.05490	36.5
91.60367	1.4
93.07046	40.3
95.04969	4.7
95.08611	23.3
96.08870	1.2
97.06523	3.2
97.10117	1.8
98.20708	1.3
98.97553	2.4
99.08104	3.2
105.07029	37.7
107.08603	26.1
109.06544	2.1
109.10178	7.9
111.08076	3.1
113.09646	1.4
117.03407	1.4
117.07005	6.9
119.07784	2.1
119.08592	33.2
121.10146	19.5
123.08117	1.8
123.11709	2.6
129.07014	5.2
131.08577	12.9
133.10135	27.8
135.08061	2.6
135.11711	18.7
137.09631	1.9
143.08574	6.2
145.02895	1.5
145.09108	1.9
145.10138	14.1
146.05983	2.0
147.04355	1.9
147.10622	2.3
147.11699	28.0
149.09691	1.9
149.13281	11.5
151.11224	2.4
151.84122	1.4
157.10152	5.7
159.11682	10.3
161.13269	24.2
163.11194	2.8
163.14777	4.0
166.43962	1.4
171.11700	7.3
173.13243	8.0
175.04076	1.6
175.11226	1.6
175.14816	8.2
177.05484	1.7
177.12915	2.1
179.14307	1.5
185.13258	9.9
187.14798	2.3
189.12692	2.8
199.14790	4.8
203.14325	2.2
213.16406	3.2
217.19617	2.6
231.21120	6.2
238.16370	1.4
241.19524	20.7
244.09479	2.8
244.59767	3.5
259.20575	52.5
260.21024	1.4
277.21616	5.6
305.12665	2.5
333.11359	1.8
333.20276	4.3
333.24124	1.9
351.21365	100.0
351.25366	30.3
352.21622	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.01866	7.7
55.05511	38.8
56.96551	2.9
57.03440	22.4
57.07090	5.6
65.03951	4.7
67.05507	100.0
68.01982	2.4
69.03433	2.8
69.07066	29.7
71.04984	5.1
71.08636	50.6
71.11240	4.2
79.05497	58.6
81.03433	14.2
81.07058	82.0
83.04980	9.5
83.08620	23.8
85.06541	4.9
85.10198	5.0
91.05482	48.6
93.07048	77.2
95.04970	19.6
95.08608	51.8
97.06554	6.1
97.10175	10.6
99.08096	44.6
105.07035	45.7
107.04994	4.3
107.08598	52.7
109.06523	8.0
109.10158	31.6
111.08092	9.0
113.09635	7.5
115.05456	2.8
117.07030	12.0
119.08575	35.9
121.06531	2.9
121.10134	22.8
123.08067	5.2
123.11707	5.3
125.09660	6.4
127.11124	3.3
129.06966	7.1
130.04556	2.3
131.08563	14.5
133.10135	25.6
135.08061	3.2
135.11700	28.6
137.09616	3.6
137.13274	3.2
143.08582	5.4
145.10135	18.0
147.11690	25.5
149.02333	3.5
149.09615	3.4
149.13280	14.2
151.11182	28.7
157.10114	3.5
159.11703	7.3
161.13271	26.1
163.11182	13.3
163.14819	6.8
165.12752	8.5
171.11664	11.8
173.11850	3.0
173.13274	7.4
175.14783	12.6
177.05571	3.0
177.12810	4.4
179.14249	14.3
185.13300	7.1
187.14813	3.5
189.11165	4.6
193.05069	2.8
199.14859	5.2
210.00169	2.3
215.18172	2.4
217.19350	3.0
221.15392	2.9
228.25746	2.4
231.21080	6.9
241.19516	14.1
259.20615	23.8
277.21646	59.0
281.14337	5.0
295.22623	2.7
333.17258	3.6
334.15500	2.5
351.12286	5.1
351.17920	4.4
351.21411	12.7
351.25317	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.05497	26.2
57.03423	8.3
57.07073	7.9
61.53005	5.9
67.05503	51.0
69.07066	57.7
71.04998	13.0
71.08622	11.1
71.59863	6.0
79.05486	35.6
80.33065	5.5
81.07047	61.7
83.04979	8.1
83.05455	5.1
83.08607	14.2
86.26691	5.0
91.05467	41.2
93.07042	74.7
95.04965	17.7
95.08612	75.8
97.06519	15.7
99.24955	4.7
105.07017	74.7
106.07328	6.9
107.04911	6.1
107.08605	58.7
109.06516	8.3
109.10148	47.4
117.07023	15.5
119.08585	100.0
121.06520	7.1
121.10158	55.0
123.11702	18.4
128.06154	5.7
129.06989	12.6
130.07822	8.3
131.08569	36.1
133.10123	57.0
135.08066	16.7
135.11693	14.3
137.13312	8.3
142.07773	14.4
143.08557	26.0
145.10136	43.1
146.07272	9.5
147.08002	9.5
147.11682	36.7
149.09644	9.9
155.08542	9.1
156.09277	7.8
157.10147	42.5
159.08037	6.4
159.11693	23.2
161.09648	39.4
161.13297	15.9
163.11137	5.5
169.10062	8.4
170.10936	7.0
171.11702	23.0
173.13274	19.1
175.14870	14.0
177.16402	12.8
183.11720	7.0
185.13266	13.3
189.16415	8.8
195.11618	6.7
197.13301	8.5
199.14752	12.9
209.13240	12.0
211.14824	9.5
228.44421	5.5
240.18381	5.3
241.19490	7.3
255.20850	7.3
351.26764	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.55446	2.2
55.01879	6.3
55.05512	3.3
57.03436	3.6
61.02921	6.6
67.05503	8.1
67.82118	2.3
68.99794	3.0
69.03443	29.4
69.07073	60.9
69.25412	25.8
71.04990	5.6
73.02918	5.8
81.03433	17.7
81.07064	6.5
84.53016	2.3
85.02912	66.5
85.28983	2.6
86.09697	4.0
87.00841	35.5
91.05455	3.3
93.07057	5.8
95.04995	2.9
96.80836	2.7
97.02901	40.1
97.06541	3.7
99.04462	7.3
100.29948	2.5
105.01877	60.5
107.08590	4.0
109.02892	19.1
111.08112	3.7
117.01888	3.0
120.01174	3.7
120.08080	2.4
127.03931	64.3
129.01839	2.5
135.04425	4.8
137.02348	6.4
145.02983	3.0
145.04973	43.9
153.09102	2.9
154.13457	2.2
159.02907	11.2
161.02316	3.9
163.03931	18.8
177.09204	3.0
181.05003	5.6
189.03947	4.2
191.03387	9.1
195.10179	5.8
213.14903	9.1
231.05034	17.7
249.06102	9.7
274.45346	2.9
295.06119	5.7
297.07559	36.0
325.07092	87.3
334.16882	5.5
336.58789	2.3
353.06601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1608
Annotation	AC1NS4SC
Peak:m/z	Relative Intensity
50.63127	0.5
53.03955	0.9
54.35739	0.6
55.01874	1.1
55.05510	1.2
56.96596	0.6
57.03435	1.7
57.07079	3.9
57.68758	0.6
60.04529	1.2
61.02927	1.2
65.03960	0.7
65.53210	0.7
67.05513	2.5
67.65115	0.5
69.03429	5.1
69.07072	10.4
70.06603	1.1
71.04999	1.1
71.28437	0.6
71.60706	0.7
72.08158	7.7
73.02914	1.6
74.00669	1.5
75.27383	0.5
79.05503	0.9
81.03428	3.9
81.07075	1.5
83.04993	1.2
84.08155	1.0
85.02903	12.9
85.06550	3.6
86.09720	2.8
86.49934	0.6
87.00836	5.6
88.03972	1.0
91.05485	1.6
93.07028	0.9
93.40198	0.6
95.08627	1.3
97.02901	8.3
98.97602	1.0
99.04462	1.9
105.01869	11.6
105.07027	0.7
107.04962	0.6
107.08619	0.7
109.02856	2.8
109.10182	3.1
110.07201	0.8
119.03535	0.8
119.04968	0.8
119.08633	0.6
120.01161	5.1
120.08109	3.6
123.94958	0.5
127.03918	10.2
131.08591	0.6
136.06194	100.0
136.07530	5.6
137.09628	1.9
145.02960	0.5
145.04964	8.0
146.06021	1.3
147.04510	0.7
148.05145	0.5
148.06137	3.2
148.40236	0.6
149.05920	0.6
149.09662	0.9
155.10698	4.3
159.02943	1.6
159.06723	2.6
159.10210	3.3
159.11287	1.3
161.27051	0.6
166.08656	2.4
175.09816	0.9
177.05553	1.0
185.08286	5.2
187.10864	1.3
190.08600	1.2
193.09755	2.9
202.10866	8.6
220.11940	94.3
221.12228	1.3
225.07823	1.2
231.04968	2.8
248.08022	1.1
249.05975	1.7
252.10600	0.8
253.11804	2.1
288.12262	0.9
298.10965	0.8
306.13162	1.5
325.07205	1.2
335.15771	1.0
352.12549	1.9
352.16098	8.1
353.06509	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	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
54.57824	1.6
55.01863	3.4
55.05515	16.8
56.05035	7.7
57.03425	3.9
58.06596	4.2
60.04525	11.2
65.03931	4.0
67.05506	44.7
67.13191	1.6
68.05014	2.0
68.05840	3.6
69.07074	31.2
69.66921	4.1
69.67343	8.4
70.06584	3.8
71.05014	1.8
71.08623	5.1
72.04529	1.7
79.05493	28.3
80.05022	27.5
81.03422	3.4
81.05811	3.6
81.07063	36.3
82.07420	1.9
83.04966	4.0
83.08625	9.3
83.09044	1.6
84.04504	1.8
84.08147	3.9
85.06511	2.0
85.10204	1.9
91.05479	30.3
92.05047	2.7
92.05742	1.8
93.05807	2.4
93.07047	28.1
94.06568	17.1
94.07398	1.8
95.04986	10.5
95.07360	4.1
95.08612	21.8
96.08144	3.7
96.08926	2.8
97.06520	3.8
97.10181	7.5
97.71673	1.7
98.09705	2.7
99.08118	2.9
105.07035	28.7
106.06551	4.9
107.04955	2.0
107.08604	23.8
108.08113	7.6
108.08848	2.0
109.06524	5.2
109.10154	12.2
110.06072	3.0
111.08067	2.4
113.09668	1.8
117.07018	7.9
119.08605	22.5
120.08104	3.9
121.06543	2.6
121.10161	11.5
122.09714	2.4
122.10501	1.7
123.11690	3.2
125.09634	4.4
128.06300	1.6
129.06979	1.9
131.08549	10.8
133.10120	17.3
134.09628	3.6
134.10509	1.8
135.08064	2.1
135.11717	5.7
136.11214	3.1
137.09618	4.6
138.12730	1.7
143.08588	2.1
145.10167	8.7
147.11693	8.6
148.11179	3.4
149.09656	5.5
150.12762	2.9
151.11153	2.0
154.12291	11.7
157.10156	2.2
159.11694	9.4
161.09669	2.1
161.13321	4.0
163.11226	5.8
172.13332	3.7
173.13275	4.2
176.14270	4.5
177.12788	5.0
180.13937	1.9
183.11705	2.6
189.11296	2.7
192.13840	2.7
196.13315	5.3
204.13858	26.8
206.15408	4.3
207.13844	2.7
210.14986	3.8
222.14856	32.4
223.15662	2.9
224.16441	4.6
229.19518	2.0
239.17987	2.2
257.18997	10.5
260.20926	2.5
272.20154	3.0
274.21689	22.6
275.20074	45.2
278.22049	4.6
290.21121	4.6
292.22720	100.0
293.20709	2.6
310.23651	2.7
316.22711	3.3
334.23676	17.5
352.21890	4.6
352.24966	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2848
Annotation	Melophlin R
Peak:m/z	Relative Intensity
50.07190	1.7
53.03934	2.7
54.87131	1.7
55.05519	15.8
56.05027	6.5
57.07085	3.6
58.02976	10.6
58.06596	2.9
60.04528	3.1
67.05169	2.4
67.05512	40.3
69.07072	18.7
70.06599	52.3
70.12338	7.4
71.08642	2.1
79.05499	22.2
80.05032	2.0
80.21062	1.6
81.05782	2.1
81.06637	2.6
81.07071	34.6
82.06583	17.8
83.05031	1.6
83.08627	8.2
84.04507	5.8
84.08144	2.4
86.09725	2.3
91.05492	12.8
93.07048	24.6
94.06558	11.2
95.04970	3.4
95.07388	3.0
95.08611	22.2
96.08138	18.6
97.06533	3.0
97.10156	2.4
105.07040	7.2
106.51826	1.6
107.08634	12.3
108.08122	4.1
109.06487	1.8
109.10155	19.1
110.09694	3.9
114.12804	5.1
117.07004	3.8
119.08595	8.4
120.08098	2.3
121.10156	10.3
123.11700	5.1
126.12813	39.5
135.11697	3.9
137.09618	2.3
145.10078	2.7
147.11665	3.2
149.13280	3.7
154.12268	12.6
156.13907	1.7
161.13223	2.2
166.15926	34.2
167.13631	1.9
169.29095	1.7
180.13850	7.4
212.16486	40.2
220.17003	10.4
240.16017	6.3
250.18088	3.4
252.19600	57.5
303.23184	3.4
317.24936	3.0
322.27203	2.3
322.39948	2.0
324.29111	3.2
334.27472	10.7
352.28482	100.0
353.28781	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96182	0.2
53.03942	0.7
55.01864	0.9
55.05508	0.8
57.03434	0.7
64.88317	0.3
65.03941	0.4
67.05505	2.7
68.99798	1.0
69.03432	1.3
69.07057	0.6
69.43085	1.0
69.43509	1.0
70.06588	0.6
71.01324	0.2
71.05003	0.3
73.02911	0.6
77.03916	0.3
79.05493	2.5
79.09418	0.2
81.02986	0.3
81.03411	1.5
81.07067	1.3
83.04989	0.5
84.08127	0.4
85.02914	2.0
86.03294	0.3
87.04504	0.3
89.03919	0.8
91.05480	3.1
92.05775	0.2
93.03396	0.4
93.07053	1.7
95.04969	3.8
95.08604	0.9
97.02884	0.9
97.06531	0.6
98.97587	0.8
99.04483	0.4
102.11903	0.3
103.03950	0.3
103.05456	0.3
105.01879	0.3
105.03383	0.4
105.07046	1.5
107.04958	3.0
107.08593	1.5
109.02895	0.5
109.06527	0.6
109.10115	0.4
110.07170	0.5
111.04414	0.4
111.08105	0.4
111.46760	0.3
116.98640	0.3
117.03387	0.8
117.07017	0.8
119.04935	1.1
119.08593	1.1
121.02861	4.6
121.06506	0.8
121.10140	1.0
123.04439	0.8
123.08060	0.4
127.03898	0.8
129.07013	0.4
131.03400	0.2
131.04845	0.3
131.08569	1.6
133.06482	0.4
133.10130	0.6
135.03403	0.3
135.04424	6.3
135.08041	0.4
135.11662	0.3
136.64896	0.2
137.02333	4.7
137.03386	0.3
137.05963	1.3
137.09659	0.3
143.08557	0.4
145.02867	2.1
145.06511	0.4
145.10123	1.2
147.04433	1.0
147.08040	0.6
149.02347	1.1
149.06017	0.3
149.09627	1.8
151.07611	0.3
153.05466	0.2
153.07018	0.3
155.08543	0.5
157.10083	0.3
159.08063	0.3
161.02367	4.2
161.05975	0.9
161.09619	0.4
163.03906	17.5
163.07545	0.6
163.11250	0.7
165.05476	0.5
165.09103	0.3
167.03438	0.4
167.07062	0.9
167.08505	0.6
169.10095	0.3
173.02356	0.7
173.09653	0.8
173.13309	0.5
175.03906	0.9
176.01012	0.6
177.01941	0.3
177.05450	0.9
177.06973	0.4
178.07877	0.2
179.03392	0.3
179.07161	0.3
181.04967	5.4
181.06403	0.3
190.02582	0.6
191.03397	8.0
191.06946	1.8
191.10654	0.9
191.14288	0.6
193.04788	0.3
195.08070	0.3
203.10834	0.4
205.06534	0.4
207.06531	0.7
207.10120	0.3
209.04376	1.4
209.11765	0.4
211.07550	0.4
217.04982	0.4
219.02928	0.4
221.06041	0.3
223.07561	0.7
226.06334	0.3
229.08719	0.3
233.06013	0.3
237.02745	0.3
245.04466	0.4
251.07028	0.8
254.05632	0.4
255.06538	1.0
261.05420	0.3
269.08096	1.1
279.06592	1.3
280.48065	0.2
282.05164	0.7
283.05911	1.4
295.06012	3.7
296.06674	0.5
297.07584	28.5
307.06323	1.4
310.04761	1.5
311.05432	0.8
317.13956	0.4
321.11154	0.5
323.05423	0.7
324.06247	2.3
325.07065	76.5
326.07480	1.1
335.05508	0.4
335.22351	0.3
338.07913	0.3
353.06543	100.0
354.06821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1496
Annotation	Moschamine
Peak:m/z	Relative Intensity
56.63518	0.4
65.88263	0.4
66.68531	0.4
70.30290	0.9
70.30659	1.2
72.07664	0.4
74.39222	0.4
78.04708	0.7
88.43658	0.5
89.03917	7.8
91.05498	0.8
117.03386	26.9
134.03625	1.8
135.04399	1.3
145.02856	60.0
146.03146	0.7
149.05994	7.4
160.07574	6.2
163.03838	0.6
177.05481	100.0
178.05756	1.4
186.05486	0.5
224.23308	0.4
336.12625	0.5
353.14978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05522	0.4
56.02524	0.2
56.96554	0.3
57.03451	0.3
63.02378	0.7
67.05515	0.8
69.03429	0.8
69.07053	0.4
71.59773	0.3
78.04769	0.3
79.05488	1.2
80.05881	0.3
81.03423	0.9
81.07065	0.9
83.04968	0.4
86.09708	0.2
89.03918	8.8
91.05486	1.2
93.07050	1.1
95.04958	0.5
95.08609	0.8
97.02912	0.3
97.06522	0.4
98.97591	0.4
103.05447	0.8
103.97146	0.2
105.03388	0.2
105.07024	1.0
106.04179	0.7
107.04931	0.4
107.08594	1.1
109.02887	0.6
115.05441	0.7
117.03381	25.7
118.03658	0.3
119.04935	0.4
119.08599	0.5
119.70622	0.3
121.02883	0.4
121.06488	0.5
121.10141	0.4
124.05249	0.3
127.03915	0.6
131.08589	0.6
131.17213	0.3
132.08101	0.7
133.06516	0.3
133.10083	0.4
134.03653	1.9
135.04434	1.4
135.07980	0.4
137.05978	0.7
137.09654	0.3
145.02849	57.7
145.10097	0.8
146.03198	0.6
147.04388	0.3
149.05980	8.8
149.09602	0.5
151.07533	0.3
158.06013	0.3
160.07579	8.3
161.05937	0.4
161.09544	0.3
163.03893	0.8
163.07506	0.5
167.07039	1.3
173.09489	0.2
177.05472	100.0
178.04494	0.3
178.05785	1.4
186.05550	0.8
191.07056	2.4
192.07777	0.5
195.01065	0.3
199.07655	0.4
203.08240	0.4
218.07166	0.4
219.08104	0.5
231.08064	0.3
234.04434	0.3
234.06760	0.3
235.07367	0.4
247.07379	0.3
259.05945	0.7
261.09082	0.6
263.07001	0.7
266.17606	0.4
289.08731	0.5
292.07205	0.4
293.11606	0.3
297.07523	0.3
307.09521	0.5
309.21533	1.0
321.07556	0.5
321.11087	1.1
323.08801	0.3
325.07028	0.8
335.22223	0.3
336.12061	0.7
353.06491	0.7
353.10132	2.1
353.14270	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	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41025	1.5
53.03939	5.4
55.01869	5.8
55.05513	5.4
57.03442	8.5
59.04979	1.6
61.02925	10.2
67.05511	7.3
69.03434	47.8
69.07072	18.9
71.04996	5.9
71.13672	1.8
71.13995	1.9
73.02915	6.0
77.16266	1.3
79.05487	8.2
81.03427	13.4
81.07065	9.1
83.04980	9.4
85.02908	59.5
85.03426	3.4
87.04459	6.4
91.03955	3.9
91.05489	12.5
93.07037	18.5
95.04970	6.2
95.08633	8.9
97.02905	22.3
97.06532	7.2
99.04457	10.2
103.05486	2.5
105.07033	18.4
107.04957	3.6
107.08613	19.9
108.08140	5.1
109.02878	11.5
109.06519	6.8
109.10126	7.5
111.04486	2.9
111.08097	3.2
115.03949	1.9
115.05456	1.7
117.03389	2.7
117.07050	4.6
119.04961	2.4
119.08574	14.9
121.06491	13.3
121.10155	14.2
123.04465	1.8
123.08081	4.7
123.11713	2.8
125.09616	1.6
127.03927	22.5
129.07028	2.8
131.04906	2.2
131.08578	9.0
133.06522	4.3
133.10130	14.1
135.04446	2.4
135.08058	46.2
135.11690	5.6
137.06047	2.7
137.09648	7.7
143.08568	3.8
143.17700	1.7
145.02876	2.0
145.04964	10.1
145.06541	2.4
145.10144	8.6
147.04396	3.0
147.08076	4.1
147.11690	22.3
149.05959	1.8
149.09621	10.1
149.13235	10.2
153.01884	3.5
157.10106	2.1
159.08005	2.2
161.05931	1.6
161.09697	7.9
163.03873	6.9
163.07570	3.8
163.11174	25.6
163.14838	2.6
167.07092	10.3
169.08679	1.8
171.11682	2.2
173.13272	11.8
175.11269	2.4
175.14899	1.7
176.11972	3.4
177.05450	5.3
179.10709	1.9
187.11125	3.0
187.14764	2.4
189.12785	3.1
190.07893	2.2
191.03421	1.9
191.07005	6.6
191.08484	2.4
191.10667	3.2
191.14308	100.0
192.08340	2.3
197.13113	1.9
203.14340	5.3
209.15413	4.9
215.14328	4.6
218.07315	2.0
221.15239	1.7
225.12714	1.7
232.08809	1.5
233.09668	3.3
233.15324	9.5
234.06845	1.5
235.07503	2.8
246.06836	2.5
247.07648	2.1
253.15790	2.3
257.15445	4.1
261.09140	4.8
263.07101	2.3
277.08447	1.9
278.09393	2.6
289.08569	4.3
293.11676	2.8
297.07513	6.0
297.13333	5.7
299.16418	5.9
306.09018	1.9
307.09702	1.9
310.13684	2.6
310.20090	4.6
317.17590	8.2
321.11249	6.5
325.07138	13.5
335.18576	6.7
336.11981	2.2
336.22079	3.4
343.06860	1.9
353.06549	14.5
353.10205	5.3
353.13828	11.9
353.19556	28.1
353.23935	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	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12786	0.6
53.03893	0.8
55.01819	1.2
55.05464	1.2
56.04956	0.7
57.03363	0.5
57.07002	2.7
57.07272	1.3
65.03894	0.6
66.81979	0.5
67.05418	3.5
68.99731	1.3
69.03339	3.2
69.06984	3.6
69.86931	3.4
70.06526	1.2
70.07353	0.8
70.38397	0.7
71.04931	0.9
74.55927	0.5
79.05404	3.3
81.03326	2.7
81.07053	4.3
83.04905	1.1
84.08083	0.7
84.29497	0.6
84.65568	0.6
85.02910	3.9
85.06535	7.7
86.03181	1.1
86.09623	1.0
87.00744	1.3
89.03841	0.8
91.05474	3.3
93.03337	0.8
93.06955	2.2
95.04964	5.2
95.08603	3.3
97.02805	2.0
98.03156	1.2
99.04378	1.1
99.08022	1.7
103.05401	0.8
105.01862	3.0
105.06946	2.3
106.02127	0.9
107.04852	3.3
107.08511	2.1
109.02802	1.7
109.06432	1.3
109.10087	1.6
112.08572	0.6
117.03298	0.9
117.06956	0.8
119.04866	2.0
119.08498	2.7
120.08153	3.6
121.02769	2.5
121.06441	1.4
121.10044	2.1
123.04380	1.5
123.08012	0.9
127.03841	1.4
128.04228	1.2
129.06952	0.6
131.04814	0.7
131.08481	2.0
133.10103	1.1
134.06004	0.8
135.04437	7.4
135.05394	1.2
135.07996	1.3
135.11630	1.1
137.02341	4.8
137.05861	1.7
137.09558	1.1
137.13187	1.7
145.02754	2.1
145.04883	1.7
145.10022	1.8
146.03539	1.9
147.04338	2.0
147.11598	1.1
148.03888	1.1
148.07501	0.8
149.02295	0.7
149.05859	1.4
149.09540	2.7
154.57509	0.7
155.14326	5.3
161.02361	5.3
161.05885	2.6
163.03912	21.1
163.07491	0.8
167.06949	1.9
167.08301	0.7
170.97012	0.6
171.07976	0.8
173.09589	1.2
173.13213	1.1
173.15315	1.4
175.03914	0.9
176.06993	2.2
176.98656	0.7
177.05557	3.4
178.04858	1.9
181.04971	5.3
191.03395	12.1
191.06941	2.0
191.10585	1.6
191.14508	3.4
191.16159	3.4
192.06580	3.2
202.02579	2.1
207.06372	1.2
209.04318	2.0
217.04988	17.1
217.47818	0.7
245.04411	1.9
247.05843	0.7
251.06996	0.9
255.06622	1.1
269.07938	1.1
283.06015	1.5
292.07205	1.1
295.06259	4.0
295.09189	1.2
297.07593	32.0
298.07910	1.9
307.05939	1.6
308.09256	0.8
310.04651	1.9
317.13736	1.0
324.06360	1.5
325.07062	90.7
326.07370	4.3
353.06577	100.0
353.20117	2.2
354.06943	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07138	0.3
54.64783	0.3
55.05508	0.4
60.89134	0.3
67.05508	0.4
70.18381	1.0
70.18776	0.6
77.00939	0.3
81.07053	0.6
82.71117	0.3
91.05486	0.4
93.07075	0.5
95.08620	0.4
98.21505	0.3
98.97544	0.3
107.08624	0.4
111.30225	0.3
119.08575	0.4
123.92768	0.4
152.03870	0.3
167.07019	0.4
191.07076	0.3
199.22673	0.3
227.84270	0.3
236.16479	0.9
243.14592	0.5
246.15050	0.6
253.12982	0.8
271.13934	0.6
307.20294	0.5
335.20959	1.3
353.23013	100.0
354.23099	1.5
371.22864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.11407	1.4
53.03941	3.9
55.05301	1.4
55.05515	13.3
57.03421	6.4
57.07063	3.1
65.03926	2.3
67.05509	90.6
69.07074	11.4
70.10849	3.4
70.11269	5.0
71.08613	1.6
74.66890	1.6
75.04501	2.2
79.05051	2.3
79.05495	39.9
81.07063	99.6
83.08630	7.2
85.06537	4.3
91.05474	21.0
93.07052	49.2
95.04980	2.2
95.08613	75.0
97.06525	2.0
97.10162	5.1
99.08086	2.7
105.07030	15.0
107.07947	2.6
107.08601	36.2
109.09434	2.9
109.10155	39.3
113.09615	1.7
117.07009	6.8
119.08601	11.9
121.10148	30.9
123.11714	21.9
131.08575	20.6
133.10138	10.3
135.11697	24.6
137.09605	2.1
137.13242	9.1
138.84723	1.5
145.10150	14.9
147.11700	9.1
149.13263	18.6
151.11102	1.6
151.14871	3.4
159.11705	16.5
161.13284	8.0
163.11276	1.8
163.14861	11.5
169.06032	1.5
171.11580	1.6
173.13269	17.8
175.14796	4.0
177.16393	4.6
179.14275	2.7
187.14836	11.3
195.13924	1.4
201.16463	3.2
205.15894	1.8
219.17468	2.0
233.22620	4.0
243.21088	21.4
261.22162	100.0
262.22482	3.9
271.90210	1.5
279.23285	5.3
335.25815	14.1
353.26859	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	1.4
55.05513	15.5
57.03438	5.9
57.07082	5.6
59.05010	1.0
65.03945	3.1
67.05508	98.2
69.07077	15.4
70.76290	2.5
71.04987	4.0
71.08635	2.1
75.04488	1.8
77.19172	0.8
79.05496	42.7
81.07061	100.0
82.74518	0.8
83.04984	1.7
83.08627	7.5
85.06556	1.9
91.05489	20.3
93.07052	54.7
95.04965	2.4
95.08611	75.4
97.06538	3.5
97.10187	4.3
99.08096	3.0
103.54453	0.9
105.07039	16.3
107.08598	39.5
108.60229	0.8
109.06541	1.9
109.10159	43.1
111.08026	1.3
111.11713	1.5
111.32460	0.8
113.09683	1.5
117.07021	8.1
119.08583	14.1
121.10148	30.3
123.08069	1.6
123.11716	21.8
125.09578	1.2
131.08580	21.3
133.10123	13.3
135.11699	25.1
137.09647	1.3
137.13248	8.9
139.11194	2.3
143.08623	0.9
145.10135	14.1
147.11703	10.2
149.09639	0.9
149.13268	19.3
151.11182	1.8
151.14835	2.0
153.12770	1.7
159.11696	14.0
161.13254	8.0
163.11125	1.5
163.14827	12.2
165.12790	0.9
173.13280	15.1
173.24237	0.8
175.14854	2.9
177.12779	1.6
177.16412	4.8
179.14307	2.0
187.14833	10.1
189.16345	0.9
191.14326	1.4
201.16406	3.0
205.15837	1.8
209.15427	0.8
212.86259	0.8
214.46722	0.8
215.17842	1.4
219.17552	0.8
233.22623	2.7
243.21098	23.3
261.22153	81.8
262.22577	1.8
263.23773	1.1
273.72321	0.8
279.23145	8.0
317.24683	1.3
335.25854	8.3
335.29422	1.1
351.13724	0.8
353.26859	20.7
353.30524	1.8
354.27328	1.4
377.98306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18587	2.3
52.40249	2.3
53.03926	4.2
55.05507	17.9
56.96560	2.7
57.03437	5.4
57.07071	5.7
59.12654	2.1
65.03924	3.2
66.94950	2.3
67.05507	85.4
67.78378	2.3
69.07067	16.7
69.88235	13.0
71.05005	4.9
74.47135	2.4
79.05060	3.5
79.05495	53.6
81.07060	100.0
83.08604	7.4
85.06573	2.8
91.05481	23.2
93.06470	3.8
93.07050	70.1
95.04945	3.2
95.08611	73.1
97.10126	3.3
105.07047	18.6
107.07941	4.2
107.08600	45.7
109.10161	39.0
117.07001	11.0
119.08563	15.4
121.10142	34.0
123.11698	19.4
131.08565	19.6
133.10139	15.7
135.11716	24.5
137.13239	9.7
145.10097	15.0
147.11671	9.5
149.13249	20.4
149.63655	2.7
159.11736	13.8
161.13228	6.3
163.14825	11.5
173.13324	14.7
175.14818	5.3
177.16411	5.6
187.14835	9.3
201.16406	3.1
218.72972	2.5
243.21143	20.0
243.85403	2.4
244.47849	3.3
261.22153	91.9
279.23193	3.1
323.79596	2.8
335.25702	5.9
353.26859	22.6
377.43234	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.7
55.01872	1.3
55.05517	13.9
57.03439	6.2
57.07068	3.1
65.03941	4.3
67.05508	97.6
69.07068	13.2
70.29147	3.6
71.04981	2.4
71.08611	0.9
75.04457	1.0
77.03905	1.1
79.05496	41.1
80.09766	1.0
81.07063	100.0
83.04967	1.4
83.08600	6.4
85.06535	2.7
91.05476	21.4
93.07050	57.6
95.04974	2.0
95.08611	72.7
97.06535	3.2
97.10153	4.1
99.08080	1.8
105.07031	18.8
107.08601	33.6
109.06533	1.2
109.09441	1.9
109.10160	34.5
111.11718	1.4
113.09618	1.6
117.07016	9.8
119.08593	14.3
121.10148	32.0
123.08058	1.5
123.11714	20.9
131.08569	21.0
133.10144	12.2
135.11702	25.2
137.09586	1.2
137.13278	8.1
145.10133	14.1
147.11687	10.5
149.13261	17.0
151.11182	1.4
151.14798	1.9
153.12724	1.5
159.11703	11.5
161.13258	9.4
163.11151	1.2
163.14828	10.6
165.12799	1.3
167.66502	0.9
173.13287	13.8
173.37149	1.0
175.14793	2.7
177.12784	1.8
177.16383	3.9
179.14383	1.6
187.14828	9.6
201.16367	3.1
205.15857	1.4
206.79070	1.0
219.17375	1.5
233.22618	3.8
243.21077	23.0
245.64314	1.0
261.22162	90.6
262.22565	2.1
262.91467	1.1
279.23224	8.2
280.50659	1.2
317.24661	2.2
335.25800	11.5
353.26895	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.05509	12.2
57.03442	4.9
57.07062	3.5
58.32506	2.1
63.48035	2.3
67.05508	88.2
69.07078	14.1
69.07393	3.0
71.04957	3.1
71.08646	2.4
79.05501	43.7
81.07063	94.6
83.04964	2.5
83.08627	4.6
85.06511	2.2
85.52721	2.1
91.05491	26.6
92.57175	2.1
93.07048	64.4
93.13264	2.2
95.08614	73.7
97.10165	3.8
99.08126	3.0
105.07043	22.2
107.08599	38.0
109.10166	41.4
117.07001	7.5
119.08595	16.0
121.10167	33.7
122.15231	2.7
123.11720	20.7
131.08595	21.8
133.10144	15.8
135.11700	31.0
137.13248	7.7
145.10153	14.7
147.11684	11.9
149.13263	22.2
159.11694	18.1
161.13268	10.2
163.14821	11.7
173.13303	11.6
175.14836	3.7
177.12686	2.6
177.16463	4.7
187.14864	9.6
229.00412	2.7
233.22577	4.9
243.21098	25.5
261.22162	100.0
279.23117	3.1
335.25790	7.7
353.26880	22.4
369.85724	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03957	3.0
55.05516	13.3
56.87800	2.3
57.03444	3.1
57.07082	8.8
65.03944	3.6
67.05510	88.4
69.07076	14.2
69.07397	2.3
71.05149	5.9
71.08636	5.3
74.56414	2.5
79.05496	61.6
81.07064	100.0
83.05006	2.7
83.08628	7.7
85.06542	2.9
87.58873	2.7
91.05479	33.2
93.06459	4.2
93.07050	78.8
95.04974	7.6
95.08615	84.3
97.06518	5.7
97.10178	4.8
99.08112	5.6
105.07043	25.8
107.08612	46.5
109.10155	32.2
113.09651	2.5
117.07031	9.3
119.08564	11.6
121.10166	35.5
123.11703	13.7
131.08571	28.3
133.10136	11.6
135.11717	26.4
137.13249	6.9
145.10170	16.6
147.11717	11.0
149.13283	20.7
151.14856	6.0
159.11708	13.2
161.13327	9.7
161.78868	2.4
163.14838	18.0
173.13278	17.3
175.14832	3.0
177.12866	2.4
177.16333	6.1
187.14870	10.5
191.14317	2.9
194.75856	2.6
215.17836	3.3
233.22676	5.9
243.21091	33.5
260.82092	2.4
261.22168	90.0
287.81540	2.7
335.25818	6.2
353.26776	8.8
356.61392	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.05516	15.6
57.03454	5.1
57.07073	5.1
65.03955	1.9
67.05509	87.7
69.06775	1.2
69.07079	14.1
70.10898	3.7
70.11332	1.7
71.04977	2.0
71.08645	1.4
74.34781	0.9
75.04478	1.3
79.05498	43.4
81.07064	89.4
83.04975	1.4
83.08630	7.6
85.06541	2.8
89.15317	1.0
91.05486	22.4
93.07051	61.2
95.04967	3.3
95.08616	63.5
97.06534	2.3
97.10155	3.8
98.21370	2.1
99.08106	1.8
105.07031	17.9
107.08605	38.7
109.06567	1.3
109.09445	1.7
109.10169	32.4
111.08091	1.7
113.09624	1.1
117.07037	9.5
119.08583	12.1
121.10152	28.7
123.11710	15.9
125.09651	1.1
131.08586	20.4
133.10149	13.8
135.11700	26.9
137.09663	1.1
137.13249	7.9
145.10144	15.0
146.61905	1.2
147.11668	10.7
149.13271	19.2
151.14798	1.3
153.12708	1.4
159.11710	14.3
161.13196	8.7
162.90685	1.2
163.14830	12.1
165.12776	1.6
173.13275	14.6
175.14803	2.9
177.16400	4.7
179.14296	1.4
187.14880	9.1
201.16376	2.9
205.15892	1.7
233.22641	4.6
243.21123	22.2
246.30177	1.1
261.22168	100.0
262.22430	1.3
279.23215	3.2
326.15851	1.0
335.25845	6.7
353.26898	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	3.1
55.01860	3.0
55.05514	16.5
55.71609	1.8
56.73113	1.6
56.96563	3.0
57.03430	5.9
57.07076	8.4
65.03936	4.6
67.05507	97.2
69.03412	2.3
69.07074	17.8
71.04983	2.8
71.08620	3.4
71.19259	4.2
79.05050	4.1
79.05494	62.1
81.07056	100.0
83.04975	2.9
83.08623	10.2
85.06536	4.9
85.10155	2.8
91.05483	25.7
93.06455	3.7
93.07047	70.9
94.07409	3.2
95.04941	5.2
95.08608	81.1
97.06519	5.7
97.10153	4.7
98.97596	3.6
99.08085	6.6
105.07033	25.2
107.08598	42.4
108.08918	2.5
109.06526	3.4
109.10160	35.3
113.09605	3.0
117.07049	9.9
119.08585	18.5
121.10135	39.4
121.21142	2.0
123.08079	3.7
123.11707	17.2
131.04893	2.3
131.08566	23.8
133.10143	14.0
135.11693	26.5
137.09665	2.7
137.13264	8.3
143.08543	2.7
145.10129	20.5
147.11696	12.1
149.13254	23.6
151.14874	3.4
153.12808	2.5
159.11693	16.2
161.13264	13.5
163.14824	18.1
171.11650	2.1
173.13266	16.8
175.14893	4.0
177.05457	3.0
177.12830	2.6
177.16403	6.5
187.14854	6.4
191.14206	2.8
201.16353	3.0
216.65938	2.4
218.07224	2.1
219.21194	2.9
233.22708	7.1
243.21101	37.4
246.06755	1.9
261.22153	86.6
277.08472	2.7
279.23154	5.2
293.11389	2.0
293.22974	2.6
299.11801	2.3
321.07730	2.4
321.11182	4.7
335.25784	13.9
353.06442	4.6
353.10239	7.9
353.16937	3.6
353.22937	8.4
353.26712	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01857	4.3
55.22258	0.9
57.03429	3.1
61.02922	3.0
67.05483	2.9
68.99795	3.0
69.03070	1.5
69.03432	22.9
69.66272	6.8
71.04987	2.4
73.02907	3.6
74.38927	1.0
77.93845	0.9
79.05485	3.1
81.03416	14.7
84.08160	1.0
85.02911	61.1
87.00838	26.2
91.05457	2.0
95.04963	3.1
96.05293	1.3
97.02898	20.8
99.04476	7.4
105.01878	47.0
105.07031	1.3
107.04952	3.8
107.08563	1.1
108.04483	1.2
108.05261	1.1
109.02884	14.3
109.06573	1.1
109.10187	1.0
110.97546	0.9
117.01861	1.0
117.03362	1.8
118.03703	1.0
126.05518	1.1
127.03923	43.8
129.01837	2.4
133.10141	1.5
135.04434	3.0
136.04724	2.2
137.02357	2.8
137.05951	2.0
138.02684	2.4
145.02921	3.2
145.04965	20.4
146.03201	1.7
147.04373	2.9
149.02333	1.2
159.02901	7.3
161.02361	2.4
162.02716	2.6
162.05484	1.1
163.03943	10.0
164.04248	6.7
167.07040	1.3
177.04045	1.3
177.05499	3.8
178.05797	2.8
181.04977	3.3
182.05295	3.0
189.03972	1.2
191.03351	3.7
191.07054	1.0
192.03772	3.8
201.05530	2.5
203.72023	1.1
209.04515	1.2
213.03922	2.2
231.05052	12.7
234.06549	1.0
249.06107	2.6
262.05939	1.1
269.27621	1.0
270.08377	1.3
273.09128	1.1
284.06442	1.3
296.06479	3.8
297.07654	3.3
298.07910	28.6
308.06396	1.3
315.33636	0.9
315.78775	1.2
322.11661	1.2
325.06979	4.5
326.07413	73.1
327.07977	2.3
354.06918	100.0
354.10239	4.4
354.14175	2.5
355.07632	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	354.2639
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03934	2.4
55.01881	2.8
55.05519	16.1
56.05024	3.1
56.30200	2.1
56.96558	3.9
57.07077	2.6
60.04536	11.1
63.56060	2.1
67.05507	22.8
69.07081	11.1
70.06587	5.0
71.08626	13.1
71.59570	3.3
79.05492	19.5
80.05035	3.8
81.07066	22.8
82.06567	5.9
83.04972	2.5
83.08615	7.3
90.97688	2.0
91.05496	7.9
93.07052	24.1
94.06579	4.9
95.04967	4.0
95.08589	11.7
96.08110	2.5
97.10175	7.2
99.08117	6.8
100.11269	34.3
105.07031	7.9
107.04996	3.3
107.08593	15.0
108.08150	4.9
109.10162	8.8
111.08098	2.0
115.79784	1.9
117.07045	4.5
119.08592	9.0
121.10149	9.1
123.11671	2.2
125.09644	4.4
126.12862	2.7
129.25177	2.0
131.08551	2.4
133.10089	5.0
135.11711	5.8
138.12845	5.4
140.14403	2.3
142.12306	10.3
145.10124	3.9
147.11734	6.1
147.93506	1.9
148.57256	2.3
149.13286	4.9
150.12785	4.9
152.14389	3.6
154.12320	4.2
161.13232	3.7
163.11198	2.4
164.14343	3.5
171.11815	2.7
173.13322	3.0
177.12779	3.5
180.13834	2.1
231.21146	3.3
246.22198	2.4
252.06575	2.4
259.20682	12.9
274.21616	9.7
276.23212	26.5
277.21606	31.4
292.22739	6.5
294.24298	100.0
308.25827	3.9
318.24362	5.4
336.25330	13.2
354.26474	58.2
355.18549	3.2
355.26318	2.8
368.86151	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
55.05505	15.5
56.96568	6.5
57.03457	3.2
62.06096	100.0
62.86897	2.3
67.05508	21.4
69.03429	3.7
69.07075	18.6
69.48670	8.8
69.49090	12.1
71.04977	3.7
73.66158	2.8
79.05508	22.2
80.04990	3.4
81.03414	4.8
81.07072	34.0
83.04972	2.8
83.08627	7.5
85.06539	3.9
91.05468	18.3
93.07035	18.8
94.06613	2.8
95.04956	9.5
95.08605	20.5
97.06538	6.4
97.10194	4.7
98.06064	9.1
105.07017	19.8
107.04945	9.6
107.08592	13.3
109.06522	15.4
109.10164	5.1
117.03452	3.3
117.06995	7.6
119.08602	14.1
121.10161	9.3
123.08055	7.2
125.60738	2.5
129.07043	4.7
131.08580	11.6
133.10153	11.0
135.08055	3.0
135.11665	3.3
137.09592	3.8
143.08548	8.1
145.10120	12.7
147.11726	6.1
147.52235	3.1
149.09624	4.4
151.07506	3.1
156.56717	2.7
157.10139	3.2
159.11667	6.7
161.13293	4.3
163.11156	3.3
171.11757	4.3
189.12756	4.7
208.16916	3.7
236.16510	3.4
238.46732	3.2
240.19693	4.0
250.18008	13.4
268.19092	14.4
270.41730	2.9
273.18503	4.3
275.20016	7.3
276.23224	4.3
277.21353	4.0
286.20145	6.3
291.19644	4.7
294.24249	17.0
318.24277	36.3
331.17767	3.1
336.25397	25.1
354.10739	3.5
354.18967	5.9
354.22977	6.1
354.26657	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
51.66003	2.4
55.05510	17.9
56.96562	6.5
57.03439	7.4
61.18150	2.4
62.06093	100.0
65.63557	2.6
67.05507	21.7
69.03416	3.5
69.07064	12.1
71.04980	7.4
71.59675	2.7
77.28672	2.7
79.05493	25.8
81.03419	3.7
81.07063	26.7
82.06577	4.2
83.04980	3.5
83.08620	5.9
83.21134	2.7
84.96048	2.9
85.06554	4.7
88.72456	3.2
91.05471	16.7
92.46114	2.3
93.07057	27.5
95.04960	6.3
95.08608	20.7
95.68562	2.7
97.06527	9.4
97.10164	3.0
98.06053	4.0
98.97591	5.3
99.08117	3.9
105.07041	11.4
107.04961	5.8
107.08601	15.7
109.02864	3.1
109.06502	4.0
109.10149	11.1
111.08096	7.0
117.07026	4.6
119.08585	12.8
121.06506	2.5
121.10152	7.9
124.11296	3.2
125.09658	5.9
129.07024	4.4
131.08556	9.9
133.10152	6.4
135.11684	3.5
135.58830	2.7
137.05977	5.4
138.12796	5.6
143.08554	4.5
145.02864	3.8
145.10092	6.8
147.11664	5.6
154.12207	3.6
159.11725	3.5
161.06003	3.4
177.05453	7.5
182.15331	3.3
185.13327	3.4
198.22667	3.2
210.14902	13.0
214.14381	4.3
222.38185	2.7
228.15913	12.6
257.19058	3.5
266.21106	3.7
274.21686	2.9
275.20081	8.1
276.23257	7.3
277.21591	6.5
290.08847	4.8
294.24228	23.0
318.24188	16.3
322.11542	7.7
336.25342	87.0
337.23862	2.9
354.10373	4.6
354.22699	3.7
354.26633	34.1
355.15503	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.51320	0.8
53.03936	0.9
53.21902	0.7
54.78812	0.8
55.05512	12.9
56.05027	1.7
57.05808	1.4
57.07077	12.1
58.02952	2.0
58.06602	17.6
60.04533	6.9
67.05215	0.7
67.05512	8.2
69.07071	19.1
69.58318	1.9
69.58733	3.5
70.02949	2.3
70.06300	0.7
70.06593	8.7
71.04958	1.0
71.08640	8.5
72.04507	2.8
74.06062	2.6
79.05479	3.2
81.07059	15.1
82.06592	1.7
83.04977	1.5
83.08617	11.2
84.08146	6.7
85.06507	1.0
85.10210	4.1
86.06074	5.5
87.06822	1.4
91.05830	0.9
93.07030	2.8
95.04964	1.5
95.08614	15.6
97.06513	1.3
97.10165	8.8
98.09669	1.9
98.20754	1.8
105.07025	1.3
107.08588	1.6
109.10153	8.1
111.11723	4.7
119.08624	1.3
121.10157	1.1
123.08009	0.9
123.11713	4.9
125.13260	1.8
137.13260	1.7
149.74559	0.9
219.36246	0.8
233.99915	0.9
267.47800	0.8
268.29938	3.0
294.31638	3.8
306.31616	1.9
307.29901	2.7
308.33243	2.3
326.34344	3.8
336.32596	14.0
336.88947	0.9
337.31082	1.2
354.33673	100.0
355.33997	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	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.89296	0.6
62.62771	0.5
71.03125	1.0
71.03466	0.8
79.05488	1.2
83.04971	0.6
89.03912	7.2
95.86158	0.6
107.04958	2.4
117.03377	10.0
117.59571	0.6
119.99116	0.6
124.55315	0.6
135.04420	17.0
145.02849	12.6
163.03906	100.0
164.04385	0.7
175.05457	0.6
217.08525	0.6
217.88945	0.7
231.40472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
52.21086	1.1
54.41431	1.1
60.67296	1.2
66.52164	1.2
71.10034	1.6
71.10381	2.8
75.14366	1.1
89.03916	7.1
102.25153	1.4
107.04932	3.4
117.03376	11.7
135.04430	18.8
145.02856	14.9
163.03906	100.0
164.04207	1.2
193.04915	1.3
207.22301	1.3
217.08626	2.2
302.59012	1.5
353.81445	1.5
362.84317	1.4
379.19955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35567	1.5
53.76053	1.4
69.43042	2.4
69.43446	9.5
69.71155	1.2
80.98523	1.3
89.03915	8.6
98.20769	2.9
98.21424	2.9
107.04933	3.4
117.03363	11.2
135.04419	19.5
142.24112	1.5
145.02878	13.1
163.03909	100.0
164.04283	1.7
164.23167	1.3
168.53171	1.5
172.88992	1.3
200.77213	1.3
201.35019	1.6
357.08664	1.4
357.59686	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	355.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54659	1.2
50.73058	1.1
53.03944	3.2
55.01868	1.7
55.05526	1.3
57.02341	1.4
65.03919	1.4
69.88333	6.6
70.06567	3.4
72.08136	1.4
73.04747	1.7
79.05467	5.3
84.08138	2.6
85.02902	10.0
86.09688	1.5
89.03894	1.8
91.05476	4.1
95.04952	5.2
102.85986	1.4
103.05520	1.4
105.03403	4.1
105.04519	1.3
105.07039	2.5
107.04955	100.0
110.07108	1.5
114.93762	1.2
115.05436	5.9
117.03379	2.5
117.07037	7.4
117.35670	1.3
119.04933	4.1
119.08593	1.3
121.02869	30.3
123.04404	5.7
128.06244	6.0
129.06967	1.4
131.04948	4.3
133.02844	3.0
133.06491	3.6
135.04367	5.5
137.05972	2.8
144.05736	1.5
145.02795	2.9
145.06476	15.6
147.04402	1.9
155.06027	2.7
156.05690	37.8
157.06479	16.5
161.05966	3.7
163.03900	25.4
163.07587	1.4
165.07008	5.5
167.07053	17.0
171.04361	5.8
173.05975	21.9
174.06718	4.5
175.07480	1.4
178.07764	2.1
179.07083	1.8
181.05005	1.6
181.06476	3.1
183.08054	3.2
185.05928	2.2
186.03061	1.4
187.07555	2.3
189.05472	2.5
189.07019	1.8
191.06992	4.8
191.08580	4.0
193.04974	8.1
193.06461	1.6
193.08466	1.9
193.10057	1.4
194.07259	3.8
199.03912	2.3
201.05467	14.2
202.06337	7.4
202.07849	1.5
205.06522	2.1
205.08508	3.4
206.07233	1.7
207.08107	6.2
208.08844	8.7
211.07561	13.7
215.08540	3.2
217.08607	89.2
218.07280	4.4
219.08057	12.0
221.09718	2.9
222.06717	1.7
228.04195	2.2
229.04997	14.0
231.08061	4.4
233.06065	1.4
233.07976	4.2
233.09807	3.7
234.06758	7.5
235.07483	5.3
236.08290	7.5
237.09064	4.4
239.06934	7.8
247.07600	5.6
248.08179	1.8
249.07153	2.9
249.09193	4.7
251.10625	9.1
256.07358	3.0
261.07355	12.9
262.05991	3.1
263.06863	2.2
264.07880	3.6
265.08597	3.6
271.09625	18.6
277.08585	6.4
279.10165	7.4
281.08023	2.2
294.08902	1.5
296.10361	5.5
305.08054	2.4
309.11166	4.3
311.12708	1.9
322.08401	1.8
323.09045	1.4
337.10544	4.2
355.08035	1.4
355.11938	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	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
57.03429	0.7
61.02919	1.1
69.03428	2.9
70.70310	0.6
70.70683	0.7
73.02906	0.4
81.03419	1.3
81.09209	0.3
85.02914	7.1
87.04443	0.5
97.02879	2.6
99.04488	0.5
109.02875	0.9
127.03916	1.3
130.06526	8.9
131.04913	0.4
135.04367	0.6
145.04919	0.5
146.06042	0.4
148.07562	0.6
158.06018	11.1
158.07335	0.6
162.05498	0.4
163.03889	3.1
164.07040	1.4
165.68739	0.4
172.07628	0.5
175.08626	0.6
176.07072	100.0
177.07404	1.8
184.05244	0.3
188.07072	1.0
193.09731	25.6
200.07089	0.4
218.08153	1.2
235.10692	0.4
308.11301	0.5
320.11261	0.8
338.12314	3.7
355.14993	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1544
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
50.30027	0.6
53.28351	0.7
55.01868	0.9
55.05516	1.4
56.82682	0.6
67.05501	2.5
69.03422	1.1
69.07062	1.6
69.32996	6.8
70.06588	1.7
78.04721	1.8
79.05511	5.1
81.03435	1.8
81.07066	4.0
84.08097	0.7
85.02899	1.3
86.09662	0.9
89.03900	1.0
91.05473	11.3
93.07030	2.1
95.04992	1.9
95.08591	2.3
97.06580	1.0
98.97613	1.0
103.05470	2.9
104.06235	1.7
105.03412	1.0
105.07039	11.7
106.04171	0.8
107.04973	6.0
107.08604	1.3
109.02908	1.1
109.06510	1.0
109.10165	1.6
110.03625	0.9
111.08057	1.5
115.05463	8.3
116.06192	0.7
117.07027	7.7
118.04214	0.7
119.04960	2.0
119.08595	8.4
121.06533	1.5
121.10173	1.5
122.03663	0.6
123.04421	4.9
124.05214	1.8
127.03918	0.8
128.06213	3.3
129.07014	6.2
130.04141	1.0
131.04909	2.5
132.05702	7.8
133.02861	1.0
133.06502	9.3
133.10202	0.9
135.04407	1.8
137.05983	5.8
137.09541	1.3
141.07002	14.0
143.08546	0.7
145.02907	0.8
145.06467	2.6
145.10100	0.8
146.07245	0.7
147.04454	1.9
147.08055	20.0
147.11639	0.7
151.03889	1.7
151.07585	1.0
152.04678	1.4
156.05769	0.7
157.06496	1.5
157.10017	0.8
158.06032	1.0
158.07298	1.4
159.08080	0.9
160.05222	5.4
161.05997	10.2
163.03889	5.8
163.07585	1.5
165.06975	0.9
167.07051	60.4
169.06499	18.9
170.07329	0.9
173.06027	1.1
173.09598	1.4
175.07561	100.0
177.05453	0.9
179.06966	0.8
186.06830	1.9
187.07576	2.7
189.07123	0.7
189.09164	3.9
191.07034	3.9
193.05013	1.3
193.08621	26.8
201.05461	8.0
201.09109	7.3
203.08644	1.2
206.07251	1.1
207.08237	0.9
218.07378	0.8
234.06773	1.3
248.08246	0.7
250.06206	0.9
259.07736	0.9
262.06210	1.1
263.07486	0.7
263.10629	1.8
265.08670	1.2
277.08594	1.3
290.05560	0.7
290.65567	0.8
291.10129	1.9
294.09052	0.8
298.11160	0.7
305.08212	1.6
309.11136	1.1
322.08588	0.7
323.09192	0.9
323.12714	1.8
325.10773	0.9
337.10535	2.1
337.14523	1.2
338.13977	1.0
355.11633	2.4
355.15372	21.6
374.36667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46164	1.0
50.91854	1.1
51.02392	1.4
55.01881	1.5
55.54611	1.0
57.03424	1.5
65.03942	1.2
67.05498	3.7
69.03420	4.1
69.07063	1.2
70.06599	2.0
71.04995	1.9
71.12399	3.0
72.08154	1.9
73.04758	2.5
74.23850	1.1
79.05491	4.1
81.03416	2.3
81.04536	5.4
81.07037	3.6
83.05000	1.8
84.08137	2.6
85.02909	2.1
86.09693	1.3
91.05459	20.1
92.45171	1.4
93.07036	2.0
95.04980	6.0
97.02882	1.4
97.06512	1.1
98.97569	1.9
105.07014	2.5
107.04971	11.8
107.08587	3.2
109.02843	1.2
109.06503	5.9
115.05471	1.9
116.98595	1.1
117.03393	1.7
117.06998	2.2
119.04955	16.8
119.08588	1.9
121.02866	7.0
121.06564	1.4
122.03642	3.8
123.08040	1.9
125.06054	1.3
127.05046	3.6
128.06267	1.5
129.07018	17.6
130.06519	4.1
131.04929	1.5
131.08495	1.4
133.02885	1.7
133.06497	1.8
133.10109	2.7
135.04428	4.3
135.08035	2.0
136.05197	2.0
137.05978	71.5
143.07269	1.5
144.08052	2.0
145.02855	4.5
145.06488	2.3
146.06050	2.8
147.04408	1.7
147.08058	1.4
149.09622	2.3
150.05510	2.5
151.03876	2.9
151.07552	47.6
154.06467	5.5
155.07298	6.5
156.08089	27.7
157.05260	1.9
158.06038	3.1
158.09613	8.4
160.07634	1.3
161.05974	1.8
163.03914	15.0
167.07155	4.7
168.08055	4.3
170.05986	9.6
172.07605	3.8
173.05977	2.8
175.03906	2.2
175.11145	2.2
176.01041	3.7
176.07033	2.3
177.05499	2.1
181.05006	2.2
183.06786	9.4
184.07581	100.0
186.09128	10.3
187.02122	1.1
187.07423	1.6
191.03384	3.5
191.14304	2.4
193.04979	3.4
193.14847	1.3
196.07544	5.0
200.07095	4.1
201.05501	9.2
214.08624	36.5
215.09093	1.3
217.08586	4.8
219.02887	5.0
219.08044	2.0
226.09001	1.6
231.06479	2.7
233.08194	1.6
234.06900	1.5
237.09215	1.9
248.07945	1.2
260.10687	2.5
263.06851	1.2
276.10178	2.0
280.07224	1.7
280.13168	1.5
281.08087	6.8
283.06015	1.7
285.01047	2.3
288.10220	10.1
289.11078	5.6
290.11288	1.4
292.09790	2.1
294.05234	16.7
297.07556	2.2
305.10742	1.9
308.07187	2.5
308.12808	23.8
309.07605	6.7
309.10599	1.2
319.06082	3.3
320.12811	24.1
323.09201	1.6
337.07080	35.5
337.10797	2.9
338.13858	93.3
355.07919	22.8
355.18585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76688	0.5
53.03950	0.7
55.01871	1.2
55.05504	1.4
55.91844	0.6
65.03931	0.8
67.05504	3.4
68.20856	0.6
69.03416	1.7
69.07062	2.2
69.59838	2.1
69.60242	1.7
70.06596	0.7
73.04737	0.8
77.03944	0.7
79.05489	3.2
81.03424	1.5
81.07054	4.6
83.04958	0.9
84.08152	1.0
85.02913	2.4
85.06559	1.1
89.03909	0.7
91.05441	6.4
93.07059	3.9
95.04965	2.4
95.08620	2.8
97.02879	0.8
97.06517	1.8
98.21535	0.7
98.97572	1.0
99.04447	0.7
100.11228	0.6
103.05468	0.8
105.07026	3.6
106.04145	0.7
107.04951	3.9
107.08583	2.5
109.02857	0.8
109.06505	1.9
109.10162	4.6
110.40948	0.7
111.04465	0.7
111.08060	0.9
115.05470	1.2
117.03445	0.9
117.07037	1.0
119.04947	4.8
119.08571	2.1
121.02869	0.7
121.06518	1.7
121.10136	2.0
122.03658	1.6
123.11692	1.4
124.05206	0.7
125.09657	0.6
127.03893	1.3
129.06992	0.7
130.04169	1.0
131.04935	1.2
131.08582	1.7
133.02867	1.4
133.06564	1.0
133.10124	2.8
135.04442	1.5
135.08110	0.6
135.11668	0.6
137.05977	16.8
137.09589	1.4
139.11188	0.8
139.52313	0.7
143.04849	0.7
144.05649	0.6
145.02820	1.1
145.06467	2.1
145.10109	1.1
146.06068	0.8
147.04428	3.7
147.08047	0.9
147.11684	0.9
149.06006	2.0
150.06795	1.3
151.03922	1.7
151.07564	1.7
156.05687	0.7
158.03659	1.6
158.05899	0.6
159.08014	0.9
160.05244	0.7
160.07585	0.7
161.06035	1.8
161.09529	0.7
162.06772	1.3
163.03886	6.0
163.07506	0.9
165.05525	0.8
165.06898	1.0
167.07031	2.6
171.04556	0.9
171.08046	1.0
173.05942	3.0
173.09583	0.7
173.13312	1.0
175.03931	4.0
175.07605	2.2
175.11195	0.7
177.05498	1.0
177.06956	1.0
178.07793	1.2
179.07060	1.0
180.07782	1.6
186.03166	2.2
189.07050	1.9
191.07047	1.3
193.04933	1.0
193.08620	1.5
193.12320	0.6
193.15868	0.9
194.07274	0.8
201.03697	4.8
201.05441	27.8
203.05357	3.6
203.06973	1.1
205.06671	3.1
205.08345	0.9
206.07220	1.4
207.06398	0.8
207.08171	1.4
214.08583	0.7
217.06671	1.2
217.08574	1.1
218.07224	0.7
219.08069	1.1
220.05179	0.8
221.06023	1.5
222.06851	1.8
223.07469	0.8
231.06520	1.6
233.06001	2.6
234.06831	4.1
235.07553	1.9
237.09073	1.3
238.12880	0.6
239.87363	0.6
245.06149	1.0
247.07549	0.9
249.05531	0.9
249.09238	1.8
250.06349	1.8
251.07059	1.8
252.07870	0.7
262.06241	3.6
263.07117	2.1
265.08600	1.7
266.05835	0.7
266.09344	0.8
267.06595	0.6
269.08093	0.6
273.05701	0.8
277.05777	0.8
277.08554	4.1
279.06464	1.0
280.07333	0.9
281.08047	0.7
285.01007	0.9
290.05811	1.9
292.07190	0.9
293.08109	1.8
294.08914	1.1
295.09650	2.0
295.13171	0.7
297.11298	0.7
305.08099	5.5
307.09683	1.7
308.06738	0.7
309.11057	1.2
312.06015	0.7
313.10605	1.0
322.08243	1.2
323.09140	2.6
325.07291	0.8
325.10822	2.1
327.08124	2.5
327.12244	1.3
337.07315	0.8
337.10721	4.5
338.13910	3.1
340.09055	0.9
355.07837	4.7
355.12061	5.3
355.17288	100.0
356.17755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1731
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05497	1.1
56.96559	0.3
57.03439	0.4
57.07074	0.5
59.29417	0.3
67.05503	0.9
69.03419	1.1
69.07061	1.5
70.06594	0.6
70.84040	1.0
71.04982	0.6
79.05498	1.8
80.77348	0.3
81.03410	0.8
81.07066	2.3
81.58459	0.4
83.04995	0.8
83.08607	0.5
85.02898	0.6
87.99300	0.3
88.20562	0.3
88.82560	0.3
91.05477	1.4
93.07066	2.1
95.04966	1.0
95.08613	1.7
97.06521	1.4
97.10198	0.5
98.97579	1.4
103.05447	0.4
105.07037	1.7
107.04962	4.1
107.08596	1.3
109.02895	0.5
109.06499	0.8
109.10153	1.2
111.08114	0.5
111.65361	0.4
115.05476	0.9
117.07046	0.4
119.04921	0.8
119.08604	1.1
121.02878	0.7
121.10165	0.9
123.04402	0.5
123.11723	0.6
125.09664	0.6
129.06982	0.4
131.08598	0.5
133.06482	0.9
133.10132	0.5
135.04489	0.7
135.08067	0.3
137.06000	3.1
137.09613	0.6
141.07062	0.4
145.06512	0.8
145.10117	0.6
147.04401	1.5
149.05969	0.5
149.13263	0.4
151.03896	0.4
151.07529	0.6
153.05461	0.5
156.05704	0.5
157.06488	0.7
157.10184	0.4
159.11731	0.3
160.07613	0.5
161.06068	0.4
162.70930	0.3
163.03929	1.0
163.07506	0.5
165.06989	0.5
165.09102	0.3
167.07053	1.6
173.05997	1.3
175.03932	1.2
175.07600	0.8
177.05429	1.2
178.07721	0.5
179.08612	0.4
180.07806	0.7
186.03140	0.6
193.04982	0.7
193.08543	0.5
194.07237	0.4
195.07996	0.4
197.06036	0.4
201.05470	3.0
201.09106	0.6
203.06897	0.4
207.08054	0.7
208.08884	0.9
211.07565	1.1
213.05446	1.0
217.08682	1.6
218.07312	0.7
219.08095	1.1
220.05208	0.7
221.06013	0.4
233.09607	0.7
234.06834	1.2
235.07611	1.1
237.05264	0.4
239.07001	0.9
247.07532	0.9
249.05453	0.4
249.09312	0.7
250.15346	0.4
251.06949	0.8
251.10805	0.9
252.07918	0.4
262.06061	0.5
263.06982	0.6
265.08670	0.9
267.10004	0.4
267.13812	0.4
269.08023	0.5
271.09634	1.3
277.08633	0.7
283.09589	0.4
285.00797	0.4
290.05728	0.5
295.09601	0.7
305.08182	0.8
307.09326	0.4
311.12857	0.5
323.08929	0.8
325.10635	0.6
327.12354	0.6
337.10693	1.7
337.14569	1.3
355.08771	2.3
355.17307	100.0
356.17639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.173
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.01866	0.7
55.05505	1.5
56.05019	0.6
56.61656	0.4
56.96550	0.6
58.86794	0.4
65.03913	0.7
67.05502	1.7
69.03431	1.2
69.07066	1.1
69.22325	3.9
69.22733	1.0
70.06593	1.6
71.04987	0.8
72.09996	0.4
73.04747	0.9
79.05488	1.9
81.03427	0.7
81.07054	3.0
82.06586	2.5
83.05009	0.7
83.08614	0.6
84.08151	4.5
85.02900	1.1
86.09715	1.0
91.05433	2.6
93.07059	2.3
95.04972	1.7
95.08625	2.1
96.04462	0.4
97.06520	1.1
98.06052	0.6
98.97608	0.8
100.11261	0.9
103.05468	0.5
105.07044	1.5
107.04952	2.7
107.08604	1.6
109.06539	0.8
109.10158	1.4
111.04434	0.8
111.08126	0.5
115.05459	0.7
117.07010	0.9
119.04944	1.1
119.08580	1.5
121.02893	0.7
121.06515	0.7
121.10138	1.8
122.03711	0.9
123.04459	0.4
123.08081	0.5
123.11714	0.9
124.05253	0.4
125.09666	0.4
128.06189	0.5
128.07045	0.6
129.06969	0.5
130.06487	0.5
131.08575	0.7
133.02849	0.9
133.06535	0.6
133.10109	1.5
135.04454	1.0
135.08057	0.6
135.11690	0.8
137.05989	6.2
137.09656	0.8
139.11241	0.4
143.04980	0.6
145.02846	0.7
145.06493	0.8
145.10136	0.5
146.06003	0.8
147.04436	0.9
147.11707	0.7
149.05959	0.6
151.07497	0.6
157.06523	1.5
158.03716	0.5
158.06020	0.9
160.07645	0.8
161.02861	0.5
163.03934	2.1
163.11156	0.4
167.07053	1.8
169.06517	0.5
173.06006	1.1
175.03938	1.1
175.07539	0.8
177.05518	0.5
177.06943	0.5
177.96971	0.4
178.07820	0.4
180.07893	0.5
181.08466	0.4
182.15419	1.1
193.05054	0.9
201.03716	2.4
201.05511	6.7
203.05275	1.6
205.06534	0.8
206.07278	0.6
210.14941	2.5
217.06734	0.5
217.08636	1.4
219.08020	0.5
222.54607	0.4
225.95201	0.5
228.15965	0.7
234.06763	1.1
235.07526	0.8
237.05594	0.4
245.06041	0.5
247.07677	0.8
250.06316	0.6
262.06256	1.2
263.06860	0.8
266.21097	0.7
277.08655	1.3
293.08060	0.7
294.08728	0.4
305.08069	1.5
309.07642	0.6
319.22644	0.9
323.09323	1.0
327.08469	0.6
336.16354	0.4
336.76123	0.5
337.07181	1.0
337.10791	1.0
337.21286	0.6
338.13898	3.8
338.19678	3.4
355.08536	3.0
355.17300	100.0
356.17712	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	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03952	3.9
55.05299	2.6
55.05513	36.2
57.03437	7.2
57.07058	9.3
57.13956	2.4
59.98368	3.0
63.04044	2.7
65.03960	3.3
67.05513	77.2
69.07073	42.4
70.27987	8.8
71.08621	6.9
79.05508	28.8
79.84277	2.6
81.07063	100.0
83.04970	3.2
83.08622	25.8
85.06561	4.3
91.05479	20.7
93.07043	32.7
95.08613	84.9
97.06507	8.0
97.10164	16.9
99.08053	3.2
105.07028	16.5
107.08598	25.0
109.06533	3.2
109.10174	44.5
111.11730	7.3
118.10242	2.8
119.08595	16.3
121.10146	26.3
123.11729	22.4
133.10120	20.6
135.11729	17.2
137.13255	6.4
145.10100	4.8
147.11664	12.6
149.13243	10.6
151.11163	3.8
151.14810	6.1
152.96957	3.1
157.10182	2.9
161.13258	17.7
163.14865	13.7
164.72623	3.1
165.16397	5.4
175.11215	3.1
175.14871	13.3
179.17973	4.2
189.16397	4.3
190.96602	2.8
245.22649	43.3
263.23721	48.2
337.27423	23.1
355.28476	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	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.2
57.03418	5.8
57.07080	13.0
60.25281	2.0
67.05509	79.7
69.06718	1.9
69.07072	38.7
71.05001	2.7
71.08626	4.0
79.05499	34.6
81.07063	100.0
83.04449	1.7
83.04978	2.8
83.08630	26.5
85.06526	3.1
85.10129	1.7
86.30359	2.0
91.05478	20.1
93.07053	31.9
95.04958	2.9
95.08612	82.5
97.06516	9.6
97.10173	16.4
99.08072	2.0
105.07036	20.3
107.08599	20.2
108.32228	2.0
109.10162	42.8
111.08113	4.1
111.11734	5.0
113.09663	2.1
119.08580	18.9
121.10149	26.8
123.11730	15.7
125.09655	1.8
126.74768	1.9
127.11217	2.3
131.08563	2.9
133.10143	14.5
135.11702	11.8
137.09676	2.2
137.13228	7.2
145.31526	1.9
147.11699	10.5
149.13232	11.2
151.14813	6.9
161.13257	12.1
163.14789	9.3
165.12721	1.8
165.16444	3.8
167.14330	2.7
175.14799	5.6
179.18030	2.3
181.15825	2.0
189.16338	4.1
245.22612	34.2
263.23715	33.8
275.24121	1.8
337.27322	15.1
355.28217	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03928	2.9
55.01871	2.9
55.05258	2.0
55.05512	31.1
56.02977	1.6
57.03440	7.7
57.07076	11.0
65.03945	3.6
67.05507	83.0
69.07069	40.5
71.04993	3.5
71.08630	7.3
71.11338	2.5
75.04510	1.3
79.05495	31.2
80.75100	1.6
81.07059	100.0
83.04971	3.1
83.08624	30.3
85.06533	3.1
85.10182	3.4
91.05469	17.0
93.07048	30.6
95.04977	3.3
95.08607	79.5
97.06535	8.3
97.10171	21.5
99.08057	2.4
105.07044	17.4
107.08602	23.7
109.10160	39.7
111.08061	6.9
111.11729	8.7
119.08602	15.3
121.10143	30.3
123.08077	2.2
123.11710	24.1
125.09647	1.9
129.05444	1.8
133.10147	20.9
135.11710	19.2
137.09593	2.9
137.13242	6.5
147.11691	13.5
149.13235	12.9
151.14803	7.1
161.13246	15.8
163.14833	14.7
165.16412	5.4
165.73705	1.5
175.14784	9.7
177.16418	2.6
179.14339	3.2
179.17856	4.0
189.16389	4.3
203.17981	2.4
217.19531	1.7
229.07378	1.5
245.22672	50.5
245.25235	2.6
247.24113	2.5
254.79659	1.6
263.23712	43.3
265.25415	1.6
328.82681	1.5
337.27380	28.3
355.28406	6.4
356.35226	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01882	3.4
55.05293	2.5
55.05516	30.3
57.03422	8.7
57.07078	14.2
61.36772	2.7
67.05509	84.6
69.07069	48.5
70.27536	6.7
71.04986	2.3
71.08615	5.4
79.05492	28.3
81.07059	100.0
83.04976	2.7
83.08630	25.5
85.06529	4.2
91.05495	17.7
93.07051	31.1
95.08609	90.1
97.06528	12.2
97.10181	17.4
99.08118	4.5
105.07007	15.5
107.08584	20.6
109.10163	47.0
111.08053	5.0
111.11703	8.3
111.57661	2.3
119.08582	16.0
120.79294	2.3
121.10155	29.8
123.11703	26.1
125.09635	2.4
125.13230	2.4
133.10129	19.5
135.11690	18.6
137.09692	2.8
137.13222	9.3
137.88002	2.4
141.12643	2.6
147.11723	14.0
149.13318	14.6
151.14799	7.1
161.13258	15.7
163.14816	16.7
165.16374	5.7
175.14864	11.2
179.17967	6.7
189.16354	5.5
229.07454	7.6
230.07701	2.8
245.22655	52.6
263.23718	45.8
337.27350	25.7
355.28436	5.4
356.35297	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03934	3.0
55.01864	1.8
55.05513	32.9
56.96561	3.0
57.03442	8.8
57.07077	12.9
65.03931	2.4
67.05508	80.7
68.05843	1.2
69.07070	45.2
70.06587	2.1
71.04986	3.1
71.08640	6.7
71.60320	1.2
76.49415	0.9
79.05051	1.5
79.05496	27.5
81.07059	100.0
83.04973	2.3
83.08622	31.9
85.06539	4.1
85.10162	3.7
88.07629	2.5
91.05473	18.8
93.07051	32.7
95.04977	2.4
95.08609	85.7
97.06541	11.7
97.10175	19.0
98.97514	1.0
99.08082	2.7
103.03941	2.2
105.07031	15.7
107.08596	25.5
107.24297	1.1
109.06489	1.0
109.10158	43.7
110.97559	2.3
111.08073	4.9
111.11709	6.8
113.09650	2.7
117.07053	1.0
119.08586	18.5
121.09303	1.9
121.10148	29.6
123.08086	3.0
123.11715	24.4
125.09646	3.7
125.13272	2.7
127.11196	0.9
128.98593	1.0
129.05469	3.2
129.33757	1.2
131.08571	2.1
133.10143	21.3
135.10681	1.2
135.11688	17.3
137.09610	3.6
137.13245	8.4
139.11166	2.1
141.12762	2.6
145.10080	1.3
147.11684	15.5
149.13260	15.3
151.11182	2.5
151.14813	7.8
153.12784	1.3
159.11655	1.1
161.13255	16.1
163.14822	14.4
165.12711	2.5
165.16391	5.9
167.14291	1.5
169.10152	0.9
175.14818	12.0
177.16405	3.2
179.14299	2.7
179.17923	3.9
181.15746	2.6
189.16362	5.5
193.15895	1.2
194.53827	0.9
203.18037	1.7
207.17467	1.3
217.19551	2.3
221.19077	1.0
245.22668	45.9
245.99899	1.0
247.24193	1.2
263.23730	45.8
265.25217	2.2
281.24884	1.7
295.60638	1.0
305.11926	1.3
315.16385	5.7
333.17334	8.7
337.27368	26.9
351.18524	2.5
355.16241	3.0
355.22369	1.4
355.28354	7.1
355.33972	15.2
356.19125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
56.96570	39.1
57.07041	0.6
58.86314	0.7
65.95014	0.7
67.05516	1.5
69.07064	1.0
69.81476	3.8
70.06603	1.2
71.49411	0.9
71.95272	7.9
72.96049	1.7
74.97598	2.0
81.07057	1.8
84.96033	3.0
87.72018	0.7
91.17635	0.7
93.07025	1.2
95.08604	1.7
97.96790	4.1
98.97589	1.5
105.00177	1.1
105.07032	1.0
108.41768	0.7
110.62720	0.7
110.97581	14.4
115.97842	1.7
116.98615	1.2
119.01736	1.2
119.08610	1.3
123.01173	1.8
124.99158	0.7
128.97673	1.2
128.98615	16.9
133.10184	1.0
137.02763	1.8
143.00171	2.4
146.99658	10.6
147.70692	0.7
152.00183	1.1
153.02252	0.7
155.03818	1.3
161.01230	2.7
167.03822	1.0
169.01706	1.0
171.03307	2.4
173.02908	0.9
175.02858	1.0
179.02359	0.8
185.04849	1.9
189.04362	2.8
203.05913	1.7
207.11470	0.7
213.07912	1.0
219.09041	0.9
225.07884	1.2
227.09612	1.5
237.10126	0.9
241.11107	2.4
245.08510	0.9
245.10739	1.1
252.10376	1.0
259.12210	2.0
263.09570	2.7
265.11179	1.0
277.11176	2.6
291.12564	0.9
303.12683	4.0
313.14532	1.7
315.16318	58.4
316.16489	1.1
331.15839	5.3
333.17389	100.0
334.17792	2.5
347.19193	1.0
351.18472	22.2
356.19003	18.9
356.22772	0.7
356.34302	5.0
357.19678	1.8
357.24039	0.7
374.19928	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	14.8
56.81266	11.5
56.96561	34.3
62.06087	29.4
63.75694	10.0
67.05502	22.1
67.74522	12.2
69.07055	16.1
69.46174	100.0
79.05486	15.0
81.03415	14.6
81.07065	33.6
91.05476	21.1
93.07025	14.5
93.53107	10.1
95.04975	14.0
95.08583	20.7
97.02925	16.9
107.04973	29.6
107.08601	15.9
119.08603	17.6
119.70475	12.8
121.10193	15.5
147.11768	13.8
161.06003	14.9
167.07043	22.0
171.08040	28.5
177.39331	11.5
189.85519	12.7
203.10667	33.4
238.07933	11.6
247.08606	16.4
320.25879	18.6
356.26294	28.3
357.16837	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	357.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56749	0.8
55.01872	1.1
55.05505	1.0
62.25861	1.0
67.05497	2.3
69.03415	2.8
69.07069	2.0
69.61805	2.3
69.62238	3.6
70.06586	1.0
79.05481	2.3
81.03412	2.9
81.07039	1.7
83.04994	1.6
84.08132	1.6
85.02908	2.0
86.09682	1.3
91.05484	3.3
93.07011	1.8
95.08624	1.2
97.02875	1.6
97.06573	0.9
98.20824	1.6
103.05509	1.0
105.07003	0.9
107.04955	1.2
107.08618	1.1
109.02872	2.1
109.10145	1.4
111.05573	0.8
121.10178	0.8
127.03910	3.0
133.10162	1.1
153.05447	2.1
167.03355	2.7
177.05484	1.1
227.05267	2.1
235.07530	1.0
243.04915	2.0
245.06279	4.6
271.04294	2.1
271.11493	3.9
280.02194	0.8
281.08109	1.0
287.03741	3.2
289.05255	12.3
313.12582	27.5
325.10825	1.2
339.19479	1.4
357.11560	100.0
358.11871	1.8
381.03830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Juglanin A
Peak:m/z	Relative Intensity
53.03940	3.1
55.01872	3.2
55.05508	1.8
56.96570	5.1
58.68118	1.3
61.02936	1.7
64.52800	1.3
65.03940	1.2
67.05507	4.4
69.03430	2.8
69.07078	1.7
71.05000	1.6
71.60876	1.7
78.04707	1.5
79.05505	11.4
81.03430	3.2
81.07061	6.0
83.08622	1.8
85.02902	1.8
91.05475	14.2
93.07066	7.7
93.41972	1.6
95.05016	3.1
95.08591	4.3
97.02919	2.0
98.97572	2.7
103.05486	6.9
105.07037	19.2
107.04973	21.0
107.08600	2.2
107.35069	1.3
109.02895	3.2
109.06586	1.9
109.10160	1.8
111.04480	1.5
115.05459	8.4
117.06992	8.3
119.04937	1.5
119.08615	2.8
121.06533	11.5
121.10158	2.6
123.04433	3.9
124.05257	2.1
127.03919	3.2
128.06230	21.4
129.07034	3.2
130.93344	1.8
131.04935	3.3
131.08592	3.2
133.06531	9.7
133.10175	2.4
135.04488	1.8
135.08093	2.3
137.05977	9.0
141.05212	1.6
141.07051	2.5
142.07809	1.9
143.08583	29.9
144.82033	1.5
145.06490	13.6
145.10161	2.2
146.07256	9.6
147.04410	3.8
147.08089	2.1
149.05969	3.7
151.03935	2.2
151.07579	4.0
153.05455	4.3
153.06860	1.7
155.06064	3.2
157.10056	2.2
159.08124	2.0
160.05183	1.8
160.08832	2.5
161.06032	9.9
161.09673	10.1
162.06789	3.7
163.03905	6.7
163.07533	8.4
165.09155	1.8
166.06259	2.7
167.07060	26.4
171.08073	31.0
172.08690	2.1
173.06009	6.4
173.09641	2.3
174.06816	2.2
175.07539	9.0
175.11166	3.2
177.09161	5.9
178.06247	11.9
181.08621	22.8
187.07587	7.3
188.08342	49.0
189.09064	4.1
193.08623	17.3
195.10103	3.0
203.10689	100.0
213.07999	1.5
217.12128	1.7
233.09607	2.5
233.11839	2.0
235.07703	1.4
243.09091	2.5
247.08661	3.3
250.09920	2.0
253.08603	1.9
261.09595	1.4
265.12296	1.7
269.10806	4.1
293.11945	1.6
313.10837	3.2
315.19098	1.9
325.14307	3.1
328.13220	2.1
357.13663	1.4
357.16962	11.7
357.23911	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	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84033	0.3
53.03936	1.0
55.01871	0.8
55.05508	1.2
56.96555	0.9
57.03438	0.6
67.05494	1.1
68.72361	0.4
69.03427	2.6
69.07056	0.9
69.87708	1.8
69.89387	0.4
70.06586	0.7
71.04977	1.1
77.61342	0.3
79.05488	1.3
81.03413	3.1
81.07067	2.1
83.04987	1.1
83.08600	0.4
84.04484	0.8
85.02904	1.6
85.06551	0.8
89.03899	0.4
91.05499	1.5
93.07048	2.4
95.04964	1.5
95.08597	2.0
97.02911	0.9
97.06538	0.9
98.97570	0.7
99.04473	1.1
100.10951	0.4
103.05435	1.1
105.07027	1.6
107.04954	1.7
107.08596	1.0
109.02902	3.6
109.06525	1.2
109.10136	1.5
111.08077	0.7
115.05435	0.5
117.06991	1.1
119.04953	0.7
119.08582	1.3
121.02846	0.6
121.06514	0.7
121.10175	1.0
122.03690	0.5
123.04366	0.5
123.11703	0.8
127.03915	3.3
131.04915	0.9
133.06415	0.4
133.10143	0.6
135.11688	0.8
137.05975	3.9
137.09634	0.5
140.94514	0.4
143.08499	0.6
145.02852	0.8
145.06499	0.7
145.10106	0.6
147.04460	0.8
147.11723	0.5
149.05995	0.5
149.13219	0.5
151.03946	1.1
151.07529	0.7
153.05495	0.5
159.11725	0.5
161.05959	0.7
163.03990	0.4
167.03479	0.5
167.07088	2.6
169.04907	0.4
173.06042	0.4
177.05504	1.2
181.05008	0.9
181.08545	0.6
203.07082	0.5
203.10759	0.6
204.06519	0.7
207.08044	0.7
219.08083	0.6
222.06683	0.6
237.08929	0.4
247.07465	0.6
253.08856	0.5
254.21236	0.8
265.08624	0.7
269.11789	0.5
279.10175	0.5
281.08179	0.4
297.53271	0.4
307.09702	0.8
313.10385	0.5
314.17584	0.7
321.18304	0.4
325.10684	1.0
327.12106	0.5
339.12329	0.6
342.10959	0.4
357.13907	3.4
357.18839	100.0
358.19409	1.7
368.29980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05254	2.7
55.05511	36.0
57.03431	5.3
57.07075	25.5
67.05508	41.6
68.84435	1.9
69.07074	57.2
69.83656	10.3
70.06606	10.6
70.07387	2.1
71.06890	3.1
71.08627	14.4
74.11611	1.9
75.04466	2.2
79.05498	29.4
81.07059	55.7
83.04974	3.6
83.08625	39.9
85.10172	9.4
88.07638	13.0
91.05456	6.5
93.07043	40.2
95.04971	3.8
95.08612	50.8
95.91490	2.0
97.06542	18.3
97.10168	26.0
102.09187	4.2
103.03931	3.5
105.07035	5.1
106.08673	5.5
107.08583	29.2
109.10162	26.5
111.08054	6.3
111.11712	8.3
119.08596	5.0
121.09301	3.2
121.10152	51.6
123.11713	10.5
125.09635	4.3
129.06969	2.6
133.10127	3.6
135.11699	44.7
136.96320	1.9
137.13264	3.6
139.11143	6.8
142.51772	2.0
145.10136	2.7
147.20987	2.1
149.13242	17.9
151.14787	5.0
153.12714	2.2
161.13254	2.7
163.14816	6.0
165.16397	7.3
167.14221	2.3
171.11681	2.3
177.16402	4.2
191.17932	5.0
225.72488	2.0
247.24234	43.3
265.25275	37.3
274.90900	2.2
307.26163	3.3
339.29050	21.8
339.34570	6.0
357.24164	5.5
357.28448	3.7
357.35553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.35016	2.1
53.03956	4.0
55.01855	3.4
55.05256	4.9
55.05513	58.0
57.03423	14.3
57.06823	2.9
57.07079	44.2
67.05166	3.7
67.05509	69.8
69.07072	100.0
70.06593	7.4
71.04986	3.5
71.08328	2.2
71.08640	24.9
75.04475	2.9
75.07462	2.3
78.50742	2.2
79.05497	43.0
81.07064	81.7
83.08624	57.7
85.10175	12.8
88.07618	6.0
90.05558	5.0
91.05440	5.8
93.07050	51.8
95.04962	2.3
95.08614	74.6
97.06536	29.0
97.10175	44.7
99.08081	2.9
103.03970	4.1
105.06989	3.5
107.08595	49.0
109.10162	45.9
111.08087	11.4
111.11710	15.4
115.07588	3.2
121.09293	4.9
121.10149	80.3
123.11717	15.2
125.09617	7.3
125.13281	3.9
129.05528	2.6
135.11703	61.7
137.13246	7.1
139.11166	7.5
143.14270	2.3
149.13269	29.4
151.14816	7.8
153.12828	2.8
163.14864	12.0
165.16388	9.7
177.16364	10.6
181.16017	2.7
181.42149	2.3
190.86987	2.4
191.17961	5.9
195.17560	2.4
211.20692	2.8
247.21799	4.3
247.24232	62.9
265.25259	56.1
266.13336	2.6
283.26221	2.8
307.33182	2.9
335.20407	3.2
339.28983	43.7
339.34778	2.7
357.26157	21.5
357.30249	4.3
357.35547	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.84968	3.9
53.03948	3.8
55.05515	65.9
57.03429	12.8
57.07077	36.1
67.05508	88.4
69.03435	3.9
69.06717	6.6
69.07072	99.8
70.06592	9.8
70.63226	9.0
70.63559	6.2
71.04970	4.9
71.08642	26.4
72.08157	5.3
79.05496	51.3
81.07062	98.0
83.08624	76.4
85.10177	11.0
88.07608	10.0
91.05452	6.8
93.07050	64.7
95.08611	100.0
97.06541	30.0
97.10181	46.0
103.03937	7.0
105.07031	10.0
107.08585	56.6
107.70045	4.5
109.10162	41.9
111.08083	12.6
111.11691	13.5
119.08624	7.8
121.10148	81.4
123.11700	16.0
125.09641	8.4
129.09116	4.1
131.08566	5.5
135.11702	67.8
137.13289	9.0
139.11221	4.8
145.10117	5.0
149.13269	33.1
151.07475	4.3
151.14781	11.1
153.12756	6.0
157.10071	4.7
159.11633	6.6
163.14838	13.1
165.16377	9.3
165.48378	3.4
177.12682	3.7
177.16393	7.8
191.17947	7.1
247.24236	82.6
265.25272	67.3
283.26398	4.8
285.85788	4.0
339.29010	42.6
355.14996	4.5
357.23917	4.4
357.27994	5.7
357.35522	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	359.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05506	2.0
67.05489	1.9
69.03412	1.6
69.07054	2.0
69.47422	7.7
72.08163	1.3
79.05505	1.9
81.07039	2.6
82.24319	0.9
83.04958	0.9
84.08132	1.7
85.02932	1.3
86.09709	9.4
87.10033	2.3
91.05473	2.5
93.07029	1.9
95.04971	1.8
95.08595	2.3
98.97584	1.8
105.07038	1.4
107.04953	1.0
107.08589	2.1
109.02876	1.4
109.10192	1.0
119.04962	1.5
121.06539	1.0
125.09686	1.1
127.25894	0.9
131.04956	0.9
133.10135	1.5
137.05984	3.8
145.06459	1.0
147.04391	1.6
147.08220	0.9
149.05966	2.2
149.09616	1.6
151.03900	1.2
151.07594	1.4
151.11227	1.3
153.05482	1.7
161.05988	2.0
163.03967	1.2
167.07082	2.7
177.05498	1.9
179.10603	0.9
181.05016	1.4
181.06551	1.0
197.11679	2.1
199.18033	1.2
200.18356	1.2
242.87474	1.0
269.13821	1.1
271.04150	1.4
299.05573	2.0
299.09039	2.1
313.07056	3.1
315.14172	18.3
329.10059	1.4
341.06558	2.7
341.10257	2.3
341.13843	1.0
359.13132	100.0
360.13461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00193	0.6
55.01865	1.1
55.83377	0.7
57.03434	0.9
61.02922	1.5
65.58694	0.6
67.05479	0.7
68.07105	0.6
69.03436	3.7
70.06573	0.8
71.16892	1.3
79.05488	2.4
79.93622	0.6
80.33493	0.6
81.03397	1.3
81.07035	2.6
84.08121	0.7
85.02420	0.8
85.02906	9.4
86.09701	2.8
86.89410	0.6
91.05483	3.7
93.07044	6.5
95.04916	0.7
95.08591	1.8
97.02895	2.0
105.07050	6.8
107.08601	31.7
109.02853	1.4
109.06532	1.4
109.10172	2.0
117.07005	0.7
119.04942	1.1
119.08566	5.0
121.06534	0.7
121.10147	4.6
123.11699	1.5
127.03941	1.7
133.10139	19.4
137.05933	2.0
139.07573	1.0
143.08563	1.2
145.05038	0.7
149.09671	3.3
151.07574	1.4
151.11176	7.6
161.09605	5.0
167.07013	0.9
167.10681	12.3
179.10669	15.5
182.60489	0.6
184.09488	0.6
188.13785	0.7
188.92184	0.7
197.11737	100.0
198.12036	1.6
265.08588	0.7
313.07089	1.6
359.11386	1.3
359.16782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03947	1.6
55.05521	0.7
57.03425	1.5
58.06586	1.0
58.54839	0.7
59.04990	0.6
61.02928	3.0
67.05511	1.7
69.03432	6.3
69.07072	1.1
69.64934	4.9
70.06593	2.1
71.04984	0.8
72.04507	1.0
72.08173	0.7
73.02934	1.1
74.06081	1.1
79.05485	2.1
79.92605	0.6
81.03430	3.7
81.07052	2.5
85.02911	28.5
86.06071	1.1
86.09722	4.1
87.04485	1.1
91.03938	0.7
91.05488	6.7
93.07059	8.2
95.04957	2.1
95.08599	0.8
97.02896	7.1
99.04432	1.3
105.07030	8.5
107.04945	1.2
107.08600	20.9
109.02875	2.8
109.06505	1.3
109.10149	1.8
119.05019	0.7
119.08568	2.9
121.06558	3.3
123.04445	1.0
127.03921	4.4
133.10139	23.2
135.07935	0.9
135.11711	20.0
137.05992	2.0
137.09637	1.4
143.08406	0.8
145.04961	3.3
151.11215	1.9
161.09637	10.5
179.10687	38.4
197.11746	100.0
198.12080	1.3
213.07794	1.6
228.13512	1.5
229.97861	0.8
279.10034	0.7
299.32520	0.7
323.23923	1.1
342.26410	1.5
359.11444	0.9
359.16476	1.2
359.26453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89614	2.4
52.12075	2.6
53.03936	4.0
55.05512	100.0
66.18116	2.4
67.05489	9.8
69.07053	7.0
69.96181	2.3
70.06161	2.4
70.06576	2.8
71.60065	2.7
72.08142	6.0
79.05495	16.9
81.07065	15.9
83.08145	3.0
83.08624	51.2
91.05470	8.3
93.07047	25.0
95.04975	2.7
95.08609	14.6
105.07013	8.5
107.08608	14.8
109.10152	6.9
109.52134	2.5
112.74131	2.5
117.07006	3.0
119.08577	9.3
121.10156	12.9
123.11667	5.6
133.10100	8.0
135.11716	14.3
147.11674	4.7
149.13266	6.4
152.16650	2.6
157.10274	2.8
161.13237	5.2
163.11195	2.4
213.78157	2.3
257.19153	2.6
277.21503	19.4
359.29388	14.4
359.36954	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	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
56.96565	1.4
58.06606	4.5
67.05496	1.6
69.07060	1.3
70.06602	1.0
70.56692	0.9
70.57032	0.9
72.04519	5.0
81.07047	1.7
83.08641	0.6
86.06072	7.6
91.05480	1.6
91.59636	0.5
93.07058	1.1
95.04957	0.8
95.08602	1.4
97.06519	0.8
98.97578	1.3
105.07032	0.9
107.04962	0.6
107.08584	0.6
109.02812	0.7
109.10149	0.6
109.43000	0.5
109.89674	0.6
121.06522	0.6
137.06000	0.6
176.14392	0.7
187.23528	0.6
193.97664	0.6
216.08144	4.0
217.08922	1.2
220.07533	1.2
223.78128	0.5
241.08813	0.7
242.08356	1.6
243.09201	16.8
267.09250	1.4
268.09970	1.0
324.25378	6.6
331.12064	1.1
332.12802	1.7
333.13785	1.8
342.11469	1.3
342.26605	4.5
343.12369	10.2
344.12170	1.9
345.12628	2.0
358.13446	5.1
359.14130	1.6
360.14984	100.0
361.15390	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.1
56.05035	4.6
56.96554	1.3
67.05506	2.3
69.03441	1.7
69.07070	4.8
70.06596	15.3
71.59689	0.9
72.08160	100.0
73.08482	4.0
74.06084	21.9
79.05477	1.6
81.03396	2.4
81.07047	2.8
83.04982	1.3
83.06095	2.1
84.04509	37.1
84.08143	2.7
85.02917	4.4
86.09710	79.4
87.10033	1.9
88.03945	1.1
91.05480	5.0
93.07047	3.0
94.06588	1.1
95.04939	1.2
95.08564	1.1
96.04460	1.0
97.02890	1.8
97.06547	1.1
98.06017	0.8
98.97622	2.1
102.05544	21.0
105.07037	1.4
107.08588	1.7
109.02861	2.3
109.10184	1.6
110.06002	1.3
110.09721	1.4
115.49133	0.9
116.07117	2.1
117.10242	3.4
118.08648	6.3
118.10612	1.2
119.04908	2.5
119.08546	1.5
120.08099	2.8
124.07605	3.3
127.03933	1.5
129.10211	1.2
130.06468	1.2
130.08662	1.6
132.10211	45.7
137.05988	1.5
137.09500	1.0
138.09143	11.7
143.18761	0.9
147.04427	1.8
148.06013	0.9
150.44241	0.9
152.07021	1.3
155.11829	2.6
156.10201	8.5
158.06052	0.9
163.03859	0.9
167.06975	1.5
170.11745	1.0
175.03954	3.0
177.30579	1.1
183.11302	38.5
185.16484	3.7
197.12886	3.9
198.11244	2.2
201.12357	40.0
207.06516	4.2
211.10815	10.4
212.11229	1.0
213.15973	1.9
215.13878	8.6
225.12198	1.0
228.13452	2.6
229.11810	11.0
229.13835	3.2
231.17052	1.7
235.85854	0.9
243.13341	5.1
243.15483	1.5
247.12875	1.3
261.16238	1.2
266.03400	0.9
286.09824	1.5
292.13654	1.2
342.26385	4.1
345.10504	1.1
360.09903	11.3
360.17142	7.5
360.27472	18.6
361.13428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01868	13.3
55.05520	62.1
56.96567	6.2
57.03433	7.8
59.04997	23.6
67.05163	6.8
67.05509	100.0
69.03436	11.6
69.07073	85.1
69.42303	48.1
70.06612	7.4
71.05006	79.8
79.05497	90.0
80.61890	5.4
81.03430	14.2
81.07071	58.8
82.56531	6.3
83.05004	10.7
83.08626	35.5
85.06568	9.1
87.08113	6.1
91.05486	44.8
93.07054	71.8
95.04976	15.2
95.08620	44.5
97.06532	33.6
97.10174	44.0
105.07037	35.2
107.08611	49.4
109.06522	18.5
109.10177	48.5
111.08067	11.3
115.07568	13.6
119.08588	22.9
121.06515	6.8
121.10164	54.0
123.08083	8.0
123.11690	5.8
125.09669	34.9
131.08566	11.6
133.10114	11.0
135.08078	9.5
135.11713	7.8
137.09615	6.3
145.10135	15.5
147.11751	7.6
149.09656	13.2
153.12738	36.5
154.72739	5.8
155.10674	20.2
157.10228	5.6
158.23790	5.2
159.11707	9.8
161.13150	8.9
165.66643	5.6
173.11757	88.9
189.11259	27.8
223.13261	6.4
259.47672	5.8
275.20221	33.2
320.15012	5.8
360.14972	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	9.2
55.01862	14.2
55.05511	81.5
55.32390	6.9
56.96542	10.1
57.03435	15.2
59.04983	29.8
67.05506	100.0
69.03417	12.8
69.07076	67.6
70.06583	21.9
70.50154	28.9
71.04418	7.8
71.04997	75.0
73.02934	8.0
77.93380	7.0
78.44682	7.3
79.05496	81.9
81.03405	23.1
81.07074	67.4
83.04966	10.8
83.08613	32.0
84.08142	10.7
85.02880	12.2
91.05469	37.3
93.07053	66.8
95.04956	26.1
95.08602	27.6
97.06541	40.1
97.10191	51.8
98.97599	12.1
103.05421	9.3
105.07037	30.3
106.02786	6.9
107.08601	71.8
108.08882	7.0
109.02829	8.8
109.06483	9.7
109.10146	37.3
111.08100	9.8
115.07552	28.8
117.06998	10.3
119.08576	29.1
121.06517	9.4
121.10138	48.5
123.11745	10.2
125.09612	38.1
131.08553	14.7
133.10100	14.6
135.08022	13.0
135.11685	9.2
137.06061	10.9
143.08568	6.9
145.10075	8.6
147.11707	13.5
149.09540	13.9
153.12793	14.2
155.10628	12.9
173.11736	40.7
187.11148	8.1
189.11267	24.7
200.56535	8.9
223.13188	10.9
237.14771	14.0
243.09358	7.8
273.18829	7.8
275.20090	31.9
361.23563	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62426	7.4
50.83689	6.2
53.03928	7.9
55.01880	10.7
55.05521	57.2
59.05001	21.0
60.44321	6.2
67.05161	9.4
67.05506	100.0
69.03427	10.1
69.07075	76.3
71.04998	83.1
71.19648	13.3
79.05487	90.2
81.07056	67.5
83.04996	9.1
83.08610	29.8
91.05481	38.7
93.07049	85.5
93.34588	7.0
95.04958	15.8
95.08611	37.1
97.06525	31.8
97.10175	48.1
105.07048	38.0
107.04923	10.8
107.08610	65.6
109.06490	12.5
109.10174	64.6
111.37926	6.9
119.08607	23.3
121.10157	88.5
123.11698	13.0
125.09620	25.9
129.07018	9.7
133.10118	19.7
137.18221	7.1
145.10136	9.2
149.09595	13.2
153.12750	39.6
155.10669	30.3
171.11699	7.4
173.11760	84.5
189.11211	33.6
196.34921	8.8
275.20139	41.3
360.14966	9.8
370.72458	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70348	7.5
53.03951	11.4
55.05523	47.8
55.39757	7.6
56.96569	12.6
57.03437	8.8
57.07091	8.8
58.27833	9.7
67.05515	87.3
69.07071	35.3
71.05003	76.5
71.34722	15.7
79.05505	87.2
80.41469	7.6
81.07071	54.4
83.08627	34.6
91.05490	48.4
93.07056	97.8
95.04980	17.0
95.08611	42.4
97.06555	14.5
97.10187	34.2
99.47016	9.5
105.07063	27.0
107.08601	69.7
109.06542	11.5
109.10175	83.9
117.07043	9.6
118.96374	9.0
119.08615	22.2
121.10158	93.5
125.09619	25.6
133.10153	20.7
143.08615	10.3
145.10100	17.2
147.11673	20.4
149.09688	17.9
153.12730	27.0
155.10667	13.4
159.11700	14.6
173.11777	100.0
189.11266	23.5
195.71783	8.6
196.91956	8.3
207.50658	8.3
214.76910	9.9
257.18985	14.0
275.19995	48.2
277.80963	8.8
360.15076	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	360.2746
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
52.05415	0.4
53.03952	0.6
55.01879	2.0
55.05514	3.1
55.67119	0.4
56.05042	5.3
56.96566	0.7
57.03449	1.3
58.06606	1.7
61.27414	0.5
66.88794	0.5
67.05514	2.9
68.02688	0.4
69.03415	0.5
69.07072	4.2
70.06602	4.8
70.94032	1.1
71.05006	0.8
72.04517	1.3
74.06087	100.0
74.81405	0.5
79.05486	3.3
80.79202	0.4
81.03430	1.6
81.07069	3.8
82.06587	0.6
83.04987	1.2
83.08640	2.8
84.08137	0.8
84.48549	0.5
85.02913	1.3
85.06554	0.4
86.06064	1.3
88.07646	1.9
91.05489	2.9
93.07041	4.2
94.06590	1.4
95.04988	1.6
95.08611	2.6
96.08114	0.6
97.06541	1.7
98.06109	0.9
98.97549	1.2
100.07614	0.5
105.07048	2.6
107.04958	0.6
107.08607	2.9
108.08156	1.0
109.02944	0.5
109.06504	0.8
109.10174	1.3
111.08112	0.9
117.07056	0.8
117.81470	0.5
119.08582	2.4
120.08152	0.6
121.10187	1.7
123.08120	0.6
125.09637	3.4
130.08630	0.5
131.08575	1.6
133.10156	1.9
135.11732	1.0
139.11229	0.6
144.41606	0.6
145.10170	1.7
147.08086	0.5
147.11688	1.1
149.09718	0.6
159.11694	0.6
162.16916	0.5
167.07051	0.8
201.16347	0.7
238.66272	0.5
240.04552	0.5
247.88231	0.7
288.23178	0.9
294.24335	1.0
306.24280	3.2
324.25333	9.3
340.15067	0.5
342.26434	22.5
360.27481	93.6
361.27863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.92767	0.5
55.05520	3.6
55.42152	0.3
56.05033	2.4
56.96573	0.6
57.03426	0.4
57.06821	0.4
57.07078	5.0
58.06330	0.6
58.06601	8.1
59.03754	2.8
60.04523	4.1
67.05505	4.8
68.05022	0.7
69.07069	4.3
69.51850	1.1
69.52274	1.8
70.06585	3.7
71.08634	3.0
72.04517	19.4
72.08147	1.0
74.06081	27.4
79.05489	1.5
81.07053	5.7
82.06583	1.1
83.08602	2.8
84.08138	0.9
85.10175	1.2
86.06066	22.8
88.07630	1.1
90.05561	13.0
91.05479	0.5
93.07021	1.4
94.06596	1.0
95.04958	0.5
95.08617	6.1
96.08160	1.0
97.10165	1.8
98.06036	1.6
100.07604	1.8
101.04174	0.4
102.05542	1.4
104.07115	1.2
105.07000	0.6
107.08598	0.7
108.08130	0.4
109.10144	1.9
112.07642	0.4
119.08571	0.5
120.06538	0.4
121.10140	0.6
123.11683	0.8
130.08646	1.0
135.11627	0.5
254.28386	1.1
266.28622	0.6
269.09344	0.4
280.29944	0.4
282.27930	3.2
294.27991	1.7
299.50836	0.4
299.54431	0.5
301.20114	0.7
312.28992	4.4
319.21307	2.0
330.30099	3.3
337.18951	0.8
337.22467	1.0
342.30042	0.6
342.33762	0.8
360.31067	100.0
360.34436	4.7
361.31555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39561	1.1
55.05513	10.5
56.05036	3.5
57.03434	1.6
57.07079	6.8
58.06598	9.4
59.00253	0.9
59.03738	1.9
60.04528	8.3
66.09197	0.9
67.05502	12.6
69.07063	10.5
70.06596	17.9
70.99974	2.0
71.00326	1.2
71.08644	5.2
72.04520	40.7
72.08156	34.1
72.08569	1.0
72.33156	1.1
74.06085	26.2
76.04003	12.4
76.62434	0.9
79.05492	4.7
80.78863	1.0
81.07053	13.6
82.06595	1.7
83.08605	6.3
83.67974	0.9
84.08156	3.6
85.10162	1.6
86.06073	18.3
88.03976	7.7
88.07621	2.0
90.05562	11.6
91.05473	2.3
93.07049	3.6
95.04978	3.2
95.08614	15.4
96.08160	1.6
97.06549	1.4
97.10170	6.8
98.06058	8.3
98.09731	2.6
99.08079	0.9
100.07628	3.1
102.05550	2.0
105.07034	1.4
107.08644	2.0
109.06518	2.3
109.10152	6.0
114.09148	1.6
118.05016	30.2
119.08586	1.6
121.10151	1.6
121.35956	1.2
123.08080	1.2
123.11689	1.2
128.07091	1.8
131.08585	1.3
136.11150	1.1
140.10715	2.0
154.12343	1.6
165.12764	10.4
170.57130	1.0
175.11198	1.1
191.14360	1.1
208.17033	1.7
238.18164	1.3
246.18549	1.6
262.18625	0.8
262.19067	0.8
262.21616	6.5
266.28476	3.2
268.30008	6.5
278.28540	1.2
282.27991	2.6
294.27957	1.4
296.29648	4.2
298.27490	2.9
312.28946	11.1
324.29175	6.9
324.32684	1.5
330.30106	2.7
342.30057	30.9
360.31168	100.0
360.34570	7.1
361.31714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45861	1.1
55.05510	7.3
56.05038	13.4
56.96566	2.4
57.07082	8.8
58.06598	13.3
60.04526	15.5
61.02927	1.3
61.80173	1.0
67.05508	13.4
69.03419	1.4
69.07066	10.2
70.06581	8.5
71.08624	4.2
72.04528	5.8
72.08146	2.0
74.06081	100.0
79.05486	11.6
81.07063	10.1
82.06575	1.4
83.04990	8.0
83.08623	6.4
83.91398	1.2
84.08138	1.4
85.02900	1.8
86.06071	6.7
86.86601	1.0
88.07626	2.0
90.05584	1.5
91.05476	3.0
93.07030	9.1
95.08608	10.2
96.08112	2.9
96.69157	1.0
97.02847	1.3
97.06526	1.8
97.10165	2.9
97.17194	1.2
98.06061	3.7
98.97565	2.1
100.07597	8.5
102.05547	13.6
107.08598	4.6
109.10181	2.7
111.11735	1.4
112.99142	1.1
113.08424	1.4
114.05581	1.5
116.98582	1.3
121.10139	6.4
131.00169	3.5
135.11688	2.5
147.03055	1.4
147.56602	1.1
147.63712	1.0
149.01196	5.3
156.03600	1.9
174.03612	1.1
217.03850	1.3
228.05663	1.8
265.25259	22.7
268.30045	4.8
278.28461	4.6
279.15359	5.7
282.27875	1.8
284.29123	1.3
293.05219	1.1
294.28006	1.4
296.29477	53.6
297.29803	1.4
299.66727	1.4
306.28049	8.5
314.30478	16.0
324.28955	10.4
332.31491	7.2
342.30023	59.1
360.18066	12.2
360.22046	2.0
360.31018	23.6
360.34830	3.0
360.68250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47346	0.6
53.66205	0.6
55.05516	3.4
56.05049	6.8
57.03433	1.5
57.07082	2.5
58.06600	3.4
67.05518	3.2
69.07084	3.8
70.06598	8.7
70.65611	1.5
70.65944	0.7
71.08631	0.9
72.04538	1.2
73.05302	1.0
74.06087	100.0
79.05513	1.8
81.07071	3.0
82.06584	1.8
83.08643	1.7
85.10202	0.7
86.06069	1.8
88.07635	3.5
91.05506	1.1
93.07059	0.9
95.08626	2.4
96.08163	1.0
97.10168	1.4
100.07629	0.8
104.07163	0.7
105.07046	0.8
107.08607	1.3
109.10169	0.9
121.10181	1.0
132.04492	1.1
132.92120	0.6
133.10139	0.8
267.14114	0.6
279.64560	0.7
294.31580	1.4
296.33118	1.8
298.31183	0.8
306.31485	0.8
312.32321	0.8
324.32617	6.1
342.33685	16.5
360.34753	75.0
361.35080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1108
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
56.96556	1.6
68.49693	0.6
69.03409	3.1
70.06579	1.2
70.44421	0.6
71.13883	1.6
71.42303	0.7
72.08141	1.5
74.06049	0.9
82.99866	0.7
84.04506	1.0
84.08126	1.7
85.02880	3.3
86.09667	2.1
89.03882	1.0
92.19875	0.7
93.07030	0.7
96.96606	0.8
97.02879	1.5
97.33320	0.7
98.97574	3.0
103.91890	0.7
105.03372	0.9
113.05742	0.9
119.01824	0.8
121.02870	0.9
127.03930	1.0
128.98584	0.9
130.06563	1.0
135.04420	1.5
137.05977	0.8
145.02844	1.0
146.05991	2.0
158.05884	1.1
159.06697	1.4
160.07426	1.1
163.03902	2.0
167.07074	0.9
177.05453	1.6
183.05524	1.4
204.04675	0.8
225.07735	2.5
237.05217	0.9
261.64169	1.2
262.14215	2.1
275.10992	9.4
299.11197	1.5
316.10944	1.2
317.12076	46.1
332.10529	1.0
333.13303	0.9
335.08804	1.6
344.10046	1.5
344.13852	1.4
361.10986	100.0
362.11395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.6
56.96558	6.6
62.13834	2.5
66.13538	2.8
70.06582	16.1
70.71974	6.9
72.08148	4.2
79.05479	10.7
81.03403	3.4
81.07061	4.4
84.04511	3.5
84.08134	3.8
85.02911	11.8
86.09703	17.4
87.10001	5.1
88.10641	2.4
89.03905	7.8
89.10628	2.5
91.05465	9.2
93.06551	2.7
93.07044	18.8
95.08598	2.3
97.02909	3.7
98.97576	6.0
99.00831	2.7
111.10232	2.4
116.07117	11.9
117.03379	8.1
119.04971	3.0
121.03960	2.6
121.06524	18.1
123.04465	3.1
123.08062	9.2
133.07716	2.4
135.04417	10.2
136.03946	6.7
137.05911	3.6
138.57726	2.6
139.07521	14.3
143.00093	2.8
145.02820	7.6
146.06078	3.8
147.04446	4.7
149.05988	8.7
163.03911	43.7
164.04167	3.0
167.07045	100.0
187.14471	3.9
199.09822	20.3
207.06506	4.1
215.30396	2.5
216.59261	2.6
237.00583	3.1
255.01764	5.1
273.02881	3.2
297.02557	2.7
361.10773	22.6
361.18301	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	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08355	0.4
53.03936	0.4
53.33697	0.4
55.05515	3.0
56.05035	6.4
56.96557	0.7
57.03422	1.4
58.02962	0.4
58.06602	3.4
62.88646	0.4
65.03938	0.5
67.05503	5.0
69.07061	2.7
69.51096	3.1
70.06594	7.9
71.04992	0.5
72.04485	1.0
73.05316	0.8
74.06081	100.0
75.06413	0.4
79.05496	1.7
81.03423	0.5
81.07064	4.4
82.06574	1.0
83.04984	0.6
83.08606	2.4
84.08169	1.0
86.06033	0.8
87.04483	0.6
88.07626	3.7
91.05486	2.1
93.07030	2.4
94.06571	1.0
95.04977	0.5
95.08601	4.1
96.08118	0.9
97.06532	1.0
97.10178	1.4
98.97594	0.9
100.07625	0.7
105.07048	0.9
107.08595	1.3
109.02919	0.7
109.08932	0.6
109.10166	2.0
110.09667	0.8
119.08597	1.5
121.10173	1.4
122.09696	0.4
123.11671	0.5
131.08618	0.8
133.10158	1.2
135.11684	0.8
136.06206	2.8
145.10103	0.6
146.09622	2.5
159.11707	0.4
176.10747	0.7
190.08640	0.7
244.16994	0.7
246.74155	0.6
248.16466	0.8
271.11240	0.5
278.24783	0.5
280.26382	0.6
282.24316	0.6
290.24765	0.7
295.23041	0.5
296.25916	1.4
301.06366	0.5
308.25867	3.5
316.26355	2.5
326.26877	4.2
344.27988	17.4
362.29099	71.6
363.18060	0.6
363.29114	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	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49098	0.5
55.05512	1.8
56.05036	7.2
57.03441	0.8
58.06593	4.0
60.04530	0.6
67.05504	6.7
67.37786	0.5
69.03429	0.5
69.07066	1.8
70.06591	5.4
70.83816	1.4
71.04986	0.6
72.04522	2.0
72.08158	0.5
73.05306	0.6
74.06080	100.0
78.14014	0.5
79.05492	4.6
81.03411	0.8
81.07052	6.0
83.08625	0.8
84.04522	0.6
84.08144	1.3
85.02911	0.9
85.06548	0.9
86.06070	3.9
86.62037	0.6
88.07622	3.1
91.05480	5.0
93.07051	4.1
94.06578	1.1
95.04949	0.6
95.08602	4.2
96.08174	1.3
97.06538	0.9
97.10207	0.5
98.06050	0.8
98.97556	0.5
99.08012	0.5
100.07651	0.6
105.07017	2.5
107.04929	0.6
107.08609	1.3
108.08150	0.9
109.06533	0.5
109.10145	2.3
112.07645	0.5
114.09151	0.6
117.07012	0.8
119.08587	1.7
121.10162	1.6
122.09711	0.5
131.08546	1.2
132.16794	0.5
133.10135	1.4
135.11745	1.0
136.11227	0.5
145.10127	0.7
152.05644	1.0
159.11771	0.6
161.13239	0.5
167.07100	0.8
177.05519	0.8
203.18047	0.7
205.51866	0.5
207.06789	0.6
241.36736	0.5
253.72006	0.5
290.24823	1.9
308.25803	4.1
326.26852	9.2
344.23828	1.1
344.27936	19.2
362.28983	81.3
363.14136	0.7
363.29294	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	363.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81530	1.3
56.96563	24.3
57.03444	1.9
58.80276	1.4
60.04506	2.6
60.05632	4.0
64.96140	1.5
69.03415	5.1
70.01051	7.1
70.06574	4.6
71.04975	3.8
72.08136	2.5
73.02901	3.0
74.06033	1.3
77.80574	1.3
81.03407	3.4
81.93602	1.8
83.06084	2.1
84.04500	2.4
84.08143	4.2
84.96033	12.0
85.02892	6.4
86.03566	10.7
86.09718	7.9
87.04520	1.5
89.03901	1.6
93.52867	1.4
94.06557	1.8
97.02910	2.8
98.97587	71.4
99.04481	1.6
110.97572	25.3
112.99160	6.8
116.98637	23.4
117.03368	1.8
120.06585	1.7
124.99122	1.6
128.98618	21.3
129.10234	2.7
131.00182	5.2
134.06091	1.6
134.99664	7.9
135.64738	1.6
140.00188	1.9
140.07076	2.3
140.98605	3.2
141.02238	6.4
143.00168	6.3
144.98059	2.4
146.05992	3.3
146.99649	13.4
149.01225	2.4
149.07147	3.0
152.98547	5.8
154.08688	2.2
158.05969	2.4
158.99666	13.9
159.03290	11.5
160.07570	2.7
161.01202	6.3
162.30255	1.4
162.99170	1.9
163.03882	3.4
165.00746	2.0
165.02147	1.6
170.99661	10.9
173.07115	2.6
177.00699	12.4
177.04231	3.2
183.03317	2.9
185.07065	3.6
189.00735	5.5
195.01743	1.6
200.09294	2.7
200.21770	1.5
201.00710	5.7
201.04312	5.4
201.10237	4.3
201.12225	1.9
202.12563	1.7
213.04356	1.5
215.08217	2.5
216.11287	5.9
219.01752	43.8
219.05309	3.4
236.87253	1.5
237.02800	74.9
243.05476	2.3
251.04439	3.8
254.08649	1.7
255.03775	3.2
271.11087	11.2
272.11795	4.0
273.05966	1.6
278.11316	9.0
286.09781	2.4
289.09708	2.7
291.07526	1.7
292.10773	1.9
300.11670	2.3
301.14438	8.0
302.09525	1.7
303.07495	39.6
304.09183	3.9
315.10208	2.2
316.10736	6.1
317.12808	2.7
318.12692	2.9
320.10220	3.3
321.08582	100.0
328.10660	4.3
334.11951	3.1
344.10165	3.2
345.13556	17.4
346.11841	6.0
346.15674	3.3
363.09598	28.9
363.14621	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
56.05023	1.7
56.96554	2.7
67.05499	1.6
69.03405	2.6
69.29350	1.1
70.06584	4.7
71.59540	2.3
71.59921	1.1
72.08152	2.5
73.02916	1.8
74.06068	2.1
76.79950	1.1
78.04702	3.6
79.05486	4.4
81.03402	3.5
81.07069	1.7
83.04966	1.5
83.06075	2.1
84.04499	3.9
84.08124	4.4
84.96021	2.2
85.02898	4.3
86.09697	4.6
91.05466	4.2
93.07042	2.0
95.04948	2.7
96.62299	1.4
97.02883	2.7
97.06532	1.6
98.97581	3.8
103.05470	1.7
106.04191	1.7
106.06567	1.4
107.04956	1.9
107.08566	1.7
109.02890	2.4
110.07151	2.5
116.98653	2.4
119.04916	2.4
119.08590	1.5
120.08037	1.4
121.02876	1.9
121.06508	2.7
123.04446	11.3
124.07562	1.6
127.03916	1.7
131.04918	1.7
132.04433	1.7
134.03612	1.3
135.04407	2.6
137.05972	2.0
137.09592	2.1
145.02855	1.4
146.06013	3.9
147.04329	2.3
149.05995	1.7
151.03896	3.4
152.04704	1.9
163.03867	5.3
165.06953	1.8
167.07047	100.0
168.07401	1.3
174.07732	1.6
175.04004	1.4
177.05461	2.3
181.08601	1.9
185.07060	2.1
188.14726	2.0
191.07050	3.0
191.84944	1.3
208.06860	1.6
211.07585	1.9
216.11267	3.8
216.14256	1.5
219.01764	1.4
236.07892	1.6
237.02765	2.3
271.11105	10.4
272.11752	3.2
273.91693	1.6
284.11948	1.2
290.71869	1.6
300.11380	1.9
301.10107	2.2
301.14520	5.5
313.10666	2.6
316.10718	4.5
318.10849	8.0
319.17667	2.9
328.10730	2.9
334.11792	3.2
345.10031	1.7
345.13556	18.4
346.11963	2.1
363.15625	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24269	0.4
52.11263	0.4
55.05501	0.6
56.96571	0.6
69.03444	0.9
70.03767	1.8
70.06592	1.2
72.08150	1.1
74.06052	0.4
81.03408	0.7
83.04959	1.0
83.08592	0.5
84.04513	0.6
84.08147	0.9
85.02904	1.1
86.09702	0.4
97.02906	0.8
98.97592	1.8
116.98666	0.6
121.02915	0.6
128.98630	0.8
132.04459	0.5
146.06009	0.8
147.04468	0.5
158.99544	0.4
161.01270	0.4
163.03952	0.8
167.07051	2.1
177.00792	0.7
182.67473	0.4
185.07166	0.7
201.06592	1.2
201.11063	4.2
219.01709	0.6
237.02673	0.5
259.09122	0.4
269.09647	0.4
271.11057	3.4
272.11847	1.3
284.09195	0.4
288.11185	0.4
291.07504	0.5
300.11444	0.8
301.14566	1.7
303.12762	1.1
316.10748	1.2
318.12372	0.5
334.11960	0.6
345.13495	4.1
346.11923	1.1
363.16272	100.0
364.16461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
57.03427	0.9
64.77106	0.4
67.05499	1.0
69.84272	1.8
79.05490	1.5
79.55788	0.4
81.03413	0.7
81.07054	1.5
82.13757	0.3
91.05496	2.2
93.07024	1.2
95.08575	0.9
103.05473	0.4
105.07023	1.1
107.04919	0.5
107.08579	1.2
109.10108	0.5
115.05468	1.6
117.05727	0.8
117.07023	1.8
118.06553	29.8
119.08607	0.9
121.06471	0.5
125.09582	0.4
130.06487	0.6
132.08098	2.8
133.08868	1.4
133.10074	0.5
134.09723	0.5
135.08028	0.5
142.06543	1.7
143.07301	2.2
144.04436	0.6
144.08099	10.1
146.06021	45.0
146.09668	1.8
147.06361	0.4
159.08119	0.5
160.07578	0.7
167.07066	0.8
170.06033	3.9
176.14360	100.0
177.14699	1.1
188.07079	29.2
189.07420	0.5
193.12201	0.7
216.13843	1.2
234.14851	1.4
271.16995	0.5
289.18149	1.0
297.01712	0.4
363.20755	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	364.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05508	0.9
56.05023	2.3
56.96545	0.8
57.03401	0.6
58.06597	1.5
60.04528	0.7
61.02883	0.6
61.37853	0.6
67.05502	1.7
69.03423	1.2
69.07078	0.8
70.06599	5.5
70.48069	0.5
71.59152	1.1
72.04519	5.9
72.08162	25.8
73.02905	0.9
74.06090	8.1
79.05498	2.2
81.03423	6.5
81.07048	1.9
84.04500	0.8
84.08154	4.7
85.02883	1.5
86.00624	0.8
86.06076	1.0
86.09718	3.3
89.03931	6.1
90.05564	1.8
93.07047	1.0
95.05000	0.8
95.08611	0.9
97.02875	1.1
98.06061	1.3
98.97593	1.1
99.09210	0.8
100.07628	65.7
104.05295	1.9
105.07057	1.5
107.04938	0.8
109.02894	0.9
110.06003	0.6
110.07188	0.8
112.11274	0.6
116.07082	1.4
117.03387	26.1
117.10292	3.0
119.04970	0.8
119.08542	0.9
120.08102	2.3
121.10138	1.1
124.07616	1.1
127.03915	0.8
129.10228	1.5
130.04997	0.8
132.01155	1.0
132.55937	0.7
134.03636	1.8
135.04396	1.9
145.02858	81.3
149.06000	8.8
157.07629	0.8
160.07646	0.6
162.03139	0.8
163.03967	1.4
167.07088	1.1
171.14925	10.7
177.05484	90.2
178.05902	1.2
181.04909	1.3
182.05334	0.7
184.09581	1.0
186.05469	1.0
187.14476	0.9
188.17592	18.0
190.05032	1.8
202.10757	2.9
202.14449	0.6
210.14951	1.9
214.15540	1.8
217.13020	1.6
220.11807	1.3
234.11400	1.1
244.95856	0.7
248.12862	5.9
256.13644	1.3
265.15561	0.7
287.89368	0.6
302.14453	0.9
302.19681	1.2
318.13904	1.6
320.20724	0.9
328.24866	0.8
330.12207	0.6
346.13788	2.0
346.22073	3.7
346.25888	2.4
347.19748	3.9
364.14603	3.8
364.22375	100.0
365.22574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54491	0.7
58.59980	0.6
71.03083	1.2
72.04500	2.6
72.08160	24.6
75.51904	0.6
84.08134	1.1
89.03924	6.4
100.07625	52.0
112.11223	1.1
117.03394	25.6
117.10248	2.9
124.29513	0.6
134.03633	1.2
135.04425	1.5
145.02853	74.9
149.05983	9.4
171.14932	9.3
174.73674	0.7
177.05478	100.0
178.05814	1.4
188.17589	16.9
214.15486	1.5
235.88924	0.7
248.12837	9.1
265.15491	1.9
309.71194	0.7
346.39615	0.7
347.19662	15.2
364.22311	77.7
365.22659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
56.01701	0.5
58.06579	0.6
69.39396	0.5
69.76021	2.7
70.06601	0.6
72.04501	1.7
72.08155	14.6
74.06038	0.6
84.08176	0.7
89.03912	4.9
98.06079	0.6
100.07622	39.8
112.11237	1.0
117.03389	22.6
117.04228	1.1
117.10262	1.6
134.03633	1.3
135.04437	1.1
142.07542	0.5
145.02853	74.2
149.05962	6.9
153.77451	0.6
163.03983	0.8
167.97697	0.6
171.14923	5.9
177.05475	100.0
184.63046	0.6
188.17574	12.7
214.15480	1.6
216.08737	0.9
217.09065	2.0
248.12837	16.7
261.13638	0.6
265.15347	1.2
267.39273	0.5
287.36539	0.6
332.17126	0.6
346.21115	1.2
347.19675	20.5
364.22311	75.5
365.22372	1.9
368.82275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
56.05035	6.4
57.03444	0.7
57.05820	0.4
57.35370	0.4
57.41013	0.4
58.06600	2.5
67.05508	5.5
68.05032	0.4
69.07072	2.4
69.34663	3.7
70.06596	5.1
72.04519	0.8
74.06082	100.0
75.06431	0.4
79.05500	2.5
81.03416	0.9
81.07062	5.5
83.08622	1.1
84.08147	0.6
86.06076	1.4
88.07619	2.3
91.05472	1.7
93.07052	2.9
93.28955	0.4
93.71657	0.3
94.06559	1.4
95.04948	0.4
95.08615	2.8
96.08147	1.3
97.06483	0.5
97.10194	0.6
98.20758	0.9
100.07619	0.9
104.07088	1.0
104.55367	0.4
105.07068	0.8
107.08605	1.1
109.10152	1.9
117.07051	0.4
121.10133	1.1
131.08588	0.5
135.11725	0.9
136.06192	15.7
152.05656	2.4
224.69907	0.4
245.61765	0.4
262.25229	0.5
274.25360	0.7
280.26373	1.1
281.24289	0.4
292.26285	3.2
310.27405	5.4
328.28421	7.2
341.94397	0.5
346.18561	0.5
346.29547	17.1
353.20200	0.5
364.20377	5.6
364.30582	83.4
365.30862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63098	1.5
53.03941	4.5
55.05511	30.2
57.07068	3.9
60.08172	2.9
65.03925	4.3
67.05166	3.6
67.05508	60.5
69.07063	22.5
70.49639	6.5
71.04985	3.1
73.02919	2.5
78.94656	1.7
79.05493	40.9
80.33557	1.9
81.07059	51.3
83.08620	8.8
90.53446	2.0
91.05480	17.1
93.07047	48.6
95.04959	4.7
95.08611	33.5
97.06535	2.5
97.10162	2.9
99.04449	3.2
100.20822	1.7
105.07032	8.8
107.08589	20.7
109.10144	12.3
119.08592	6.2
120.04486	2.4
121.10136	13.1
123.11695	3.1
125.09682	1.9
125.81676	1.8
131.08585	3.0
133.10129	4.3
135.11694	6.6
138.09082	3.8
147.11684	2.5
149.13264	3.4
159.11795	2.1
180.13829	4.2
216.89398	1.7
291.19342	2.6
305.24744	78.8
332.22275	3.0
346.24249	1.9
364.25287	16.9
364.32086	100.0
365.32614	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48420	0.7
70.13910	0.9
70.79431	0.9
71.28787	1.4
101.00895	1.4
113.00819	1.1
119.01892	1.9
131.01949	1.2
143.01929	2.8
145.03484	1.9
150.44603	0.8
155.01900	1.1
161.02983	2.1
167.01891	1.0
169.03404	0.9
173.03006	2.9
185.02977	1.9
185.04253	25.9
197.03107	1.4
203.05287	51.8
243.20174	0.8
245.05133	6.0
350.82233	1.0
365.10599	100.0
366.11069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01870	1.0
55.05510	2.2
56.96559	2.2
57.03427	2.3
59.49550	0.6
61.02926	1.3
67.05506	3.7
69.03416	1.8
69.07065	2.0
71.04994	1.2
71.59498	0.9
73.02914	1.0
79.05492	4.6
80.65502	0.5
81.03423	2.8
81.07058	5.3
83.04970	1.4
83.08621	1.6
83.69083	0.6
85.02909	1.4
85.06545	0.8
91.05489	5.2
92.27616	0.5
93.07050	3.8
95.04963	1.6
95.08620	3.3
97.02919	1.1
97.06528	1.0
97.10181	0.6
98.97584	1.8
99.04435	0.5
103.21542	0.5
105.07054	4.4
107.04980	1.1
107.08613	3.0
109.02875	0.6
109.06524	1.9
109.10162	2.4
111.04419	0.9
111.08102	0.8
117.07018	1.5
119.08590	4.6
121.06509	1.5
121.10154	2.4
123.08112	1.0
123.11626	0.7
125.09677	0.8
129.07030	1.4
131.08568	1.6
133.10168	2.0
135.08066	2.0
135.11714	0.9
137.05989	0.9
137.09555	0.8
143.08568	0.9
145.01768	0.6
145.02866	0.5
145.06494	0.6
145.10130	2.1
147.04395	0.8
147.08046	1.0
147.11668	1.8
149.09633	1.5
152.86653	0.5
153.09157	0.6
157.10117	0.8
158.99687	0.6
159.11702	1.7
161.09650	0.6
163.11308	0.5
169.10112	0.9
171.11720	0.9
175.11214	0.8
179.10805	0.6
181.03497	0.6
187.82492	0.6
193.12300	0.7
203.05531	0.8
219.44582	0.5
227.17792	0.6
243.10591	0.6
251.12306	0.8
267.09128	1.1
269.12506	0.7
273.18594	2.4
275.17657	0.6
285.10138	1.9
291.19479	1.2
311.83667	0.6
333.36984	0.6
347.18240	2.2
365.19397	100.0
366.15671	0.6
366.19473	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45916	1.8
53.03937	2.8
55.01867	10.7
55.05265	2.6
55.05512	35.5
55.18711	1.7
56.96581	8.8
56.96797	1.6
57.03439	12.0
67.05162	2.5
67.05505	40.5
69.03434	15.3
69.06715	2.9
69.07072	41.1
71.04996	4.1
71.10561	2.9
73.02918	2.6
77.95226	1.4
79.05494	34.2
81.03413	7.7
81.07057	29.2
83.04969	5.5
83.08630	14.2
85.02907	2.3
86.83451	1.5
87.81612	1.6
91.03957	2.0
91.05482	20.6
93.07047	21.0
95.04966	10.9
95.08607	13.6
97.02901	20.0
97.06538	5.1
97.10165	17.5
98.97581	4.4
99.08070	2.3
105.07033	19.0
107.04967	11.2
107.08595	21.0
109.02808	2.1
109.06499	2.5
109.10176	12.5
111.08096	2.2
117.07058	7.8
119.08587	15.9
121.06519	4.2
121.10141	7.4
123.08057	7.4
125.09640	17.4
129.07043	3.9
131.00237	3.0
131.08574	10.0
133.06429	4.2
133.10127	8.1
135.08058	8.4
135.11705	4.0
137.09659	4.9
143.08698	3.5
145.10115	7.2
147.08041	4.6
147.11670	4.7
149.01231	3.1
149.09576	4.9
149.13301	2.3
157.10123	4.8
158.99693	2.4
159.11734	6.1
161.09637	7.1
171.11604	2.1
175.11108	2.6
177.12762	2.7
185.13217	1.6
189.11211	6.1
195.13766	2.3
205.12238	1.9
217.07561	1.9
223.13295	31.4
229.07428	3.7
247.08586	3.9
267.09067	5.6
273.18500	18.9
284.12732	17.1
284.62903	2.8
285.10181	8.3
291.19543	100.0
292.19812	2.2
324.11172	1.8
365.10779	3.0
365.15433	7.1
365.23196	61.2
365.65582	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	365.2318
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03949	4.6
55.01880	14.2
55.05507	13.2
56.96556	4.8
57.03180	2.7
57.03441	47.9
61.02941	2.1
62.47803	1.5
65.03935	5.5
67.05508	58.9
69.03426	2.7
69.07077	9.2
70.72066	2.0
70.72412	4.6
71.04977	6.3
79.05047	2.5
79.05495	36.5
81.03419	5.6
81.07060	42.3
83.04992	8.7
83.08610	7.5
85.02895	4.2
85.06552	38.3
91.03922	2.0
91.05486	34.1
93.07051	32.0
95.04977	59.4
95.08617	16.4
97.06520	5.1
97.10172	4.5
98.97581	2.8
99.04449	3.1
99.08094	2.0
105.07051	23.0
107.04962	13.2
107.08600	21.0
109.06523	52.1
109.10159	10.4
111.04456	9.5
111.08091	5.7
113.06013	79.4
117.07027	14.2
119.08595	16.3
121.06531	8.5
121.10146	9.7
123.08082	6.5
123.11692	2.4
125.09685	2.9
128.06203	3.4
129.06981	7.6
131.08568	19.1
133.06496	3.7
133.10106	15.7
135.08061	36.3
135.11668	9.7
137.92502	1.8
138.48782	1.8
141.06987	2.9
143.08556	6.7
145.06522	3.3
145.10126	13.2
147.08043	5.9
147.11700	4.7
149.09622	6.2
149.13239	2.3
151.11218	4.4
153.09131	2.1
153.12816	2.5
157.10146	8.2
159.08034	4.2
159.11682	8.4
161.09625	12.5
161.13145	2.5
163.07567	2.0
163.11214	6.1
165.09058	2.1
171.11720	3.7
173.09581	2.1
173.13298	2.6
175.11172	4.3
177.09082	2.9
177.12712	3.8
180.15982	1.9
181.12384	2.0
183.11690	3.0
185.13255	3.8
189.12901	2.4
195.13989	2.4
199.14893	3.4
201.12787	2.6
205.08356	5.0
217.15834	11.6
237.16513	2.5
245.19176	4.2
253.14403	3.0
255.17453	4.2
273.18484	36.7
284.12805	6.5
291.19543	42.6
347.22223	5.8
365.23065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.7
55.01887	16.0
55.05513	27.3
57.03442	27.1
57.07066	9.3
59.05006	25.3
59.84906	2.5
65.03933	4.2
67.05159	4.3
67.05511	80.1
69.03428	9.0
69.07079	29.3
69.24474	30.0
71.01325	2.8
71.04995	5.6
78.28725	2.5
79.05493	76.2
81.03409	12.8
81.07063	100.0
83.01360	3.6
83.04985	24.5
83.08627	12.4
85.02879	3.0
85.06526	7.6
91.05486	84.4
93.07053	59.4
95.04981	21.7
95.08627	30.6
97.02877	3.4
97.06530	11.2
97.10129	2.9
99.08127	3.4
105.07037	68.4
107.04974	26.2
107.08605	46.8
109.06554	15.4
109.10165	48.9
111.04424	6.1
111.08081	10.5
115.05476	6.3
115.11210	4.7
117.07021	17.7
119.08606	22.7
121.06543	18.5
121.10175	18.9
123.08060	10.1
123.11711	9.0
125.09621	4.3
128.06242	4.0
128.70724	2.3
129.07039	9.0
131.04910	3.1
131.08577	25.9
133.06491	18.0
133.10144	83.3
135.08052	20.9
135.11703	7.7
137.06064	3.4
137.09590	3.4
139.07538	7.0
143.08589	8.5
145.10146	12.3
145.11661	2.3
147.08069	8.0
147.11725	8.6
149.09639	24.7
149.13266	4.8
151.11188	49.0
157.10156	7.8
159.08093	7.3
159.11696	8.7
161.09647	15.3
161.13264	4.0
163.11153	5.4
169.12273	5.5
171.11694	6.9
175.11166	7.5
177.09135	13.9
177.12772	5.2
179.10655	4.2
185.13243	3.5
187.86996	2.7
189.12764	5.7
201.12819	2.9
207.13699	3.1
215.12770	2.9
245.18979	10.2
251.13010	2.6
253.14311	26.2
255.17543	4.5
263.20099	9.5
269.13858	4.9
273.18469	37.8
291.19547	24.8
309.21072	2.9
347.22421	6.2
365.23230	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01868	10.5
55.05262	2.2
55.05515	33.6
56.96285	1.7
56.96563	25.9
57.03439	19.2
57.07068	2.3
61.02912	6.7
65.03938	3.0
67.05507	50.0
69.03439	18.3
69.06715	3.1
69.07072	51.3
71.04987	3.8
71.19617	2.6
71.19958	1.8
71.95254	1.9
73.02905	4.1
79.05499	44.6
81.03428	11.8
81.07057	52.3
81.68145	1.9
82.14200	1.5
83.04978	8.6
83.08627	14.6
84.08129	2.0
85.02885	8.0
85.06543	2.8
87.04417	1.5
91.03942	3.8
91.04958	2.6
91.05485	37.3
93.07050	36.6
95.04968	16.3
95.08614	24.8
97.02900	21.0
97.06556	7.2
97.10169	19.2
98.97579	4.5
99.04468	1.9
103.00676	1.5
103.02417	1.7
105.07026	24.3
107.04948	13.3
107.08595	25.5
109.02888	1.7
109.06539	12.3
109.10163	18.2
110.97572	2.3
111.04468	2.6
111.08075	3.8
115.00702	3.5
117.07014	11.4
119.04932	2.6
119.08591	21.5
121.06498	6.5
121.10162	10.8
123.04414	1.7
123.08062	8.5
123.11719	2.7
125.09619	16.3
127.03880	2.3
128.06203	2.3
128.98589	2.7
129.07013	8.2
131.08562	17.5
133.03447	2.5
133.06482	4.6
133.10132	19.4
135.08084	9.6
135.11662	7.0
137.09607	4.9
143.08575	7.4
145.06493	2.6
145.10106	13.7
147.08043	10.2
147.11658	6.7
149.09612	9.5
149.13268	4.3
151.11156	4.8
153.09114	3.6
153.12640	1.7
155.01808	1.5
155.03694	1.9
155.08539	2.4
157.10121	6.5
159.08125	2.3
159.11690	6.5
161.09633	8.4
161.13260	3.5
163.11198	3.9
165.09122	3.9
171.03319	3.4
171.11646	4.4
173.02899	2.2
173.09560	1.6
175.11148	7.5
177.12724	2.9
179.10574	1.9
181.10272	1.8
183.11650	2.7
185.04776	2.0
185.13290	3.5
189.04330	2.4
189.11290	7.7
189.12730	2.0
193.12221	6.8
195.13904	2.1
197.04829	1.7
199.04747	2.1
199.06435	6.9
203.05843	2.2
203.10970	4.6
205.12262	3.8
213.07874	1.9
217.07507	9.9
217.15900	1.8
223.06401	3.0
223.13312	26.7
227.17877	1.9
229.07430	3.0
231.09065	2.5
237.07925	2.2
237.16545	2.0
241.07443	12.6
243.09383	2.5
245.19070	3.6
253.07449	3.4
255.08994	3.6
255.17360	4.0
259.08615	21.3
263.19821	3.0
267.09125	2.3
269.10468	1.9
271.08679	2.3
273.10001	3.4
273.18521	32.2
277.09537	3.3
284.13559	5.5
284.63797	2.5
285.10071	2.7
287.11783	2.4
291.19550	100.0
329.14154	4.5
347.15302	29.5
347.21957	3.2
365.16205	28.8
365.23227	46.1
365.27930	2.5
383.17361	7.6
388.17990	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47725	1.0
53.03939	3.0
55.01874	7.1
55.05516	14.9
56.96561	3.2
57.03442	50.6
57.07077	3.2
65.03950	3.8
67.05511	57.0
69.03426	5.2
69.07075	17.0
69.29746	10.9
71.04992	4.6
77.03956	1.2
79.05498	29.1
81.03419	5.7
81.07064	31.2
83.04983	3.1
83.08602	5.5
85.02891	1.8
85.06554	35.7
91.05489	24.8
93.07055	22.6
95.04976	55.0
95.08617	15.2
97.02905	4.4
97.06530	4.4
97.10168	4.6
99.04475	1.2
99.08047	1.6
105.03467	1.1
105.07038	21.0
107.04971	9.6
107.08607	17.1
109.05775	2.5
109.06526	51.9
109.10189	7.2
111.04492	1.2
111.08095	2.8
113.06016	100.0
115.05466	2.5
117.07029	9.2
119.05002	1.1
119.08589	13.2
121.06508	6.3
121.10159	6.7
123.04418	1.4
123.08064	5.6
123.11735	1.4
125.09628	3.5
127.07523	3.4
128.06239	2.1
129.06993	6.3
131.08580	13.8
133.06474	2.3
133.10152	10.1
135.08064	30.7
135.11693	8.7
137.06004	1.4
137.09689	1.6
143.08568	6.3
145.10126	8.7
147.08101	4.9
147.11690	4.0
149.09637	5.4
149.13278	3.3
157.10118	5.1
159.08046	1.9
159.11678	6.4
161.09633	7.2
161.13307	1.5
163.11192	4.0
165.09117	2.6
171.11726	4.2
173.13304	3.1
175.11234	3.9
177.12750	2.8
183.11665	2.1
185.13281	2.6
187.11264	1.5
189.11256	1.6
193.12271	2.4
195.11815	1.2
195.13745	1.5
199.14865	3.7
201.12730	1.8
217.15880	13.1
219.13857	1.6
223.13361	3.4
227.17932	1.7
245.19061	2.9
255.09006	1.7
255.17493	2.0
267.09140	1.7
269.10684	3.4
273.18539	22.4
285.09967	1.4
287.11728	2.3
291.19562	43.0
365.06119	1.2
365.19269	2.5
365.23206	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48537	0.9
53.03942	4.4
55.01875	8.2
55.05513	35.8
56.47898	0.7
56.96561	2.1
57.03440	11.5
57.07068	1.1
59.04988	1.5
65.03927	1.8
67.05506	42.3
68.05838	1.0
69.03070	0.9
69.03433	12.4
69.05224	0.8
69.07072	44.3
71.04966	1.0
73.57948	0.9
79.05496	32.7
81.03432	6.6
81.07062	28.2
83.04980	7.4
83.08626	12.1
85.06540	1.3
91.04961	1.6
91.05486	21.2
93.07048	22.3
95.04972	11.7
95.08620	17.0
97.02895	17.1
97.06525	3.9
97.10181	21.3
98.97565	1.0
105.07030	15.3
107.04947	9.6
107.08601	19.2
109.02870	1.7
109.06535	4.6
109.10155	11.9
111.04428	0.8
111.08056	3.1
115.05434	0.9
117.07020	7.9
118.99435	0.9
119.04962	1.7
119.08583	13.3
121.06535	4.5
121.10151	7.2
123.04415	0.9
123.08070	4.4
123.11720	1.9
125.09642	17.6
128.06235	1.5
129.06998	4.1
131.08589	7.3
133.06490	3.1
133.10139	9.1
135.08049	5.4
135.11678	3.4
137.05977	6.3
137.09605	5.0
143.08543	2.8
145.10144	7.8
147.08029	5.9
147.11679	3.9
149.09627	3.0
149.13263	3.0
151.11197	2.5
153.09122	2.0
157.10123	3.1
159.08011	1.5
159.11711	3.6
161.09633	3.6
163.11189	2.6
165.09076	2.2
169.10085	1.2
171.10243	1.3
171.11708	2.3
175.11165	2.2
175.14793	1.0
177.12778	1.7
183.11682	1.2
185.13275	1.3
189.11244	7.3
193.12210	1.2
195.13802	2.9
205.12276	2.3
223.11093	1.8
223.13303	33.7
227.12886	1.6
227.17928	1.4
245.19029	2.3
253.14511	1.0
255.17484	1.1
263.20142	2.0
269.10498	1.3
271.06314	2.5
273.18518	13.8
291.19559	100.0
292.20038	1.8
310.92343	0.8
347.13068	1.9
347.22015	1.0
365.23196	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01878	22.2
55.05515	36.2
55.09396	1.7
57.03441	22.9
57.07067	5.4
59.05001	3.1
61.02930	3.7
63.56244	1.9
65.03940	4.2
67.05511	89.1
69.03436	9.1
69.07066	27.7
69.65380	5.8
69.65797	8.1
71.05006	9.0
79.05498	77.1
80.06283	2.2
81.03433	13.9
81.07063	100.0
83.01318	2.9
83.04999	16.8
83.08623	18.2
83.54269	1.8
85.02895	5.2
85.06543	7.1
89.03845	1.8
91.03957	3.0
91.05487	76.7
93.07052	76.7
95.01307	2.6
95.04978	24.5
95.08041	3.0
95.08614	46.0
97.02899	4.6
97.06537	14.1
97.10149	4.0
98.20695	2.5
99.04422	2.4
99.08103	2.3
103.03930	5.9
103.05457	3.3
103.73132	1.9
105.07037	55.7
107.04962	25.9
107.08604	47.5
109.02850	3.3
109.06523	13.4
109.10168	34.9
111.04423	3.7
111.08102	13.6
113.09630	2.1
115.05475	4.8
117.07031	19.4
119.04991	2.6
119.08591	25.4
121.06525	12.7
121.10154	24.4
123.04468	3.2
123.08078	12.2
123.11688	10.4
125.09599	5.0
127.07570	3.8
128.06215	4.4
129.06996	11.4
131.08578	37.1
133.06502	21.6
133.10143	60.0
135.08051	26.4
135.11710	12.1
137.06001	3.0
137.09605	6.0
139.07576	3.9
139.11176	3.3
143.08568	11.3
145.10132	12.2
147.08055	9.0
147.11641	11.2
149.08531	3.1
149.09634	37.5
149.13245	4.0
151.11183	30.8
153.09119	2.8
155.08563	3.7
157.04993	3.5
157.10158	6.9
157.16925	1.8
159.08051	11.4
159.11702	8.3
161.09645	14.2
161.13272	7.5
163.07555	3.2
163.11201	4.5
165.12817	2.3
167.08575	2.3
169.10101	2.9
169.12215	5.6
171.11726	9.6
173.13158	2.0
175.11206	11.3
177.09132	15.3
177.12776	3.6
179.10718	4.6
183.11861	2.3
185.13284	3.0
187.11177	2.1
189.12805	4.8
193.12178	2.2
195.10152	3.9
199.11305	2.1
215.12727	2.4
217.12204	2.3
217.19255	2.3
223.13274	3.0
227.17960	5.5
245.19041	10.5
251.12730	5.6
253.14337	23.7
255.17412	4.9
263.20053	19.1
269.14017	9.8
273.18491	44.8
273.21698	3.1
291.19559	27.4
309.20676	4.3
321.24203	5.7
333.15158	2.5
347.22128	5.3
365.23227	78.1
365.27798	5.1
372.38480	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	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03929	0.4
55.05515	2.3
57.03433	0.5
57.07082	4.9
67.05507	3.7
67.19798	0.3
69.03426	0.6
69.07064	2.5
69.24867	2.0
69.25304	1.4
71.04982	0.6
71.08632	0.8
74.13013	0.3
74.54347	0.4
76.54179	0.3
79.05502	3.2
80.02502	0.3
81.07062	5.0
83.04984	0.8
83.08618	1.1
85.06542	2.2
91.05479	2.7
93.07047	4.4
95.04980	2.0
95.08620	4.0
97.06544	1.4
97.10168	0.6
105.07030	3.9
106.05086	0.4
107.05022	0.4
107.08591	3.9
109.06527	2.5
109.10177	2.1
111.08098	0.6
117.07033	1.0
119.08596	3.5
121.06532	0.5
121.10132	2.5
123.08081	3.2
123.11694	0.9
124.08849	1.6
125.06021	0.6
128.06180	0.6
129.07028	0.7
131.08580	1.7
133.10149	1.5
135.08061	1.7
135.11716	1.1
136.02710	0.3
137.05989	0.8
137.09636	0.6
139.07536	0.4
141.06995	0.5
142.07793	1.3
143.08583	2.2
144.09433	0.4
145.10133	2.4
147.08112	0.7
147.11691	0.8
149.09686	0.8
151.07542	4.2
151.11212	0.5
152.08336	7.6
155.01106	0.7
156.09358	0.8
157.10159	2.5
159.08081	0.4
159.11716	1.8
161.09676	0.5
161.13292	0.6
165.09125	9.0
167.08611	0.7
167.35516	0.3
169.10141	1.2
171.11757	1.5
173.13312	0.7
177.09142	0.6
177.12791	0.7
179.08618	0.5
179.10692	2.2
181.10123	0.9
181.12305	0.6
183.11742	1.3
185.13249	1.8
187.11267	0.9
187.14841	1.0
193.10172	1.0
194.11176	0.7
194.13016	4.3
195.11745	0.8
195.13733	0.5
196.12476	0.8
197.13324	1.1
207.11847	0.9
207.13837	1.7
208.12357	0.4
209.13329	1.0
211.14856	0.6
213.12767	0.5
217.65695	0.3
221.13309	0.9
223.14935	0.8
233.13184	0.5
235.16989	0.8
239.18146	0.5
249.16409	0.7
249.18651	0.4
251.11894	0.6
251.17973	0.5
257.05536	0.4
263.17789	0.5
263.20166	2.5
272.99057	0.4
274.17087	0.4
277.21835	0.7
281.18970	0.4
291.19656	1.1
319.26364	1.1
347.25912	18.5
365.26947	100.0
366.27307	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	366.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01863	1.0
55.05507	1.6
56.05022	1.2
57.03441	3.6
57.07056	0.3
58.06588	0.7
59.05000	0.4
59.37177	0.3
60.04529	8.3
61.02934	2.2
63.16452	0.3
67.05521	2.0
69.03438	11.0
69.07044	0.5
70.06564	1.0
70.60890	0.5
70.61218	0.7
71.01350	0.9
71.05001	3.1
73.02924	1.9
74.06084	12.0
75.04472	0.6
79.05495	2.1
81.03410	1.7
81.07064	2.9
84.04483	0.6
85.02892	0.6
85.06548	0.6
85.95560	0.3
86.09671	0.7
87.04455	0.7
88.07631	0.4
91.05479	1.6
93.07032	1.5
95.08601	1.5
97.06512	0.4
99.04465	2.5
99.81434	0.4
100.07592	0.4
102.05559	0.4
104.04981	0.4
105.05743	0.4
105.07040	0.9
106.06567	2.5
107.08593	0.4
109.10119	0.6
116.04987	3.2
117.05512	1.0
117.06992	0.4
118.05286	2.5
118.06548	0.8
119.08566	0.6
120.08112	0.7
121.10168	0.6
123.11678	0.5
124.07594	0.7
130.06526	0.6
131.06059	1.6
131.08441	0.4
132.06819	0.5
133.07634	10.6
133.10036	0.3
134.05981	0.4
136.06186	0.7
136.07564	0.3
143.06026	2.3
144.06860	0.5
144.08046	0.5
145.07622	14.4
146.03172	0.5
146.08400	1.0
147.09152	1.3
148.06322	0.5
151.11108	0.5
157.07579	1.6
158.04782	1.0
158.08438	0.6
159.05530	0.4
159.09167	0.9
161.07130	2.8
163.08687	16.3
170.08296	0.5
171.05518	0.9
171.09229	1.6
173.07123	1.8
173.10747	0.6
175.08684	4.6
176.09427	1.0
177.06651	2.6
183.09164	1.5
184.09950	0.4
185.10782	1.3
189.06606	8.2
189.10284	0.4
190.07404	0.6
191.08189	1.0
195.14963	0.3
199.08658	0.4
200.09467	1.8
201.10228	2.6
202.11089	0.8
203.08232	0.7
203.11842	0.5
205.09724	0.7
207.07669	100.0
208.08008	1.1
213.10284	0.9
214.06100	1.5
215.08122	0.9
215.11752	0.9
217.09715	0.7
217.13091	0.3
220.11896	0.7
225.10222	0.3
229.09795	1.2
229.96045	0.3
230.10506	0.5
231.07541	0.3
231.11311	1.4
232.04880	0.6
232.07193	12.9
235.10742	0.7
241.09654	0.6
243.07791	0.4
249.08760	0.5
249.12389	0.9
257.09195	0.4
261.08676	0.6
261.12283	1.6
269.09314	1.0
275.10190	0.4
276.23267	0.9
279.13422	7.7
279.16479	0.4
287.10239	1.1
294.24359	0.6
305.11377	3.2
312.25348	1.4
315.36133	0.4
323.12399	51.7
324.12769	0.8
330.26462	3.0
348.11942	3.9
348.27487	4.2
366.13019	58.5
366.28500	14.7
367.13419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01863	6.6
55.05499	3.4
57.03443	7.0
61.02932	8.6
68.99778	3.3
69.03432	38.9
71.05001	3.7
72.08590	1.3
73.02917	7.0
73.40645	1.4
74.06062	5.6
75.06435	1.9
81.02968	2.2
81.03421	30.3
81.07073	1.8
83.01328	1.7
83.08627	2.2
85.02908	100.0
87.00832	46.7
87.01257	1.0
91.03974	2.0
93.06960	1.3
97.02260	2.2
97.02902	31.8
98.20717	3.5
99.04453	12.7
105.01872	63.0
107.08583	1.6
108.04461	2.8
109.02881	28.1
111.08089	1.5
115.03906	1.8
117.01855	4.1
126.05505	1.8
127.03925	65.2
129.01813	3.6
131.11215	1.3
135.07973	1.7
136.06206	6.9
145.03879	2.2
145.04971	31.4
147.02885	3.0
159.02879	13.9
160.88081	1.2
189.03975	3.5
209.11806	3.6
213.03882	2.5
231.05032	18.0
249.06052	4.4
284.98581	1.5
295.11810	3.5
314.93689	1.5
366.31299	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	366.1765
Annotation	isopentenyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
53.03949	0.3
55.01874	0.5
57.03436	0.5
61.02924	0.8
65.10564	0.2
65.22126	0.2
66.23085	0.2
69.03437	2.8
69.07071	4.4
69.51768	1.6
71.01354	0.2
71.04974	0.4
73.02923	0.5
81.03420	0.8
85.02914	3.4
86.09691	0.3
87.00826	0.5
87.04492	0.5
91.03944	0.2
91.05508	0.2
97.02894	2.1
99.04441	0.4
103.84769	0.2
105.01853	0.8
106.10971	0.2
106.60277	0.2
109.02874	0.8
109.36207	0.2
119.03554	0.9
119.04967	0.5
121.02868	0.8
127.03936	1.1
130.06508	0.5
135.77748	0.2
136.06192	100.0
137.04594	0.7
137.05643	0.3
137.06624	0.5
141.01848	0.5
144.08115	0.3
145.04929	0.3
148.06190	18.7
160.07632	0.4
165.01859	5.9
173.12845	0.7
178.07257	0.5
183.02930	1.0
204.12459	58.1
205.12688	0.9
246.13531	0.3
271.05939	0.8
283.06030	23.8
284.54596	0.2
298.11282	0.3
315.88470	0.2
337.34637	0.3
345.50653	0.2
349.07080	0.4
366.17743	40.8
367.08386	1.2
367.12491	0.3
367.17975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65496	0.4
53.03939	1.2
55.01864	1.3
55.05515	2.9
56.05043	1.9
57.03444	3.5
57.07070	0.5
59.04988	0.7
60.04530	17.6
61.02924	2.9
67.05515	3.7
68.92140	0.4
69.03437	12.1
69.07057	1.3
70.06580	1.6
70.56190	1.2
71.01345	1.6
71.05006	3.2
72.04532	0.4
72.08155	0.7
73.02908	1.2
74.06085	17.1
75.04459	0.6
79.05502	3.3
80.05002	0.7
81.03429	1.9
81.07068	5.0
83.04989	0.9
84.08163	0.9
85.02898	1.3
85.06537	1.2
86.09698	1.2
90.05542	0.4
91.05492	2.8
93.07030	2.0
94.06599	0.5
95.04955	0.4
95.08624	3.3
96.08105	0.5
97.02890	0.8
97.06522	1.0
98.97574	0.7
99.04443	2.5
105.07024	1.3
106.06561	3.1
107.08596	2.1
109.10159	1.5
110.07192	0.6
116.04993	3.3
117.05535	1.2
117.07036	0.5
118.05296	2.8
118.06562	0.8
119.08573	1.2
120.08114	0.7
121.10130	1.2
123.04430	0.4
124.07616	1.2
130.06531	0.8
131.06062	1.2
131.08484	0.7
132.06816	0.7
133.06625	0.5
133.07620	10.5
133.10101	1.3
134.06024	0.9
135.11700	0.7
136.06200	0.6
136.07545	0.8
143.06049	2.1
144.06877	0.7
144.08063	0.9
145.07617	13.7
145.10106	0.5
146.08388	1.3
147.04463	0.5
147.09172	3.4
147.11687	1.0
148.06281	0.8
151.11182	1.3
155.05989	0.6
157.07632	2.0
158.08379	0.8
159.09135	1.2
161.07086	2.4
163.08682	14.2
171.05536	1.2
171.09212	1.0
173.07104	1.5
173.10750	0.5
175.08684	4.3
176.09459	1.2
177.06644	2.7
177.10248	0.6
178.05705	0.6
179.06120	0.5
183.09215	1.2
185.10760	0.8
187.08752	0.5
189.06584	7.0
189.10243	1.2
191.08179	1.3
200.09460	1.5
201.10252	2.5
202.10974	0.7
203.08134	0.6
203.11636	0.6
205.09781	0.7
207.07666	100.0
208.07974	2.2
213.10228	1.1
214.06168	1.6
215.08095	0.8
215.11801	0.9
217.09804	0.7
221.12901	0.5
229.09752	1.2
231.11267	1.0
232.07187	13.5
247.04333	0.4
249.12358	1.3
250.06244	0.8
261.12411	1.4
265.92697	0.4
269.09332	0.7
272.33661	0.4
275.10321	0.7
276.23120	0.7
278.05817	0.5
279.13397	7.4
281.14990	1.4
287.10132	0.9
293.11371	0.5
294.24307	1.4
305.11398	3.1
312.25418	2.8
323.12396	51.7
324.12698	1.5
330.26431	6.3
337.89862	0.4
339.08694	1.3
348.11920	4.2
348.27472	10.6
349.07007	0.5
349.12241	0.4
350.13452	0.6
366.13000	61.8
366.28513	25.0
367.08051	2.3
367.13287	3.0
367.28671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75130	0.3
82.99853	0.4
101.00882	2.8
119.01927	6.4
134.99904	0.6
137.02950	1.2
140.98854	0.3
153.01019	0.2
158.99893	1.6
175.03119	0.4
177.00960	17.5
178.01045	0.6
182.99927	0.6
193.04073	0.4
195.01978	0.3
199.03029	0.2
200.02602	0.3
201.00928	2.2
216.98956	0.4
217.04082	3.0
217.99088	0.2
219.02019	23.2
220.02110	0.9
225.00848	2.4
233.03607	0.2
234.00716	0.3
235.00024	0.4
236.00188	0.3
241.99165	0.4
242.03667	0.2
243.01996	7.9
244.02106	0.3
258.99985	1.2
260.00156	1.5
261.03070	100.0
262.03186	3.6
263.03204	0.6
266.03671	0.3
275.04584	0.4
277.01053	0.7
278.01105	1.0
279.00882	0.4
282.99985	2.4
284.00089	3.7
284.04666	2.0
284.99783	1.0
286.00055	0.2
301.01035	3.0
302.01169	4.5
303.00974	1.5
304.01199	0.3
325.01611	0.2
326.01190	0.4
343.01895	0.7
344.02222	2.3
352.45837	0.2
362.03290	0.6
363.51007	0.2
364.01242	0.7
364.51114	0.3
367.02072	1.0
372.51584	0.2
373.01614	0.3
385.03186	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	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01866	0.5
56.96568	1.0
57.03446	3.4
59.05017	0.5
61.02926	0.7
62.02456	0.6
67.05509	1.0
69.03434	5.1
69.07060	0.7
70.06586	1.3
71.01372	0.6
71.04991	1.5
71.59699	0.8
72.08172	0.5
73.02911	1.5
74.06070	4.2
75.04469	0.4
79.05490	1.5
81.03415	0.8
81.07047	0.9
83.05044	0.5
84.08138	0.9
85.02885	0.8
85.06537	0.6
86.09708	1.1
91.05487	1.0
93.07066	0.5
95.04986	0.7
95.08570	0.6
95.37914	0.4
97.02866	0.5
98.97579	1.0
99.04461	2.1
109.02859	0.4
116.98598	0.6
117.05517	0.7
120.08070	0.9
132.06836	0.9
137.05978	0.5
142.19128	0.5
145.02853	0.5
146.08398	1.0
147.09172	79.8
158.99615	0.6
159.09157	1.0
160.09976	0.6
161.10745	1.5
163.03923	0.6
167.07076	0.7
172.09088	0.4
177.00618	0.5
177.05574	0.6
181.04959	0.9
189.10252	4.2
208.08011	1.3
250.06281	2.9
263.13937	1.1
265.07513	0.7
266.05875	0.5
278.05804	4.0
279.06558	1.1
281.14960	100.0
282.15311	1.3
283.08691	0.8
295.06064	2.6
306.05255	1.4
307.05862	0.5
307.12894	1.3
308.06839	0.5
309.04074	0.5
311.05325	0.4
311.09100	0.5
323.05420	0.9
323.09125	2.3
324.06424	1.4
324.12717	0.5
324.15720	4.5
335.05438	0.8
339.08661	7.4
349.07159	0.4
349.27698	0.7
350.13486	29.8
351.13818	0.6
359.11084	0.4
366.28238	0.4
367.08102	7.4
367.13443	1.7
367.28906	3.5
368.12607	0.5
385.08981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01865	0.8
55.05504	1.2
56.96571	31.3
57.03428	1.8
67.05488	2.2
69.07082	1.0
71.10856	1.3
71.95257	3.5
72.96039	1.7
79.05482	5.2
81.07062	13.4
83.08598	1.1
84.96027	1.7
91.05487	2.4
93.07024	2.5
95.04947	0.9
95.08608	2.7
97.96809	1.7
98.97591	1.8
105.07025	3.1
107.08542	2.1
109.10161	1.7
110.97558	5.0
114.06311	0.8
114.39621	0.8
119.08589	1.5
121.10113	1.3
124.35828	1.0
125.09610	0.9
128.98607	4.1
129.06985	1.0
131.08572	1.5
133.10095	1.7
135.11623	1.0
137.02699	1.7
143.00067	1.3
146.99599	1.0
155.03717	1.3
159.03227	1.1
159.11752	1.2
167.03819	1.2
169.05357	1.0
171.03253	2.0
173.04878	1.0
181.05264	1.1
183.06996	1.1
185.04881	1.9
195.06940	3.2
199.06407	5.5
203.05971	2.4
205.07451	2.0
207.10619	1.1
211.06340	1.9
213.08022	12.8
217.07381	4.2
223.02859	1.6
225.08012	5.1
229.07542	9.4
231.09059	11.4
237.08026	1.9
239.09550	5.1
241.11108	3.6
243.09096	3.1
247.08577	5.7
251.09570	7.0
253.11259	1.3
255.09026	8.2
257.10574	1.3
259.12213	5.2
269.10614	35.2
271.12152	1.0
273.10104	4.6
275.20056	1.8
279.09109	1.9
280.09729	2.1
287.11649	11.6
297.10147	3.2
298.10971	1.6
307.15738	1.4
313.14874	1.6
315.11188	1.7
327.65466	0.8
331.15878	9.3
349.16910	14.5
349.23776	1.2
367.17896	100.0
368.18240	2.3
372.18591	1.5
385.18985	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	367.1884
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
51.18195	0.8
55.01862	1.1
55.05489	1.3
56.77556	0.9
56.96571	25.2
67.05501	1.9
69.07071	1.9
71.95259	3.1
72.96047	2.4
79.05489	3.9
81.07063	11.5
83.04974	0.9
83.08637	1.0
84.96021	1.4
86.00692	0.9
91.05492	1.8
93.07031	2.1
95.04929	1.4
95.08600	1.7
97.96819	2.5
98.97585	1.2
105.07043	1.9
107.08566	2.1
110.97579	3.6
115.00710	1.0
116.39204	0.8
119.08537	1.2
121.10113	1.5
127.05486	0.8
128.98625	2.9
135.08098	0.9
136.36467	0.8
141.02261	1.1
143.00145	1.0
145.01712	1.2
145.02751	1.0
146.99649	1.7
169.01721	1.2
169.05392	1.0
171.03291	2.5
173.04863	1.6
183.03256	1.0
185.04817	2.3
186.71667	1.0
195.06909	1.8
199.06413	3.7
203.05861	1.1
205.07468	2.0
208.50827	1.0
211.06442	1.2
213.07993	11.9
217.07497	4.3
221.08444	1.2
223.02869	0.9
223.08435	1.4
225.07947	4.3
227.05807	0.9
229.07516	7.3
231.09019	10.2
237.08014	2.4
239.09515	5.1
241.11147	5.2
242.08202	1.1
243.09079	3.4
247.08507	3.6
251.09505	8.3
253.11079	1.1
255.09058	8.3
257.10477	3.0
259.12247	4.6
262.08704	1.3
267.08939	1.2
269.10617	35.2
273.10028	4.0
275.20078	1.5
279.09058	2.1
280.09741	2.3
287.11679	12.9
297.10086	3.8
298.10934	1.7
313.14783	1.2
315.11310	1.7
331.15762	10.1
349.16840	16.0
367.17914	100.0
368.18265	2.4
385.19067	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47991	3.4
53.03938	9.2
55.01876	19.7
55.05513	57.7
56.96563	9.2
57.03443	19.1
57.07070	7.0
59.54829	3.8
62.16986	4.0
65.03926	7.2
67.05176	5.1
67.05510	100.0
69.03426	8.7
69.07075	43.2
71.04984	7.6
71.08614	15.9
71.60287	8.7
76.41483	3.6
79.05495	72.3
79.27275	3.9
81.03413	11.6
81.06200	3.2
81.07066	83.4
83.04971	17.3
83.08620	28.3
85.02869	5.9
85.06546	6.6
91.05478	45.0
93.07046	67.0
94.07381	3.9
95.04967	25.3
95.08606	61.0
97.06525	15.2
97.10165	17.2
98.97586	5.9
99.08071	11.4
105.07037	54.1
106.11696	3.7
107.04965	26.7
107.08607	56.8
107.99509	3.8
109.06516	7.9
109.10170	40.0
111.04447	5.4
111.08085	20.3
116.98540	6.6
117.07008	17.4
119.08578	39.5
121.06492	16.3
121.10143	28.9
123.08078	18.7
123.11739	7.2
125.09625	16.4
129.06979	6.8
131.00041	5.1
131.08582	24.6
133.10126	42.0
135.08051	11.9
135.11685	15.8
137.09637	14.2
140.98480	5.8
141.06909	4.1
143.00018	5.1
143.08565	7.5
145.10120	20.3
147.08046	5.8
147.11676	20.5
149.09634	25.8
149.13242	6.0
151.11209	19.4
155.08592	6.1
157.10158	6.9
159.11673	16.3
161.09613	7.5
161.13235	7.2
163.11174	29.8
165.12737	7.9
169.10211	5.0
171.11714	6.7
173.11882	4.8
173.13287	12.8
174.13803	4.2
174.98994	5.9
175.14946	5.1
177.12775	9.2
179.10623	4.2
182.56686	4.2
183.11736	4.7
185.13264	7.3
187.14891	5.7
189.00621	9.8
189.11218	11.3
191.14326	3.6
206.36244	5.0
229.07484	6.5
229.19472	5.2
239.17969	6.4
247.20718	9.1
257.18988	11.0
275.20074	81.5
285.10458	5.0
293.21140	58.6
349.06689	4.3
349.23819	20.4
367.18228	7.4
367.24966	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01880	9.9
55.05513	25.7
56.96556	2.6
57.03440	22.1
57.07080	2.8
59.05007	14.2
65.03940	4.6
67.05505	65.6
69.03429	4.1
69.07072	31.5
71.05000	5.3
71.10966	2.9
73.02902	1.5
73.06570	1.7
79.05492	49.8
79.44731	1.4
81.03433	4.6
81.07060	100.0
83.04987	8.2
83.08627	15.3
85.02873	2.3
85.06541	3.9
91.05488	44.3
93.07053	40.2
94.07355	2.0
95.04968	10.1
95.08608	45.4
95.76331	1.4
97.06538	13.0
97.10164	6.3
98.97581	1.6
99.08088	4.7
101.06039	2.4
105.07040	41.1
107.04964	7.7
107.08596	33.7
109.06525	10.1
109.10161	21.7
111.08106	6.7
111.33338	1.3
113.06008	1.3
114.12508	1.3
116.06257	1.5
117.07011	10.6
117.09136	3.3
119.08582	35.3
121.06513	5.8
121.10146	20.0
123.08062	6.6
123.11707	11.4
123.38105	1.3
125.06009	1.7
125.09629	6.5
127.07611	2.0
129.05478	1.7
129.07011	4.8
131.08588	17.3
133.10138	25.6
133.11093	2.6
135.08070	6.2
135.11700	9.7
137.09636	4.9
137.13286	2.3
139.11127	2.0
143.08559	4.0
145.06474	2.1
145.10138	19.6
146.10489	1.5
147.04376	2.5
147.11696	21.6
149.09621	12.0
149.13261	8.3
151.11169	4.3
155.08537	1.7
157.10150	6.3
159.11714	12.1
161.13261	5.1
163.11197	8.1
163.14851	3.4
165.09251	1.4
165.12747	5.0
167.07059	4.7
169.10095	2.6
171.10214	1.4
171.11726	3.7
173.11983	1.8
173.13286	6.3
175.11214	4.1
177.05527	3.7
177.12746	4.1
179.14307	1.4
183.11713	2.3
185.13304	2.4
189.11200	1.8
193.12216	3.1
195.13829	2.7
199.14844	2.3
219.17445	2.6
229.19695	2.8
239.17961	5.5
247.20650	4.3
251.20128	1.4
257.18951	7.4
269.17572	4.3
275.20078	47.9
285.10092	3.2
286.10358	1.9
291.19312	1.7
293.21027	5.5
307.09674	1.7
331.22791	1.7
335.08929	2.6
346.78204	1.6
349.19919	2.4
349.23788	9.3
350.13983	1.9
350.17599	1.5
367.07779	2.7
367.11664	15.8
367.15756	2.6
367.20755	12.4
367.24866	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17249	2.2
53.03937	6.2
55.01878	16.8
55.05300	3.1
55.05515	34.2
56.96557	5.8
57.03439	19.0
57.07072	3.5
60.52134	2.2
65.03939	2.8
67.05164	3.5
67.05508	65.9
69.03422	3.8
69.06776	2.9
69.07079	34.1
69.49468	2.2
70.52135	7.5
71.04990	5.6
79.05061	3.3
79.05501	60.4
81.03401	3.8
81.07062	100.0
83.04993	12.8
83.08626	16.3
85.02876	4.1
85.06526	6.3
87.44431	2.2
89.90852	2.4
91.04951	4.0
91.05485	46.2
93.07049	47.1
95.04971	13.4
95.08044	3.1
95.08618	46.5
97.06538	21.2
97.10177	8.9
98.21494	2.3
98.97602	4.1
99.08096	4.6
102.98887	2.1
105.07037	44.4
107.04966	15.5
107.08604	37.5
109.06509	9.9
109.10173	24.5
111.04391	2.8
111.08053	8.1
111.13859	2.6
117.07029	11.3
119.08584	36.7
121.06514	5.2
121.10156	21.8
123.08079	6.5
123.11713	7.4
125.09634	10.0
129.06923	3.4
131.08566	16.0
133.10124	25.6
134.05841	2.4
135.08054	5.6
135.11729	13.3
137.09622	5.4
143.08507	5.0
145.10135	17.7
147.11711	22.1
149.09624	16.1
149.13242	8.9
151.11165	5.5
155.10681	3.4
157.10107	5.9
159.11755	13.0
161.09586	2.9
161.13266	8.7
163.11134	8.9
163.14886	2.5
165.12759	3.7
169.10150	3.8
171.10165	5.6
171.11652	3.2
173.13206	5.4
175.11191	4.2
177.12697	4.3
183.11652	2.6
187.11159	3.0
189.11238	7.6
195.13834	2.7
201.12886	2.6
223.13278	2.6
229.19562	4.4
247.20576	5.1
251.20245	2.6
253.17978	2.6
257.19012	9.8
265.21793	2.8
269.17365	2.8
275.20093	55.8
285.63672	8.2
293.21002	7.3
349.23804	19.8
367.17252	4.2
367.24875	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.87278	1.3
55.01871	7.0
55.05514	20.4
56.96561	1.6
57.03434	13.9
57.07079	2.0
62.52857	1.2
65.03943	2.7
65.48679	1.4
67.05164	2.7
67.05508	44.1
69.07073	31.3
69.79481	7.6
71.04991	4.4
74.81070	1.4
79.05047	2.2
79.05495	36.2
81.03404	3.2
81.07060	100.0
83.04986	6.8
83.08619	12.2
85.06528	4.3
87.15300	1.5
90.53092	2.1
91.05488	26.8
93.07050	26.0
95.04981	8.2
95.08610	29.5
97.06525	8.4
97.10175	1.9
99.08092	4.4
105.07045	26.9
107.04957	6.7
107.08608	15.9
109.06530	13.4
109.10163	10.4
111.08072	5.4
117.07023	7.5
119.08597	19.9
121.06494	4.9
121.10139	12.2
123.08044	6.4
123.11703	7.6
125.09633	1.8
129.06998	1.9
131.08574	10.0
133.10120	14.4
135.08009	2.2
135.11693	4.6
137.09633	3.7
143.08548	2.0
145.10121	11.5
147.08043	1.5
147.11707	20.8
149.09628	5.9
149.13206	8.6
151.11176	3.9
155.08649	1.6
157.10092	3.0
159.11743	8.1
161.13126	3.1
163.11191	7.3
165.12794	4.1
173.09587	1.9
173.13251	3.7
175.11151	2.1
177.12766	4.2
179.14307	2.3
183.11681	2.2
183.28499	1.3
185.13202	1.4
193.12320	2.1
195.13847	2.0
219.14091	1.5
229.19556	3.1
239.17924	2.5
247.20515	3.2
257.19067	3.9
275.20059	25.1
293.21106	4.8
349.23706	5.2
360.39841	1.5
367.17752	2.8
367.24841	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.2
55.01881	17.5
55.05262	4.2
55.05515	61.3
56.96562	5.7
57.03426	11.2
57.07076	5.2
59.92397	2.9
67.05511	63.1
69.03433	3.1
69.07069	20.3
70.76102	9.2
71.05003	3.8
79.05499	100.0
81.03428	4.7
81.07061	65.8
83.04993	17.5
83.08619	22.5
85.06570	3.8
91.05484	47.4
93.07049	56.2
95.04993	15.2
95.08624	25.2
97.06549	17.7
97.10181	21.8
105.07034	50.4
107.04964	34.6
107.08599	65.4
109.06538	11.5
109.10160	27.7
111.08060	5.4
117.07005	17.2
119.08591	39.8
121.06495	4.3
121.10130	23.5
123.08105	6.0
123.11715	11.6
125.09641	20.5
129.07019	7.0
131.08557	15.2
133.10130	29.0
135.08061	11.0
135.11714	8.4
137.09642	3.4
143.08546	3.5
145.10129	19.4
147.08067	3.1
147.11674	20.8
149.09630	69.3
149.13260	5.6
153.09061	5.7
157.10130	6.1
159.11674	13.0
161.13268	9.8
163.11180	10.9
163.14815	3.9
169.10135	4.4
169.12297	5.7
171.10191	4.8
173.13257	6.2
175.11153	3.5
177.12820	4.2
180.52438	3.9
183.11601	4.3
187.11307	3.9
189.11261	18.4
191.14366	3.7
209.15349	5.1
227.12808	11.3
229.19510	8.9
239.18083	4.2
245.13850	9.0
257.19022	18.7
275.20053	84.7
293.21063	3.6
349.23746	42.7
367.24835	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01860	5.9
55.05515	29.2
56.96570	1.8
57.03442	11.5
57.07071	1.8
57.97605	1.2
59.04993	1.9
61.02934	9.9
67.05508	29.3
69.03413	4.5
69.07071	25.5
69.82859	6.2
69.83263	2.6
71.04980	3.8
71.08635	28.7
71.69106	1.5
72.29990	1.5
73.02914	2.8
79.05499	22.7
81.03413	5.3
81.07058	29.4
83.04982	6.7
83.08620	9.4
85.02895	8.8
91.03951	5.2
91.05476	10.9
93.07057	17.9
95.04977	7.6
95.08612	14.6
97.02894	4.8
97.06526	5.2
97.10175	14.4
99.04433	2.1
99.08089	18.1
101.98730	1.4
105.07037	11.9
107.04962	4.6
107.08593	14.8
109.06529	4.5
109.10165	9.0
111.08077	3.5
111.11718	1.9
114.36948	1.2
117.06995	3.7
119.08575	7.1
121.06511	4.5
121.10126	7.2
123.08054	2.8
123.11734	2.1
125.09627	10.3
131.00008	1.8
131.08556	3.2
133.06538	1.4
133.10146	7.4
135.08020	2.1
135.11708	5.7
137.09557	2.2
139.11235	2.0
143.08582	1.5
145.10147	4.3
147.11731	3.4
149.13254	3.0
151.11183	4.3
151.46916	1.4
159.11694	2.7
165.12766	3.0
167.10660	3.6
173.13170	1.6
177.12732	4.9
179.10654	1.6
185.32123	1.5
189.11246	5.9
201.45900	1.3
225.18243	1.4
247.20676	2.7
275.20056	18.3
293.21103	100.0
334.15503	2.1
349.17303	1.6
367.18036	2.0
367.24850	31.0
368.25018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89752	3.4
53.03949	9.2
55.01880	24.2
55.05261	3.8
55.05511	58.7
57.03444	28.2
65.03927	5.9
67.05512	72.2
68.12299	3.8
69.06750	4.3
69.07070	42.0
70.99588	8.0
71.04977	9.7
79.05498	75.5
81.03432	9.0
81.06634	5.4
81.07061	74.2
83.04989	33.7
83.08619	37.1
85.02884	9.1
85.06554	7.0
91.05478	45.3
93.07051	71.9
94.10138	3.3
95.04978	62.0
95.08612	49.0
97.06528	24.6
97.10159	15.4
98.97562	7.1
99.04481	19.4
105.07035	44.3
107.04965	26.0
107.08598	63.3
109.06505	12.9
109.10148	25.0
110.72116	3.4
111.04443	41.5
111.08065	15.6
114.35341	3.4
117.07035	21.6
119.08599	32.1
119.80054	3.7
121.06465	10.6
121.10160	38.1
123.08073	9.3
123.11749	5.1
125.09644	19.5
131.08577	23.0
133.10114	23.5
135.08041	16.6
135.11723	18.9
137.09627	6.4
139.11206	5.9
141.07008	4.0
143.08565	4.3
145.10124	30.7
147.08064	6.8
147.11649	17.9
149.09624	49.7
149.13188	3.3
151.11256	6.0
153.09082	3.9
153.12752	7.2
159.11665	18.7
161.09663	4.1
161.13229	8.1
163.11206	36.8
165.12709	6.3
171.10237	3.9
173.11717	4.6
173.13261	4.4
177.12656	7.5
181.12177	5.7
183.11710	4.5
187.11188	5.0
189.11198	12.3
205.12239	10.3
207.13797	5.0
223.13313	45.5
227.12885	4.1
229.19408	7.8
237.14821	7.0
239.18005	6.4
247.20570	6.1
257.18976	12.5
275.20078	100.0
293.21173	25.7
349.23605	12.5
367.24811	38.8
391.48331	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14424	1.5
53.03952	9.2
53.75679	1.7
55.01878	18.2
55.05512	39.0
56.96568	1.8
57.03439	23.3
57.07077	7.5
59.04966	2.2
65.03937	4.5
67.05507	100.0
69.03427	7.6
69.07070	28.5
69.62932	7.4
69.63337	3.9
71.04993	7.5
71.08625	10.4
79.05499	52.6
81.03419	18.1
81.07058	90.8
83.04988	16.8
83.08627	18.1
85.02931	2.6
85.06552	10.5
85.10199	1.7
90.79346	1.9
91.05488	77.6
93.07051	54.5
95.04970	25.6
95.08609	47.3
97.02917	2.5
97.06524	10.5
97.10178	7.0
99.08099	8.9
105.07033	60.9
107.04947	20.4
107.08595	42.2
107.09286	3.3
109.06525	12.0
109.10162	47.5
111.04440	2.9
111.08086	5.5
113.06024	2.0
115.05466	2.1
117.07034	14.2
119.08578	20.5
121.06526	7.0
121.10148	14.8
123.04385	2.0
123.08094	12.3
123.11704	10.7
125.09649	12.1
128.06221	2.2
129.06995	3.8
131.08582	20.1
133.06471	2.1
133.10135	77.8
135.08076	5.6
135.11713	12.3
137.09621	15.6
141.07039	2.1
143.08556	4.9
145.10109	14.5
147.11670	11.8
149.09654	10.6
149.13275	5.6
151.11185	50.5
159.11707	8.1
161.09618	4.4
161.13258	6.2
163.11198	12.4
165.09145	4.2
165.12743	3.9
167.14320	2.1
169.10114	2.7
169.12231	5.7
171.11671	3.0
173.13248	4.9
177.12802	6.4
179.10689	3.4
181.12291	1.9
187.11253	2.3
187.14844	2.3
191.10657	2.6
193.12180	2.0
195.13885	2.2
197.13322	2.3
207.13829	1.9
223.13271	2.2
229.19563	1.9
239.18073	2.4
247.20551	4.2
253.14378	6.4
257.19098	6.1
268.31918	2.0
275.20056	39.3
293.21194	11.7
336.69177	2.1
349.23734	7.6
367.24860	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01868	4.8
55.05518	22.0
56.96544	2.2
57.03453	12.3
57.07072	2.6
65.03928	4.4
67.05164	2.6
67.05510	52.0
69.03426	3.8
69.06717	1.9
69.07078	31.9
70.83662	4.6
71.04985	3.5
71.08656	1.6
79.05504	38.0
81.03419	4.0
81.07063	100.0
83.04988	5.5
83.08646	14.4
85.06551	3.8
91.05488	26.2
93.07052	30.0
95.04980	10.4
95.08607	28.3
97.06537	10.0
97.10188	8.3
98.21502	1.7
99.08115	4.4
105.07040	22.8
107.04935	9.2
107.08601	20.5
109.06524	20.3
109.10181	13.6
111.08086	3.3
117.07022	8.3
119.08593	20.4
121.06530	4.9
121.10158	15.2
123.08064	7.7
123.11708	9.5
125.09665	5.3
125.70615	1.6
129.07050	2.8
131.08597	11.9
133.06493	1.9
133.10149	15.4
135.08075	5.1
135.11716	4.6
137.09641	4.0
143.08597	2.4
145.06470	2.0
145.10143	9.1
147.08054	2.2
147.11705	25.1
149.09589	6.1
149.13255	8.6
151.11235	2.8
157.10152	4.0
159.11719	8.6
161.09610	2.2
161.13226	2.9
163.11183	8.4
163.14851	3.1
165.12798	5.5
171.11664	2.5
173.13290	4.1
175.11162	4.6
177.12686	2.9
183.11810	2.2
189.11232	5.4
189.12790	2.1
206.53761	1.8
229.19609	3.5
236.08647	2.0
239.17961	2.6
247.20645	5.7
257.19006	6.6
273.95535	1.8
274.33807	1.8
275.20081	36.6
293.21143	8.1
331.15933	2.0
349.16788	3.2
349.23825	11.7
367.17725	4.5
367.24878	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	367.2479
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
51.51258	1.0
53.03951	2.0
55.01873	6.4
55.05515	17.0
57.03440	5.5
57.07064	1.7
61.02911	4.2
67.05160	1.5
67.05502	20.7
69.03423	3.2
69.06715	1.5
69.07070	23.6
69.68684	5.7
71.04987	2.2
71.08633	22.6
72.84991	0.9
73.02905	1.2
79.05495	14.2
81.03413	1.8
81.07056	22.1
82.81606	0.9
83.04973	4.1
83.08627	4.8
85.02888	2.8
85.06527	1.1
91.03951	2.8
91.05501	10.0
93.07050	13.2
94.44503	0.9
95.05000	4.8
95.08609	11.3
97.02890	2.4
97.06532	3.4
97.10161	5.7
99.04443	1.3
99.08092	17.1
105.07034	8.3
107.04956	3.5
107.08595	8.7
109.06519	3.0
109.10158	7.8
111.08070	1.7
117.07027	2.8
119.08575	4.3
120.46943	1.1
121.06476	4.2
121.10132	4.4
123.08075	1.9
123.11715	2.2
125.09639	5.8
131.08553	2.9
133.10187	5.7
135.08028	2.4
135.11696	3.4
136.14925	1.2
137.09602	1.8
139.11191	1.8
140.98407	1.1
145.10146	3.7
147.11662	1.4
149.09630	2.8
149.13245	1.9
151.11195	2.9
153.09102	1.2
159.11665	2.5
163.11247	1.3
164.12007	1.4
165.12737	1.4
167.10667	3.4
171.10286	1.2
177.12752	3.9
179.10564	1.0
189.11246	3.1
219.17532	2.6
227.37982	1.0
247.20660	1.7
257.19040	1.4
265.21567	1.8
275.20078	14.4
293.21109	100.0
294.21542	2.8
347.59912	0.9
349.23715	1.5
367.24802	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01876	8.3
55.05513	22.9
56.96568	25.3
57.03444	11.7
57.07082	1.3
61.02925	1.7
65.03915	1.6
67.05167	1.7
67.05509	31.5
69.03419	3.7
69.07068	17.0
71.04983	5.1
71.95243	4.0
72.96027	2.0
77.75036	1.2
79.05499	31.2
81.03417	3.9
81.07062	34.8
83.04988	13.1
83.08624	16.8
84.79090	1.1
85.02905	6.2
85.06534	3.1
85.30325	1.3
86.99950	1.3
91.05485	20.4
93.07052	22.5
95.04978	24.8
95.08611	16.8
97.02918	2.5
97.06531	6.3
97.10188	6.9
97.96782	1.7
98.97585	1.7
99.04469	8.3
103.05483	2.0
105.07034	19.6
107.04952	5.8
107.08606	23.3
109.06505	5.9
109.10157	9.7
110.07163	1.6
110.97574	4.3
111.04450	16.8
111.08081	4.4
113.06014	1.6
115.00713	1.4
116.98646	1.7
117.07013	5.9
119.08575	16.2
121.06522	3.8
121.10146	14.9
123.01195	1.4
123.08080	4.6
123.11672	2.1
125.09661	7.1
128.98621	4.9
129.06996	2.4
131.08569	9.5
133.10141	8.4
135.08086	4.9
135.11690	7.1
137.02638	1.3
137.09605	1.9
139.11189	2.8
143.08549	3.4
145.02837	4.7
145.10146	13.1
147.08063	3.0
147.11699	6.7
149.09645	16.3
149.13283	1.8
151.07628	1.6
151.11227	1.6
153.12729	2.4
155.08595	1.5
157.10100	3.0
159.11736	5.2
161.09636	1.9
161.13214	3.0
163.11198	15.2
165.12750	1.3
169.01709	1.8
169.10069	2.3
171.03273	1.7
173.04846	1.8
173.13290	2.7
177.05518	5.7
177.12741	3.7
181.12242	3.4
183.11761	1.3
185.04913	2.2
187.11214	1.5
189.04428	1.5
189.11284	3.3
191.10608	1.6
193.05521	1.5
195.07001	1.4
195.45280	1.4
199.06444	5.3
203.05873	2.2
205.12285	3.4
211.06363	2.9
213.08052	8.1
217.07466	6.1
223.08391	1.9
223.13280	20.8
225.07947	4.6
227.12624	2.1
229.07506	12.2
229.19598	2.0
231.08971	11.4
239.09518	3.7
239.18007	3.4
241.11086	2.4
243.09123	4.1
247.08594	6.5
251.09615	6.7
255.09047	7.2
257.07178	1.7
257.10507	2.5
257.19000	5.2
259.12125	5.0
269.10651	23.0
273.10205	3.3
275.20093	30.9
279.09015	2.4
280.09857	2.3
283.05957	1.7
283.12314	1.4
285.09933	1.7
287.11615	13.6
292.12360	1.9
293.21124	9.3
297.10153	2.6
315.11209	2.1
331.15860	11.3
335.08972	3.1
349.16760	12.4
349.23700	2.0
367.12167	4.0
367.17911	100.0
367.24792	10.3
368.18417	3.9
385.18976	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
54.88939	2.8
55.05514	20.5
57.07070	9.8
67.05220	3.6
67.05508	42.9
69.03416	8.4
69.07075	23.1
71.04987	6.9
79.05495	40.9
81.07060	55.8
83.04984	5.6
83.08616	9.0
83.13954	3.1
91.05483	58.0
93.07047	75.4
95.04967	33.6
95.08606	59.9
97.06509	13.4
97.10128	3.5
97.37780	3.0
98.21486	9.2
99.08075	3.5
103.05460	6.8
105.06370	5.8
105.07038	90.7
107.08593	53.9
109.06528	18.0
109.07123	3.4
109.10161	37.1
111.08073	6.3
115.05445	6.0
116.06150	4.7
117.07018	20.1
119.08583	100.0
121.06487	12.6
121.10138	52.5
123.08067	6.7
123.11729	17.5
128.06207	10.1
129.06964	20.2
130.07796	7.5
131.07697	4.9
131.08578	56.7
131.09523	5.8
133.10141	60.7
135.08041	15.7
135.11714	17.6
137.09555	5.2
141.06981	7.7
142.07739	13.5
143.08554	40.0
144.09309	11.2
145.06447	4.8
145.09000	6.1
145.10121	61.6
146.10825	3.2
147.08054	12.5
147.11691	16.9
149.09604	12.8
149.13249	6.0
151.11101	4.5
155.08572	12.8
156.09363	17.0
157.10129	53.2
158.10907	9.6
159.08043	6.5
159.11703	40.5
161.09613	39.0
161.13223	8.5
163.11130	8.1
167.08554	7.5
168.09369	5.3
169.10150	22.5
170.10899	5.6
171.11696	25.3
173.09616	8.4
173.13297	27.4
174.31966	3.1
175.11157	7.3
175.14842	12.7
179.08548	11.6
180.09238	3.4
181.10089	10.5
182.10913	7.4
183.11681	23.0
184.12465	5.0
185.09627	5.1
185.13292	14.4
187.11142	6.7
187.14842	14.9
194.10883	8.7
195.11682	9.3
196.12456	5.8
197.13235	20.0
198.14070	4.2
199.14804	14.4
201.12750	6.1
201.16435	5.8
207.11661	5.9
209.13132	19.8
211.14764	12.1
213.12825	3.9
225.16374	6.6
227.14268	13.1
237.16379	4.8
239.14317	3.9
239.17949	6.2
255.17424	8.4
257.19049	5.3
265.19632	2.9
267.17551	4.8
269.19113	4.3
271.20755	3.5
346.78223	3.1
349.24924	3.9
367.26279	15.0
377.69763	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	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03936	2.6
55.01870	2.3
55.05522	16.5
57.03434	2.7
57.07068	5.3
59.04988	1.4
67.05514	23.2
69.03426	2.7
69.06709	2.3
69.07071	25.5
71.04984	2.5
71.08634	13.8
71.20279	2.1
79.05496	11.1
81.07062	29.8
82.07352	1.3
83.04971	3.1
83.08639	10.3
83.18407	1.2
85.06543	4.5
91.05491	9.2
93.07052	14.9
95.04962	2.8
95.08038	1.7
95.08612	25.8
97.06531	4.6
97.10178	5.8
99.08095	12.9
105.07043	10.8
107.08600	15.3
109.06537	9.7
109.10174	13.3
109.21418	1.1
111.08105	5.8
117.06999	2.4
119.08609	10.4
121.06478	3.2
121.10171	11.6
123.08079	30.1
123.11698	3.8
125.06004	3.1
125.09624	2.4
127.07544	1.2
129.07008	1.4
131.08536	3.7
133.10152	12.6
135.08064	5.2
135.11687	7.1
137.09584	3.4
137.13248	3.2
139.07600	1.2
145.10146	5.0
147.11702	5.4
149.01184	1.3
149.09641	3.3
149.13234	3.5
151.11171	2.6
153.12744	6.3
157.10120	2.8
159.11720	3.6
161.09636	1.3
161.13239	3.4
163.11185	2.0
163.14818	2.2
165.12753	2.2
175.11180	1.3
175.14825	2.3
177.12836	1.8
177.16415	1.5
179.14319	34.4
181.12270	2.7
187.14874	1.6
189.16345	2.7
191.14284	3.9
193.15889	1.5
205.15845	2.1
233.19133	1.4
251.20026	11.1
275.20114	2.6
289.84769	1.2
293.21066	12.1
293.28412	5.7
303.26819	13.0
308.26788	1.1
321.27988	6.7
331.26349	45.1
349.27396	100.0
360.44833	1.3
367.18036	1.4
367.22153	1.3
367.29205	2.1
367.33804	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	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	0.4
55.01875	0.4
56.48922	0.4
57.03432	0.4
61.02935	0.7
69.03433	2.7
70.76752	0.7
70.77439	0.4
71.57938	0.4
73.02933	0.5
81.03426	1.0
83.04941	0.3
84.46327	0.3
85.02911	5.7
96.56217	0.3
97.02898	1.5
99.04462	0.6
109.02888	0.7
110.97565	0.4
116.46765	0.4
127.03948	1.1
132.04462	8.8
145.02803	1.1
145.04974	1.4
146.06004	0.8
160.03929	0.8
163.03951	0.6
177.05545	1.4
178.05005	69.3
178.21776	0.3
179.05336	1.0
188.07063	0.7
189.07428	1.4
190.08575	0.4
206.04495	100.0
207.04808	1.3
305.02963	0.3
314.05676	0.4
347.86295	0.3
368.09644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01856	3.8
55.05518	22.7
56.05029	2.5
57.03423	3.9
57.07067	2.0
58.06604	6.4
60.04531	27.2
65.03932	1.6
67.05509	23.0
68.05016	1.0
69.03440	4.8
69.07072	16.3
70.06587	2.1
70.63864	3.1
71.04999	9.8
72.04520	1.3
79.05055	1.2
79.05508	19.0
80.05827	1.0
81.03424	6.2
81.07056	19.2
82.06588	1.5
82.07399	1.1
83.04992	2.7
83.08630	11.2
84.08143	8.6
85.06535	3.2
86.09200	1.9
86.09714	34.8
88.02235	1.2
88.07666	5.5
88.08125	1.1
90.98525	0.9
91.05483	13.8
93.07051	17.7
94.06561	2.3
94.28147	1.1
95.04980	8.9
95.08609	8.7
96.08115	3.6
97.06535	6.9
97.10174	19.3
99.08124	1.1
100.07619	2.1
102.38515	0.9
105.04517	1.0
105.07050	8.9
107.04958	3.8
107.08594	9.7
108.08128	2.7
109.06542	6.9
109.10178	4.9
110.06074	2.2
111.08068	2.4
112.07616	32.8
113.06023	3.4
116.05322	1.3
117.07027	4.5
119.04959	3.7
119.08591	7.0
120.08138	1.6
121.06472	2.2
121.10152	7.9
122.09682	7.6
123.08087	4.3
123.11694	1.1
124.07560	1.3
125.09640	11.6
126.09135	2.2
128.10722	37.2
129.06950	2.0
130.08679	2.9
131.08594	5.3
132.08067	1.4
133.10132	3.5
135.08022	6.2
135.11707	2.5
136.11215	1.8
137.09599	2.2
138.12796	3.9
140.62775	1.2
143.08554	2.1
145.06493	1.9
145.10118	4.2
147.04405	1.8
147.08080	3.3
147.11699	1.7
148.11278	1.7
149.09584	2.5
149.13249	1.8
154.08626	9.8
154.12254	6.5
156.10172	2.1
159.11682	3.4
161.09639	2.0
171.10155	1.1
172.09695	13.7
172.13370	2.4
173.13158	1.1
175.03932	4.2
177.12747	2.8
180.13818	14.6
187.11288	2.0
189.11235	9.2
196.13316	3.1
205.12331	1.3
207.06471	6.9
217.16002	2.9
221.15402	1.9
223.13333	5.1
269.58417	1.1
272.20047	2.4
273.18515	6.7
276.20496	1.2
290.21106	10.6
291.19611	14.0
308.22244	13.2
332.22202	2.1
350.23318	20.5
368.24350	100.0
369.24460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
52.65700	0.6
53.03944	1.6
54.45618	0.6
55.01861	1.4
57.03416	1.3
61.02927	0.8
65.03920	1.2
69.03436	8.0
70.84267	0.8
70.84591	1.3
73.02920	1.1
81.03420	14.1
85.02915	5.8
89.03909	2.1
91.05481	27.3
91.51264	0.7
97.02870	2.1
99.04432	2.1
103.05453	0.9
109.02883	5.2
117.03357	2.2
118.04143	1.0
119.04943	35.0
121.10043	0.6
127.03886	2.6
132.02031	1.1
136.05264	0.7
145.02864	9.0
147.04407	28.8
149.02336	1.3
149.06039	0.8
151.11177	1.0
157.03976	3.1
164.04729	1.0
175.03909	53.3
177.05472	14.1
179.07024	2.2
192.04141	2.3
207.06528	100.0
208.06789	0.6
214.11179	0.9
225.07581	2.8
231.13330	0.8
317.49673	0.7
351.10727	15.9
369.11688	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	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03933	2.2
55.01855	1.2
57.03432	3.8
61.02916	1.5
62.67162	1.1
65.03938	1.5
69.03426	10.0
69.37193	5.6
71.01346	3.5
73.02918	3.5
77.03914	1.4
81.03416	12.8
85.02907	11.2
91.05482	69.8
95.01328	2.2
97.02885	4.5
99.00809	0.8
99.04444	2.7
101.02354	1.5
103.05424	0.8
109.02888	5.5
113.02394	4.9
119.04947	35.4
123.92356	0.7
127.03902	2.3
129.03375	0.9
131.03392	1.8
132.02074	2.0
135.04443	0.9
137.05959	2.7
141.01797	3.4
145.02811	1.1
147.04413	33.1
149.02315	0.8
157.03966	3.2
163.03871	1.0
164.04686	1.4
175.03909	54.4
179.07059	1.9
192.04221	2.1
193.08598	9.0
207.06528	100.0
208.06992	0.9
215.05396	1.2
225.07654	1.7
235.09698	1.6
286.55615	0.8
351.10767	12.9
356.77945	0.8
369.11816	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	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03947	2.4
57.03429	1.6
65.03933	1.6
69.03431	7.9
69.28041	0.5
69.59761	3.5
73.02898	0.6
77.03915	0.9
78.46045	0.5
81.03423	17.9
85.02922	5.2
89.03925	0.8
91.05489	23.3
95.04925	0.5
97.02896	1.4
99.04458	2.0
103.05450	0.9
105.03346	0.6
106.27610	0.5
109.02888	5.9
116.01401	0.5
117.03346	0.7
118.04159	0.5
119.04949	38.0
127.03920	3.2
131.04878	0.6
132.02069	1.9
133.02892	0.5
136.05243	0.6
145.02884	2.0
147.04419	30.4
149.02353	1.3
150.17014	0.5
157.03966	4.0
160.01526	0.8
164.04665	1.4
175.03918	52.5
176.04387	0.7
177.05505	2.7
179.07043	2.1
192.04181	1.8
207.06540	100.0
208.06927	1.2
225.07600	1.9
259.14413	0.5
266.58292	0.5
319.12573	0.5
351.10760	18.1
369.11844	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
54.94268	1.6
57.90310	1.9
69.03442	1.8
70.83089	3.7
70.83456	1.6
85.02892	2.0
89.03919	8.6
91.05473	3.0
117.03384	28.5
119.04936	5.3
134.03604	2.2
145.02844	62.1
147.04419	3.8
149.06004	8.8
175.03900	7.2
177.05472	100.0
207.06573	9.9
303.31592	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	1.1
57.03433	1.4
60.53692	0.6
61.02928	1.2
65.03932	1.5
68.93829	0.6
69.03437	7.9
69.56380	0.6
69.56906	1.4
69.57323	3.5
71.01314	0.7
71.55948	0.6
73.02910	1.0
77.03931	0.9
81.02963	1.0
81.03420	13.0
81.45918	0.7
83.04986	0.8
85.02911	6.9
86.09677	0.8
89.03909	1.9
91.00427	0.6
91.05488	28.2
95.04974	0.9
97.02876	2.2
99.04433	2.2
103.05455	0.8
106.62799	0.6
107.04935	1.0
109.02884	5.3
117.03365	4.5
119.04950	36.1
121.06487	0.6
127.03903	3.0
129.03366	0.6
132.02080	1.7
145.02852	10.4
147.04419	29.5
149.02409	1.1
149.06017	1.3
149.09605	1.2
151.11191	1.3
155.58516	0.6
157.03969	3.0
163.11147	0.9
164.04701	1.2
175.03922	49.8
177.05486	15.9
178.05806	0.7
179.07042	2.4
189.12755	1.4
191.14290	1.1
192.04189	1.8
207.06540	100.0
207.13872	1.9
208.06911	1.2
225.07594	2.3
230.41136	0.6
265.08499	0.8
272.78415	0.6
351.10757	13.6
369.11505	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	369.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05518	8.5
56.96569	44.1
57.03426	1.3
65.03939	1.4
67.05487	3.5
69.03434	4.8
69.07063	2.0
70.03157	3.0
71.04981	1.0
71.08623	1.1
71.95274	5.4
72.96030	2.5
74.97616	1.5
78.02293	0.8
79.05502	1.9
81.03410	2.9
81.07044	3.1
83.08621	4.6
84.96041	1.7
85.02891	1.8
91.05486	13.5
93.07038	2.2
94.08819	0.9
95.08591	2.5
97.02921	0.9
97.96815	1.2
98.97569	1.3
103.05453	1.0
105.00159	1.9
105.07012	2.4
107.04955	0.9
107.08591	1.8
108.73338	1.0
109.02876	2.1
109.10136	1.6
110.97556	5.6
112.45701	0.7
115.00712	1.6
119.01679	1.2
119.04950	18.9
119.08601	2.1
121.06521	1.0
121.10132	1.1
123.01186	1.5
123.08051	0.7
124.99107	1.2
127.00687	1.2
127.03870	1.4
128.98659	4.2
131.04906	1.4
131.08580	0.9
132.02078	0.9
135.08118	0.8
137.02719	3.0
141.02213	2.2
143.00117	0.9
143.08578	0.8
145.02831	1.0
146.99643	2.2
147.04414	14.1
155.03796	2.7
157.01752	0.8
157.03999	2.2
159.03322	1.1
161.04877	0.9
164.04646	0.8
167.03696	1.4
169.01724	1.5
171.03265	2.3
171.06888	1.1
173.04829	2.0
175.02481	1.4
175.03929	23.4
176.04326	0.9
177.05505	2.3
179.07037	2.3
181.05264	1.2
183.03377	1.3
183.06871	0.8
184.45793	0.8
185.04813	2.9
187.02812	0.8
189.04256	1.7
189.07932	1.4
195.06888	1.5
199.06393	6.4
201.07974	1.5
203.05893	3.0
207.06538	51.2
211.06473	3.1
213.07994	17.6
217.05574	1.2
217.07474	6.9
221.08401	1.0
223.10088	1.4
225.07944	7.3
225.11569	0.8
229.07516	13.2
231.09048	16.4
236.09647	1.6
237.08006	3.6
239.05745	0.8
239.09480	6.3
241.11099	13.3
243.08963	4.5
247.08559	6.5
251.09561	10.2
253.10982	0.9
255.09021	5.2
257.10669	4.0
259.12161	11.1
261.10117	1.2
264.12802	0.9
267.08990	1.0
269.10620	49.9
273.10104	2.0
281.10782	0.9
287.11691	17.2
292.12125	3.6
300.63315	0.9
309.11267	1.1
315.16208	2.1
333.17389	22.0
337.10617	2.5
351.11584	4.9
351.18442	36.8
369.19489	100.0
374.19965	2.6
386.95529	0.8
387.20557	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92281	2.1
53.03941	7.0
55.01864	9.1
55.05262	2.8
55.05516	45.1
56.96554	5.4
57.03443	23.3
57.07061	10.2
57.97280	2.3
58.86729	2.4
60.85875	2.2
67.05504	91.5
67.05865	4.3
69.03416	5.3
69.06713	3.3
69.07072	38.6
69.89742	13.4
71.04980	8.9
71.08640	37.4
79.05492	51.7
79.34889	2.6
81.03423	21.9
81.07058	77.4
83.04985	19.0
83.08617	19.4
85.02900	4.6
85.06542	8.5
85.10194	19.8
91.05486	41.3
93.07049	54.0
95.04971	30.9
95.08610	43.5
97.06520	9.1
97.10174	18.0
99.08092	25.8
105.07034	39.9
107.04955	9.2
107.08601	41.6
109.06513	9.7
109.10162	40.3
111.08070	6.0
113.09634	30.5
117.06997	8.3
119.04951	4.6
119.08600	21.6
121.06555	3.4
121.10156	18.7
123.08082	5.5
123.11694	8.3
125.09630	15.5
129.07014	5.3
131.08571	10.6
133.10139	28.2
135.07999	3.5
135.11700	13.2
139.11176	2.9
143.08521	3.8
145.10126	10.0
147.04424	5.3
147.11755	16.3
149.09605	7.1
149.13255	13.2
151.11183	41.5
151.82909	2.3
152.11646	2.5
153.09164	2.7
153.12804	4.2
157.10126	3.8
159.11626	5.8
161.09589	3.2
161.13266	16.3
163.11188	10.8
163.14714	3.2
165.12749	39.0
169.12231	7.2
171.10312	4.4
171.11713	6.1
172.94446	3.7
173.11726	12.1
173.13177	4.5
175.03978	3.2
175.11137	4.7
175.14836	3.8
179.14331	11.2
181.12340	3.0
185.13326	6.2
189.11230	12.8
195.13902	2.7
207.06593	13.8
207.13818	4.5
227.12756	7.7
234.06969	3.1
241.19511	6.3
245.13934	6.8
248.47495	2.6
253.17986	7.1
258.37857	2.8
259.20544	11.3
269.17404	10.5
277.21603	100.0
278.21890	2.8
295.22681	94.7
351.25281	23.6
369.26434	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01881	11.0
55.05516	64.5
56.96558	3.1
57.03177	2.3
57.03438	26.4
57.07060	7.2
65.03941	3.5
67.05510	69.6
69.03445	4.1
69.07068	31.7
69.82634	8.5
71.01397	1.7
71.04980	5.2
71.08632	43.2
79.05054	3.1
79.05495	42.7
81.03404	6.6
81.07061	100.0
83.04990	10.3
83.08627	53.1
83.30360	1.7
83.72018	1.7
85.06544	6.4
85.10156	7.4
91.05483	41.1
93.07054	47.7
95.04974	11.6
95.08044	2.7
95.08613	45.5
95.09220	2.6
97.02866	1.8
97.05979	1.8
97.06540	17.7
97.10162	8.1
98.20740	3.1
99.07475	2.2
99.08103	35.0
103.05485	2.0
105.06362	2.9
105.07042	39.2
107.04940	3.2
107.07932	2.7
107.08601	25.7
109.06522	10.3
109.10170	19.2
111.08091	24.3
113.09627	6.9
115.32202	1.7
117.07027	5.1
119.04948	3.7
119.08589	27.0
121.10138	24.3
123.08055	4.7
123.11715	14.2
125.09602	4.0
129.07002	6.8
131.08594	8.5
133.09245	1.8
133.10156	25.1
135.11697	11.4
137.09592	4.8
139.11177	7.9
143.08554	3.0
145.10144	8.7
147.04385	2.8
147.11700	42.1
149.09592	6.0
149.13264	16.8
151.11185	15.3
153.12732	2.2
157.10135	7.9
159.11687	7.6
161.13286	12.6
163.11191	5.7
163.14778	3.9
165.12781	25.5
167.14323	5.3
171.11716	5.1
172.96947	1.6
173.11804	2.6
173.13353	2.1
175.03947	4.7
175.11153	5.0
175.14784	4.0
177.12727	2.8
179.14314	11.4
185.13226	2.0
189.12787	2.1
190.95332	1.9
193.12236	2.7
195.13840	2.1
199.14899	1.9
207.06493	10.6
207.13736	2.3
229.07520	3.0
229.14165	2.5
231.21082	5.3
232.96484	3.5
241.19553	5.1
249.22125	7.4
259.20618	12.1
276.20581	3.6
277.21661	62.3
295.22711	11.9
342.75296	2.0
351.18628	2.4
351.25323	10.0
369.12976	2.2
369.26431	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.7
55.01871	5.4
55.05519	21.2
57.07071	4.4
67.05170	3.2
67.05508	54.5
69.07063	35.7
70.31750	12.3
71.08612	5.6
71.57799	3.0
77.00153	3.4
79.05491	39.6
79.57571	3.3
81.02973	4.1
81.03420	58.4
81.07057	45.0
83.04996	14.6
83.08625	9.7
85.06551	3.5
91.05476	25.1
93.07043	35.0
95.04974	42.6
95.08617	25.1
97.06562	3.8
97.10154	6.3
99.04526	3.1
99.08058	4.3
105.07019	21.2
107.08589	24.6
109.06522	7.0
109.10160	20.0
111.08097	5.5
117.06996	5.5
119.05013	2.9
119.08595	16.1
121.10153	14.5
123.08125	4.0
123.11691	8.0
125.09620	12.7
133.10127	14.1
135.08127	3.2
135.11707	9.1
145.10086	6.6
147.11693	13.6
149.13243	5.4
151.11188	41.5
153.09123	3.7
157.10178	3.8
161.13263	10.5
163.14796	3.7
165.12753	9.7
170.02054	2.9
171.10257	3.9
171.11752	5.5
175.11214	4.1
175.14877	6.7
179.14330	5.3
185.13255	3.7
189.12888	4.9
190.95454	3.8
207.06508	5.4
231.21059	8.7
233.56575	3.6
241.19525	5.5
249.22073	5.0
259.20505	6.9
277.18750	6.6
277.21646	100.0
351.25278	45.2
369.24161	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01868	3.3
55.05513	19.0
56.96570	1.6
57.03446	17.1
57.07084	12.0
60.38981	1.2
60.43188	1.7
67.05512	33.9
69.03432	3.1
69.07072	18.8
71.04986	5.1
71.08635	3.0
71.10544	2.7
77.65180	1.3
79.05503	19.6
81.03426	8.1
81.07064	39.9
83.04990	6.6
83.08636	6.7
85.02905	5.1
85.06541	3.8
85.10188	24.7
91.05486	18.6
91.06008	2.2
93.07050	20.3
95.04983	11.8
95.08618	18.3
97.06518	5.0
97.10160	5.7
99.08093	3.6
105.07027	16.7
107.04970	5.4
107.08600	16.7
109.06516	5.8
109.10165	30.8
113.05907	1.7
113.09653	29.2
117.07008	2.1
119.04899	1.6
119.08552	7.7
121.10161	9.9
123.08076	5.6
123.11727	4.7
125.09625	2.8
131.08585	5.6
133.10156	14.5
135.11729	2.0
141.12776	1.4
145.10123	2.4
147.11693	6.4
149.09627	6.3
149.13232	1.8
151.11200	10.2
153.12738	2.5
157.10167	1.9
161.13275	4.1
163.11206	5.2
165.11397	2.1
165.12770	30.5
167.14333	1.9
169.12267	6.5
171.11711	1.8
173.11743	2.3
175.03928	1.6
175.11172	2.1
179.14330	3.8
189.11276	2.0
207.06548	4.1
207.13824	2.8
215.58261	1.3
224.50073	1.5
231.21022	1.6
249.22054	2.1
259.20593	4.6
277.21637	65.7
295.22696	100.0
296.22827	1.8
351.25146	3.3
353.87042	1.4
369.26468	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
53.55818	2.0
55.01888	22.8
55.05519	68.8
55.86422	2.1
56.96575	3.3
57.03447	27.4
57.07077	9.7
59.09597	2.1
62.00597	2.3
65.03954	2.6
65.17801	2.2
67.05513	72.9
69.03421	3.7
69.07072	31.1
69.83639	12.2
71.05005	6.0
71.08637	50.4
77.88565	1.9
79.05495	36.0
81.03426	8.1
81.07064	100.0
83.05001	11.2
83.08628	49.6
85.02930	3.4
85.06541	6.7
85.10194	8.1
91.05486	51.6
93.07052	46.1
95.04974	16.6
95.08617	51.7
97.06538	21.1
97.10178	4.0
98.21399	2.7
99.08099	40.7
105.07035	38.9
107.04975	5.2
107.08604	26.6
108.87537	2.2
109.06539	10.0
109.10165	17.8
111.08091	26.6
113.09649	16.7
117.07020	5.5
119.08590	27.5
120.09055	2.0
121.10163	20.5
123.08072	7.5
123.11720	13.5
125.09616	3.7
129.07025	7.1
131.08597	8.6
133.10144	26.8
135.08096	2.5
135.11684	13.4
137.09636	3.4
137.13344	2.9
139.11189	9.2
143.08562	3.1
145.10126	9.6
147.11711	44.2
149.09656	7.7
149.13281	19.1
151.11218	19.7
151.61308	1.9
153.12773	4.4
155.10629	2.5
157.10138	8.7
159.11763	5.8
161.09525	4.1
161.13245	14.5
163.11237	7.4
165.12791	32.7
167.14351	3.8
171.11749	5.1
172.94418	2.5
173.13254	3.6
175.03999	4.5
175.11227	7.6
175.14792	4.7
177.12750	2.5
179.14330	12.0
189.12799	4.3
193.12193	3.0
195.13725	2.3
207.06548	7.4
207.13823	3.3
219.11983	2.0
221.15390	3.0
222.11787	2.6
229.07491	2.4
231.21034	2.9
232.96609	3.5
241.19548	4.3
246.09706	2.1
247.08421	2.3
249.22231	5.0
259.20758	12.7
277.21655	74.8
295.22592	15.9
345.65948	2.2
351.18634	4.1
351.25449	20.9
355.52362	2.0
369.19299	3.6
369.26428	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44741	3.4
53.03946	6.8
55.01875	7.2
55.05519	42.1
57.03444	41.9
57.07069	10.4
62.53360	3.8
67.05509	100.0
69.03431	3.6
69.07061	29.6
69.24783	25.5
69.25206	12.9
71.04992	9.2
71.08636	5.9
79.05502	87.2
81.07061	81.2
83.04996	7.3
83.08620	24.2
85.06529	8.5
91.05481	56.9
93.07049	87.0
95.04959	13.0
95.08614	79.1
97.06544	13.0
97.10168	19.4
99.08092	8.9
105.04456	4.6
105.07041	56.7
107.08604	74.5
109.06525	8.7
109.10158	59.3
110.50478	3.5
111.08086	11.0
117.07030	17.3
119.08584	42.3
121.10146	54.8
123.08076	12.1
123.11706	9.8
125.09628	12.1
129.06963	5.5
131.07059	9.7
131.08574	29.7
133.10117	40.1
135.11710	45.5
137.09645	10.7
137.13309	3.8
143.08545	9.8
145.10147	26.4
147.11740	23.9
149.09639	7.3
149.13301	22.4
151.11201	5.7
153.12752	5.5
157.10178	9.0
159.11644	27.7
161.13213	17.5
163.11166	6.2
163.14873	5.1
165.12755	4.2
169.10069	4.5
171.11751	11.6
173.11804	5.0
173.13260	11.0
175.14853	8.7
177.12849	6.6
179.14328	8.7
181.19485	3.2
185.13248	16.2
187.14832	22.2
189.11201	10.2
199.14836	5.5
201.16374	8.4
203.17937	6.0
205.15927	21.3
207.06479	8.6
219.17589	3.9
221.19026	10.5
227.12860	5.3
241.19580	15.0
250.97411	4.9
259.20673	31.6
267.22656	3.9
277.21640	69.0
295.22699	7.5
351.25354	48.3
354.38177	3.7
369.23730	6.0
369.27710	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
53.09362	2.6
53.67482	2.2
55.01868	7.4
55.05298	2.6
55.05516	31.9
56.96551	6.1
57.03437	42.8
57.07075	3.8
57.29487	2.3
59.16777	2.9
65.03933	7.6
67.05166	5.2
67.05508	80.0
68.62344	2.6
69.03418	8.9
69.06757	3.1
69.07076	30.8
70.83276	5.4
71.04688	2.5
71.05002	28.4
77.03960	2.9
79.05499	65.0
81.03402	9.8
81.07062	100.0
83.04993	5.6
83.08620	16.5
85.02882	3.7
85.06538	6.1
89.06023	2.7
91.04955	4.9
91.05484	67.7
93.07047	74.1
95.04952	11.7
95.08612	74.2
96.04225	2.7
97.06541	8.7
97.10159	5.6
99.04450	3.7
99.08096	6.4
100.25197	2.5
101.88403	2.5
105.07036	36.2
107.04974	3.8
107.08602	51.5
109.06516	8.7
109.10155	35.6
111.08092	8.8
117.07009	10.3
119.04952	28.0
119.08588	32.9
121.10150	37.1
123.08084	6.5
123.11710	9.7
125.09622	4.3
127.03925	3.5
129.06984	4.1
131.08594	21.9
133.10162	21.7
135.08139	4.2
135.11693	24.2
137.09602	6.2
143.08575	6.1
144.42468	2.7
145.02806	3.4
145.10121	14.7
147.04427	28.7
147.07990	3.1
147.11667	17.9
149.09671	3.0
149.13252	15.2
151.11198	4.3
157.10097	4.3
159.10402	2.3
159.11687	11.5
161.13269	13.0
163.11186	4.5
163.14836	5.1
165.12744	5.0
167.07056	3.8
171.11737	5.8
172.94360	4.1
173.11829	3.1
173.13263	11.9
175.03896	48.9
175.14796	7.2
177.05447	4.7
183.11615	2.8
185.13242	4.5
187.14841	10.0
189.12779	5.0
189.16370	4.3
190.95407	7.5
191.14389	6.8
201.16359	4.0
205.15788	4.3
207.06523	84.6
207.17477	2.9
229.07420	3.0
232.96497	5.0
241.19594	3.1
249.09267	2.6
250.97539	3.4
259.20587	12.4
277.21661	22.3
300.87982	2.7
311.08957	3.5
337.10596	4.4
351.10703	5.7
351.19101	2.6
351.25156	9.3
351.73285	2.9
365.16779	3.0
369.12979	10.0
369.18915	3.0
369.26740	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01876	7.1
55.05506	34.3
57.03437	5.8
57.07073	10.3
59.78332	5.5
67.05508	88.9
69.07066	27.5
70.10780	21.0
71.08638	44.1
79.05499	57.5
81.03437	10.9
81.07063	86.4
83.04995	17.8
83.08622	18.3
85.06534	11.3
91.05481	48.3
91.25195	5.9
93.07056	85.7
95.08611	58.9
97.06546	10.4
97.10178	14.6
99.08108	33.6
105.07027	31.0
107.04953	10.6
107.08590	52.6
109.10155	46.8
111.08109	7.2
117.07008	14.1
119.08610	31.8
121.10136	36.1
123.11691	7.6
125.09623	13.8
129.06976	5.6
131.08549	11.4
133.10138	21.7
135.08119	10.0
135.11691	59.5
143.31262	5.9
145.10118	7.0
147.11707	5.9
149.13268	20.2
151.11180	14.0
154.63638	4.9
159.11670	11.8
160.28864	5.7
161.13252	12.7
163.11113	5.4
168.80373	4.6
171.11635	8.5
175.14856	8.9
177.12732	5.4
179.14331	100.0
184.51085	5.8
185.13292	7.4
189.11221	11.5
206.48943	5.7
207.06523	8.1
227.12808	8.8
227.36375	4.9
259.20615	19.1
277.21634	76.5
351.25308	57.3
369.23758	12.7
381.60461	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.2
57.06823	3.5
57.07080	64.6
67.05494	2.6
69.03441	10.9
70.06609	5.2
70.39637	5.0
70.40019	7.4
71.04956	2.8
73.02912	4.6
79.05505	2.0
81.03413	6.5
85.02902	17.4
85.06548	54.3
91.05466	10.3
92.05812	7.5
95.01321	7.4
95.04971	3.9
97.02895	5.9
98.20824	3.2
98.21371	5.0
98.97578	6.0
99.04415	3.1
103.07595	6.6
104.82984	2.2
109.02848	3.7
110.07116	2.1
111.04453	2.2
113.02349	4.5
119.04950	10.5
120.05275	6.2
124.07579	4.0
133.02849	4.8
141.01872	13.3
147.04404	9.6
148.04758	9.8
151.03870	2.4
152.07133	2.7
159.10179	100.0
165.07846	3.4
175.03931	13.5
176.04257	18.2
177.05533	2.5
177.11243	59.5
179.03447	9.5
179.06779	2.3
180.06554	6.8
194.06952	4.7
207.06538	24.1
208.06866	38.3
208.09683	4.5
214.17088	2.6
352.11194	6.5
370.14041	3.1
371.17072	12.7
372.62003	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33123	0.7
60.62542	0.7
65.13802	0.8
69.03444	1.1
69.91475	4.7
71.04984	1.3
76.22090	0.8
81.07085	1.4
85.02896	1.2
91.05476	7.0
93.07014	1.1
105.07031	1.5
107.04948	1.6
119.04927	8.1
122.31696	1.0
131.08519	1.4
133.10123	3.8
134.00725	0.9
136.03946	2.3
137.06030	1.4
147.04411	36.1
153.05522	1.3
156.05453	0.8
162.05569	1.0
163.04056	1.0
167.07045	6.2
173.13333	1.8
175.03961	0.8
175.07507	0.9
179.08191	1.2
191.14297	2.4
209.07069	1.1
217.08658	1.7
264.11194	1.0
271.04071	2.3
285.13107	4.1
307.09497	1.1
327.14175	23.9
339.12338	1.6
353.14059	1.1
371.13135	100.0
372.13373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01859	7.4
55.05502	3.2
57.07064	5.1
61.02946	2.3
65.03921	4.7
67.05498	9.3
69.03436	22.3
69.07050	6.3
69.62146	4.1
69.62447	15.4
70.06557	2.3
71.04977	2.4
72.50581	2.2
73.04726	2.6
75.05698	2.2
76.18178	2.1
78.04677	3.6
79.05500	15.5
81.03405	5.0
81.07057	8.1
83.04967	12.9
84.08117	3.1
85.02909	18.6
85.06552	2.6
86.09707	5.2
87.04442	2.6
91.05461	14.1
93.07067	10.7
95.04974	6.3
95.08609	11.3
97.02876	9.2
97.06528	4.0
98.97565	3.6
99.04418	4.7
103.05463	15.5
104.06246	2.9
105.07034	50.8
107.04956	13.3
107.08601	20.5
109.02865	2.8
109.06519	6.6
109.10194	5.6
111.08083	8.3
115.05442	9.1
118.04153	4.3
119.04900	6.2
119.08557	4.7
121.02865	8.4
121.06502	7.7
121.10138	10.6
123.04443	5.5
123.08064	4.9
123.11729	3.1
125.09640	31.5
127.03909	7.4
131.04938	6.6
131.08556	6.9
132.05742	4.4
133.06512	38.7
133.10149	16.0
135.04405	10.5
135.08035	18.6
135.11649	5.7
136.04712	2.9
137.05977	7.0
143.06018	3.9
145.06471	4.7
145.10071	3.8
147.04408	4.9
147.11644	4.2
149.05998	18.7
149.09633	15.4
149.13231	6.0
150.10425	2.6
151.03841	4.2
151.11198	4.7
153.09103	8.1
156.05728	2.7
158.10945	2.8
160.05222	4.7
160.07527	2.3
160.26521	2.4
160.43687	2.3
161.05991	28.1
163.03871	5.2
163.11201	7.8
163.14828	5.8
165.05579	2.6
167.07036	26.7
171.35068	2.3
173.13263	26.0
175.03905	2.8
176.11897	2.6
177.05469	5.0
178.06171	3.2
181.04938	6.5
181.08603	10.1
191.07047	5.6
191.14316	89.9
192.07855	2.5
193.08609	100.0
194.08951	2.8
202.07861	3.0
205.06429	2.9
207.06491	4.7
208.06908	2.5
208.13295	8.2
209.08087	7.8
209.13635	9.6
209.15370	86.2
217.08618	8.0
219.08035	7.9
221.06078	4.8
233.09828	2.7
235.07538	5.7
236.08264	4.0
247.07629	3.5
249.09006	4.6
261.09161	3.6
263.06934	4.2
264.07724	5.3
265.08676	3.6
277.08664	2.7
279.10199	6.5
291.10156	2.5
300.10022	3.0
307.09756	4.8
309.11111	6.5
311.12772	2.5
325.65256	2.3
339.12457	11.3
353.15601	3.0
353.19888	3.5
371.12656	3.9
371.16290	24.5
371.20810	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26425	1.0
53.03940	2.0
55.01865	2.5
55.05500	2.9
57.03431	2.1
57.07044	2.3
60.66382	0.8
61.02925	1.5
65.03929	1.7
67.05494	3.8
67.44794	0.8
69.03073	1.0
69.03433	19.2
69.07059	3.5
69.55096	3.5
69.55506	2.4
70.06586	1.2
71.04976	1.8
73.02903	1.6
79.05490	6.1
81.03409	3.1
81.07060	5.6
83.04983	10.0
83.08646	1.4
84.08135	1.0
85.02901	10.2
85.06528	3.9
86.09688	1.5
91.05486	6.6
93.07057	6.2
95.04962	3.5
95.08612	10.8
97.02888	5.0
97.06504	3.3
98.97643	0.9
99.08078	0.9
103.05470	4.1
104.06208	1.1
105.07037	20.4
107.04955	3.3
107.08596	19.4
109.02876	1.9
109.06532	8.4
109.10142	3.9
109.43742	1.0
111.08105	9.0
115.05454	4.5
117.07007	1.4
119.04948	1.8
119.08591	4.7
121.02848	1.1
121.06503	4.7
121.10149	12.6
123.04440	1.4
123.08055	3.6
123.11699	3.9
124.05216	1.0
125.09640	32.5
125.27590	1.1
127.03901	4.0
131.04964	1.1
131.08575	8.8
132.05710	1.3
133.06508	9.7
133.10136	18.8
135.08058	17.8
135.11696	6.7
137.09621	1.4
143.08543	1.8
145.06461	1.1
145.10175	5.2
147.04443	1.1
147.11714	4.1
149.06004	6.4
149.09618	15.1
149.13257	4.1
150.10321	1.8
151.03860	1.3
151.11189	4.1
153.09113	10.8
158.10901	4.8
159.08063	1.1
161.05972	10.3
161.09624	1.3
161.13307	1.0
163.11200	8.6
163.14786	4.9
165.12700	2.5
167.07051	9.2
173.13269	22.6
175.03998	1.4
176.11964	2.8
177.05498	1.5
178.06291	0.9
181.05003	1.8
181.08592	4.0
191.07021	1.2
191.14311	100.0
192.14670	1.8
193.08611	27.5
207.06508	3.5
208.06824	1.7
209.08118	2.9
209.15379	99.2
210.15620	2.1
217.08510	1.7
219.08118	1.2
234.06825	1.1
236.08337	1.5
247.07458	1.3
249.05489	1.1
261.09232	1.1
264.07889	1.1
279.10071	2.0
281.11725	1.0
307.09900	1.0
311.12784	1.8
323.12378	1.0
339.12192	2.6
340.13153	1.2
353.19742	3.6
371.15475	5.4
371.20657	20.9
372.14771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.99454	0.9
55.01873	1.3
55.05508	2.4
55.70430	0.8
57.03424	2.3
57.07068	2.5
62.53543	0.9
67.05492	3.5
69.03071	1.2
69.03432	16.1
69.07054	3.7
70.06631	0.9
70.83058	1.4
70.83402	1.9
71.04987	1.1
73.02909	1.1
79.05481	3.0
81.03429	2.0
81.07038	5.4
83.04975	10.6
83.08608	1.9
85.02911	6.3
85.06540	3.0
89.06030	2.4
90.55867	0.8
91.05479	5.8
93.07046	5.9
95.04935	1.8
95.08617	9.8
97.02888	2.6
99.04436	0.9
99.08101	1.1
105.07010	3.5
107.04955	1.1
107.08592	16.5
109.02803	0.9
109.06526	7.4
109.10152	3.1
111.08082	8.3
119.08607	4.5
121.06466	1.0
121.10162	12.6
123.08039	3.5
123.11698	3.1
125.09628	31.9
127.03923	4.2
131.08534	5.9
133.10127	9.7
135.08054	20.9
135.11711	5.1
137.06047	1.8
137.09630	1.4
143.08540	1.5
145.04950	1.3
145.10120	4.2
147.11642	2.8
149.09622	14.4
149.10732	1.5
149.13257	5.7
150.10371	2.4
151.11174	0.9
153.09135	7.5
158.10944	3.4
161.09618	1.9
163.11179	6.9
163.14835	4.5
165.12753	1.4
167.06985	1.5
167.10649	1.8
173.13275	23.0
176.11969	2.6
182.96381	0.9
189.12753	1.0
191.14310	99.7
192.14665	1.7
207.06580	1.5
209.15367	100.0
210.15678	2.2
233.15512	1.0
235.07442	1.2
339.11938	1.0
353.06531	1.3
353.19611	4.5
371.16577	17.0
371.20712	19.7
372.21167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.26425	1.0
53.03940	2.0
55.01865	2.5
55.05500	2.9
57.03431	2.1
57.07044	2.3
60.66382	0.8
61.02925	1.5
65.03929	1.7
67.05494	3.8
67.44794	0.8
69.03073	1.0
69.03433	19.2
69.07059	3.5
69.55096	3.5
69.55506	2.4
70.06586	1.2
71.04976	1.8
73.02903	1.6
79.05490	6.1
81.03409	3.1
81.07060	5.6
83.04983	10.0
83.08646	1.4
84.08135	1.0
85.02901	10.2
85.06528	3.9
86.09688	1.5
91.05486	6.6
93.07057	6.2
95.04962	3.5
95.08612	10.8
97.02888	5.0
97.06504	3.3
98.97643	0.9
99.08078	0.9
103.05470	4.1
104.06208	1.1
105.07037	20.4
107.04955	3.3
107.08596	19.4
109.02876	1.9
109.06532	8.4
109.10142	3.9
109.43742	1.0
111.08105	9.0
115.05454	4.5
117.07007	1.4
119.04948	1.8
119.08591	4.7
121.02848	1.1
121.06503	4.7
121.10149	12.6
123.04440	1.4
123.08055	3.6
123.11699	3.9
124.05216	1.0
125.09640	32.5
125.27590	1.1
127.03901	4.0
131.04964	1.1
131.08575	8.8
132.05710	1.3
133.06508	9.7
133.10136	18.8
135.08058	17.8
135.11696	6.7
137.09621	1.4
143.08543	1.8
145.06461	1.1
145.10175	5.2
147.04443	1.1
147.11714	4.1
149.06004	6.4
149.09618	15.1
149.13257	4.1
150.10321	1.8
151.03860	1.3
151.11189	4.1
153.09113	10.8
158.10901	4.8
159.08063	1.1
161.05972	10.3
161.09624	1.3
161.13307	1.0
163.11200	8.6
163.14786	4.9
165.12700	2.5
167.07051	9.2
173.13269	22.6
175.03998	1.4
176.11964	2.8
177.05498	1.5
178.06291	0.9
181.05003	1.8
181.08592	4.0
191.07021	1.2
191.14311	100.0
192.14670	1.8
193.08611	27.5
207.06508	3.5
208.06824	1.7
209.08118	2.9
209.15379	99.2
210.15620	2.1
217.08510	1.7
219.08118	1.2
234.06825	1.1
236.08337	1.5
247.07458	1.3
249.05489	1.1
261.09232	1.1
264.07889	1.1
279.10071	2.0
281.11725	1.0
307.09900	1.0
311.12784	1.8
323.12378	1.0
339.12192	2.6
340.13153	1.2
353.19742	3.6
371.15475	5.4
371.20657	20.9
372.14771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89185	1.9
53.03943	2.0
53.63460	2.0
55.01876	3.2
55.05514	39.2
56.96550	3.8
57.03442	20.9
57.07083	15.9
65.03928	4.5
67.05511	76.5
69.07072	26.1
71.04998	6.2
71.08637	29.2
71.43283	3.4
79.05496	31.4
81.03423	2.7
81.07066	100.0
83.04981	8.4
83.08637	24.4
85.02918	2.7
85.06538	5.0
85.10192	18.5
91.05480	41.9
93.07044	42.2
95.04939	4.3
95.08614	78.1
97.06537	10.8
97.10194	9.8
98.97577	5.9
99.08104	20.1
101.06020	2.4
105.07037	25.2
107.04946	3.2
107.08595	24.8
109.06523	3.8
109.10165	22.2
111.04456	3.3
111.08067	4.9
113.09641	29.9
117.07026	5.0
119.04956	21.8
119.08593	18.7
121.10141	20.0
123.08097	3.3
123.11716	14.9
125.09612	4.7
127.11224	2.2
130.04176	2.8
131.08569	11.6
133.10144	23.3
133.56081	2.3
134.97038	2.1
135.08044	2.4
135.11714	12.9
137.06058	2.1
137.13274	10.8
145.10123	8.2
147.04427	64.5
147.11665	19.9
148.04706	2.7
149.09610	5.4
149.13249	13.4
151.11205	2.5
151.14784	2.7
153.12740	3.5
156.09427	2.5
157.10236	2.7
159.11697	8.1
161.13246	10.8
162.98889	2.1
163.11218	3.4
163.14819	7.7
165.12770	6.5
167.07066	3.6
167.14296	5.3
169.02878	2.1
171.11734	2.6
173.11859	2.2
173.13293	7.2
175.14815	3.4
176.30911	2.0
177.12714	3.2
177.16446	3.3
179.14279	7.3
181.05029	12.1
181.15891	3.3
187.14912	4.6
190.06290	2.9
191.18001	2.2
195.13625	3.5
197.69000	1.9
209.15431	4.7
243.21082	10.2
253.17967	4.6
261.22153	14.4
279.23227	34.4
325.10510	2.0
339.12106	2.8
352.57892	2.1
353.26990	12.8
359.95627	2.0
371.11017	13.7
371.14752	3.9
371.22116	3.0
371.27853	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	371.2795
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
53.03947	3.6
55.01873	11.2
55.05513	43.7
57.03447	11.1
57.07093	11.1
59.04966	2.4
62.55302	2.4
67.05506	90.5
67.05869	4.5
69.03448	4.1
69.07071	48.2
69.67730	5.0
69.68139	8.5
71.04984	5.9
71.08634	45.2
73.91084	2.2
79.05489	41.1
81.07059	100.0
83.04969	9.8
83.08618	23.8
85.06525	7.4
91.05470	23.8
93.07051	44.1
95.04980	4.7
95.08612	78.4
97.06536	12.7
97.10170	27.3
97.39944	2.4
98.21463	4.5
99.08097	44.5
105.07040	23.1
107.08591	34.7
109.06509	5.8
109.10152	49.5
111.08074	6.9
111.11709	3.4
113.09631	4.0
117.07004	6.4
119.08567	15.4
121.10136	23.7
123.08058	3.7
123.11728	13.7
125.09631	17.3
127.11166	3.7
129.07022	4.7
131.08580	13.8
133.10123	8.5
135.08064	5.4
135.11713	24.3
137.09610	3.9
137.13254	11.3
141.09097	2.2
143.08507	3.7
145.10121	12.6
147.11690	30.8
149.09647	4.8
149.13260	12.3
151.14824	5.7
153.09145	2.9
153.12738	10.8
157.10077	3.0
159.11658	7.2
161.01260	2.3
161.09598	3.9
161.13261	10.7
163.11134	8.6
163.14861	15.3
165.12759	14.9
167.14236	2.9
173.11746	8.8
173.13254	7.9
175.14835	3.9
177.12779	3.8
177.16394	4.1
179.14243	2.7
181.12167	2.9
181.15891	5.7
187.11241	7.7
187.14851	5.7
189.11243	13.3
191.14410	3.8
201.16391	3.8
227.12639	4.6
243.21078	15.2
245.13875	5.8
261.22150	36.0
279.23181	81.7
297.24347	2.7
353.26971	55.4
371.21674	5.4
371.25952	9.7
372.34537	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01865	7.0
55.05254	2.7
55.05510	42.2
57.03427	7.8
57.07077	11.7
65.03947	2.7
67.05506	98.9
69.03410	5.1
69.07065	56.2
71.04985	7.6
71.08630	5.2
71.58186	1.8
79.05489	39.8
81.07059	100.0
83.04968	7.9
83.05403	2.0
83.08625	26.1
85.06543	8.4
91.05477	12.2
93.07046	46.3
95.04980	4.6
95.08609	73.7
97.06531	12.5
97.10172	26.4
98.20669	3.1
99.08090	4.1
105.07025	13.3
107.08591	36.9
109.06519	4.4
109.10160	55.0
111.08080	7.6
111.11720	3.2
113.09650	2.7
114.38126	1.8
117.07013	6.0
119.08589	11.4
121.06514	2.0
121.10146	22.3
123.08045	3.4
123.11701	18.1
125.09616	16.9
127.11182	1.8
131.08559	11.3
133.10139	12.9
135.08070	5.0
135.11694	28.8
137.09689	2.6
137.13252	12.8
137.42715	1.9
139.07529	1.9
145.10124	8.4
147.11659	10.5
149.09618	2.8
149.13269	15.9
151.11137	1.9
151.14798	4.0
153.09116	3.1
153.12775	10.4
159.11685	6.1
161.13271	7.0
163.14856	6.6
165.12794	3.2
173.11743	5.8
173.13271	6.1
175.14763	4.3
177.12750	2.7
177.16479	3.9
179.14270	2.8
181.12152	2.8
187.13338	2.8
187.14839	6.0
189.11188	12.2
191.17986	2.5
193.15933	1.8
195.13792	3.1
201.16449	3.7
209.15382	1.8
217.19489	1.9
223.16937	2.8
227.12778	7.2
229.46558	1.9
233.22649	5.0
243.21033	9.9
245.13780	2.8
250.71814	1.8
261.22144	32.8
279.23184	65.9
297.24146	2.4
305.73730	1.9
353.26868	50.0
371.14691	2.4
371.25323	3.6
371.28909	3.9
392.04041	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	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31127	1.9
53.03947	3.5
55.01883	10.7
55.05514	51.3
57.03430	5.8
57.07066	9.2
58.81813	2.0
65.03938	3.5
67.05509	100.0
69.03413	4.0
69.06719	4.0
69.07074	58.3
71.04987	6.1
71.08628	23.1
71.12923	2.0
71.61346	2.6
79.05497	51.1
81.07062	95.1
83.04971	7.8
83.08621	29.0
85.06556	5.3
85.10140	1.9
86.76307	1.9
88.60659	2.1
91.05483	21.2
93.07050	46.6
94.78979	2.2
95.04971	4.3
95.08041	4.6
95.08614	76.6
97.02852	2.6
97.06529	11.7
97.10174	28.8
99.08099	21.1
101.06010	3.1
105.04528	2.6
105.07046	15.6
105.88565	2.2
107.08602	41.0
109.06554	3.1
109.10168	50.3
111.08054	5.6
111.11745	4.8
113.09688	2.6
117.07014	9.6
119.08591	13.0
121.10157	20.2
123.08097	4.5
123.11720	16.2
125.09629	19.9
127.11213	4.1
129.05478	2.4
131.08575	12.3
133.10165	11.2
135.08057	4.9
135.11688	27.1
137.09554	3.6
137.13255	11.9
145.10126	9.1
147.11693	15.4
149.13269	10.1
151.11258	2.8
151.14857	4.9
153.12782	11.8
157.10161	2.8
159.11682	8.9
161.13264	7.4
163.11217	2.9
163.14801	11.7
165.12788	9.9
170.41672	2.3
173.11720	12.5
173.13255	10.9
175.14880	4.7
177.16328	4.2
185.13484	2.2
187.11221	3.9
187.14780	3.4
189.11258	11.8
191.14368	3.4
195.13823	4.2
227.12708	6.8
233.22673	5.2
243.21121	13.6
245.13951	5.2
261.22156	35.6
277.88864	2.2
279.23199	75.0
353.26883	57.5
354.27109	2.3
371.25562	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	372.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48986	0.6
53.03939	1.0
54.30399	0.6
55.01860	1.3
56.96565	1.9
57.03432	2.3
61.02922	3.0
62.06076	0.8
69.03424	6.8
70.06580	2.1
71.60357	1.0
72.04499	1.3
72.08154	1.2
73.02913	1.7
73.04742	1.5
79.05489	1.3
81.03429	3.7
81.07044	0.6
83.04982	0.9
84.04498	1.1
84.08134	2.3
85.02407	1.1
85.02908	16.5
86.09706	1.1
87.04464	1.1
89.03901	1.2
91.03934	0.8
91.05424	2.3
91.05850	1.7
93.07005	0.8
95.04929	1.1
96.22957	0.7
97.02887	5.5
98.97581	2.3
99.04452	1.3
101.02405	0.7
103.05460	3.0
105.07045	5.2
106.06560	0.8
107.04945	1.7
108.59777	0.6
109.02884	1.8
110.07233	0.8
116.98643	1.1
117.03397	1.0
117.05737	1.1
117.07024	1.8
118.06544	1.1
119.07308	2.8
120.08105	5.2
121.06501	0.6
122.05990	0.6
123.04386	1.3
124.07608	1.5
127.03922	3.2
129.07042	3.6
129.10254	0.8
131.00186	0.7
131.04955	1.3
131.07387	0.8
135.04436	2.1
137.05959	1.1
137.41089	0.6
138.05441	0.8
138.11295	0.6
144.08035	1.0
145.02853	0.9
145.04988	2.2
146.09668	6.6
147.04387	0.9
150.09137	0.9
151.03946	0.7
152.07143	0.9
158.99672	0.8
163.03925	6.6
164.10721	100.0
165.11044	0.8
167.07098	0.8
174.05577	0.7
177.00833	1.0
177.05492	0.8
192.10234	2.3
201.00789	0.7
210.11264	90.7
219.01820	0.8
234.11360	0.9
237.02911	1.1
278.32730	0.6
286.00781	0.8
293.26703	0.6
356.06909	0.9
372.12415	0.9
372.16592	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	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36895	0.8
52.46960	0.9
56.96571	33.1
57.72370	1.0
67.05513	0.8
69.69622	5.5
71.95284	4.1
72.96075	1.2
74.97608	0.8
79.05051	1.1
79.05499	16.8
79.57028	0.9
81.07050	1.3
82.18923	0.9
84.96035	1.9
87.04472	3.8
89.96233	1.0
91.05492	1.9
97.96814	1.8
98.97580	3.1
103.00719	1.3
105.00177	1.8
105.07019	2.2
107.08596	3.7
110.97560	7.3
115.00699	1.3
115.07540	1.5
116.98624	2.3
123.01219	1.3
128.98615	6.4
129.02231	1.2
131.00153	1.0
134.99673	1.0
137.02791	1.3
139.00644	1.4
141.02278	1.6
143.00124	0.9
146.99677	4.6
151.00723	1.3
153.02252	2.1
155.03806	2.3
161.01224	1.5
165.02217	0.9
167.03783	1.1
169.01819	1.2
169.05373	1.4
171.03275	4.7
173.04854	5.3
175.02795	1.2
181.05418	1.4
184.04033	0.9
185.04884	4.2
187.02841	1.3
189.04393	3.6
191.05952	2.9
195.06897	1.1
197.04794	1.0
199.06520	5.2
201.07959	1.6
203.05939	5.6
207.03206	1.6
211.06363	1.1
213.04337	1.0
215.09535	1.4
217.07507	3.9
217.11156	1.2
219.09103	1.7
221.08586	0.9
225.04419	4.9
225.07976	2.0
226.05164	1.3
227.05907	1.3
229.07452	3.3
237.08005	1.0
243.09062	13.1
245.06958	1.4
247.08650	1.6
253.07375	1.8
255.09029	3.8
261.10196	6.1
266.10504	1.3
267.09018	1.8
268.09793	2.1
273.09998	1.5
281.10681	2.9
283.12338	1.0
286.11020	1.0
299.11511	1.8
302.19547	1.0
307.15762	1.2
308.54617	2.4
313.14716	2.5
319.12183	1.3
329.14273	1.7
331.15820	100.0
332.16183	1.5
347.15356	2.2
349.16882	92.8
367.18021	9.0
372.18454	20.6
372.30847	1.6
372.35046	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	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01875	1.9
57.03442	30.0
61.02917	9.8
62.63171	2.0
69.03439	28.9
69.34278	3.3
69.34692	15.3
71.01352	3.4
73.02924	61.6
73.04758	3.1
81.03403	5.8
83.04996	2.3
85.02909	100.0
87.04465	3.7
91.03943	4.3
97.02901	44.9
98.97579	3.6
99.04481	3.4
103.03844	2.2
109.02866	7.9
115.03934	31.7
124.07571	2.0
127.03076	2.7
127.03936	32.4
127.04808	3.7
130.01752	1.9
133.04964	11.4
135.04414	2.7
145.04965	61.3
145.06117	3.1
150.07561	3.8
158.99594	2.3
163.03949	15.2
163.06042	31.8
167.07158	3.0
181.73051	1.8
201.59537	2.0
223.05956	3.3
223.11655	9.7
241.07001	2.5
259.08057	4.6
286.00909	2.2
295.10202	4.9
318.48203	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	372.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80158	0.3
53.03934	0.6
55.05516	5.6
56.05051	0.4
57.06816	0.6
57.07083	10.2
60.04530	14.9
67.05509	4.5
67.53034	0.3
69.06709	0.6
69.07071	8.3
69.53947	0.6
69.54361	2.2
69.98272	0.4
70.06596	1.8
71.08633	5.1
75.00038	1.1
75.29099	0.3
78.01122	3.2
79.05492	1.2
81.07062	8.7
83.08635	4.4
84.04512	0.9
84.08154	2.0
85.10177	1.4
87.04461	2.2
89.01608	1.2
95.08614	6.4
97.10191	3.0
98.21500	0.7
101.05984	0.4
106.04237	1.2
109.10161	3.5
111.11716	0.9
111.46284	0.4
117.04681	0.6
123.11722	1.9
131.90466	0.3
137.06015	0.9
137.13252	0.6
169.23441	0.4
223.72498	0.4
268.30008	6.6
294.31430	1.9
314.95126	0.4
330.29254	17.0
372.30301	100.0
373.30777	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	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03949	4.8
53.42654	0.7
55.01882	0.8
55.05507	0.9
57.03436	2.2
62.16535	0.7
67.05494	2.9
68.32897	0.8
69.03419	2.0
69.07062	2.7
70.06588	2.3
70.07815	1.0
71.51447	1.0
72.08153	1.2
74.06075	1.0
79.05489	3.5
81.03405	1.3
81.07047	2.0
83.04973	1.8
83.06107	6.6
83.08609	0.8
84.04509	9.5
84.08154	1.5
85.02903	6.4
86.09702	18.3
89.90857	0.7
91.05467	3.5
93.07034	1.9
95.01324	3.6
95.04973	12.4
95.08611	3.0
97.02886	1.5
99.08101	3.2
100.11256	1.2
101.02366	0.9
101.07157	1.3
103.05458	1.0
105.03392	100.0
105.07000	2.0
106.03754	0.9
107.04958	2.7
107.08641	1.3
109.06482	1.2
109.10171	5.5
113.02387	1.0
117.07018	1.0
119.04969	2.6
119.08589	1.7
121.10150	0.8
123.04432	3.6
123.11702	0.8
129.06580	5.3
132.10216	6.8
133.10159	1.1
135.11714	1.6
137.05971	4.5
137.09599	7.7
141.01793	5.4
145.02838	1.0
147.04414	2.5
151.03868	1.6
155.10681	1.2
157.06482	0.9
167.07037	3.0
171.01996	1.8
175.03896	3.3
177.05550	1.2
179.07047	22.5
182.15388	1.1
185.12967	0.8
189.12369	1.1
193.15889	8.5
196.12819	1.1
196.14481	9.6
197.08081	9.3
197.12907	5.1
201.05470	1.6
207.06552	6.2
210.14928	0.9
211.15125	1.4
211.16942	2.9
214.15541	4.3
224.13934	2.1
242.15018	1.6
269.89825	0.8
338.19290	0.9
355.23364	4.4
373.13232	1.9
373.18277	12.9
389.20935	0.8
396.64795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05489	1.0
56.05033	0.8
56.96552	0.5
57.03424	0.6
58.06580	0.7
66.06687	0.5
67.05494	0.9
69.03417	2.0
70.06580	2.0
71.04974	0.7
71.60528	0.8
72.04512	0.5
72.08133	1.6
73.02898	0.8
74.06083	0.8
79.05491	1.7
81.03394	0.7
81.07069	2.7
83.04960	1.2
84.04532	0.7
84.08144	13.8
85.02891	2.0
85.47987	0.5
86.09698	3.8
91.05438	1.2
92.25729	0.4
93.07040	1.3
95.04948	2.0
95.08609	2.1
96.08169	0.5
97.02918	1.1
98.97601	1.0
99.08081	2.0
103.05485	0.5
104.49182	0.4
105.03385	0.6
105.07006	1.3
107.04936	2.7
107.08607	1.3
109.02876	0.6
109.06495	0.9
109.10155	1.2
111.04433	0.7
115.03934	0.8
115.05462	0.5
117.07018	0.7
119.04945	0.8
119.08603	0.8
119.64777	0.4
121.06510	0.5
121.10162	0.6
123.04443	0.8
123.08119	1.0
125.01549	0.5
127.03883	0.6
129.10245	10.2
131.04930	0.5
133.10155	0.7
135.04330	0.5
135.11687	0.7
137.05988	3.4
137.09682	0.5
145.02831	0.7
145.06473	0.9
147.04398	1.5
147.88196	0.5
151.07591	0.5
155.07082	0.7
157.06471	0.6
161.05988	0.7
163.03915	0.6
163.07532	0.8
167.07040	2.8
170.99800	0.6
171.02080	2.1
175.14830	0.6
177.05492	1.0
179.06975	0.5
181.04883	1.0
187.94640	0.5
193.08607	0.7
193.12021	3.6
193.15865	1.0
195.06476	0.6
195.13615	3.2
201.03725	2.9
201.05400	0.9
203.05257	5.7
211.16873	1.0
219.01830	0.5
242.18726	1.2
253.08855	0.6
253.12862	0.7
295.05917	0.6
305.23221	0.5
332.35501	0.5
356.24490	0.8
357.05591	0.5
373.14697	4.4
373.18365	100.0
374.18491	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	17.8
55.05501	27.2
56.05022	20.4
57.03420	12.5
60.07013	8.8
65.99077	8.5
67.05512	47.1
69.03423	20.2
69.07053	28.9
69.22480	100.0
70.06591	16.2
71.04973	16.3
79.05501	47.4
79.67582	9.8
81.03407	15.2
81.07047	51.9
83.04971	27.0
83.08624	12.7
84.08123	11.0
85.02890	39.8
86.09693	32.6
91.05470	36.7
93.07027	32.8
95.04957	24.9
95.08614	61.4
97.02911	9.9
97.06513	19.9
99.04446	13.3
99.08087	28.0
105.07017	35.9
107.04926	41.3
107.08564	31.6
108.81036	9.4
109.02837	11.0
109.06505	29.4
109.10151	69.7
111.04366	10.8
115.05463	15.8
119.08625	23.1
121.06519	17.9
121.10111	15.7
123.04453	15.4
123.08102	14.4
123.11703	24.2
125.06000	12.9
127.03874	16.0
129.06921	10.8
131.04880	26.4
131.08575	15.5
133.06490	12.9
133.10127	27.9
135.08005	15.0
135.11719	68.4
137.05977	80.7
137.09572	17.1
145.02774	11.4
145.06471	15.6
147.04425	23.6
147.11720	16.6
151.03889	12.5
153.05577	13.2
155.10652	12.9
161.05920	11.3
167.07016	52.7
173.05882	10.2
175.07555	10.5
175.11221	9.6
175.14813	27.5
177.05486	29.2
181.04861	20.3
193.15918	53.8
201.05481	39.7
201.12297	16.2
211.16942	43.3
219.06439	17.3
219.10139	13.7
235.07565	10.9
270.17123	16.3
288.82870	11.0
313.11383	11.4
323.09259	10.7
327.12305	14.5
355.11615	15.0
373.09134	21.6
373.13419	31.5
373.17996	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05507	6.9
56.05034	3.7
56.96569	3.0
57.03439	2.3
67.05521	13.5
69.03419	6.5
69.07066	10.4
70.06599	46.3
71.05005	2.6
71.59525	2.8
71.59908	2.7
72.08145	5.4
73.02916	2.8
74.06082	4.2
79.05477	5.8
81.03417	7.5
81.07062	12.5
83.04995	11.8
83.06091	14.2
84.04502	19.3
84.08131	6.0
85.02905	13.1
85.06530	4.2
86.09711	100.0
88.07619	3.1
91.05481	9.9
93.07049	8.9
95.04968	22.0
95.08605	11.4
97.02889	6.3
97.06547	3.4
98.97596	11.5
99.04424	3.5
99.08101	10.7
101.07137	4.0
103.05450	3.7
105.07030	7.2
107.04963	7.8
107.08599	7.7
109.06508	4.6
109.10172	30.8
110.07170	2.9
110.97578	2.8
112.08757	3.3
115.05529	2.3
116.98643	4.8
117.07034	3.4
117.28535	2.0
119.08604	9.0
120.08104	21.3
121.08417	2.0
121.10149	6.8
123.08063	4.1
123.11696	4.3
129.06610	4.1
129.10207	2.5
131.11812	5.7
132.10185	14.7
133.10141	14.8
135.08084	5.1
135.11697	9.1
137.06021	10.6
137.09633	20.5
141.06641	2.5
145.02852	2.1
145.06526	4.5
147.04462	2.4
149.09641	3.2
151.07695	2.5
151.11194	2.4
152.10681	2.7
155.10660	3.1
157.10155	2.5
157.13329	2.3
158.99670	3.9
159.11771	2.8
165.05505	2.1
167.07024	8.1
169.13356	7.0
175.07634	2.3
175.14899	5.3
177.00569	2.1
185.12839	3.2
189.12379	4.5
193.15895	32.1
196.14476	10.6
197.12918	9.9
201.05481	4.5
211.16982	11.6
214.15588	4.9
219.01772	3.9
225.12395	5.2
235.94975	2.2
237.02892	4.7
242.15065	18.6
243.13445	3.1
248.30675	2.5
263.73730	1.6
287.08051	3.3
299.15009	3.2
299.68787	8.1
305.09024	9.2
317.15958	2.4
338.19592	3.6
338.23434	2.8
347.10019	2.7
350.54114	1.9
355.07959	2.4
355.23367	3.3
373.08887	4.5
373.13901	2.2
373.18295	36.1
374.25232	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01861	1.5
55.05504	1.3
56.05018	0.7
56.96556	1.4
57.03427	1.6
57.07058	0.6
58.06600	3.4
60.04504	0.6
61.02927	2.9
62.01396	0.7
65.03921	0.8
67.05499	2.0
69.03432	6.3
69.07037	0.8
70.06593	5.8
71.04983	1.2
71.59679	1.1
72.04515	3.1
72.08139	1.9
73.02904	1.7
74.06084	6.3
79.05482	2.4
81.03416	3.7
81.07060	2.9
83.04965	1.4
83.08606	0.8
84.04481	1.9
84.08157	3.1
85.02910	19.5
86.06068	3.2
86.09702	4.5
87.04463	0.9
89.03912	6.6
91.03928	1.0
91.05482	3.1
93.07014	1.8
95.04942	2.2
95.08605	1.7
96.08128	1.0
96.08972	0.6
97.02888	5.9
97.06546	0.8
98.06052	0.8
98.97577	2.1
99.04441	1.3
99.08065	0.8
105.07027	2.1
107.04954	1.6
107.08599	1.8
108.05302	0.7
108.08047	0.7
109.02890	2.5
109.06503	0.7
109.10162	2.0
110.07174	1.4
110.97601	0.7
111.04468	0.7
112.07584	0.6
116.98601	0.9
117.03381	16.8
117.07018	1.0
119.04975	0.9
119.08556	0.8
120.08042	0.8
121.06505	1.0
121.10098	0.9
122.09653	0.8
124.07599	1.7
125.09669	0.7
127.03897	3.3
129.10188	1.3
131.08522	1.3
134.03662	1.4
135.04410	3.5
137.05946	1.9
143.38062	0.6
145.02844	45.8
145.04938	4.2
145.10156	0.8
146.03195	0.8
147.04407	2.3
149.05968	8.3
149.09674	0.6
152.07056	1.6
153.05531	1.0
159.11699	0.9
161.01091	0.6
161.05943	0.6
163.03922	7.7
167.07060	1.2
168.07434	0.7
177.05472	100.0
178.05814	1.2
180.08685	1.9
181.04900	1.0
186.05571	0.9
191.06953	1.1
194.08150	2.4
194.16113	0.7
195.06534	47.8
205.08482	0.7
212.03792	0.8
212.12811	0.7
212.17178	1.1
222.62460	0.6
231.12488	0.7
233.07964	0.7
237.00706	1.1
239.08528	1.1
276.44937	0.6
279.08661	2.4
288.94681	0.7
319.69055	0.7
320.22278	2.2
338.23224	6.0
356.24362	7.9
374.18683	15.6
374.25327	3.1
375.07675	1.2
375.12628	5.8
377.47351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
53.08374	1.2
55.01870	1.1
56.05028	2.2
57.03431	3.4
58.06595	1.9
65.03936	2.3
67.05506	2.2
69.03429	19.6
69.07062	4.6
69.63246	7.4
70.06589	2.9
71.04985	3.8
72.04506	1.6
74.06084	8.6
81.03417	11.4
81.07073	1.4
84.04508	8.9
84.08157	1.2
85.02911	19.5
85.06555	1.4
86.06059	2.9
86.09196	2.2
86.09709	39.0
87.00834	9.9
87.04480	1.8
87.10025	2.6
91.05488	100.0
93.07009	1.5
95.04970	2.3
95.08601	1.6
97.02898	39.9
98.97607	2.3
99.04460	9.4
102.05533	4.2
104.24731	1.1
105.01884	12.6
107.08608	1.4
109.02892	4.5
123.04356	1.3
124.07535	3.1
127.03925	34.4
129.06602	4.6
132.10216	7.1
133.10086	2.3
137.05989	2.0
141.28043	1.2
143.03320	1.3
145.04973	22.4
148.06059	1.6
167.07004	3.2
168.07472	1.7
168.13792	1.2
171.02902	1.3
197.12839	5.5
199.18141	1.6
213.03874	1.8
215.13983	8.0
225.12347	1.4
231.05000	17.0
243.13213	1.5
249.06082	5.7
270.63681	1.3
306.09338	1.4
320.22528	2.1
338.23135	3.6
356.24451	5.9
374.18674	3.3
374.25452	3.3
375.19888	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01872	3.3
57.03431	2.5
61.02923	3.2
65.03939	2.1
68.99807	1.2
69.03432	14.1
69.51605	4.8
69.52009	1.3
71.04999	2.5
73.02922	3.5
81.03420	10.0
84.04478	0.8
85.02909	42.2
86.09706	3.2
87.00834	19.2
87.01334	1.4
91.05486	100.0
92.05809	0.8
97.02896	16.5
99.04475	5.8
103.03980	0.8
105.01870	23.3
105.02558	1.4
105.07029	1.6
108.04506	2.7
109.02883	14.4
111.04519	0.7
114.07433	0.7
117.01855	1.3
117.07078	1.1
126.05525	1.4
127.03927	30.0
129.01860	2.4
129.07005	1.5
133.06473	1.4
145.04964	14.7
145.06499	1.4
147.02856	1.5
157.06522	0.9
159.02893	7.0
171.08044	1.0
175.07545	1.2
189.04036	2.0
195.06552	0.8
199.07591	1.4
213.03972	1.6
217.08612	1.3
231.05042	9.0
248.07747	1.0
249.06119	1.7
278.74588	0.7
302.07053	0.8
321.09894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19549	1.0
55.49822	0.9
56.96570	29.3
57.07077	5.4
58.06575	0.9
58.94254	1.0
70.06596	9.4
71.08651	2.4
71.20086	2.3
71.95263	5.5
72.96050	1.4
81.07063	1.6
84.96043	2.5
85.83027	1.1
88.07639	8.9
93.07033	1.5
95.08593	1.9
97.96818	3.6
98.97596	2.8
104.35896	1.2
106.08685	1.5
109.91056	1.0
110.97582	15.3
114.09162	3.2
115.97842	1.4
121.94409	1.0
126.20898	1.1
128.98618	20.1
132.10217	13.8
143.00139	1.2
146.99646	7.2
150.11243	9.1
161.01241	3.3
171.03278	1.7
175.02806	1.3
189.04401	2.2
203.05992	1.6
227.09459	1.6
241.11031	1.6
245.08527	1.6
245.10889	1.3
252.10364	1.7
259.12277	1.2
263.09579	4.8
265.11349	1.3
277.11185	1.2
303.12576	2.6
313.14758	1.8
315.16293	47.8
330.33826	1.9
331.15927	2.8
333.17361	100.0
334.17743	3.5
351.18390	27.5
356.18964	12.9
374.20010	3.2
374.36304	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99873	1.5
63.26135	1.2
67.05508	6.2
69.07073	2.3
71.60246	1.9
77.00918	4.9
79.05505	1.6
81.07057	3.8
81.94176	1.1
90.90488	1.1
91.05486	3.8
93.07046	1.8
95.01966	1.6
95.08610	3.1
104.68163	1.0
105.07039	2.3
105.87447	1.1
107.08611	2.5
109.10168	1.7
109.37128	1.1
111.04609	1.1
113.00922	1.7
119.08566	2.0
131.01927	7.8
137.05957	2.0
141.03961	2.8
144.02699	1.4
145.10193	1.2
149.02975	1.3
156.02711	1.6
159.05064	1.7
169.03455	6.9
170.44370	1.1
173.06596	2.7
174.03772	1.6
182.04167	3.0
183.05147	1.3
185.06705	2.2
186.07397	2.5
187.04567	2.3
187.08240	2.3
191.07742	1.6
193.07248	1.8
195.05096	3.2
200.05276	1.4
201.09792	3.7
205.07202	2.2
205.09261	1.6
206.07913	1.1
207.05113	2.1
209.06714	1.2
212.05214	1.4
213.09755	2.5
219.10803	3.3
223.08197	9.1
224.08902	9.8
225.09778	3.2
227.11327	1.3
229.09200	2.0
231.10838	3.9
239.11282	1.5
241.09233	32.4
241.11700	1.6
242.09993	18.1
243.10866	7.6
243.14481	2.8
247.10445	2.0
256.07813	2.6
257.12311	1.5
259.10294	6.1
260.11017	7.5
263.11575	1.4
264.12238	1.6
274.09106	1.4
277.12625	1.2
282.13077	1.4
283.13937	2.0
291.18036	2.1
299.93585	1.2
315.17990	8.3
317.54453	1.2
333.19168	44.5
351.20218	100.0
352.20297	2.5
356.20679	1.7
369.20950	2.5
374.21756	13.4
374.26312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.4
58.99872	4.0
63.69791	2.2
67.05507	7.9
68.84169	2.1
69.07056	5.4
77.00910	18.1
79.05486	6.6
81.07056	10.5
85.02930	2.6
91.05486	6.9
93.07057	4.4
95.01941	10.9
95.08588	3.2
97.10182	2.6
101.67258	2.3
105.07033	3.1
107.08600	3.2
109.10162	3.6
117.04050	2.6
119.08624	2.4
131.01895	5.0
131.08630	2.7
131.17053	2.2
137.05975	6.1
141.03989	5.4
145.03532	4.4
153.03970	4.3
155.05511	5.4
159.05083	4.3
162.34418	2.0
169.07137	4.4
171.05035	8.7
173.06558	8.1
181.07069	3.2
183.08694	3.8
185.06628	4.7
187.08168	11.9
195.08806	2.9
197.10217	2.8
199.08202	4.0
201.07721	3.9
201.09709	25.8
205.09230	3.7
205.23489	2.7
207.04948	2.6
209.10233	5.9
211.08206	2.8
213.09727	6.8
215.09361	2.4
215.11298	10.4
219.10783	10.2
221.06787	2.8
221.10381	3.1
223.11826	6.7
224.11423	3.0
227.11298	9.8
231.08617	2.4
233.10103	3.0
239.11327	18.0
241.12886	14.6
243.14423	4.2
247.11826	3.7
249.09685	7.0
251.11322	45.9
253.12839	6.5
257.12332	33.2
262.12939	2.9
263.11292	6.0
264.12146	2.9
265.12790	4.1
267.10745	30.9
269.12381	65.0
273.17102	2.6
279.14542	2.6
280.14209	2.7
281.12418	7.1
283.13995	2.8
290.12320	4.2
291.15106	3.0
291.18140	10.0
292.14011	4.4
310.92252	2.3
313.16507	3.1
315.18057	32.6
333.19156	86.8
334.19333	3.0
351.20215	100.0
352.20285	4.2
356.20697	9.9
374.22122	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	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44392	0.2
55.05490	0.3
57.07079	7.4
58.06606	1.7
60.00403	0.2
68.05027	0.4
69.07043	0.4
70.06596	17.3
70.28919	0.2
70.62029	0.4
70.62352	0.3
71.08640	3.2
72.08167	0.4
74.06064	0.3
85.10178	1.2
85.93064	0.2
86.09701	0.4
88.07635	21.1
98.21342	0.3
102.09187	13.4
130.05365	0.2
131.56180	0.2
132.10176	0.8
139.48413	0.2
146.11751	0.9
150.11194	0.6
168.14787	0.2
246.93286	0.2
268.29965	1.0
278.39828	0.2
286.31265	0.3
294.31641	0.3
312.32611	36.9
313.32935	1.0
356.35327	2.4
374.36295	100.0
375.36603	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	375.1264
Annotation	Dercitamide
Peak:m/z	Relative Intensity
53.03946	0.6
55.05514	0.5
56.96520	0.4
58.85855	0.4
59.71126	0.4
67.05495	0.5
69.03418	1.0
69.07048	0.6
69.26128	3.1
69.26541	1.1
70.06593	2.3
72.08162	2.6
73.02891	0.4
74.06065	1.5
78.71871	0.4
79.05486	0.7
81.03419	0.7
82.38721	0.5
84.04501	1.7
84.08124	1.2
85.02898	1.5
86.09693	1.2
91.05466	1.2
93.07066	0.5
95.04962	0.8
95.08573	0.8
97.02839	0.8
105.07024	0.6
107.04943	0.6
109.02882	0.9
127.03882	0.7
130.04993	1.9
137.05969	2.4
143.45709	0.5
147.07655	1.6
149.05933	0.6
151.03923	1.1
162.99989	0.8
167.07054	1.5
181.04979	3.2
199.02084	1.0
199.09428	9.1
250.14326	1.0
260.11877	1.3
331.13013	0.5
339.23645	0.6
357.13507	0.6
357.24649	1.2
375.12592	100.0
376.13138	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	375.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.0
55.05504	10.9
56.05022	4.8
58.06595	5.9
67.05473	7.7
69.03435	24.6
69.07065	13.4
69.41952	6.8
69.42364	24.9
70.06611	8.7
71.04990	6.2
72.04524	3.4
72.08163	9.6
73.02896	3.7
74.06081	19.8
79.05489	13.4
80.86971	3.6
81.03414	9.8
81.07070	24.4
83.04990	4.7
83.08612	7.6
84.04506	6.6
84.08131	3.4
85.02903	20.2
85.06510	5.2
86.06061	8.1
86.09708	21.4
87.04493	5.8
87.10026	4.4
91.05476	15.7
93.07024	16.7
95.04975	9.5
95.08607	34.8
97.02890	8.6
97.06524	3.9
97.10178	7.6
98.97583	4.8
99.04459	4.2
99.08095	11.9
105.07041	11.3
107.08597	31.8
109.02885	11.7
109.06518	5.0
109.10150	8.1
111.04445	5.4
111.08064	8.6
121.10165	51.6
123.08147	3.6
124.07592	4.2
125.09656	8.2
125.30783	3.8
127.03908	15.1
131.04944	4.0
131.08499	3.9
133.10185	4.5
135.11710	12.9
137.05978	6.9
137.09587	4.6
137.13272	6.7
143.40471	3.9
146.06007	5.1
149.13289	5.2
167.07056	10.0
177.16396	100.0
181.04991	5.9
181.16730	3.2
195.17413	17.4
213.18481	28.6
216.14101	4.6
225.68295	3.2
287.71640	3.5
322.23932	6.5
339.23230	4.5
340.24841	8.4
358.25946	7.4
375.15234	4.2
375.19626	14.0
376.27213	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	375.2379
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03947	6.6
55.01868	9.0
55.05511	23.7
57.03434	12.7
57.07077	3.7
61.02929	13.7
65.03925	2.3
67.05511	12.8
69.03429	42.4
69.07072	50.0
70.06606	3.6
71.04996	11.5
71.61419	3.4
73.02905	7.9
74.06090	3.1
79.05488	10.4
81.03419	27.6
81.07063	36.8
83.04989	10.9
83.08611	9.8
84.08150	2.7
85.02905	95.7
85.06545	25.9
86.10520	2.1
87.00830	3.6
87.04472	6.1
91.03950	4.9
91.05489	8.9
93.07054	22.9
95.04962	6.6
95.08039	3.0
95.08614	54.1
97.02891	35.4
97.06544	6.5
97.10179	9.8
98.97592	4.5
99.04443	7.5
99.08096	24.0
101.02398	2.2
103.03954	3.2
103.05473	3.4
105.07032	10.7
105.30957	2.2
107.04959	4.2
107.08588	31.3
109.02872	17.6
109.06519	4.4
109.10174	20.2
111.04443	3.3
111.08072	7.2
111.11723	7.8
113.09621	7.0
117.07010	2.1
119.08569	5.0
119.09361	1.6
121.06516	4.9
121.10153	38.5
123.04431	2.2
123.11710	13.1
124.07558	3.3
125.09641	8.7
125.13303	3.1
127.03928	29.2
127.11181	2.4
131.04926	3.6
131.08575	2.9
133.06448	1.9
133.10114	3.1
135.08046	2.6
135.11705	24.3
137.05974	11.5
137.13261	21.0
139.11179	9.9
145.04997	17.4
145.06059	2.4
145.06514	1.5
145.10115	2.6
147.11740	3.3
149.13297	5.3
151.07541	2.2
151.14857	4.3
153.12730	12.5
157.10164	2.1
159.11623	3.0
167.07018	8.0
171.08026	2.5
175.07565	2.0
177.16388	100.0
178.16795	2.2
185.13333	2.6
195.17432	44.3
213.18498	41.9
230.32834	1.7
262.78458	1.7
273.14767	2.1
301.14502	2.7
302.13031	1.7
303.23273	2.2
318.13385	2.1
375.10284	2.8
375.14365	5.9
375.18430	4.1
375.23593	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	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.3
53.61901	2.7
55.01876	20.1
55.05262	5.4
55.05515	100.0
57.07083	3.8
67.05203	3.0
67.05511	27.6
69.07073	20.5
71.12415	2.5
79.05499	30.2
81.03419	5.2
81.07057	30.6
83.04963	5.9
83.08623	45.3
87.87009	2.6
91.05486	27.3
93.07047	25.1
95.01365	3.5
95.04982	4.2
95.08614	16.9
97.06538	27.8
97.10160	9.7
97.67559	2.7
105.07032	31.4
106.77328	2.4
107.04935	12.1
107.08599	24.5
109.10192	7.2
117.07018	7.9
119.08578	24.7
121.06478	2.9
121.10129	9.6
123.08090	4.8
123.11668	4.9
125.09646	12.2
131.08534	9.3
133.10143	22.5
135.11746	6.0
145.10123	11.9
147.11664	8.8
149.09622	16.6
149.13200	5.6
157.10097	5.6
158.94745	3.3
159.11662	5.8
163.14818	3.4
164.65501	3.3
171.11914	3.7
177.12500	4.0
179.14293	8.5
186.22652	2.8
189.11221	10.8
247.20590	4.1
257.19040	7.2
275.20081	69.4
293.21069	4.4
375.28751	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	376.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.3
56.96328	1.3
56.96568	18.4
57.07059	2.9
60.60661	0.8
62.71895	0.8
67.05491	1.8
69.07043	2.9
69.57749	6.2
70.06588	1.7
71.06911	1.2
71.08637	8.0
71.87764	1.1
71.95284	4.7
72.96036	1.7
79.05486	1.7
81.07037	3.6
84.96031	1.8
86.09710	2.4
88.07643	1.4
88.11269	15.9
93.07019	2.2
95.04964	2.6
95.08596	4.0
97.96794	2.0
98.21437	1.9
98.97577	2.0
105.07018	1.2
107.08614	1.4
109.06506	3.4
109.10139	1.2
110.97573	5.1
119.08578	1.6
123.08039	1.1
128.98625	9.1
133.10130	1.3
145.10080	1.2
146.99677	4.7
156.13824	1.3
161.01248	1.6
165.12746	13.0
173.13266	2.0
177.86903	1.0
184.13312	1.9
185.04855	1.6
191.14293	1.7
193.05023	1.2
222.18530	1.3
224.20177	1.5
254.21162	1.0
262.21738	1.3
263.09427	1.9
271.20551	1.7
275.38519	1.0
277.11182	2.0
278.24780	3.4
289.21555	2.0
302.18585	1.0
313.33072	1.7
315.16107	1.0
317.17886	44.6
333.17230	2.9
335.18939	100.0
336.19135	2.5
353.20020	20.5
358.20535	16.8
358.30801	1.6
366.84970	1.0
375.36603	2.5
375.80661	1.9
376.21497	2.7
376.31921	5.8
376.36823	3.9
377.20102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2483
Annotation	Spiramine P
Peak:m/z	Relative Intensity
51.76299	0.4
53.03939	0.6
55.05496	1.3
56.96565	1.2
67.05492	1.6
69.03418	1.4
69.07058	1.1
70.06572	0.8
71.60235	0.8
74.06053	0.8
79.05486	1.1
81.03418	1.5
81.07043	2.1
84.04507	0.5
84.08127	0.8
85.02910	1.1
87.04472	19.1
91.05457	1.5
93.07040	2.0
95.04963	1.0
95.08604	1.3
98.97556	0.5
105.07033	1.4
106.06583	3.1
107.07315	0.5
107.08572	1.5
109.02888	0.8
109.06496	0.6
109.10135	1.2
116.91791	0.5
117.05739	1.1
117.07005	0.5
118.06551	6.3
119.08598	0.7
121.06535	0.9
121.10133	0.5
123.08079	0.6
127.03888	1.2
130.06532	0.8
131.07300	3.3
132.08089	3.1
133.10149	0.9
134.09637	1.0
145.02824	0.6
145.10144	0.7
146.09634	5.1
147.04343	0.6
147.11734	0.5
160.11203	4.5
167.07069	0.6
174.12799	1.2
177.05460	1.1
232.13406	1.2
244.20601	5.2
272.20108	38.6
273.20590	1.1
284.72394	0.5
290.21143	14.0
302.29849	0.5
358.23706	0.9
376.24844	100.0
377.25287	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	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61902	1.0
56.96553	2.8
66.77119	1.2
70.06584	1.7
71.08308	2.5
75.13949	1.1
80.00202	1.3
89.03904	6.0
98.97588	4.8
107.04960	2.5
117.03399	7.1
118.36852	1.2
133.43671	1.3
135.04422	10.6
145.02829	7.6
158.99664	2.0
163.03912	53.9
164.04280	1.9
177.00810	1.4
179.03152	2.9
185.02100	24.0
185.45650	1.5
186.05537	2.8
197.04219	11.6
215.05269	49.6
215.08188	8.7
219.01866	1.5
221.03017	5.0
237.02855	2.4
289.05685	1.4
300.01965	1.2
302.39093	1.2
304.86905	1.2
317.09360	2.1
359.07382	12.2
377.08456	100.0
377.13974	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	377.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.0
55.05508	3.9
56.96551	1.9
57.03436	3.4
58.63428	1.5
59.54068	1.9
61.02925	6.3
64.58956	1.7
66.38416	2.0
67.05501	6.5
68.99792	13.1
69.03422	12.4
69.07051	3.6
69.61629	13.5
79.05504	7.0
79.96116	1.7
81.03427	10.2
81.07048	9.8
82.08837	1.8
83.04984	3.3
85.02904	14.1
87.00845	15.8
91.05491	9.6
93.07040	7.4
95.04961	5.0
95.08608	7.9
97.02886	25.6
97.06538	2.6
98.21516	2.0
98.97607	2.9
99.04440	2.7
105.07024	10.2
107.04948	5.1
107.08588	4.5
109.02889	3.2
109.06527	2.9
109.10167	4.1
111.04454	6.8
113.02397	2.4
115.03843	2.3
115.05450	10.2
116.98565	2.5
117.07008	17.3
119.04958	4.1
119.08587	7.0
121.10133	2.6
125.05881	1.8
125.09715	2.3
128.06227	18.5
129.01831	9.6
129.07025	17.5
130.07733	2.2
131.04933	5.8
131.08574	9.0
132.05727	2.2
133.10144	3.7
135.11716	2.2
137.05981	16.7
141.06958	14.5
142.07816	5.9
143.04964	6.6
143.08595	16.2
144.05725	2.4
145.06497	26.1
145.10144	4.6
147.02914	3.2
147.08102	3.3
147.11812	2.0
149.06013	3.0
151.03963	3.0
152.06198	7.1
153.07030	6.0
155.08517	3.0
157.06480	19.5
157.10156	6.1
158.07275	11.7
159.02931	3.0
159.04364	2.8
159.08081	6.2
159.11723	4.9
160.05186	11.7
161.05966	8.5
161.09651	6.1
161.13257	4.2
162.06769	2.3
163.07532	4.5
165.06989	6.8
166.07784	3.0
167.08566	21.0
169.06465	17.4
169.10184	3.1
170.07271	5.1
171.04413	5.0
171.08049	16.6
172.05272	2.5
173.06001	3.3
173.09625	5.1
174.06775	21.6
175.07552	30.0
176.08379	4.8
177.05528	4.0
177.09128	28.0
179.08652	2.8
179.14270	2.6
181.06516	8.6
182.07185	2.1
183.08072	6.2
184.05176	2.6
184.08893	5.7
185.05962	4.7
185.09628	12.7
186.06770	7.5
187.07558	13.7
187.14835	2.7
188.08324	8.7
189.09113	48.0
191.07042	7.5
195.08055	48.4
195.09763	3.9
196.08836	5.1
197.05957	11.9
198.06787	8.2
199.07584	14.4
199.11150	2.8
201.05487	3.9
201.09111	63.8
201.10927	4.2
202.09837	5.2
203.07050	10.7
203.10664	24.7
204.07964	2.4
205.08629	6.6
209.09650	5.1
211.07513	7.0
212.08342	18.0
213.09119	26.1
214.06244	4.6
214.09854	2.4
215.07005	2.2
215.10670	9.1
215.14371	3.0
217.08609	28.8
217.12254	3.3
219.10155	4.4
222.06725	2.2
223.07573	20.0
224.08427	3.8
225.05527	4.6
225.09131	3.3
227.07082	3.5
227.10661	50.6
229.08578	18.9
231.10144	28.3
237.09149	5.1
240.07803	15.1
241.08624	13.8
243.10193	8.6
245.11760	17.4
255.10172	79.2
256.10715	2.8
273.11224	100.0
291.12241	8.5
333.13269	2.2
359.11295	5.3
377.12241	19.8
377.15842	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.44333	0.5
53.03927	1.8
55.01860	1.2
57.03435	8.6
59.04983	1.2
61.02902	2.3
61.06738	0.5
69.03431	13.1
70.91853	0.9
70.92168	0.6
71.01373	2.4
71.04990	3.2
73.02918	2.4
74.06057	2.3
75.04483	2.4
81.03425	3.6
96.77457	0.5
99.04440	4.3
117.05474	1.7
122.17153	0.5
130.06372	0.5
145.07611	2.6
159.09189	0.8
170.07141	1.1
172.08702	36.2
190.09702	1.1
198.06604	7.3
200.08209	5.4
214.09764	0.7
216.07686	18.5
218.09161	0.9
243.08778	75.3
244.07060	0.6
244.09233	0.7
292.52039	0.5
295.61368	0.5
316.12805	0.7
359.13550	4.3
377.14557	100.0
378.14951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01867	1.7
55.05508	1.0
56.05024	2.4
56.96562	2.0
57.03433	1.6
58.19514	0.8
60.68685	0.8
61.01141	1.6
61.02932	1.0
69.03410	2.7
69.07091	1.4
70.06244	0.8
70.06596	6.1
71.60744	1.2
72.08138	3.0
73.02914	1.5
74.06067	4.0
76.87214	0.9
78.66405	0.9
79.05495	12.5
81.03424	1.5
81.07043	3.6
84.04496	2.3
84.08167	2.0
85.02905	5.3
86.06075	0.9
86.09702	4.0
91.05479	4.8
93.07052	13.0
93.61761	0.9
95.04961	2.9
97.02914	1.9
98.97590	4.9
103.05472	100.0
104.05304	3.0
105.03386	0.9
105.07040	1.9
107.04947	2.2
109.02870	1.0
110.07116	0.9
110.97598	1.0
112.02181	2.8
116.07101	1.5
116.98622	1.5
121.02821	1.2
121.06506	13.3
122.06013	0.9
126.09081	0.9
127.03899	1.0
130.16046	0.9
131.04916	8.5
132.04492	1.7
135.04427	1.5
135.08080	4.5
136.07658	1.0
137.06006	1.8
139.07564	1.1
140.07048	7.2
147.04401	1.3
149.05975	11.2
153.09131	1.1
153.36302	0.9
157.19894	1.0
163.03931	4.9
163.07545	47.9
164.04315	1.2
172.11501	1.9
181.08569	2.7
188.06949	1.1
203.08105	1.5
215.08078	1.7
216.12222	1.2
217.13678	5.2
219.01601	1.0
237.02820	1.4
245.13318	1.0
350.11282	0.9
378.08484	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.0
58.06599	1.7
59.10663	0.8
67.05518	0.9
68.88912	0.7
69.07071	0.7
69.63232	3.5
69.63657	1.0
72.04527	1.6
74.05696	1.2
74.06081	13.8
75.06405	1.6
78.58182	0.6
81.07063	1.2
86.06067	2.9
89.02558	0.7
90.37610	0.6
91.05505	3.5
93.07070	1.0
95.04932	0.9
105.07032	1.5
107.20468	0.7
152.05672	2.8
167.03116	0.7
227.05341	1.4
271.04245	3.2
275.08948	1.0
293.09988	5.6
307.24808	0.9
311.09952	1.1
317.09973	2.1
325.25754	1.7
335.11017	36.4
342.26349	2.1
343.26801	3.1
347.12042	1.0
360.27478	1.6
361.27692	4.0
378.28552	5.2
379.10034	100.0
379.28815	8.0
380.10400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71694	1.3
55.05494	1.6
56.96573	6.7
57.03438	2.6
66.46212	1.6
68.25702	1.6
69.03425	4.5
69.07067	1.5
70.06588	14.5
71.04990	1.9
71.60551	1.7
72.08145	3.6
73.02915	1.7
74.06095	2.1
76.00440	1.4
81.03417	2.8
81.07053	1.5
84.04503	2.3
84.08152	2.8
85.02902	5.2
85.38041	1.5
86.09704	5.0
89.03939	2.1
91.05491	3.1
97.02890	1.6
98.06072	1.8
98.97578	8.4
103.05473	3.4
107.04954	3.0
110.97550	2.3
112.08724	3.4
116.98592	3.1
117.03382	1.9
117.05717	1.5
118.06532	5.1
119.04949	6.2
124.07551	3.0
127.03917	1.8
128.98602	3.8
130.06528	28.8
132.04462	3.1
132.08054	7.5
135.04431	3.6
136.07542	6.8
143.00177	2.0
145.02800	2.2
145.07602	7.2
146.06015	64.9
146.99628	1.7
147.04419	7.0
155.06084	1.7
157.07565	3.1
158.06023	45.9
158.97421	4.7
158.99666	2.7
159.06847	6.8
160.07578	21.4
162.05595	1.8
163.03902	12.9
167.07019	1.7
169.02631	2.5
170.99742	1.6
172.04308	4.3
172.07588	10.6
173.07072	8.0
174.05505	1.8
174.07903	3.3
175.08714	4.4
177.05414	1.8
184.07591	3.7
189.10208	3.0
196.07663	1.7
198.05478	3.5
201.06689	5.8
203.08069	3.9
217.09747	8.3
219.01659	2.4
233.02710	10.5
233.06682	1.5
234.99002	13.2
237.02834	3.0
244.54376	1.7
246.57387	1.4
253.00108	2.1
259.08719	2.9
270.07742	15.4
271.08652	3.0
271.12250	1.5
272.09305	2.6
273.10233	2.8
274.07175	1.5
275.08139	11.3
277.63980	1.6
280.11072	1.7
284.09482	5.5
287.08289	2.0
287.11749	4.3
288.08908	28.1
288.11877	3.0
289.10010	2.9
289.13489	5.2
291.11371	2.6
298.10037	2.3
299.11829	27.8
300.12469	3.6
301.03632	3.9
301.09637	4.5
302.10376	5.7
305.12897	11.6
316.11292	2.4
317.12857	74.7
318.12891	1.8
319.04660	4.4
332.10107	2.0
333.12250	2.4
334.15408	6.5
344.10367	2.5
344.14014	20.7
350.11371	3.0
361.12915	3.4
362.15018	100.0
363.15594	3.4
379.14096	12.1
379.18042	15.3
379.21170	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.5
57.07079	4.8
58.57847	0.9
59.05000	1.5
64.14238	0.9
64.96281	0.8
67.05510	6.5
67.58796	0.9
69.07076	4.8
70.18185	4.8
71.04990	2.7
71.08628	4.0
79.05495	4.1
81.07062	7.9
83.08626	3.1
85.06544	1.1
85.10216	1.3
91.05481	12.5
93.07059	16.3
95.04976	3.5
95.08615	10.0
97.10194	2.6
99.04476	1.6
105.07045	15.7
107.08610	30.1
109.06496	2.5
109.10191	7.4
111.04453	0.9
111.11729	1.5
119.04950	1.9
119.08589	5.9
121.06506	7.1
121.10147	1.8
123.04470	1.4
123.11700	2.5
131.08537	1.9
133.10146	42.2
135.11702	11.3
137.05934	2.0
137.09628	2.3
145.10162	1.4
151.11206	1.9
159.11740	1.6
161.09647	23.4
173.13176	1.0
179.10689	100.0
180.11000	1.8
195.12073	1.2
197.11707	5.0
201.18495	2.3
241.19608	1.8
353.60101	1.0
379.35141	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	379.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.3
56.96582	2.0
57.03405	1.3
57.07084	3.0
64.91753	1.1
67.05492	6.2
69.03435	3.1
69.07058	2.5
70.06581	5.9
71.05013	1.6
71.60213	1.4
72.08112	1.3
76.91721	1.2
79.05485	5.6
80.04987	1.7
81.03401	2.6
81.07060	11.3
83.08627	2.8
84.08138	1.9
87.08104	4.1
88.63356	1.3
88.97320	1.5
91.05484	6.7
93.07024	7.5
94.06570	6.0
94.42680	1.2
95.05011	2.8
95.08616	10.5
98.97598	2.5
103.05457	1.4
105.07008	8.3
106.06554	3.5
107.04943	2.2
107.08570	5.2
108.08106	6.9
109.02877	2.0
109.06567	2.4
109.10153	2.9
117.07000	3.2
118.06536	6.3
118.37067	1.3
119.08577	8.5
120.08083	5.4
121.06542	2.1
121.10131	3.7
122.09644	2.7
125.09652	2.1
129.06966	1.7
130.06548	3.2
131.08577	3.5
132.08087	9.0
132.08981	1.4
133.08858	3.2
133.10149	5.8
134.09634	3.9
137.06004	1.4
143.08514	2.6
145.10175	2.4
146.09666	2.9
147.11729	2.2
149.13258	1.8
157.10109	3.3
158.09679	2.1
159.08067	1.9
159.11702	4.1
160.11276	1.7
161.09583	1.8
161.13275	2.8
162.12779	8.3
171.11687	3.0
172.11101	1.9
174.12784	3.4
175.13512	1.6
176.14368	20.1
180.13741	2.3
181.04996	1.9
181.10159	1.6
188.14310	3.6
189.16400	2.0
193.12282	1.5
197.13213	1.5
201.12918	1.4
204.13974	1.4
217.15919	2.1
222.14864	5.4
232.16995	2.2
234.14943	3.3
236.16479	13.9
246.12485	1.5
248.16472	4.0
250.17996	3.2
258.22144	1.8
260.16434	3.1
262.17975	4.5
266.17520	4.3
273.26184	2.5
276.19531	2.4
286.21658	6.9
292.19135	2.3
292.22501	2.9
304.22714	63.0
317.28839	2.3
330.24298	37.1
331.24985	1.4
332.10144	2.3
347.26965	100.0
348.27216	3.4
362.11276	4.1
362.27112	6.4
379.07947	4.0
379.12933	1.6
379.20749	4.5
379.25461	2.1
379.33163	11.9
380.28027	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47317	15.8
89.61890	4.7
108.47383	5.2
191.03320	4.8
191.58582	5.0
207.82816	5.5
344.37042	4.9
381.07919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23742	4.6
56.77159	3.9
63.39691	3.8
64.33539	4.4
71.51060	5.2
71.51399	5.1
88.44170	4.0
99.96421	3.9
101.80721	3.9
102.50623	4.5
104.09109	3.9
147.46037	4.0
152.25453	4.8
201.01669	5.5
271.58902	4.8
381.07959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.79271	0.4
56.05022	0.4
56.96564	0.9
57.03435	0.7
60.04518	0.6
67.05501	0.8
69.03419	1.1
69.07060	0.6
70.06596	2.4
70.49413	0.4
71.04981	0.4
71.60724	0.4
72.08150	0.9
73.02914	1.3
73.08501	0.4
74.06075	1.3
79.05473	0.7
81.03418	0.6
81.07053	0.8
82.07414	0.3
83.04989	0.7
84.08139	1.5
85.02902	1.2
86.09698	1.5
89.03928	0.5
91.05462	1.1
97.02892	0.7
98.05996	0.4
98.97581	1.5
101.07953	0.4
106.06631	0.3
107.04978	0.6
109.02862	0.4
109.10200	0.4
111.04457	0.5
116.98658	0.5
119.04985	0.7
119.08576	0.4
121.02864	0.8
127.03899	0.7
132.04456	0.4
135.04475	0.4
139.04056	0.4
145.02838	0.8
146.06018	0.7
147.04440	0.8
149.83987	0.4
151.03864	0.5
153.09079	0.4
163.03981	2.0
171.14839	0.4
175.03990	0.5
177.05408	0.5
202.06750	0.8
206.79420	0.4
207.06534	1.3
219.06244	0.5
219.17749	0.5
231.01607	0.4
237.02873	0.6
252.03925	0.5
270.10361	0.5
271.10989	1.2
274.09940	0.4
285.09726	0.4
293.08942	0.9
315.10040	0.5
333.11142	1.3
345.13437	0.7
346.12088	0.6
363.14597	4.8
364.19574	0.4
375.11520	0.4
381.11545	100.0
382.11761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01870	2.8
55.05503	1.8
56.96562	1.6
57.03440	1.3
59.05004	1.3
61.02895	0.7
63.02365	0.7
67.05520	3.3
69.03438	9.4
69.07063	2.4
70.06595	1.2
70.57886	2.1
71.04999	3.3
72.08115	0.6
73.02903	0.7
79.05489	2.5
81.03423	12.5
81.07066	5.2
83.04989	1.0
83.08600	1.0
85.02908	2.4
85.06551	0.7
89.03914	8.6
91.05490	3.1
93.07051	4.0
95.04929	1.2
95.08617	2.4
97.02903	15.0
97.06525	1.9
98.97591	1.2
99.04465	16.6
101.02380	1.2
102.02774	0.8
105.07042	2.9
107.04946	1.2
107.08594	3.3
109.02889	20.8
109.06487	0.8
109.10151	2.2
110.03082	0.6
111.08084	1.0
117.03393	26.4
117.04225	1.5
117.06998	1.3
119.03410	1.8
119.08582	2.7
121.02897	0.8
121.10168	2.2
123.11716	0.9
123.55975	0.6
125.09679	1.2
126.73721	0.6
127.03925	26.8
131.08569	1.2
133.10117	1.5
134.03642	2.2
135.04414	1.9
135.08022	1.1
135.11731	1.0
137.05957	1.3
139.54503	0.6
143.08562	0.6
145.02858	53.7
145.10149	3.3
146.03244	0.6
146.06091	0.7
147.04446	0.7
147.08044	0.7
147.11679	1.1
149.05988	7.6
149.09547	0.7
151.07574	0.7
157.10083	1.2
159.08031	0.9
159.11731	1.6
161.13217	0.9
163.11211	1.3
165.09167	1.7
169.89621	0.6
171.11653	0.9
173.09554	1.1
173.13220	0.6
175.11203	0.7
177.05484	100.0
178.05794	1.2
185.13309	0.7
186.05536	1.8
187.03847	0.5
187.06013	1.1
191.06885	0.6
195.06618	1.2
199.11508	0.7
201.16360	0.9
215.18150	0.7
249.07574	4.7
267.09113	0.6
285.10175	1.2
288.07886	0.8
289.17966	1.4
306.08905	0.9
321.09723	3.0
333.11081	1.1
363.10541	1.2
363.14536	1.6
366.11115	0.7
381.13214	5.6
381.18588	2.5
381.22714	1.3
381.27380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.3
55.01880	36.0
55.05517	33.4
56.96572	8.6
57.03223	3.9
57.03442	46.3
65.03928	5.0
67.05511	81.5
67.53592	4.1
69.03416	10.0
69.07072	27.8
70.34473	13.2
79.05495	77.4
81.03419	22.0
81.07059	85.7
83.01333	11.4
83.04987	44.4
83.08620	8.3
85.02921	4.7
85.06537	7.0
90.19045	3.3
91.04948	6.7
91.05490	85.9
93.07053	72.5
94.04144	4.3
95.04975	67.3
95.08606	50.3
97.02887	9.2
97.06534	9.4
97.10156	6.3
98.07295	4.4
98.97576	4.5
103.05448	7.7
105.07047	70.6
107.04272	6.6
107.04961	100.0
107.08595	26.8
107.28993	3.4
108.05767	5.9
109.06520	38.1
109.10159	22.0
110.07262	4.3
111.04468	10.7
111.08070	5.8
112.05214	9.2
113.06016	4.5
115.05475	8.8
116.04677	4.1
117.07030	42.6
119.04954	8.5
119.08576	42.1
120.05672	4.7
121.03945	3.9
121.06483	19.6
121.10130	21.4
122.07309	19.1
123.04404	12.4
123.08070	7.8
123.11716	4.4
125.06001	8.6
125.09608	5.7
128.06227	6.6
129.05475	7.5
129.06995	17.4
131.08592	34.0
133.06511	33.1
133.10121	16.5
135.08093	20.0
135.11708	17.4
137.05983	8.1
137.09630	8.5
141.06993	10.5
142.07724	4.2
142.35027	3.3
143.08554	21.0
145.06516	24.6
145.10152	26.3
147.04314	3.8
147.08070	31.7
147.11691	12.4
149.09619	8.2
149.13290	6.8
151.07527	5.5
155.08505	7.4
157.10153	10.5
159.08046	11.5
159.11673	7.8
161.09627	19.9
161.13232	8.5
162.10445	7.3
163.11128	9.6
165.09142	6.5
169.10106	10.2
171.11711	8.4
173.13261	13.1
175.11264	10.1
177.12755	4.0
187.11191	6.9
187.14769	8.6
189.12852	4.9
195.11790	4.4
197.13286	6.7
205.15779	8.2
215.14308	14.0
231.08052	4.7
232.08873	4.4
233.15367	55.9
243.13818	4.9
251.16426	7.6
260.08340	5.9
261.14804	8.5
263.07074	6.0
273.18506	5.2
277.08691	3.7
288.07822	6.4
290.18805	10.2
291.06537	9.4
305.07809	4.9
306.08902	8.9
307.19089	28.1
308.06705	4.3
320.06787	5.0
321.11194	9.9
323.09225	8.8
335.09164	7.3
335.18616	46.3
349.10767	11.5
351.08612	13.9
363.14313	5.6
366.10846	12.6
381.08463	5.6
381.13379	93.8
381.23007	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
53.14479	4.8
55.01878	34.6
55.05521	25.3
56.96551	14.1
57.03444	46.1
61.02914	5.4
65.03944	6.2
67.05508	79.5
69.03437	8.0
69.07070	23.7
71.01348	4.8
71.04971	11.4
71.61006	8.6
79.05501	72.1
80.06244	4.8
80.41808	4.5
81.03413	21.4
81.07063	79.5
82.56330	4.9
83.01338	11.3
83.04984	33.9
83.08624	11.8
85.02872	8.6
85.06544	7.3
91.05479	84.4
93.07047	62.0
94.04195	5.1
95.04971	67.2
95.08607	46.3
97.02874	13.2
97.06521	16.0
97.10171	7.4
98.97570	8.9
103.05465	5.1
105.07037	61.6
107.04276	7.2
107.04963	100.0
107.08614	39.0
108.05670	5.6
109.06540	28.1
109.10154	19.6
111.04427	10.8
111.08109	6.5
112.05211	6.8
115.05452	10.3
116.06220	5.7
117.07030	39.7
119.04928	11.2
119.08595	52.0
121.06516	26.7
121.10155	16.0
122.07271	18.4
123.04453	12.3
123.08109	7.0
123.11721	8.0
125.05981	6.6
128.06230	7.5
129.05481	9.8
129.07013	20.3
131.08572	47.5
133.06497	28.7
133.10115	20.6
135.08046	18.2
135.11705	14.1
137.09604	11.2
143.08569	15.8
145.06479	19.6
145.10141	27.7
147.08055	36.5
147.11710	9.1
147.61995	4.2
149.09572	10.3
149.13264	8.2
151.07553	6.7
151.11185	5.7
155.08549	10.2
157.10130	9.3
159.08043	7.0
159.11714	11.7
161.09595	17.9
162.10352	5.9
163.11205	14.0
165.09142	8.6
169.10196	6.8
171.11659	7.9
173.09686	5.5
173.13239	14.7
175.11157	10.0
177.12761	8.6
187.14886	11.5
189.12843	9.1
197.13251	7.2
205.15880	8.1
215.14330	16.9
233.15413	45.3
251.16341	12.1
257.10535	6.7
261.14740	6.5
267.09116	11.4
269.10635	12.3
273.18500	11.5
283.12238	5.3
285.10199	13.6
287.11835	5.1
287.82819	5.3
289.17801	6.1
301.13116	12.7
307.18976	21.3
335.18607	55.0
366.11127	8.9
381.13434	40.1
381.22745	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	382.082
Annotation	Metsulfuron-methyl
Peak:m/z	Relative Intensity
51.02385	0.3
51.34790	0.2
53.03956	1.4
55.05504	0.4
56.01403	0.2
56.05040	8.6
56.96564	0.2
57.03439	0.3
57.04565	2.6
58.02681	0.3
58.02961	4.3
67.02997	0.3
67.05502	0.5
69.00921	3.5
69.07060	0.4
70.06602	1.5
71.14755	0.3
77.03948	0.3
79.05494	1.6
80.83965	0.2
81.03414	0.6
81.07077	0.4
82.24519	0.2
83.02467	6.4
85.02912	0.3
85.04026	1.0
85.32868	0.2
89.48138	0.2
90.03445	0.7
91.05503	0.4
92.02636	0.5
93.07073	0.3
95.04965	1.9
95.08605	0.6
97.02885	0.3
98.97565	0.2
100.05094	0.8
105.03407	0.4
105.04505	0.8
105.07036	0.4
107.04980	0.4
107.08607	0.4
116.98665	0.3
119.08597	0.2
120.02056	0.3
133.10139	0.3
135.04430	10.3
141.07726	21.0
146.02385	0.9
149.02353	0.3
158.99651	0.2
167.05658	100.0
168.05940	0.7
184.00699	0.4
189.14125	0.2
193.04979	0.6
199.00626	10.8
209.98593	1.5
229.07570	0.3
350.05737	0.2
382.08240	0.5
382.13736	0.3
382.22391	0.4
382.26675	0.4
383.14893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.07073	2.6
67.05502	3.3
69.07056	4.1
70.02965	2.9
70.06582	8.8
71.40076	3.0
72.04520	12.5
73.02904	2.7
85.02896	4.9
85.06540	3.9
86.09717	2.9
89.08389	1.9
90.05029	3.5
90.05560	57.7
95.04975	3.5
98.02419	8.2
103.07588	5.3
116.03450	7.6
124.07586	11.7
142.08623	5.0
145.02904	2.8
159.54410	2.2
163.03844	2.3
173.90895	2.7
174.11189	2.1
184.09708	11.1
202.10788	22.2
220.11810	100.0
235.54613	2.3
272.11026	2.0
304.01700	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	382.1723
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
51.73446	0.3
53.03945	0.4
57.03431	0.6
60.04516	1.0
61.02927	0.7
67.05503	0.7
69.03438	2.7
70.70772	0.9
73.02906	0.6
81.03430	0.8
85.02917	3.5
87.04448	0.6
97.02900	2.2
99.04418	0.4
109.02865	0.6
119.03561	1.0
120.08144	0.4
126.05476	0.4
127.03979	0.6
136.06189	100.0
137.04585	0.7
137.06633	0.4
147.04446	0.5
148.06201	5.3
159.06682	0.8
163.03932	0.9
178.07294	0.6
178.20668	0.3
180.24837	0.3
185.08244	3.7
185.11757	0.4
199.07027	0.3
202.10881	7.9
220.11934	82.0
221.12204	1.2
256.12805	0.3
289.80139	0.3
289.83511	0.3
318.56427	0.3
353.41730	0.3
364.15433	0.5
364.26880	0.5
382.17236	59.2
383.13120	1.8
383.17578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
56.96566	12.1
57.03444	7.4
61.02921	11.7
69.03426	23.0
73.02875	8.7
81.03409	20.6
84.79380	5.6
85.02905	59.4
87.04422	6.7
97.02879	30.7
98.97572	58.7
99.04453	6.0
103.03980	5.6
109.02863	10.5
110.07149	14.1
110.45406	4.8
115.05483	4.8
116.98621	19.8
118.06538	16.7
119.61371	5.0
127.03933	12.7
130.06514	86.5
132.04489	29.6
132.05334	7.2
132.08080	20.7
134.05992	13.8
134.99648	5.7
142.06552	9.7
144.07031	7.7
144.08066	39.0
145.05057	6.9
145.07568	25.6
145.33878	4.2
146.05998	40.3
148.07553	13.5
156.08070	12.8
157.07639	42.1
158.06013	79.0
159.09160	17.1
160.07562	21.4
161.07172	6.4
162.05534	12.2
168.08057	7.8
169.07635	28.8
170.05969	9.4
170.08365	8.4
171.09187	14.6
172.07549	17.3
174.05498	8.4
175.08675	95.3
180.07957	5.8
181.07581	6.3
182.05984	7.8
183.05057	6.3
183.09190	18.2
184.07623	12.8
185.07072	34.9
186.05458	6.3
187.08600	10.4
188.07170	9.1
197.07103	7.8
198.05554	6.1
199.08595	9.9
200.07138	17.2
203.08128	56.6
203.68993	4.9
204.06580	31.2
207.09200	6.6
210.09113	10.8
211.08563	5.7
212.07149	11.8
212.57442	4.9
215.08151	23.5
216.08960	13.3
217.09706	22.7
221.09206	83.0
231.07697	25.0
233.07074	8.6
233.09283	11.8
235.08708	6.7
237.10159	6.6
245.09187	13.8
250.08907	5.8
257.09229	10.0
258.99820	23.9
260.13907	6.4
260.44638	5.3
263.10156	16.4
264.07748	6.6
266.08041	7.2
269.09274	13.6
277.00839	28.4
277.05859	8.3
281.09406	6.7
299.10242	51.0
304.08359	7.7
311.10440	9.1
319.10602	23.8
323.10083	15.4
329.11182	16.4
330.09689	16.8
336.13409	16.5
347.12335	100.0
365.13379	49.5
366.14557	7.8
383.08133	9.1
383.14285	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	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01841	1.4
57.03424	3.3
57.27173	1.6
61.02908	5.4
69.03440	8.1
71.52454	2.1
71.52792	1.7
73.02894	1.7
74.02425	1.6
81.03385	6.5
85.02905	24.9
94.06549	2.6
97.02908	7.4
98.21250	2.3
103.03926	2.3
109.02872	3.6
117.05753	2.3
118.06513	6.1
120.04426	1.7
127.03909	4.7
128.72820	1.4
130.06538	60.1
132.04437	12.5
132.08069	5.2
133.83504	1.6
134.06079	1.9
142.06541	2.2
144.06914	2.7
144.08080	21.0
145.07614	21.6
146.05994	10.3
148.07542	4.9
154.06480	4.5
156.08055	2.8
157.07616	53.4
158.06027	46.8
158.08171	2.1
159.09166	7.8
160.07555	2.8
166.06558	2.1
169.07591	5.9
170.06030	3.7
171.09174	8.2
172.07547	9.5
173.06999	1.6
174.05504	5.2
175.08681	54.3
176.06953	1.6
181.07562	3.5
183.09239	13.1
184.07556	2.9
185.07080	11.4
186.05402	2.6
186.07848	2.0
187.08653	1.9
188.07228	2.3
197.07239	1.7
198.05531	1.8
199.08661	9.6
200.07089	14.6
201.10051	2.0
203.08167	100.0
204.06639	2.2
207.09201	1.9
209.07109	6.2
210.08990	1.7
215.08261	2.5
216.06686	2.2
216.08983	2.7
217.09705	29.8
221.09215	42.7
223.08585	1.8
227.08266	9.3
231.07666	6.5
233.09143	1.8
245.09207	17.8
257.09143	1.6
263.07703	2.8
263.10303	41.4
275.10349	1.5
287.10519	2.0
299.10141	5.0
329.11331	3.1
347.12241	8.6
348.10748	9.7
365.13440	28.8
383.14441	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	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
55.01858	12.0
55.05498	13.6
57.03433	8.6
61.02935	7.0
65.03924	4.5
67.05506	20.9
68.99778	12.4
69.03125	3.9
69.03437	46.1
69.07062	7.4
70.84098	3.6
70.84446	8.1
71.04989	6.8
73.02916	7.3
79.01852	3.9
79.05505	29.4
81.03427	32.5
81.07063	49.1
83.04990	10.3
83.08611	3.5
84.28693	2.7
85.02911	50.4
85.33724	3.2
87.00836	23.3
87.04403	3.1
91.05490	39.7
93.07048	77.3
95.04982	23.1
95.08620	30.4
97.02893	24.6
97.06532	9.4
98.97608	3.9
99.04457	8.4
99.38920	3.0
103.03930	8.1
105.01887	7.4
105.07030	65.6
107.04964	12.4
107.08602	81.7
109.02894	18.3
109.06529	14.5
109.10147	15.0
111.04456	12.4
111.08087	3.0
113.06007	3.6
115.03908	6.3
115.05421	3.9
115.10350	3.1
117.06997	10.9
119.08584	27.4
121.06496	12.1
121.10172	24.3
123.04422	5.2
123.08054	7.8
123.11715	12.0
125.06010	6.2
127.03909	14.0
128.06236	4.8
129.01817	7.9
129.07010	6.8
130.07820	4.2
131.04910	4.0
131.08568	20.3
133.06528	7.9
133.10138	29.1
135.04417	5.9
135.08054	9.0
135.11691	41.2
137.02335	13.8
137.05995	7.0
137.09590	8.5
137.13249	5.1
139.07532	5.1
141.06937	4.5
142.07787	4.6
143.03352	3.4
143.08580	11.4
145.04979	6.5
145.06424	3.7
145.10164	21.3
146.06073	3.2
147.04413	6.5
147.08069	7.5
147.11690	33.6
149.06010	5.2
149.09648	6.5
149.13266	8.6
151.07524	6.0
155.08549	6.9
156.09325	3.2
157.10158	10.3
159.02852	8.2
159.08031	7.3
159.11755	21.1
161.05984	6.4
161.09590	4.3
161.13200	3.9
163.03873	6.8
163.07555	3.2
163.11147	23.6
165.01830	5.5
165.12756	26.7
167.07033	10.0
167.08423	4.8
169.10098	7.7
171.11722	5.8
173.09569	4.8
173.13258	5.9
175.11191	14.0
177.05614	3.7
177.12764	13.9
181.08681	4.0
183.08139	4.7
183.11656	3.8
187.11250	6.2
189.03934	5.7
189.12685	10.8
191.14331	5.2
193.08618	3.4
193.12228	6.7
197.13263	5.9
201.03914	6.6
201.09050	5.1
201.12912	8.1
205.04935	5.3
205.12299	3.5
214.99043	3.1
215.14308	8.8
219.08099	10.1
219.13815	12.3
220.08665	4.1
221.07996	16.4
221.15495	4.9
225.12816	4.7
229.04999	6.1
229.08636	4.4
231.08066	4.0
231.13834	5.0
233.09518	3.9
233.15300	4.3
235.11102	3.8
243.13806	35.2
247.07529	8.7
248.08275	8.9
259.07544	3.2
261.09247	5.9
261.14856	50.4
262.06381	3.2
262.09897	5.8
263.10690	7.4
265.08496	4.2
271.06009	6.9
272.06723	4.3
275.06891	6.3
276.07748	12.5
277.08621	8.0
279.06500	3.4
279.15945	11.3
283.06003	3.6
285.92966	4.0
290.09470	5.8
291.10138	12.7
292.07230	7.2
293.08194	7.8
293.11560	3.0
295.06207	4.5
299.05536	39.7
300.06311	9.9
305.08264	5.2
307.06210	6.8
307.09650	5.6
308.10611	4.6
311.05518	13.9
313.06998	5.5
319.09866	5.5
320.06842	4.1
321.07614	8.8
321.11066	3.9
322.08496	4.2
323.05563	4.7
323.09094	4.0
323.12595	4.6
327.08722	8.3
329.06528	7.2
336.09824	4.6
337.07028	14.7
337.10794	8.5
347.14801	13.7
351.04785	3.2
351.08600	6.5
351.12326	14.9
352.12906	3.8
353.10245	10.6
355.08173	8.9
365.06409	8.3
365.11621	4.5
365.15805	26.1
368.12610	10.5
383.07565	100.0
383.14929	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76754	1.3
53.03934	4.6
55.01867	2.9
55.05499	5.0
56.96560	1.5
57.03425	4.2
61.02926	2.7
65.03936	3.4
67.05503	9.5
68.99776	4.9
69.03127	2.1
69.03435	21.7
69.07049	3.5
71.04982	5.0
71.59890	2.3
72.08134	1.5
73.02909	1.9
79.05503	13.5
80.59644	1.4
81.03414	10.3
81.07061	18.8
83.04960	4.5
84.08148	3.2
85.02907	15.8
87.00827	8.6
91.05485	20.2
93.07050	42.1
95.04980	9.1
95.08611	12.4
97.02890	11.8
97.06531	3.8
98.97565	2.3
99.04441	3.1
103.03934	1.7
105.07034	30.8
107.04938	5.5
107.08594	39.6
109.02863	4.2
109.06541	7.1
109.10141	6.5
110.06104	1.5
110.07245	1.6
111.04453	8.4
115.03918	2.6
115.05447	2.6
117.07008	5.7
119.04929	1.6
119.08598	12.2
121.06483	6.2
121.10175	13.8
123.04439	5.2
123.08035	3.0
123.11706	4.8
125.05997	1.9
127.03892	3.6
128.06219	2.1
129.01785	2.7
129.05490	2.5
129.06963	3.1
129.10249	1.9
129.95662	1.4
131.04890	1.6
131.08543	7.5
133.06476	3.7
133.10152	12.1
135.04468	2.0
135.08032	3.6
135.11699	19.2
137.05986	4.1
137.09601	2.2
141.07002	3.4
142.07840	3.8
143.08559	6.1
145.02835	1.5
145.06454	1.7
145.10106	11.4
147.08012	2.9
147.11682	14.1
149.06001	3.1
149.09592	2.4
149.13225	3.6
151.11154	2.5
152.05669	2.6
153.05423	3.3
153.07100	1.7
155.08543	3.5
157.06508	2.5
157.10165	8.0
158.07298	1.7
159.02840	2.1
159.08038	3.4
159.11699	8.9
161.09579	2.3
161.13264	1.6
163.03963	2.1
163.07494	1.9
163.11211	15.6
165.06886	2.2
165.12778	11.8
167.07101	3.7
169.10136	1.7
170.07213	2.4
171.11688	4.0
173.09662	4.0
173.13142	1.5
175.07509	1.7
175.11174	6.9
177.05435	3.2
177.09157	2.6
177.12737	5.9
178.06104	1.7
179.07114	2.1
181.08682	2.4
185.13196	1.4
186.06703	2.7
187.07574	2.0
187.11189	2.2
189.12724	2.8
190.06276	3.3
191.03525	2.3
191.07013	2.7
191.08597	4.2
191.14255	2.1
193.08551	3.2
193.12163	3.2
197.13310	3.1
198.87604	1.4
199.11197	1.6
201.03906	3.1
201.09090	5.2
201.12679	5.2
202.07750	5.3
203.08539	2.4
203.10579	2.0
205.06439	4.6
205.12209	2.2
207.13675	1.6
214.06175	1.8
215.08585	2.3
215.14294	5.6
218.07187	3.6
219.08081	10.9
219.13795	4.4
220.08789	5.6
221.08052	7.7
221.15443	1.6
222.06764	2.0
225.12766	2.7
229.08585	8.0
230.07291	3.5
231.08046	9.3
231.13948	2.2
232.08774	3.0
233.05968	4.9
233.09525	4.9
233.15324	1.9
234.06725	2.8
235.07481	2.7
235.11189	2.6
237.09164	2.4
238.06227	1.6
243.13791	16.8
245.09662	3.6
246.06824	2.9
247.07585	16.3
248.08299	12.8
249.05484	1.7
249.09077	3.8
250.06267	3.3
251.06993	2.7
253.08682	1.8
258.06821	2.0
259.07523	6.3
260.08264	2.5
261.05588	2.4
261.09030	7.3
261.14841	22.8
262.06247	4.2
262.09897	4.5
263.06976	4.4
263.10645	12.5
264.07794	4.4
264.10727	1.5
265.08588	6.8
267.06345	2.0
274.06125	1.7
275.07016	8.1
276.07770	14.3
277.05087	3.7
277.08554	8.3
278.05618	2.7
279.06564	2.8
279.10358	3.1
279.15918	4.6
282.09103	1.7
289.05200	1.7
289.08536	3.6
290.06198	1.7
290.09219	6.9
291.06961	3.1
291.10114	21.9
292.07309	9.2
292.10504	2.3
293.08136	13.4
293.11145	2.7
294.08820	2.1
295.05997	2.2
297.11365	1.6
297.16711	1.9
299.05460	4.0
303.06329	1.7
304.07162	2.9
305.08096	7.0
305.11517	2.6
307.06216	3.7
307.09641	9.4
308.06992	2.2
308.10355	6.7
309.07455	2.3
309.10959	2.3
310.08356	1.7
318.08716	2.9
319.09592	8.7
320.06900	1.9
320.10367	2.2
321.07492	6.0
321.11047	2.1
322.08432	3.2
322.12021	4.1
323.09299	3.4
323.12759	17.1
325.10690	2.9
335.09042	4.1
336.09906	7.9
337.07104	2.1
337.10760	13.2
338.07651	4.1
347.14990	9.7
350.11536	2.0
351.08578	3.2
351.12314	20.5
352.13016	9.9
353.10248	18.3
365.11505	4.0
365.15970	9.6
368.12585	19.3
383.14902	100.0
384.15149	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35987	1.6
51.60271	1.6
52.87544	1.6
53.03939	7.4
55.01875	15.9
55.05515	60.1
56.96570	1.9
57.03442	22.5
57.07079	2.0
59.05007	2.9
65.03937	4.5
65.41439	1.7
67.05508	70.2
68.96150	1.6
69.03423	10.0
69.07072	34.8
71.04988	4.8
72.93769	5.7
73.02916	2.0
75.87997	1.6
79.05059	3.6
79.05501	64.3
81.03413	20.8
81.07061	100.0
83.04978	23.3
83.08620	29.5
85.02912	8.6
85.06546	4.0
89.04803	1.7
90.94829	2.9
91.05484	39.0
93.07043	42.7
95.04972	22.9
95.08611	40.5
97.06524	11.0
97.10174	42.9
99.04428	5.3
99.08067	5.6
105.07034	32.3
107.04954	14.9
107.08585	31.0
108.22082	1.9
109.02863	2.5
109.06509	12.5
109.10153	20.4
111.04452	21.2
111.08108	12.7
113.06076	1.9
115.05513	2.9
117.07024	11.4
119.08590	25.1
121.06525	10.2
121.10139	19.4
123.08081	44.0
123.11711	3.6
125.05973	2.0
125.09638	44.7
128.96333	2.8
129.06987	5.9
131.08539	16.5
133.06453	2.5
133.10155	13.5
135.08055	12.9
135.11707	14.6
137.09561	8.6
139.11179	3.0
143.08557	4.8
143.10678	3.5
145.06566	2.3
145.10114	15.2
146.10507	2.0
147.08043	7.3
147.11646	7.3
149.09610	7.0
149.13254	4.1
153.09109	7.2
153.12726	9.9
155.08583	3.5
157.10127	6.4
159.11699	5.9
161.09615	4.7
161.13348	3.5
163.11172	27.1
165.09123	7.5
167.07101	2.8
171.10130	3.8
171.11627	4.0
173.09654	4.7
173.11746	2.0
173.13208	3.5
175.11171	5.7
177.12727	4.5
181.12219	12.2
189.11229	45.2
189.12860	3.2
191.10628	10.5
193.12210	8.8
195.11591	1.9
199.14780	2.8
219.08023	2.9
221.08026	3.1
223.13217	3.7
227.12741	15.6
227.17909	2.3
229.05193	4.6
245.18971	4.2
247.07579	2.3
249.14954	2.0
255.17513	4.6
262.09824	2.4
263.10730	3.0
263.19971	2.4
267.06839	22.2
273.18515	24.5
276.08020	2.3
277.08542	2.0
285.07819	6.2
290.09372	2.4
291.10117	4.1
291.19556	52.9
299.05362	3.4
309.20651	3.0
315.08713	2.0
322.08466	2.6
323.13358	2.2
347.12997	3.2
351.08578	2.4
351.12424	3.3
351.20761	2.4
354.17490	2.1
365.13879	6.2
365.19174	2.4
365.23340	12.7
368.12366	2.7
383.11017	4.9
383.15210	20.3
383.24146	26.7
383.28354	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50014	1.3
51.05383	1.2
52.39169	1.4
53.03945	3.8
55.01873	19.2
55.05260	2.5
55.05514	42.8
56.05352	1.5
56.96572	3.4
57.03437	19.5
59.04993	2.8
61.02934	1.7
65.03934	2.6
67.05508	62.3
67.95486	1.3
69.03420	7.9
69.07072	32.7
71.04987	6.3
71.40528	1.4
79.05496	55.9
81.03425	18.4
81.07062	100.0
82.07398	2.1
83.04977	23.6
83.08630	24.0
84.44545	1.4
85.02901	7.0
85.06543	5.1
87.04462	1.7
91.05487	31.3
93.07050	40.1
94.04186	1.9
95.04972	23.8
95.08605	28.2
95.69390	1.5
97.02908	2.2
97.06538	19.0
97.10173	36.0
98.97588	2.2
99.04459	5.6
99.08090	4.8
105.07033	22.3
107.04952	9.0
107.08598	32.2
109.02931	1.7
109.06528	10.8
109.10159	25.3
111.04456	24.1
111.08074	13.0
113.06046	1.9
115.05458	2.6
117.07037	13.5
119.08584	20.3
121.06477	6.8
121.10139	18.0
123.04441	2.1
123.08073	38.3
123.11738	2.4
125.06006	3.2
125.09635	37.6
127.07578	1.7
129.07013	5.5
131.04953	1.4
131.08553	15.8
133.06505	3.8
133.10152	9.7
135.08047	10.7
135.11723	11.4
137.05969	4.4
137.09621	10.1
139.11211	2.1
142.07803	1.6
143.08569	6.1
143.10648	1.7
145.06476	1.5
145.10129	13.2
147.04427	1.9
147.08041	9.3
147.11690	8.3
149.09616	8.7
149.13306	3.1
151.11172	1.9
153.09149	6.8
153.12747	11.4
157.06502	1.7
157.10103	7.2
158.07324	1.4
159.11708	5.7
161.05969	1.9
161.09644	5.9
161.13275	1.9
163.11182	24.6
165.07076	1.7
165.09091	9.3
165.12730	2.1
167.07074	3.7
169.10159	1.4
170.07246	2.6
171.10226	3.3
171.11696	4.1
173.09608	3.8
173.11839	2.9
173.13232	1.8
175.11198	4.5
177.12831	3.2
179.08647	1.7
179.10762	2.9
181.04984	1.6
181.12256	11.7
185.09583	2.1
185.13319	2.0
186.06741	2.2
187.11147	1.5
189.11226	39.3
189.12865	2.8
191.10667	10.5
193.12239	8.7
199.11111	2.0
202.07774	3.2
203.08522	2.7
205.12238	1.6
207.06468	1.6
209.11647	2.8
211.13304	1.9
217.16054	1.8
218.07362	1.7
219.08081	5.3
220.08904	1.5
221.07985	2.6
223.13359	7.6
227.12727	13.5
227.17871	1.8
229.08554	2.1
231.08061	5.7
231.10187	2.1
232.08778	1.6
234.06729	1.8
245.13748	1.7
245.19086	3.9
247.07607	5.3
248.08379	5.3
249.09277	3.7
249.14880	2.2
255.17488	5.2
259.07608	2.9
260.08423	2.4
261.09186	2.4
262.09753	1.7
263.07117	1.9
263.10693	3.8
263.20172	4.4
264.07932	3.3
265.08591	3.5
273.18491	28.4
275.06918	3.3
276.07834	4.0
277.05301	2.4
277.08786	4.0
279.10260	2.3
285.09906	1.7
291.10245	11.5
291.19553	77.8
292.07422	2.9
292.19971	2.9
293.08185	4.8
307.06287	2.2
307.09738	5.1
308.10361	4.4
309.20593	4.1
319.09735	4.8
321.07602	3.7
323.12823	8.9
335.09094	1.5
336.10034	3.6
337.10730	4.9
338.07849	2.3
347.22241	2.1
351.08789	2.3
351.12399	9.4
353.10294	4.7
365.14465	1.7
365.23279	17.0
368.12704	6.7
383.11005	5.1
383.15027	45.4
383.23987	17.6
383.27573	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	383.243
Annotation	Sarcostin
Peak:m/z	Relative Intensity
51.44499	3.7
53.03947	10.8
55.01872	12.2
55.05511	28.3
56.96564	9.6
57.03439	42.0
65.03941	5.1
65.83836	3.2
67.05161	5.4
67.05508	100.0
69.03424	6.9
69.07066	22.0
69.24076	12.8
69.24502	26.5
71.04988	6.9
79.05495	40.8
80.25910	3.6
81.03417	6.7
81.07062	60.5
83.04979	9.2
83.08611	11.3
85.06554	34.9
85.54504	4.1
91.05489	43.4
91.48416	3.2
93.07057	40.3
95.04974	65.8
95.08602	33.9
97.06528	15.3
98.97604	5.5
99.08115	6.1
105.07040	32.5
107.04965	14.3
107.08604	33.6
109.06523	70.0
109.10165	35.3
111.04475	5.0
111.08090	7.8
113.06014	86.8
117.07029	19.1
119.08588	26.0
121.06506	10.3
121.10146	19.5
123.08064	11.6
123.11701	6.7
129.06989	7.2
131.08575	22.6
132.08087	4.4
133.10153	21.2
135.08089	59.6
135.11731	11.3
137.09599	6.8
143.08563	14.9
145.10110	15.4
146.06134	4.2
147.08032	7.4
147.11662	8.2
149.09636	10.9
149.13266	5.6
151.11200	7.1
157.10118	14.5
159.08064	7.3
159.09274	4.7
159.11694	9.4
161.09621	13.5
163.11137	7.0
165.09056	4.1
167.06940	4.3
169.10156	7.4
171.11652	9.4
172.95003	4.7
173.11780	7.2
173.13106	4.2
175.11287	6.7
177.12778	6.9
183.11716	7.5
187.11118	4.0
188.07097	5.6
189.11221	4.0
199.14859	6.8
217.15886	24.9
219.08015	4.4
231.08054	7.1
233.05981	4.1
247.07700	4.3
255.17542	6.0
263.10574	4.4
265.08527	6.3
273.18524	44.6
276.07858	4.2
277.08545	6.4
289.37772	3.8
291.10123	6.6
291.19583	68.6
293.07996	5.0
299.05643	3.6
307.09656	5.8
308.10495	6.8
319.09436	7.6
347.22269	7.9
349.36661	4.6
351.12360	8.3
353.10156	4.7
365.23596	20.5
365.27365	3.9
368.12579	9.1
383.15036	36.8
383.22293	4.2
383.29428	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25993	3.3
53.03946	10.2
55.01870	18.3
55.05514	31.7
57.03429	12.5
59.89709	3.2
61.34016	3.4
65.03955	6.1
67.05510	87.3
68.56191	3.8
69.03415	9.1
69.07071	34.1
69.07407	4.9
69.52641	27.7
71.04987	10.0
79.05499	61.1
81.03416	5.6
81.07059	100.0
83.01359	4.2
83.04996	12.3
83.08632	12.6
85.06555	8.5
91.05489	79.0
93.07050	61.4
95.04957	23.8
95.08611	51.2
97.06546	8.7
97.10169	5.0
101.06000	4.1
105.07040	69.1
107.04951	19.3
107.08601	59.2
109.06524	11.5
109.10165	61.5
111.04447	7.7
111.08089	7.1
117.07037	18.5
119.08607	39.4
121.06530	22.1
121.10137	25.3
123.04430	4.7
123.08079	11.1
123.11720	10.8
125.09676	5.0
128.06209	4.8
129.07011	14.4
131.08578	30.5
133.06505	18.8
133.10135	70.5
135.08064	21.7
135.11705	15.7
137.09621	7.1
139.07626	5.4
139.11285	4.1
142.07787	5.2
143.08562	11.0
145.10139	23.0
147.08086	16.4
147.11676	10.4
149.09637	21.6
149.13307	5.4
150.09975	4.0
151.11186	31.5
153.09232	4.5
157.10149	13.0
159.11711	16.8
161.09625	23.0
161.13309	6.8
162.58315	3.6
163.11203	5.0
169.12276	5.1
171.11713	17.0
173.09811	4.8
173.11781	4.6
173.13284	8.6
175.11205	13.0
175.14853	6.0
177.09143	9.3
177.12827	5.1
183.11751	5.4
185.13272	9.8
187.14885	6.2
189.12755	6.5
189.16399	5.7
193.12154	4.2
197.13371	4.7
201.16417	4.9
207.13831	4.7
213.16460	9.4
221.02914	3.6
227.17934	15.9
245.19127	20.9
253.14381	28.7
255.17311	5.9
263.20035	16.5
269.13770	4.1
271.15460	11.6
273.18497	48.1
285.17099	3.7
291.19537	92.6
299.05411	5.2
309.20697	5.8
347.22235	5.4
365.23358	50.5
365.28055	7.2
383.24908	12.2
383.29419	15.5
404.38016	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	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01867	11.3
55.05518	38.6
56.96568	5.5
57.03424	9.7
57.07070	3.8
59.05002	3.1
65.03951	3.8
67.05509	59.3
68.88446	2.3
69.03419	7.6
69.07068	21.1
71.04999	3.0
71.60902	2.8
79.05502	48.2
81.03410	9.6
81.07061	60.5
83.04984	11.0
83.08620	21.0
85.02893	5.0
85.06538	4.5
86.83463	2.6
91.05483	47.3
93.07055	39.9
93.49658	2.1
95.04988	14.7
95.08618	29.1
97.02895	4.9
97.06523	6.0
97.10176	19.1
105.07037	32.7
107.04948	10.9
107.08604	27.8
109.06503	7.6
109.10171	40.9
111.04430	6.0
111.08068	4.9
115.05509	2.7
117.07027	10.5
119.04951	2.5
119.08578	26.0
121.06509	7.7
121.10159	18.1
123.08064	12.2
123.11764	3.7
125.09625	11.8
129.07004	8.4
131.08597	16.8
133.06523	7.1
133.10150	23.9
135.08058	8.6
135.11726	7.9
137.05991	2.7
137.09637	5.0
139.07550	2.6
139.11180	3.3
143.08527	5.9
143.25426	2.3
145.06548	2.6
145.10103	11.8
147.08080	9.7
147.11664	7.0
149.09634	8.2
149.13196	4.3
149.29527	2.8
151.11194	6.7
157.10143	6.5
159.08067	4.9
159.11684	4.9
161.09621	8.7
161.13318	4.3
161.88583	2.2
163.11258	4.6
163.48143	2.7
165.09120	4.2
169.10165	2.8
171.11647	6.0
173.11769	5.5
175.11235	6.7
175.14844	3.9
177.09126	5.6
177.12804	3.0
181.12050	2.6
189.11256	9.8
189.12872	3.6
190.77248	2.8
193.12273	6.0
195.11641	2.8
199.11218	2.7
223.13316	10.9
227.12807	6.8
245.13815	4.6
245.19019	7.0
249.08626	2.8
249.14894	3.4
253.14293	2.9
255.17371	3.0
263.20026	7.9
269.13962	3.1
273.18561	28.6
291.19550	100.0
309.20389	3.5
337.10587	2.7
347.22183	3.4
365.23270	60.8
382.25726	2.7
383.14963	4.5
383.24704	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.5
55.01868	11.8
55.05514	28.7
56.96553	4.8
57.03436	10.0
57.07063	5.1
67.05513	100.0
69.03418	9.0
69.07065	22.2
69.49098	4.2
69.70793	27.3
71.04997	11.0
71.08620	4.3
73.32998	3.8
79.05505	46.6
81.03427	9.5
81.07064	71.6
83.04991	11.9
83.08619	8.8
85.02913	4.5
85.06570	10.1
91.05030	5.1
91.05492	54.5
93.07053	58.1
94.41569	4.4
95.04961	17.4
95.08614	42.8
97.06528	8.4
97.10215	5.3
105.07047	57.9
107.04972	15.8
107.08610	43.2
108.08014	3.7
109.06507	15.7
109.10162	62.4
111.08123	9.7
114.29308	3.8
115.21735	3.6
117.07018	9.7
119.08619	32.2
121.06510	12.4
121.10169	25.8
123.08057	14.7
123.11710	10.2
129.07033	9.6
131.08565	25.4
133.06503	13.1
133.10144	59.0
134.10541	4.6
135.08067	15.2
135.11719	10.0
137.05969	10.9
137.09624	12.8
139.07520	5.5
143.08560	17.4
144.20547	4.1
145.10196	19.4
147.04442	5.2
147.08049	13.6
147.11690	12.1
149.09612	24.4
149.13301	4.6
151.07573	6.6
151.11220	18.8
155.08571	4.4
157.10133	15.8
159.08014	8.5
159.11714	12.5
161.09641	14.1
163.11201	8.8
165.09149	8.0
167.15648	3.9
171.11787	7.3
173.11845	8.9
173.13248	5.0
175.11253	7.3
177.09137	13.5
185.13283	7.6
187.11188	4.5
201.12773	5.6
203.14291	7.4
207.13766	4.2
213.16331	4.8
221.15334	11.7
233.15515	4.0
234.16164	6.4
245.19141	9.6
248.08472	4.3
253.14417	16.9
263.20044	5.8
269.13739	5.0
271.15491	5.8
273.18558	35.1
291.10355	6.2
291.19577	40.5
347.22336	6.1
365.23315	32.9
383.14825	11.2
383.24997	24.0
388.43011	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
53.40529	3.4
55.05518	22.5
57.03437	4.3
57.07071	16.5
58.25963	3.1
59.04995	7.3
63.75840	3.0
63.83282	3.7
65.03953	6.4
67.05511	64.6
67.26382	3.1
69.03439	15.2
69.07082	21.1
71.04986	7.0
71.59980	5.8
76.80402	3.4
79.05500	46.5
81.03424	8.6
81.06629	5.3
81.07062	55.0
83.04984	10.0
83.08624	6.2
85.02899	6.6
85.06538	13.1
89.05994	3.5
91.05499	56.0
93.07054	100.0
95.04985	29.8
95.08611	58.5
97.02892	5.9
97.06528	15.2
97.24955	3.3
99.08116	4.9
103.05421	4.5
105.07041	85.2
106.07339	3.7
107.08600	52.5
109.06527	26.9
109.10167	41.9
111.04458	14.8
111.08099	15.6
117.07053	13.1
119.08607	53.2
121.06528	25.5
121.10165	59.9
123.08105	33.1
123.11713	8.8
125.06020	11.8
128.06230	6.5
129.07007	10.9
130.07780	4.9
131.08585	33.1
133.06520	10.3
133.10143	38.7
135.08083	25.7
135.11711	11.5
136.49413	3.8
137.05963	25.6
137.09624	12.4
141.07072	4.8
142.07779	19.4
143.08583	21.8
145.10126	39.2
147.08031	25.3
147.11653	20.0
149.09619	32.1
151.07542	32.2
153.12808	7.7
155.08560	6.1
156.09355	6.9
157.10133	35.7
159.08084	7.2
159.11707	16.6
161.09610	18.5
161.13303	13.4
163.11182	12.6
165.09143	40.2
169.10158	5.1
170.10970	5.0
171.11635	6.4
173.09552	7.8
173.11914	5.0
173.13333	11.9
175.11194	19.2
175.14885	12.9
177.09169	10.6
179.08781	3.8
179.14333	10.8
181.12274	9.7
183.11696	10.3
185.13290	15.8
187.11285	6.2
187.14914	5.6
189.12775	11.3
191.14297	4.5
195.11800	4.4
197.13176	5.9
199.14754	4.9
199.55801	3.4
201.12759	13.1
203.14326	31.6
203.17873	4.1
207.13837	10.1
209.13287	6.3
213.12724	4.6
215.14380	5.3
219.13809	4.6
221.15378	75.9
225.09851	3.4
225.16582	4.4
227.14429	4.6
227.17879	3.5
231.13983	4.2
233.15428	9.2
234.16214	17.9
241.16019	3.9
243.10779	8.5
243.13788	4.8
251.11362	4.2
269.12311	10.3
277.18112	9.3
287.19849	6.5
301.20190	8.1
303.19498	9.3
335.26019	4.5
349.27539	8.5
350.28253	5.9
365.24579	7.6
383.25708	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01878	4.2
55.05512	16.9
57.07062	17.3
59.04983	4.4
60.78214	3.6
65.89790	3.7
67.05205	4.4
67.05503	46.2
69.03426	18.1
69.07066	13.9
70.92042	2.8
71.04983	7.5
71.30909	5.2
79.05501	37.8
80.38264	3.5
81.03414	4.5
81.06613	5.8
81.07051	42.0
83.04974	8.4
83.08617	7.4
85.06529	6.1
91.05484	54.6
93.07047	100.0
95.04967	24.5
95.08041	4.3
95.08611	56.0
97.06541	15.8
105.07032	90.6
105.07749	5.6
107.04995	3.3
107.08601	49.9
109.06524	24.7
109.10165	27.5
111.08080	15.0
117.07002	12.9
119.08590	67.6
120.09387	3.7
121.06487	12.9
121.10145	66.6
123.08082	37.5
123.11694	6.2
128.06203	12.4
129.06993	17.5
130.07762	3.9
131.08565	34.9
133.06470	11.9
133.10141	30.8
135.08041	31.5
135.11710	7.1
136.05269	3.6
137.09631	11.5
141.07001	3.8
142.07759	23.7
143.08592	23.0
144.09265	3.5
145.10130	36.6
146.07295	3.8
147.08038	27.3
147.11676	15.7
149.09634	34.1
149.13332	3.1
150.10181	3.0
151.07552	37.2
153.09074	3.6
155.08595	8.0
156.09343	9.0
157.10129	44.5
159.08070	12.3
159.11710	23.1
160.08760	3.9
161.09656	20.5
161.13246	14.5
163.11171	8.0
165.09105	51.8
165.25587	4.0
169.10153	6.1
170.10884	5.0
171.11671	11.1
173.09637	14.6
173.11839	6.0
173.13203	6.8
175.11211	21.7
175.14822	10.8
177.09146	12.3
178.09937	5.6
179.08588	3.3
183.11673	6.4
185.09593	4.1
185.13268	18.8
187.11226	4.5
189.12732	12.2
191.14272	5.1
195.11769	6.5
197.13168	7.0
199.14813	4.1
201.12723	12.4
203.14287	37.1
207.13742	13.4
209.15320	5.0
211.14781	5.7
215.14284	11.4
216.15117	5.0
217.12080	4.8
219.13779	7.9
221.13329	4.2
221.15347	90.4
225.12819	4.8
227.14391	5.4
229.12303	3.9
231.13780	6.1
233.15405	9.5
234.16124	17.8
237.14705	4.6
243.13968	3.9
251.11441	4.4
269.12390	5.2
274.19455	5.1
286.19305	8.7
287.20020	8.9
299.20059	8.3
301.20090	5.3
303.19647	9.6
325.21460	4.3
365.24689	15.1
383.25735	89.5
383.30319	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	6.0
55.01871	3.6
55.05515	18.9
57.07074	6.6
59.04981	4.6
65.03941	3.8
67.05505	24.5
69.03420	10.2
69.07066	9.5
69.83011	12.5
69.83431	7.1
70.11629	3.1
71.05022	5.3
79.05495	34.7
81.07054	41.4
83.04974	8.5
83.08620	9.5
84.48961	3.5
85.06551	4.7
85.98276	3.2
91.05486	43.5
93.07050	100.0
95.04966	24.4
95.08612	41.2
96.26558	3.3
97.06536	11.6
98.21577	4.2
105.07040	79.8
107.08600	47.0
109.06541	23.3
109.10149	25.1
111.08075	10.5
117.07027	11.9
119.08611	51.2
120.09402	3.6
121.06499	15.3
121.10141	41.9
123.08096	27.1
128.06238	9.0
129.07007	10.9
130.07768	6.5
131.08585	29.0
131.33861	3.7
133.06497	9.2
133.10117	29.3
135.08061	23.2
135.11653	5.5
137.09621	13.4
142.07782	16.6
143.08562	28.8
144.09322	5.6
145.10121	44.1
146.07301	4.2
147.08038	25.4
147.11684	18.1
149.09618	31.9
149.13254	4.4
151.07545	36.7
155.08531	9.7
155.10623	4.5
156.09358	9.2
157.10149	33.9
159.08051	7.8
159.11688	14.4
160.08871	4.5
161.09624	23.3
161.13205	4.5
163.11203	8.4
165.09132	40.1
169.10164	5.2
170.10945	5.1
171.11687	9.5
173.09682	13.1
173.13281	7.1
175.11240	19.1
175.14803	8.4
177.09134	12.8
178.09953	3.8
181.10048	4.4
181.12329	6.8
183.11665	6.6
185.09669	4.6
185.13216	13.1
187.11229	9.4
189.12688	14.1
194.10689	3.6
195.11659	9.1
195.63182	3.9
197.13272	10.9
199.11195	6.1
199.14879	4.3
200.56554	3.8
201.12752	9.3
203.14320	28.4
207.11935	4.9
207.13924	12.2
209.13309	9.6
209.15417	8.7
211.14815	6.8
215.14322	12.5
219.13737	4.2
221.13367	4.2
221.15376	77.6
225.12805	4.0
227.14314	6.8
229.15915	3.4
231.13808	3.9
233.15479	8.3
234.16113	17.9
286.19312	6.3
287.20071	10.4
294.72021	3.8
299.20026	6.4
303.19525	5.9
365.24826	13.9
383.25797	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03943	8.9
55.01884	3.6
55.05516	23.3
56.96567	5.0
57.07058	10.7
57.07300	2.6
59.04997	5.6
65.03941	4.0
66.47278	2.7
67.05222	3.5
67.05513	39.6
69.03427	15.2
69.07055	5.2
70.84029	7.8
70.98121	7.9
71.04987	4.7
73.63609	3.0
79.05505	31.8
81.07067	39.1
83.04976	7.5
83.08061	2.7
83.08596	6.4
85.06533	7.3
91.04956	4.9
91.05489	57.1
93.07053	100.0
95.04987	36.5
95.08620	42.4
97.06538	19.5
105.07033	98.2
107.08602	48.4
109.06526	28.8
109.10152	22.0
111.08084	10.1
115.05446	4.2
116.06242	3.5
117.07006	11.9
119.08601	63.0
120.09343	3.0
121.06541	17.4
121.10150	48.3
123.08076	35.2
128.06218	8.6
129.06970	14.7
130.07806	4.5
131.08572	31.1
133.06488	7.7
133.10156	39.6
135.08075	27.8
135.11691	7.9
137.09615	8.4
141.06996	5.2
142.07779	19.3
143.08592	29.0
144.09264	3.8
145.06488	3.8
145.10144	43.7
147.08063	28.4
147.11696	16.8
149.09605	24.8
150.10410	3.0
150.14037	2.6
151.07530	46.1
153.09155	6.3
155.08548	6.2
156.09334	12.6
157.10146	51.9
159.08089	10.5
159.11758	20.1
160.08853	4.6
161.09622	25.1
161.13232	7.2
161.72577	3.4
163.11206	9.8
165.09109	39.9
167.08514	4.2
169.10121	8.3
170.10884	11.6
171.11664	10.9
173.09650	11.7
173.13272	11.9
175.11182	29.6
175.14816	7.3
177.09099	12.2
178.09915	4.2
182.10892	3.4
183.11659	8.7
185.09605	4.1
185.13251	22.8
187.11125	6.0
187.14825	4.6
189.12741	13.2
191.14342	3.2
195.11609	3.1
197.13298	6.0
199.11249	7.4
201.12717	12.5
203.14308	32.9
207.11887	4.7
207.13797	13.2
209.13326	3.4
209.15276	7.3
211.14882	4.0
213.12756	4.1
215.14346	8.5
219.13934	4.1
221.13454	2.7
221.15369	73.1
225.12798	4.9
229.12251	4.3
233.15350	7.1
234.16228	15.9
269.12421	4.4
286.19202	5.0
287.20126	11.7
299.19958	6.9
303.19467	8.8
327.19702	3.9
347.23807	3.5
360.10818	5.9
365.24777	11.9
383.25784	78.6
383.30472	4.3
384.26126	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01884	4.4
55.05512	16.3
57.07087	8.5
59.04993	7.0
60.12209	3.9
61.59976	3.4
65.03929	4.0
67.05509	51.7
69.03423	15.0
69.07067	15.7
70.04785	3.4
71.05005	6.9
79.05496	33.5
81.07062	46.5
83.04976	12.6
83.08643	9.2
91.05473	39.6
93.07056	100.0
95.04960	22.3
95.08602	49.1
97.06538	15.4
98.20719	11.8
105.04474	4.3
105.07035	79.1
107.08604	56.0
109.06528	24.2
109.10181	39.8
111.04445	4.5
111.08083	11.8
115.05433	5.9
117.07034	12.8
119.08595	57.4
120.09413	5.5
121.06525	10.6
121.10156	45.8
123.08074	32.0
123.11726	6.3
125.05994	4.5
128.06233	8.3
129.07008	8.7
130.07787	5.5
131.08586	23.5
133.06465	9.4
133.10139	36.6
135.08058	27.4
135.11696	8.2
137.05965	4.6
137.09624	12.9
141.06984	4.8
142.07784	20.2
143.08572	23.3
145.06487	5.4
145.10124	32.4
147.08038	20.6
147.11694	23.4
149.09644	18.8
149.13324	5.1
151.07539	48.6
153.09109	4.6
153.12831	4.3
155.08521	6.0
156.09319	9.3
157.10132	34.3
159.08070	7.0
159.11667	18.8
161.09634	20.9
161.13281	16.5
163.11189	10.9
165.09074	25.4
169.10197	6.1
170.10890	5.5
171.08112	4.1
171.11754	5.9
173.09633	7.2
173.11879	4.7
173.13286	10.0
175.11174	23.6
175.14836	9.6
177.09096	12.6
178.09811	3.9
179.08405	3.9
181.12206	7.5
183.11716	7.5
185.13235	20.1
187.11241	7.2
187.14749	8.1
189.12746	14.6
189.16394	3.6
191.10617	4.8
195.11667	5.8
197.13237	8.1
199.14857	6.9
201.12726	7.1
203.14287	26.6
203.39270	3.4
207.13797	15.8
209.13332	4.8
209.15405	3.9
215.14374	5.9
219.13881	4.5
221.15372	68.0
227.14355	4.3
233.15390	8.0
237.55096	3.8
285.18497	3.8
286.19284	7.6
287.20389	7.9
299.05515	5.4
303.19580	9.7
327.63159	4.2
365.24835	14.1
383.25745	86.7
383.29782	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	383.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05512	7.8
57.07078	14.5
62.09995	2.5
67.05509	23.5
69.07069	13.7
71.08622	4.0
71.61102	3.3
71.61449	2.9
76.35107	2.3
79.05483	7.0
81.03385	2.9
81.07059	89.7
83.08628	5.4
84.97326	2.7
91.05473	4.5
93.07037	13.5
95.08612	100.0
97.06550	3.3
105.07042	10.3
107.08598	15.3
109.02946	2.2
109.10155	30.1
119.08580	10.5
121.10175	12.6
123.11701	25.3
131.08562	7.0
133.10138	7.6
135.11749	12.3
137.13258	99.9
145.10152	8.6
147.11703	4.5
149.13271	9.5
151.14789	6.9
157.10097	4.1
159.11719	9.0
161.13298	5.9
163.14833	4.1
173.13217	2.9
175.14874	5.2
179.17943	6.1
187.14851	5.6
203.14369	3.3
203.17969	3.8
205.15848	4.4
215.17996	7.6
227.18118	3.0
231.17543	4.9
233.19038	7.2
245.19191	3.9
365.32141	6.2
383.20248	4.0
383.29236	5.1
383.33099	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.6
55.01863	7.0
55.05520	1.8
56.96558	3.0
57.03424	8.1
58.02952	7.4
61.02908	6.9
67.05488	2.4
68.99778	4.4
69.03071	2.7
69.03431	40.3
70.06591	3.1
70.77792	5.3
71.04979	4.6
73.02935	3.8
76.57774	1.9
79.05489	4.7
81.03422	24.6
81.07061	5.8
83.04972	2.1
85.02907	100.0
86.09692	2.0
87.00835	37.9
87.04446	1.8
91.03947	3.2
91.05462	13.9
93.07059	2.8
97.02898	26.2
97.71983	1.5
98.97579	2.7
99.04465	12.9
99.08099	3.2
105.01867	31.1
105.06992	5.2
107.04934	5.2
107.08586	2.3
109.01664	1.8
109.02885	26.7
109.06479	2.7
113.09315	1.6
117.01842	3.7
118.06533	7.8
119.04958	3.4
119.07323	15.1
120.08119	24.7
120.08929	3.3
121.10111	2.6
127.03921	57.3
129.01872	2.1
135.11703	2.7
136.07579	86.7
137.05986	2.2
143.08482	2.1
145.04942	18.4
147.02931	2.7
147.04399	2.4
151.03949	3.8
157.10216	2.0
158.99612	2.3
159.02898	16.5
161.05879	1.8
163.04024	2.1
167.07060	15.9
177.05420	2.3
181.04840	2.5
181.08574	2.0
189.03955	3.0
191.11812	5.6
201.05444	3.7
203.75037	1.8
220.08334	2.1
222.08334	3.6
231.05013	12.3
231.10211	2.6
232.08501	1.8
235.07399	2.1
248.07874	3.1
251.06613	2.1
262.05762	2.2
263.10559	2.2
277.08304	2.3
293.11636	2.3
294.08588	3.1
295.09616	2.5
300.05832	6.3
301.06732	1.7
308.09842	2.0
324.13098	3.6
338.11047	4.3
352.12564	5.1
353.13843	2.1
354.10330	3.4
369.12753	2.8
384.07684	4.1
384.15448	28.2
384.20258	3.5
385.16547	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	384.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05511	50.9
56.05032	1.4
56.96569	1.0
57.03427	1.7
58.99580	2.6
61.02913	2.6
64.36427	0.6
67.05521	0.7
69.03436	5.8
70.06589	3.9
71.01322	0.6
71.04991	1.1
71.16307	1.2
72.08157	1.9
73.02907	1.8
76.02229	1.3
76.75177	0.6
79.05497	1.2
81.03415	4.0
81.07057	1.5
83.04951	0.9
83.06111	2.7
83.08621	100.0
84.04496	0.9
84.08147	2.3
84.08937	1.2
85.02905	18.8
86.03214	0.6
86.09708	1.5
86.99068	4.7
87.04488	0.9
89.03877	0.7
91.03968	0.9
91.05494	2.4
93.04533	1.3
95.04973	0.7
95.06088	2.7
95.08651	0.7
97.02897	5.7
98.97585	1.7
99.04428	1.0
101.09660	17.7
105.00083	7.0
105.77272	0.6
107.04974	1.4
109.02906	1.9
110.06049	0.9
110.07164	19.6
116.98643	0.6
117.03381	1.0
118.06566	3.2
119.04972	1.0
119.19961	0.6
120.08131	0.7
122.02693	1.6
127.03925	2.7
129.10310	0.7
131.09981	0.7
135.04424	1.3
136.07607	1.7
137.05997	0.8
145.02872	1.7
145.04979	2.2
147.04424	1.1
147.88866	0.6
149.07076	0.6
156.07678	4.6
158.99684	0.9
159.08441	1.4
161.06076	0.8
163.03914	2.5
164.04333	0.8
167.07042	2.0
177.05554	2.1
187.07930	1.9
204.03000	2.0
205.08940	58.6
206.09290	0.7
207.11388	0.7
222.11595	58.8
238.05574	0.7
245.09361	1.4
250.06038	0.6
260.11447	0.8
264.12756	1.1
292.10269	0.6
300.12723	1.5
309.17334	0.6
338.20685	0.7
348.14557	0.7
367.13086	1.3
384.12604	0.8
384.16394	2.6
384.21292	14.7
385.14642	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	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37400	1.3
53.03960	6.8
55.01874	8.8
55.21624	1.3
57.03431	6.5
57.07069	2.5
57.50681	1.1
61.02920	5.2
68.99783	2.1
69.03432	36.7
69.69086	8.6
70.06602	1.6
71.04974	3.7
72.08138	1.7
73.02937	7.9
73.03270	1.9
79.05459	2.0
81.02975	1.6
81.03423	26.9
84.08112	1.8
85.02908	100.0
87.00836	46.1
87.04426	1.5
88.50155	1.2
91.03954	2.4
91.05476	2.2
93.06998	1.5
94.08834	1.2
97.02896	35.0
98.21457	2.4
98.97579	2.1
99.04471	13.4
105.01872	74.2
105.07069	1.2
107.04950	2.6
109.02887	30.3
110.07175	1.9
115.03961	2.4
116.07098	1.2
117.01869	2.3
119.10716	3.0
124.30085	1.6
127.03923	79.4
129.01865	1.5
130.87746	1.3
134.03595	1.1
134.66826	1.1
136.59572	1.3
137.06033	1.5
144.05611	1.2
145.04965	34.6
147.02921	2.5
153.05458	3.7
159.02875	15.1
167.07027	8.3
171.02953	1.7
181.04883	1.4
189.03963	2.3
201.05428	4.7
213.03911	4.2
219.08032	1.6
227.12595	1.6
231.04991	19.9
249.06087	5.4
249.08502	1.9
249.34665	1.4
266.25232	1.6
352.12503	2.2
368.15057	1.9
369.12991	2.0
384.15222	8.4
384.20892	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	384.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05501	1.9
56.05023	1.3
57.03420	1.1
65.03940	0.8
67.05486	1.5
67.26073	0.4
68.05028	0.7
69.03416	1.6
69.07038	1.3
69.93291	0.9
69.93709	1.5
70.06586	1.7
71.04984	1.0
72.08131	0.8
73.02901	0.7
79.05495	2.3
80.05018	1.5
81.03416	2.6
81.04531	1.9
81.07050	2.0
82.05338	0.6
83.04983	1.2
83.06107	11.9
83.08626	1.1
84.04491	1.0
84.08129	1.3
84.98982	0.4
85.02889	2.4
86.09682	0.8
88.03996	0.4
91.05463	2.0
93.04527	5.9
93.07025	1.4
95.04993	1.1
95.06094	13.8
95.08575	1.2
97.02871	1.1
97.06532	0.6
98.97592	1.5
105.03397	1.1
105.04487	0.7
105.07041	1.5
107.04934	0.9
107.06090	6.4
107.08593	1.1
108.05663	0.5
109.06406	1.5
109.07640	0.8
109.10147	0.5
110.07169	46.1
111.05560	1.6
112.08734	2.4
112.58099	0.5
113.07144	1.2
115.05499	0.7
116.98644	0.5
119.06062	1.1
119.08610	1.1
120.05587	1.2
121.07637	2.8
121.10147	0.7
122.07142	1.5
122.08385	0.8
123.04459	0.6
123.07948	0.6
123.09180	1.1
129.07018	0.7
131.06039	3.5
131.08565	0.7
132.06833	0.6
133.06660	0.7
133.07593	3.5
136.08737	0.4
137.05943	0.6
146.20187	0.4
147.04402	0.9
147.05501	0.6
148.08704	2.2
149.09630	0.7
150.10254	1.3
151.03960	0.6
156.07695	5.3
157.10272	0.6
159.09204	0.5
166.06105	0.5
167.07028	3.3
175.08679	0.8
178.61641	0.4
181.08559	0.5
193.12184	1.0
201.05502	0.5
207.07692	1.4
208.08008	2.2
219.01758	0.7
238.05510	0.5
247.18086	0.7
248.08324	0.8
257.16553	1.6
275.17502	3.9
284.17615	1.8
285.16003	1.9
292.10535	0.7
292.20053	0.9
293.18600	12.0
294.08487	0.5
294.18896	0.6
300.06049	0.5
302.18585	3.0
305.18793	0.8
320.19687	8.2
323.08777	0.6
323.19727	1.6
324.12851	2.2
338.20734	30.1
339.19318	0.6
339.58340	0.5
340.22330	1.5
352.12729	1.0
366.20193	4.2
367.13345	5.0
384.21286	100.0
385.15118	0.8
385.21637	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	384.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.1
55.93565	4.0
57.07073	18.8
63.07889	3.8
64.52283	5.1
67.05508	29.0
68.91423	3.9
69.07079	24.8
71.08632	14.1
71.61571	7.1
74.83347	4.0
79.05495	8.9
81.07075	34.5
83.08624	25.4
85.10197	5.5
93.07052	16.5
95.08604	42.5
97.10174	19.8
105.07093	5.9
107.08598	9.2
109.10156	25.9
119.08582	7.1
121.10154	15.0
123.11720	6.9
135.11703	7.9
137.13187	5.3
149.13275	6.5
165.13303	4.5
166.15935	6.2
177.33913	4.6
180.17476	4.8
194.08069	4.9
224.88657	5.3
261.31055	5.0
273.53357	4.9
366.33691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	3.1
56.96787	1.0
69.75411	0.4
69.75713	2.6
71.95193	0.8
98.20802	0.5
98.97588	38.2
98.98180	1.9
99.97853	1.2
101.00881	2.4
116.98623	22.1
117.98888	0.7
118.98177	0.7
119.01940	4.7
134.99673	8.3
137.02924	0.9
139.05267	0.5
140.00146	0.6
152.18622	0.4
153.00601	1.6
158.99850	1.0
177.00954	14.5
178.01122	0.9
179.00540	0.6
201.00900	1.9
216.98799	0.7
217.04076	2.9
219.02008	23.3
220.02119	1.8
225.00980	1.9
234.99815	1.0
236.99805	0.6
240.98761	1.3
242.98499	1.3
243.02005	10.8
244.02045	0.5
247.09009	0.6
258.99805	16.3
260.00024	3.0
260.99722	12.2
261.03058	100.0
262.00467	0.6
262.03241	7.2
263.03033	1.5
277.00848	15.2
278.01050	3.7
279.00665	13.7
282.99930	4.0
284.00034	1.2
284.04678	1.9
284.99808	3.1
300.02304	0.6
301.01047	5.2
302.01462	1.5
303.00894	4.1
343.02036	1.5
361.00006	0.8
361.98489	0.5
367.02362	1.7
382.98383	0.7
385.03302	17.1
386.03406	1.4
398.97729	0.7
403.00488	1.9
403.04999	12.3
404.04645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01862	3.3
56.96560	2.6
66.38319	1.1
69.03424	1.6
69.76540	6.1
70.06593	2.2
73.02908	1.5
79.05493	6.8
80.18564	1.4
81.03434	2.1
83.04940	1.3
84.08144	1.9
85.02897	4.9
88.02197	3.4
89.03902	1.6
91.05488	4.9
92.13322	1.0
95.01340	1.6
95.04959	3.9
97.02873	4.8
98.20731	2.3
98.97576	2.8
103.05473	9.7
105.07039	55.3
106.07320	1.4
106.34142	1.1
107.04971	7.4
109.02876	1.6
113.02345	1.7
115.03905	2.3
115.05470	18.5
116.80608	1.5
117.07012	2.3
118.04167	3.7
119.04943	1.5
123.04424	5.1
127.03903	1.9
127.98491	1.1
128.98605	2.0
131.04926	4.3
131.08563	1.5
132.05682	1.8
133.06500	58.4
134.02739	2.9
135.04446	1.6
136.06181	7.1
137.05937	1.6
140.04646	2.1
143.04953	2.4
143.06032	3.5
145.06493	5.0
147.04402	1.8
151.03868	2.2
155.07039	4.6
159.04475	1.8
160.05229	2.2
161.05992	100.0
162.50056	1.2
163.03903	4.1
163.07707	1.6
167.07057	25.0
173.05989	3.3
175.03842	1.9
175.06033	1.8
175.07541	3.0
177.05487	2.5
181.04951	1.9
183.06552	3.3
186.03114	1.6
187.03847	2.0
188.04729	2.0
189.05453	2.5
191.07094	2.9
192.07802	1.9
193.08630	54.7
194.08966	1.4
201.05463	4.7
203.07027	2.2
205.08578	6.0
207.06482	6.8
209.08165	1.9
215.06979	1.9
217.05028	1.4
217.08701	2.4
219.06529	4.7
220.07375	2.0
221.08040	3.1
229.00063	1.5
229.04988	2.8
231.06483	5.5
233.04504	6.1
233.08078	4.9
245.07994	1.6
249.07578	2.4
251.09132	20.9
261.07581	12.2
263.09232	2.9
275.08957	2.5
277.07104	1.9
279.08813	1.5
289.06982	2.3
293.10229	2.9
305.10245	1.7
307.08051	4.1
319.08026	1.7
358.19012	1.4
385.10962	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	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
54.32487	0.3
55.01867	0.9
55.05521	0.5
56.96570	0.6
57.03220	0.4
57.03442	4.3
61.02928	0.7
65.03930	0.4
67.05481	0.5
69.03428	2.4
70.06613	2.0
70.58867	1.1
71.01356	5.5
72.08154	0.7
73.02544	0.6
73.02919	7.2
75.04492	0.6
77.03938	0.4
79.05489	1.5
81.03407	1.0
81.07053	0.6
83.01334	0.7
83.04986	0.8
84.04506	0.6
84.08144	1.0
85.02908	13.4
86.09689	0.7
86.32463	0.4
87.00823	0.6
91.05450	0.8
91.91661	0.4
95.01328	2.8
95.04977	0.9
97.02903	5.3
98.97585	1.3
99.00818	1.8
99.04463	0.9
101.02383	1.8
103.03950	1.9
105.06981	0.6
107.04959	100.0
108.05269	1.3
109.02877	0.6
110.07168	1.3
110.97570	0.5
111.04463	0.6
113.02364	6.0
115.03954	0.6
116.98562	0.4
117.01929	0.4
117.03381	0.6
117.07008	0.4
121.06496	0.7
123.00861	0.5
123.04445	0.4
123.11825	0.4
124.03955	0.6
124.07584	0.4
124.08912	0.4
126.56992	0.4
127.03941	0.9
131.03384	2.5
131.04948	0.5
133.06479	0.5
135.04457	0.7
136.06209	1.4
137.05914	0.5
141.01837	6.5
145.02837	0.4
145.04996	1.1
147.04431	0.7
149.05901	0.9
149.09686	0.4
151.03934	0.7
153.05446	2.4
159.02933	1.6
159.06586	1.0
161.06003	0.9
162.05200	0.4
163.03891	2.0
164.04274	0.4
167.07042	1.6
169.05014	0.8
177.05498	0.4
181.04984	0.6
187.06055	1.0
193.08624	0.9
197.04518	0.7
201.05492	0.8
205.12335	1.1
208.14478	0.6
209.08102	13.4
215.05533	1.0
217.08633	0.9
219.01692	0.5
221.07990	0.4
222.07687	0.9
223.05943	0.7
223.07953	1.8
223.13370	1.9
231.06607	1.0
232.41113	0.4
233.06410	0.9
251.09244	2.4
258.77112	0.4
261.07510	0.6
283.05493	0.4
313.04404	0.4
349.09073	0.6
385.14728	6.9
385.19116	0.8
393.63126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05509	0.9
65.03947	0.8
67.05503	1.4
69.03412	1.7
69.07040	0.9
70.06597	3.6
70.78472	1.5
72.08158	3.0
74.06065	0.6
79.05484	2.3
79.44485	0.6
81.03400	0.9
81.07040	1.7
83.04988	0.8
84.08155	1.2
85.02902	2.5
86.09688	4.1
89.03918	7.7
91.05492	3.3
93.07017	1.6
95.04997	0.8
95.08610	1.1
97.02847	1.1
97.06543	0.7
99.04435	0.8
103.05441	0.8
105.07004	1.9
105.97742	0.6
106.04195	1.2
107.04943	4.4
107.08627	0.7
108.44675	0.6
109.02895	0.9
110.07156	1.1
116.07076	1.3
116.98621	0.6
117.03380	24.1
117.06995	0.6
119.04910	1.2
120.75442	0.6
121.02853	0.7
123.04379	1.1
123.08121	0.7
123.75797	0.5
124.05226	1.1
124.11975	0.7
127.03883	0.9
128.06232	0.7
129.10287	0.6
133.10095	1.1
134.03627	1.9
134.06053	0.8
135.04398	2.4
135.08051	1.0
137.05959	2.3
142.63382	0.6
144.04440	1.1
145.02849	61.3
146.05988	1.3
147.04396	0.8
148.03966	0.7
149.05983	9.3
156.05794	0.8
159.11671	0.6
161.05869	1.1
162.05508	36.9
163.03877	1.6
163.11134	1.1
165.01852	1.1
167.05617	0.8
167.07045	16.9
170.07257	1.6
174.05469	4.8
177.05472	100.0
178.05850	1.1
179.07030	1.1
181.04947	1.9
181.08656	1.4
186.05577	0.8
191.08186	8.8
193.08572	1.0
199.07648	0.8
201.05446	3.7
205.04968	1.6
205.08475	0.6
205.12262	1.2
206.08020	0.7
207.06511	1.2
209.09203	8.3
217.08604	0.9
219.08113	0.7
221.05927	0.8
223.05940	1.1
223.13280	1.6
231.10179	2.4
233.09702	0.7
250.09801	0.8
267.06299	0.7
282.08914	1.4
293.11478	0.8
299.05484	2.0
300.05783	1.7
301.06091	5.3
310.08432	0.8
339.08450	1.2
343.11838	2.5
350.13861	0.7
353.13943	1.2
357.12912	0.7
367.08185	1.3
367.12787	1.9
368.14880	0.8
385.08582	1.6
385.13065	1.2
385.18494	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	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01628	0.7
53.03936	2.8
54.22887	0.6
54.64652	0.6
55.01860	0.9
56.96562	1.1
60.03145	0.7
65.03966	0.8
65.31861	0.7
69.03422	1.7
69.80099	3.5
70.06597	1.3
72.08143	2.3
78.04706	3.1
79.05502	11.1
81.03429	1.0
81.07063	2.4
85.02903	3.1
86.09707	2.5
91.05486	7.6
93.07047	4.9
95.04963	2.6
97.02908	1.0
98.97569	1.4
103.05482	2.7
105.03368	0.9
105.04527	0.8
105.07043	8.0
106.04176	2.2
107.04967	18.1
109.02915	1.0
109.06508	0.7
110.07165	1.1
115.05486	3.3
116.07078	1.4
117.03449	1.3
117.07008	2.4
119.04916	1.1
119.08573	0.8
121.06509	11.9
122.03663	0.9
123.04430	7.9
123.08091	1.4
124.05229	5.5
125.06006	1.1
128.06219	3.9
131.04936	0.8
131.08592	0.8
132.05692	0.9
133.06502	6.3
135.04425	1.1
136.05202	1.3
137.05972	3.6
138.06731	1.6
141.07013	1.5
142.07799	1.1
142.24205	0.7
143.08589	2.6
144.05676	1.1
145.02872	1.1
145.06490	4.2
147.04410	2.0
149.05988	6.6
151.03906	2.1
151.07550	1.5
152.04706	3.3
152.06209	1.0
153.07013	1.5
155.06024	1.3
156.05692	7.9
157.06491	0.7
160.07687	0.7
161.05965	6.2
162.05487	0.8
165.01820	2.5
166.02185	1.9
166.06279	2.9
167.07051	100.0
168.07376	1.2
170.07271	3.1
171.08044	4.7
172.05263	1.2
173.06018	4.7
177.05473	3.1
179.07047	3.0
180.07773	1.1
181.08604	31.0
183.02824	0.7
187.07506	3.8
187.86131	0.7
188.08437	1.0
190.06241	0.8
190.07849	1.2
193.08614	28.7
198.06801	1.2
199.07578	6.6
201.05508	3.0
202.06137	1.2
202.07811	1.0
203.08571	1.6
203.10573	0.7
204.07672	0.7
205.08577	4.1
205.10281	0.9
205.12216	1.2
207.08038	1.4
215.08574	2.1
216.07831	1.5
217.06627	1.0
217.08611	13.1
218.07286	2.4
219.08215	1.1
221.09550	0.7
231.08057	1.7
231.10170	15.9
232.08754	0.9
233.09645	4.6
234.07005	0.9
235.07442	1.6
246.06822	1.3
247.07547	2.0
248.08125	0.9
249.09190	2.0
250.09935	1.6
261.09265	4.7
262.09860	1.0
263.07123	2.1
265.12173	1.0
275.07147	1.5
276.07712	0.8
277.08505	1.6
278.09424	2.4
279.06363	0.9
279.10190	1.1
282.08923	1.3
289.08691	1.7
291.06821	0.8
292.10864	0.7
293.08493	0.8
293.11563	4.3
294.08862	1.1
295.09680	1.4
299.05670	3.2
300.05936	5.2
301.06046	16.1
307.09692	1.1
310.12021	1.8
321.11179	5.6
322.11951	0.8
323.09079	1.1
325.14474	4.9
335.12997	0.9
338.11316	1.3
343.11697	2.3
353.13885	11.2
354.14569	1.8
355.11600	1.1
357.13391	0.8
385.08655	1.0
385.17422	23.3
386.17139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05507	1.1
56.96535	1.3
57.92176	0.8
65.03921	1.2
67.05499	1.7
69.03413	1.8
69.29733	8.6
71.63487	0.9
73.58278	1.0
77.03913	1.4
78.04698	1.8
79.05066	1.1
79.05495	15.4
81.03413	2.6
81.07041	3.2
83.04929	1.2
84.08092	1.3
85.02887	1.8
91.05465	6.2
93.07018	3.1
94.04152	1.5
95.01331	0.9
95.04948	2.7
95.08600	1.4
97.06492	1.4
98.97543	1.2
103.05467	1.6
105.03379	0.9
105.06993	2.4
107.04968	31.0
109.02841	1.5
109.06473	2.8
115.05405	1.5
117.07003	1.1
119.04919	2.5
121.02861	1.2
121.06463	2.6
122.03604	3.3
123.04397	2.7
124.05198	6.0
125.05959	2.7
129.06975	1.7
131.04880	2.9
133.06465	1.2
135.04369	1.2
137.05029	1.0
137.05989	17.8
141.06972	1.2
143.04845	1.0
143.08536	1.6
144.05730	1.4
145.10011	1.1
147.04379	1.7
149.05984	2.0
151.03877	1.9
152.04655	3.7
159.04573	1.6
160.07594	1.4
161.05939	1.3
163.03827	1.0
163.11197	1.3
165.05455	1.1
165.06859	1.3
166.06194	1.1
167.07050	100.0
170.07289	7.7
173.05969	2.5
175.03786	1.0
177.05455	1.5
179.07033	1.9
180.07770	2.7
181.04927	2.7
181.08626	5.0
187.03882	2.8
187.07549	1.7
193.06442	1.4
193.08545	2.2
194.88942	0.9
197.06062	1.2
198.06673	2.6
199.07478	1.4
201.05467	8.0
203.08589	1.2
205.04839	1.7
205.10216	1.7
205.12196	2.3
206.05629	1.3
206.07350	1.0
207.06349	1.3
207.07982	3.1
208.05194	2.1
209.05963	1.3
211.07315	1.3
213.05473	1.1
216.07793	3.7
217.08505	1.5
218.07231	2.8
219.06348	1.4
219.08174	1.9
221.06096	5.9
223.07567	1.1
223.13165	1.2
231.06522	2.0
231.10155	15.5
232.08705	2.5
233.09651	6.1
234.06694	1.5
235.07591	7.0
236.08224	1.2
237.09148	1.2
238.06123	1.2
239.06979	3.1
246.06793	1.1
247.07597	1.8
248.08334	1.6
249.05559	2.1
249.09073	2.6
250.06157	1.9
250.09863	3.2
251.10727	1.1
254.05795	1.3
260.08325	1.1
261.09189	5.1
262.06448	1.0
262.09500	1.2
263.07028	6.2
263.09964	0.9
264.07574	2.7
265.04807	1.2
265.12180	2.7
267.06525	13.9
269.07965	1.8
271.09485	1.9
275.10571	1.5
276.11377	1.1
277.08499	2.7
278.06491	1.3
278.09320	7.1
279.06641	1.0
279.10065	3.6
280.07184	1.4
281.08020	2.6
282.08887	20.5
283.06085	2.5
284.06543	1.0
285.07492	1.2
289.08600	1.3
291.06378	1.3
292.07211	2.3
292.10345	1.0
293.11768	8.3
294.12250	1.1
295.06345	1.2
295.09601	4.2
296.10239	1.5
297.07587	1.4
299.09158	2.4
301.07001	1.1
307.09543	4.1
309.07419	2.7
309.10901	1.5
310.08203	10.3
310.11902	2.6
311.08719	1.6
313.07043	1.9
315.08685	5.4
321.07730	1.4
321.11069	6.3
322.11774	1.1
323.09055	3.3
324.09848	1.6
325.07117	1.6
325.10867	1.6
325.14319	4.6
327.08466	2.8
328.09488	7.7
330.11142	7.1
339.08554	1.5
339.12299	2.9
341.10071	2.5
343.11765	40.7
344.11755	1.1
353.10248	1.7
353.13892	16.3
354.14624	1.8
355.11584	2.6
357.13330	3.0
367.08020	2.6
368.15057	1.3
370.14182	2.2
385.08728	1.6
385.16525	41.9
386.16522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Sigmoidin J
Peak:m/z	Relative Intensity
53.03986	2.6
55.01904	1.2
56.96592	0.6
65.03992	0.6
67.05526	0.9
67.69057	0.6
69.03445	1.1
69.07067	0.7
69.42244	4.8
70.06609	1.2
71.49983	0.7
72.08201	1.6
78.04703	3.0
79.05495	9.2
81.03458	0.7
81.07101	2.2
81.52759	0.6
83.06090	0.5
84.96065	0.6
85.02946	2.5
86.09747	2.1
87.00872	0.8
91.05490	6.2
93.07076	3.8
95.05016	2.1
95.08620	0.6
98.21496	0.7
98.97603	1.0
103.05515	2.3
105.01932	0.8
105.04565	0.7
105.07016	7.2
106.04188	1.9
107.04964	18.0
108.05819	0.8
109.02896	0.7
109.06498	0.9
110.07218	1.4
115.05482	3.4
116.07167	1.0
117.03471	0.9
117.07034	2.7
119.05016	1.3
119.08650	1.0
120.04469	1.4
120.05769	1.1
121.06514	10.6
122.03659	0.7
123.04436	6.2
124.05219	5.2
125.06045	1.0
128.06212	4.0
129.07034	1.5
131.04944	1.5
131.08600	0.8
132.02110	0.8
132.05751	1.1
133.06491	7.4
134.03661	0.9
135.04466	1.0
135.08136	0.9
136.05199	0.7
137.02333	0.5
137.05991	2.3
138.05615	0.8
138.06735	1.3
141.07008	0.9
142.07861	0.7
143.04839	0.6
143.08560	2.7
144.05704	1.6
145.02827	1.2
145.06525	3.8
147.04364	1.0
149.06004	5.0
151.03931	2.2
151.07574	1.6
152.04707	2.6
152.06163	0.7
153.05519	1.1
153.07011	1.6
155.06035	0.9
156.05695	7.9
157.06456	1.3
158.99664	0.6
161.05995	7.1
162.06700	0.8
163.03830	0.7
165.01854	1.5
165.05519	0.8
166.02176	0.9
166.06248	2.3
167.07050	100.0
168.07376	1.4
170.07253	3.3
171.08028	5.3
172.05252	1.1
173.05984	4.4
175.07535	0.8
177.05429	3.5
179.07074	3.7
179.08437	0.8
181.05022	1.1
181.08604	31.4
184.05075	1.0
187.07564	4.7
188.08347	1.6
190.07709	1.4
191.08475	0.8
193.08607	27.8
198.06784	1.1
199.07529	4.4
201.05516	6.9
202.06183	2.0
203.08662	0.8
203.10622	1.3
205.08612	5.5
207.08095	1.3
210.05402	0.7
215.08574	1.7
216.07729	1.7
217.08586	12.5
218.07227	3.0
219.08012	1.9
219.10062	0.9
221.05984	1.1
221.09616	0.8
231.08202	1.2
231.10150	15.7
232.08784	1.8
233.09636	5.7
235.07455	2.6
243.07928	0.7
246.06691	0.9
247.07518	1.5
248.08298	1.1
249.09016	1.5
250.09808	1.1
260.08160	1.1
261.09131	4.6
263.06894	2.2
263.10861	0.6
264.11075	0.7
265.11862	1.2
275.06943	0.9
275.10211	0.6
277.08511	1.7
278.09186	2.5
279.09979	1.1
281.07770	0.6
282.08679	1.7
289.08481	1.4
290.73383	0.6
291.06506	0.6
292.07196	0.7
292.10498	0.7
293.08447	0.6
293.11679	3.9
295.09250	1.7
299.05414	1.5
299.81375	0.6
300.05655	2.3
301.06067	8.9
306.08594	1.3
307.09671	1.4
310.11725	1.7
315.08377	1.0
321.08224	0.6
321.11206	6.3
323.08911	1.5
325.06549	0.7
325.14233	4.8
330.10791	0.8
335.12704	0.8
338.11014	1.0
339.12170	1.3
343.11682	2.8
353.13855	11.8
354.14124	1.0
355.11273	0.9
368.14926	0.7
370.13687	1.4
385.16547	21.5
386.17090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34629	1.3
50.41481	1.6
53.03940	1.9
54.49432	1.4
55.01865	2.4
55.05494	2.1
66.19289	1.3
67.05488	3.0
67.64677	1.3
69.03421	2.1
69.80437	1.5
69.87908	1.4
71.04963	1.6
71.59995	1.5
71.60362	2.0
74.04012	1.4
77.10462	1.6
78.21197	1.3
79.05488	6.2
81.07046	5.1
85.02908	3.4
85.06567	1.5
91.05489	11.9
93.07032	7.9
95.04963	4.1
95.08601	2.0
99.78319	1.6
103.05458	12.4
105.07010	6.5
105.33873	1.4
107.04977	8.1
107.08580	1.5
109.06529	2.9
110.68123	1.8
115.05447	8.5
117.03362	3.0
117.05748	5.3
118.06563	4.4
119.04915	3.0
119.08524	1.5
121.06501	10.0
123.04414	3.3
127.03835	1.6
130.06532	36.9
131.04904	3.9
131.07349	12.9
132.08093	9.1
133.06482	3.3
137.05992	13.7
143.07266	3.1
144.08044	2.1
145.02806	3.9
145.06499	3.0
146.06024	17.6
147.04391	4.0
147.06778	1.7
148.07535	2.0
149.05956	6.7
151.03951	3.1
151.07529	2.2
154.06239	5.9
157.07619	1.7
158.06020	47.0
158.09598	4.0
159.06821	37.6
160.07582	53.1
161.05981	2.5
163.03940	1.9
166.06242	5.3
167.07059	24.8
168.08054	7.7
172.07553	2.6
173.05992	4.7
175.08699	5.7
177.05525	10.1
179.07034	6.5
181.05011	12.5
181.08609	26.9
186.09164	14.5
191.07025	3.5
193.08560	3.5
196.07648	4.0
201.05469	19.3
205.04944	2.2
207.06445	2.1
209.08142	10.1
210.08981	7.0
217.73590	1.5
218.07199	1.7
219.07997	2.0
221.06044	1.7
231.10219	2.4
235.07457	1.9
237.04662	1.9
246.09216	1.8
247.07561	3.2
258.09109	2.2
274.08707	3.9
275.09366	3.7
276.10092	2.4
279.06558	2.0
279.09787	2.2
282.08731	2.7
285.56470	1.6
285.60544	1.4
290.11719	4.0
292.09909	3.8
293.11380	1.8
303.09009	6.2
304.09286	2.1
306.11700	2.2
307.09213	1.9
307.12338	2.0
309.07617	2.0
310.08325	3.0
318.11313	14.2
320.09219	2.3
321.10950	2.0
322.14261	5.0
325.10672	2.7
325.14328	3.5
332.12439	2.2
335.11801	3.2
337.06622	1.8
343.11639	2.4
350.13858	88.1
351.14188	2.5
353.13815	2.5
355.11777	1.6
367.07599	2.6
367.11816	3.1
368.14932	100.0
369.15192	3.2
385.12619	4.6
385.17087	8.3
385.22119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01855	2.4
55.05536	1.9
65.03925	1.9
66.04829	1.6
67.05529	1.8
69.03423	4.9
69.35783	3.0
69.36115	15.1
70.06614	3.4
70.38865	1.5
79.05486	16.2
81.03408	1.8
81.07059	3.5
84.08147	3.2
85.02905	6.9
86.09684	2.1
91.05490	17.0
93.07067	9.1
95.04972	4.3
95.08540	1.6
97.02870	2.2
98.97578	2.1
103.05463	3.7
105.07045	7.3
107.04274	2.9
107.04964	44.5
109.02873	3.4
110.07207	4.2
113.06084	1.6
113.48750	1.7
119.04965	2.9
120.05732	2.1
121.06552	12.7
121.10177	2.9
123.04456	5.8
124.05242	8.2
127.03896	2.3
128.06201	2.2
129.07013	22.5
130.06525	5.5
133.06509	3.3
133.10136	2.2
137.06032	4.7
137.09615	2.8
139.07516	2.1
143.07365	3.3
145.04868	1.8
145.06450	2.2
146.06004	4.7
147.04367	3.3
147.08015	2.4
149.05951	5.2
149.09634	14.0
152.04666	3.5
154.06546	7.1
155.07317	7.7
156.05780	1.9
156.08104	36.3
158.06039	1.8
158.09703	12.6
159.11757	2.3
161.06012	3.1
163.03983	2.2
163.11145	2.0
165.05566	1.9
166.06273	5.3
167.07063	94.5
168.07620	2.0
170.06021	6.0
172.07555	4.3
172.08902	1.9
175.11278	2.2
177.05551	2.5
178.58435	1.6
179.06990	2.9
181.04967	5.6
181.08612	48.1
183.06805	15.9
184.07603	100.0
186.09164	15.1
187.11188	6.8
193.08635	7.8
196.07611	6.6
200.07066	2.0
201.05492	5.8
205.12186	9.1
207.06497	4.3
214.08649	29.4
215.08444	2.1
217.08629	6.6
223.13351	7.5
231.10162	4.4
258.09363	2.4
261.07739	3.0
275.09583	2.3
276.10184	2.8
290.11740	3.9
292.09741	2.1
303.08786	1.9
304.09839	1.9
306.11267	1.9
318.11215	10.0
319.12030	27.5
320.09152	2.5
334.10590	1.9
335.11224	1.9
338.13898	34.8
339.14584	2.3
350.13873	24.2
368.14975	55.6
385.14258	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	385.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36936	1.1
69.72591	2.5
69.73003	3.5
78.04697	2.6
78.75077	1.1
79.05492	4.9
80.85028	1.2
85.02901	1.7
91.05484	4.8
93.07028	1.1
95.04977	2.4
103.05482	3.7
105.07051	1.8
106.04179	2.8
107.04955	6.1
107.08555	1.5
108.26178	1.0
115.05445	1.5
117.05766	2.6
117.06989	1.3
118.06582	1.5
121.03976	1.2
121.06459	1.4
123.04436	9.6
124.05247	2.0
129.07001	3.5
130.06551	10.3
131.04933	1.4
132.08098	9.0
137.05994	3.0
143.07262	3.2
143.08398	1.5
144.08112	1.9
146.06003	11.4
149.05952	1.3
151.03931	1.7
152.04716	2.7
153.05426	1.5
154.06578	1.4
155.07184	2.0
156.08119	4.0
157.05223	2.6
158.06041	14.2
158.09671	10.9
160.07591	24.0
161.05945	2.6
167.07048	100.0
168.07466	1.0
168.08165	1.6
170.06056	7.2
170.07350	1.7
172.07588	8.1
173.05923	1.5
174.09166	2.8
177.05476	1.8
179.07045	3.6
181.05006	1.7
181.08572	5.3
183.06697	6.9
184.07629	12.8
186.09164	15.9
188.07045	3.7
191.07048	3.8
193.08672	3.4
196.07553	9.3
201.05486	5.0
202.08656	1.5
205.08696	1.5
207.06546	3.1
209.08134	1.9
214.08688	3.1
223.13260	1.1
223.38507	1.2
231.10165	3.3
234.09212	1.3
247.40172	1.1
249.07867	1.3
250.12166	1.2
258.09067	1.2
264.10217	1.6
274.08609	1.9
278.11713	2.3
280.09735	1.3
286.08792	1.9
292.09717	2.4
303.08926	1.2
306.11142	1.6
310.14359	5.0
318.11288	4.4
322.10849	1.8
323.11630	1.6
325.10721	1.4
334.10635	1.9
335.11618	3.8
337.13184	2.2
338.13831	8.1
340.15482	2.0
350.13797	9.8
356.14853	4.0
368.14935	96.9
369.15189	3.6
385.18112	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	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01855	10.2
55.05515	39.0
56.96551	4.4
57.03420	7.2
59.04994	2.3
59.53160	1.9
65.03928	2.4
67.05511	31.4
69.07078	19.1
71.04989	7.2
71.21542	2.9
78.87357	2.2
79.05498	31.9
81.03395	7.3
81.07063	27.1
83.04991	13.3
83.08626	23.6
85.02897	6.2
85.06541	4.7
91.05488	22.6
93.07053	35.7
95.04974	56.5
95.08611	23.0
96.65367	2.1
97.02906	2.3
97.06525	8.4
97.09726	1.8
97.10184	20.6
98.97572	5.6
99.04448	5.1
105.07034	21.0
107.04951	10.6
107.08598	35.7
109.06513	7.3
109.10151	11.4
111.04441	13.5
111.08066	5.6
116.98592	2.7
117.07004	5.9
119.08571	20.1
121.06472	5.1
121.10158	18.5
123.08058	4.9
123.11745	2.5
125.09649	14.7
129.06955	4.0
131.08598	16.1
133.10124	16.0
135.08073	8.1
135.11665	8.5
137.09612	4.4
139.11150	3.0
143.08551	3.1
145.06487	2.4
145.10120	20.5
147.08063	5.6
147.11717	11.1
149.09631	25.9
151.11159	2.5
154.07680	2.6
157.10072	4.3
159.11691	7.5
161.13191	3.5
163.11191	20.0
167.07077	9.2
169.10077	4.1
171.11646	2.4
173.09654	2.7
173.13254	6.5
175.11266	2.4
177.12738	3.5
181.12199	2.7
185.13249	2.9
187.11136	3.1
189.11243	17.2
193.12166	3.3
197.13182	2.8
198.06813	2.9
205.12224	4.3
219.17378	2.8
223.13298	50.8
227.12675	2.5
237.07983	2.3
257.19052	8.1
275.20062	65.0
293.21140	50.0
294.21417	3.1
343.11713	2.8
367.24939	29.7
385.12503	3.5
385.16788	4.6
385.23557	5.5
385.26733	3.8
385.31155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01881	15.0
55.05257	3.6
55.05514	66.6
56.96566	2.9
57.03441	16.1
57.07067	3.4
59.04997	2.2
63.02580	1.9
65.03928	3.9
67.05163	3.7
67.05511	61.9
69.03426	6.5
69.07075	19.2
69.46447	12.4
71.05006	6.3
71.08643	31.8
74.75455	1.8
78.80426	1.7
79.05496	49.7
81.03417	18.6
81.07059	47.8
82.15766	1.9
83.04988	24.4
83.08620	35.5
85.02885	6.7
85.06532	3.9
91.05489	23.6
93.07055	40.0
95.04973	43.6
95.08620	30.1
97.02869	2.7
97.06532	10.1
97.10175	41.0
98.20789	3.8
99.04453	5.7
99.08094	25.7
105.07038	21.0
107.04970	15.6
107.08598	37.4
109.06536	6.9
109.10158	25.0
111.04433	20.8
111.08102	10.0
113.05988	1.9
115.05410	2.3
117.07017	10.9
119.08578	16.8
121.06500	5.7
121.10152	14.9
123.04462	2.8
123.08095	4.6
123.11688	7.8
125.05997	2.9
125.09642	34.1
129.06998	5.3
131.08585	14.4
133.10141	10.2
135.08031	8.3
135.11713	14.1
137.05994	4.4
137.09651	6.4
139.07574	2.7
139.11194	6.8
143.08565	4.4
143.10742	2.2
145.10133	15.5
147.08031	4.0
147.11700	11.0
149.09627	14.3
149.13269	5.3
151.11188	6.2
153.09079	6.7
153.12737	8.4
155.10645	4.1
157.10158	6.9
159.11650	5.9
161.09688	3.5
161.13237	3.2
163.11186	38.8
165.12813	5.7
167.07065	14.2
167.10674	3.2
169.10190	2.6
170.07205	3.4
171.10242	4.3
173.13231	3.4
175.11148	2.8
177.12773	10.0
181.12257	5.9
183.11690	3.2
187.11200	2.7
189.11227	38.7
189.12885	3.3
191.10574	5.0
193.05022	2.0
193.12263	4.6
195.13815	16.0
205.12347	3.4
216.07872	2.1
223.13303	18.8
227.12656	9.0
229.19501	3.6
231.10149	5.1
235.07573	2.8
245.13722	2.5
247.20531	2.9
250.09686	2.6
257.18997	8.6
265.21609	3.3
275.20068	50.7
278.09290	3.8
282.08807	2.3
293.11725	4.3
293.21130	100.0
311.22192	2.4
325.14374	3.3
343.11948	2.2
349.23837	2.1
353.13879	3.4
367.24860	24.1
385.16534	5.4
385.26053	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72242	1.9
53.03942	9.4
55.01873	23.4
55.05515	97.9
56.96564	2.6
57.03212	2.1
57.03439	22.0
57.07062	3.9
59.04993	2.6
64.50523	2.0
65.03947	5.7
66.84111	1.7
67.05507	88.3
69.03423	10.7
69.07076	25.5
69.28862	17.4
71.04981	9.6
71.08636	29.3
79.05048	4.3
79.05495	74.1
79.05953	4.2
81.03423	24.5
81.07063	76.1
82.07424	2.3
83.04988	27.4
83.08626	52.1
85.02892	5.9
85.06561	5.7
87.04488	2.5
91.04946	3.7
91.05481	41.9
93.07047	58.1
95.04975	47.3
95.08614	35.4
97.02867	2.7
97.06535	16.9
97.10175	64.6
98.97578	3.0
99.04443	4.0
99.08096	26.6
103.05486	3.5
105.04538	2.8
105.07034	32.4
107.04961	22.7
107.08598	48.7
109.02907	2.4
109.06499	9.6
109.10168	28.4
111.04443	27.1
111.08065	17.6
115.05426	4.3
117.06991	19.3
119.08594	27.9
121.06476	7.5
121.10162	21.4
123.04420	3.3
123.08050	7.0
123.11726	5.7
125.09637	58.0
129.07005	8.0
131.08560	15.9
133.06520	5.3
133.10124	13.6
135.08049	17.1
135.11671	15.2
137.05989	4.6
137.09573	3.3
139.11182	7.1
141.09076	2.4
142.07829	2.1
143.08585	6.1
143.10661	6.1
145.06471	4.3
145.10130	22.1
147.04385	4.0
147.08076	4.1
147.11681	14.4
149.02335	8.6
149.09645	16.0
149.13283	6.7
151.11195	8.4
153.01808	9.5
153.09113	11.6
153.12646	4.3
155.08539	3.0
157.10162	3.8
159.11710	10.5
161.09653	5.6
161.13271	2.7
163.03906	2.9
163.11201	43.6
163.14743	2.5
165.12773	8.1
167.07071	28.6
167.08397	4.0
167.10634	4.4
169.10132	2.0
170.07228	2.8
171.02861	3.5
171.10133	6.2
171.11581	3.6
173.09634	6.1
173.11858	4.5
173.13196	4.6
175.11238	3.7
177.12755	12.8
181.04935	2.0
181.08609	2.5
181.12245	9.1
183.08081	2.0
183.11661	2.5
187.11270	2.5
187.14726	2.3
189.11223	70.8
189.12907	4.4
191.07050	2.3
191.10696	7.1
193.04999	7.2
193.12259	10.6
195.13748	7.1
197.13214	2.6
199.13309	2.6
201.05540	2.2
205.12172	4.8
211.13231	3.7
223.13300	13.7
227.12775	18.9
229.19440	2.7
231.10118	6.9
233.09647	2.4
235.07523	5.1
245.04648	2.7
247.20563	6.6
249.09387	2.2
250.09970	3.6
252.15984	2.3
257.18869	5.1
261.09106	3.4
263.07190	2.7
265.21518	2.6
269.10526	2.1
275.17255	3.0
275.20084	40.8
278.09378	4.9
279.10193	4.3
282.08875	4.7
293.11771	6.3
293.21118	100.0
294.21603	2.2
307.09488	2.3
310.12045	2.7
311.22220	3.5
321.11191	3.2
325.10605	3.1
325.14209	3.0
328.09189	4.0
343.11807	8.1
349.23654	2.6
353.10010	2.7
353.13873	8.1
367.24872	22.0
385.08957	5.6
385.12814	5.3
385.16864	12.2
385.25937	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	385.3103
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
52.40697	1.1
53.03941	3.0
55.01869	1.7
55.05512	15.2
57.07065	5.4
57.69162	1.1
65.03925	1.3
67.05158	1.8
67.05505	26.1
69.03422	1.7
69.07068	17.7
69.83799	7.2
71.04985	3.1
71.08633	2.5
79.05489	13.6
80.26644	1.1
81.03424	1.4
81.07058	43.1
83.04991	1.6
83.08609	11.3
85.06544	10.8
91.05473	12.1
93.06461	1.8
93.07053	39.7
95.04984	5.7
95.08611	83.0
96.08925	1.3
97.06571	2.0
97.10168	6.3
99.04452	3.4
100.21806	1.3
101.06017	2.0
105.07030	24.6
107.04971	1.5
107.08602	45.4
109.06532	5.3
109.10161	40.9
111.11681	1.4
117.07030	7.1
118.12826	1.4
119.07769	2.2
119.08586	29.9
121.06497	1.8
121.10149	53.6
121.11020	2.9
123.08089	3.1
123.11707	14.2
125.09615	1.7
127.07553	5.0
129.07014	1.6
131.08586	11.6
133.10139	22.3
135.08060	3.5
135.11702	39.7
137.09618	15.1
137.13272	7.9
139.07529	1.2
139.11197	1.9
143.08554	4.0
144.09311	1.6
145.10132	15.6
147.11691	19.2
149.09624	2.8
149.13268	19.1
151.11275	1.4
151.14813	2.0
155.10699	8.8
157.10112	3.0
159.11699	18.7
161.13268	15.0
163.11246	3.9
163.14871	5.1
167.07014	2.7
167.10695	2.4
169.10176	1.5
171.11736	3.6
173.13271	14.9
175.14853	13.6
177.09180	4.1
177.12753	2.8
177.16417	3.7
181.12195	3.0
185.13249	2.7
186.14040	1.9
187.11102	1.8
187.14835	13.7
189.16347	13.1
191.17960	54.0
195.13858	3.9
197.13155	1.3
199.14786	4.3
201.16396	8.7
203.17987	7.2
207.13875	1.5
209.15327	1.5
212.82455	1.2
213.16434	1.9
214.17174	2.1
215.17920	7.3
217.19548	3.9
221.15489	1.5
227.18013	3.1
228.18655	1.9
229.19508	18.0
231.21111	37.0
233.15366	1.6
235.16878	1.5
243.20988	2.2
246.90904	1.4
247.16948	1.8
249.18515	3.8
257.22641	30.9
261.18619	1.8
271.24252	12.8
275.20111	2.7
289.21686	1.7
315.23233	4.7
329.24850	2.8
343.26328	3.1
367.22598	1.7
367.30206	1.3
377.00119	1.3
385.23416	4.7
385.31052	100.0
386.31253	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	386.1262
Annotation	Tepoxalin
Peak:m/z	Relative Intensity
53.96461	1.4
56.96546	2.0
58.17542	1.5
61.50025	1.4
67.05513	3.6
69.07066	3.2
71.59241	1.4
71.59705	2.2
74.68639	1.2
78.51873	1.3
79.05482	4.6
81.07050	4.3
83.08593	1.7
91.05492	3.8
93.07032	1.8
94.62737	1.3
95.08600	2.5
105.07020	2.9
107.04975	1.4
109.06504	1.5
109.10144	2.2
121.10041	1.5
143.77968	1.3
145.10121	1.6
153.35204	1.3
156.08058	1.8
167.07060	1.6
170.78117	1.6
189.11247	1.6
219.09183	2.0
247.08710	18.5
248.09077	3.4
280.27969	1.5
333.19144	1.8
384.82230	1.6
386.12674	100.0
387.13031	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	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02822	2.3
55.50753	1.9
57.03441	31.0
61.02922	12.4
69.03432	28.7
69.75365	5.4
69.75779	5.5
70.95381	1.7
71.01370	2.7
73.02921	62.3
81.03434	4.6
85.02909	100.0
86.09754	2.2
87.04475	2.9
89.25101	1.9
91.03951	6.8
97.02901	45.6
99.04440	2.9
102.63326	2.1
109.02878	9.4
115.03933	32.9
127.03922	28.8
132.06587	1.8
133.04979	10.1
145.04953	51.4
163.06021	36.6
167.07034	13.3
202.06790	9.8
223.06023	3.4
237.13362	5.5
241.07260	3.1
259.08154	3.0
295.10266	3.2
387.16327	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
57.03443	25.6
58.55980	1.5
61.02937	13.3
65.02998	1.5
67.30162	1.4
68.32410	1.4
69.03434	27.4
70.06617	1.4
70.99048	3.2
70.99396	2.3
71.01334	3.4
73.02923	55.8
81.03421	5.2
85.02911	100.0
87.04465	2.4
89.34605	1.7
91.03934	5.3
97.02898	53.3
99.04472	4.4
103.03967	1.9
109.02876	8.0
115.03944	29.9
127.03059	2.7
127.03934	32.5
133.04976	8.1
138.09126	1.6
145.04973	53.4
150.07652	2.0
163.06030	31.4
167.07037	3.1
195.61577	1.5
207.16042	1.5
223.06107	3.7
228.44623	1.9
237.13446	3.8
241.07104	5.1
259.08112	3.1
295.10120	2.3
343.13727	4.1
386.22552	2.4
387.12317	9.0
387.16876	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	386.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	50.1
57.68872	23.1
67.05501	85.5
69.07063	97.0
71.42093	23.5
71.59873	30.9
79.05483	77.2
81.07051	98.8
82.00618	27.8
91.05447	63.2
93.07037	100.0
95.08623	52.9
105.07041	45.1
107.08590	62.9
109.10194	36.6
119.08601	61.9
121.10141	44.0
126.09981	33.3
133.10089	30.2
135.11703	46.7
147.11656	39.6
386.28275	38.8
401.13287	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	387.1265
Annotation	Axitinib
Peak:m/z	Relative Intensity
61.02943	0.7
68.35852	0.7
70.06584	1.3
70.75979	1.0
70.76307	1.8
76.26182	0.7
81.03412	0.8
81.07037	0.8
84.57014	0.7
85.02877	2.2
86.09695	1.5
91.05488	1.1
95.04961	1.6
95.29346	0.7
97.02905	1.3
117.03293	0.8
129.10217	1.2
139.07294	3.2
143.42883	0.7
163.03911	1.5
167.07051	2.0
207.06494	1.2
213.28102	0.7
221.05237	0.9
227.05215	1.9
301.12607	7.1
325.12589	1.3
329.31357	0.8
343.13660	44.6
369.11212	1.7
387.12540	100.0
388.12854	2.4
413.52469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.129
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	0.9
55.05507	0.9
61.02910	0.7
64.27852	0.5
67.05495	1.2
69.03415	2.2
69.07059	0.6
70.06598	3.3
71.59428	0.6
72.08146	1.7
73.02925	1.1
78.04710	2.4
79.05470	1.4
81.03390	1.4
81.07022	1.5
83.04986	1.0
83.89344	0.5
84.04488	0.6
84.08130	0.8
85.02908	4.1
86.09700	4.4
91.05500	2.9
93.07026	1.8
93.37843	0.5
95.01317	1.3
95.04953	1.7
95.08628	0.8
97.02883	1.9
98.97600	0.6
103.05431	0.9
105.07021	1.9
106.04180	0.9
107.04941	1.9
107.08593	1.3
109.02862	1.1
110.09690	0.7
116.07065	1.1
119.04937	0.9
119.08599	0.9
120.04454	1.7
121.06495	2.0
121.10147	1.3
122.03643	0.7
123.04452	5.8
123.08033	0.8
124.05198	1.6
125.05948	0.5
127.03922	1.2
131.08507	1.6
133.06558	1.2
133.10115	1.0
135.04417	0.6
135.08061	0.5
137.05960	1.4
139.03825	0.5
141.01883	0.8
141.06862	0.5
145.04935	0.9
145.10127	0.5
147.04349	0.9
147.11644	0.8
149.05988	1.3
149.09602	1.3
151.03912	1.7
151.07498	0.9
152.04669	1.2
161.05995	1.4
161.13240	1.0
163.03976	0.6
163.11198	2.2
167.03380	2.1
167.07050	100.0
168.07422	1.1
171.11688	1.2
179.07053	1.3
181.08585	1.5
181.12250	1.0
189.12764	0.9
193.08607	3.7
207.06554	1.6
207.13831	3.1
211.09737	2.7
225.14798	0.8
234.78737	0.5
286.81302	0.5
325.16187	1.1
343.13513	0.7
369.14383	0.7
369.55963	0.5
387.16290	61.1
388.16092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
52.94734	1.9
55.01873	4.7
57.03434	3.1
57.83663	2.1
60.33753	2.2
68.83855	1.8
69.03428	6.9
69.23916	14.2
69.24342	8.3
70.06570	2.4
79.05485	4.5
81.07076	3.2
85.02898	6.9
89.03915	6.1
91.05476	8.7
95.04988	2.8
95.08564	3.3
98.21605	4.0
99.04490	3.1
105.07046	4.5
107.04935	4.5
109.02897	2.5
110.06053	3.7
115.05499	3.5
117.03382	2.5
117.07026	3.0
119.04941	2.9
121.06532	4.5
129.06979	2.4
131.04874	2.6
135.04425	8.4
135.08066	2.6
136.04010	2.8
137.05984	10.7
145.02870	4.0
145.06543	3.7
147.04434	5.9
148.55811	1.8
149.09615	3.4
151.03926	2.1
151.07524	3.9
153.05499	8.3
161.06062	2.5
162.05516	3.5
163.03920	31.2
165.07030	5.8
167.07060	18.9
172.05255	2.4
173.05998	3.6
175.03941	7.1
177.05490	2.8
177.06970	3.6
179.08510	8.0
181.04988	4.6
181.06494	4.7
183.08261	2.8
187.07553	3.1
189.07045	7.2
189.12796	2.2
190.07852	6.3
191.08586	7.6
193.06488	3.1
194.07397	2.9
202.07898	5.5
203.06912	3.5
203.08600	9.2
205.06583	13.5
205.10320	2.3
206.07278	10.9
207.06482	6.6
207.08197	10.4
207.13708	9.9
208.06064	2.7
208.08891	7.5
209.06093	3.0
211.07527	4.1
217.06509	5.3
218.07346	13.1
219.08084	29.9
220.08853	4.5
221.06042	12.2
221.09610	10.3
222.06662	4.2
223.07523	8.7
224.08498	2.8
225.09003	5.3
225.14970	3.0
230.07428	3.1
231.08160	11.4
232.08871	4.3
233.06026	7.2
233.09621	6.2
234.06747	18.1
235.07545	25.5
236.08374	11.1
237.05478	2.4
237.09132	7.5
239.06917	2.5
245.06068	3.0
246.06837	7.7
247.07544	31.3
248.08379	19.1
249.05457	10.7
249.09152	25.3
250.06339	8.4
250.09798	3.8
251.07088	10.7
251.10791	7.0
252.07826	3.6
253.08676	4.8
258.06696	2.7
259.07599	4.3
260.08344	7.8
261.05463	3.5
261.09253	10.0
262.06317	7.4
262.10114	3.2
263.07095	30.0
263.10648	5.9
264.07791	37.9
265.04877	3.7
265.08664	15.8
266.05865	3.9
266.09326	4.8
267.10233	5.0
268.07260	3.0
274.06320	3.1
275.07144	8.5
276.07706	11.6
277.08655	22.3
278.05875	3.8
278.09265	3.1
279.06577	6.3
279.10220	25.7
280.07385	8.7
281.08313	5.5
281.11761	5.7
289.08627	6.2
290.09393	6.8
291.06604	6.3
291.10242	12.9
292.07370	7.5
293.08099	16.4
294.08908	6.4
295.09634	17.2
304.07257	3.3
305.08127	8.3
306.08887	4.7
307.09677	44.3
308.10376	7.5
309.07956	4.1
309.11304	13.9
311.09387	3.8
311.12631	4.7
313.10880	3.7
319.09744	8.8
320.10425	2.8
321.07776	2.9
323.09100	26.5
323.12473	3.5
324.10016	3.4
325.10834	7.7
326.11417	3.0
327.12256	5.7
336.10062	3.4
337.10666	10.3
338.11389	6.1
339.12320	24.9
341.13852	5.1
351.12347	15.3
355.11813	2.4
357.13208	14.7
369.13345	79.4
387.14444	100.0
387.19702	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	387.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
61.02924	0.7
61.19848	0.5
67.05470	0.6
67.11763	0.4
69.03422	1.8
70.06573	1.4
70.64629	0.5
70.64967	1.4
71.04989	0.5
72.06848	0.5
72.08154	0.7
73.02908	1.7
78.04713	1.4
79.05463	1.4
81.07050	0.4
84.08120	0.7
85.02906	3.8
86.03249	0.7
86.09705	2.7
91.05476	1.4
93.07040	0.9
95.01324	1.1
95.04972	0.9
95.08569	0.5
97.02868	1.3
98.97606	0.6
103.05476	0.8
105.06998	1.1
106.04181	0.9
107.04939	1.9
107.08585	0.6
109.02879	0.7
115.03912	0.8
115.05427	0.6
116.07092	0.6
119.08611	0.9
121.06516	1.2
123.04433	3.5
124.05215	1.2
127.03912	0.9
135.79422	0.5
137.05974	1.5
141.01884	0.7
145.05016	1.1
146.05223	0.6
149.05956	0.9
151.03893	0.9
151.07523	0.7
152.04662	1.3
161.05962	0.7
163.11191	1.1
167.07037	63.8
168.07368	0.9
175.03912	0.7
179.07085	0.6
181.08588	1.3
189.12709	0.7
193.08543	2.9
202.06743	0.8
202.56946	0.6
203.05293	0.5
204.49472	0.4
207.06572	1.4
207.13805	1.1
211.09636	1.5
249.50629	0.5
282.25375	0.6
355.11649	0.5
387.16254	100.0
388.16763	2.5
398.79773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1805
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03949	5.6
54.78503	2.1
55.05506	7.8
56.96566	4.8
67.05508	5.0
69.07066	5.4
71.61115	3.3
75.85844	2.5
78.04729	2.9
78.59732	2.2
79.05511	21.1
81.07047	8.0
81.91377	1.9
83.08625	2.1
91.05485	15.2
93.07050	11.3
94.04181	4.8
95.04977	5.9
95.08595	6.1
97.10168	6.6
98.97565	2.8
103.05451	6.6
103.46727	2.0
105.04485	2.1
105.07011	6.2
107.04287	2.3
107.04969	31.7
107.08588	4.0
109.02879	2.5
109.06543	2.6
109.10133	3.4
117.06998	4.8
119.04956	3.9
119.08607	3.8
120.05760	4.8
121.06512	18.4
121.10111	3.1
122.03663	4.0
123.04449	3.5
123.85535	2.3
124.05198	6.6
125.05981	4.7
125.09689	3.5
129.07042	5.0
130.07770	5.6
131.08617	2.9
133.10150	3.4
137.05974	35.6
138.06747	2.2
139.07536	2.1
143.08612	10.8
145.10141	17.8
147.04393	3.5
147.11659	2.5
149.06020	2.8
151.03941	3.3
151.11099	2.3
152.04674	3.4
154.07767	2.2
155.08582	4.8
158.06192	2.2
158.07286	16.5
166.06331	9.7
167.07060	82.4
173.09630	30.1
181.08614	100.0
186.06715	3.3
189.11284	2.4
195.10228	10.0
197.19525	2.1
201.09126	50.2
205.88272	1.9
218.09267	4.4
233.11751	35.5
234.01862	2.0
369.24023	3.6
387.17932	8.3
387.24997	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	387.1802
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03934	3.3
53.36957	0.8
55.01862	1.2
55.05510	2.3
56.14484	0.7
65.03944	0.9
67.05495	2.7
69.03425	2.1
69.07077	2.1
70.50136	2.9
71.04993	1.2
72.08138	0.8
78.04710	3.1
79.05492	17.0
81.03400	1.9
81.07049	3.4
83.04969	1.0
83.08607	1.5
83.94968	0.9
84.08138	1.6
85.02929	1.0
91.04941	1.6
91.05482	17.1
93.07048	14.6
94.04182	2.0
95.04984	6.0
95.08623	2.5
97.06527	3.4
103.05455	7.0
105.03371	1.0
105.04488	1.7
105.07047	6.0
107.04958	29.8
107.08595	2.8
109.06514	1.3
109.10165	2.0
111.04413	1.1
111.08110	0.9
115.05479	2.4
117.07011	3.3
119.04949	3.5
119.08570	2.2
120.05711	2.7
121.06509	18.0
121.10182	0.9
122.03665	1.9
123.04448	5.1
124.05194	7.1
125.05994	3.1
127.03902	1.0
128.06216	1.8
129.06993	1.9
130.07768	4.4
131.04887	2.4
131.05876	1.0
133.10097	1.2
134.03621	0.8
135.08076	1.4
137.05983	17.8
138.06758	1.7
142.07765	0.9
143.08548	9.2
145.06500	2.9
145.10133	19.9
147.04407	2.1
148.05157	2.2
149.05992	3.3
151.03903	3.6
151.07469	0.9
152.04654	3.6
153.05458	1.1
155.08557	5.8
157.06514	1.8
158.07271	20.6
163.07542	1.9
166.06262	10.5
167.07047	96.4
168.07329	0.8
171.08051	1.1
172.08794	1.2
173.06021	2.0
173.09624	35.7
175.06145	0.9
175.07643	0.9
181.05150	5.6
181.08597	100.0
182.08981	2.1
183.09203	3.0
186.06799	2.5
187.07607	1.1
189.09064	0.9
191.07065	1.2
195.10138	7.5
201.09109	58.8
203.06915	1.8
205.08397	1.2
207.06560	1.9
218.09378	3.1
226.15562	1.0
233.11740	38.1
233.14078	1.9
337.10516	1.0
355.15256	2.7
357.13449	1.2
369.13449	1.8
387.13544	5.6
387.18408	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	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19372	10.3
67.05513	26.7
67.62757	11.4
69.37593	77.2
69.37998	22.8
69.39800	10.1
82.25638	10.0
85.02901	10.5
95.08617	100.0
98.21566	14.2
105.07091	13.6
113.06021	18.1
114.27928	9.8
119.04916	17.4
119.08589	15.2
121.10181	10.0
123.08076	39.8
135.11749	20.0
135.53766	9.0
147.04434	18.4
149.09656	29.2
167.07121	25.2
173.75453	12.0
174.05991	9.5
175.03912	24.8
189.12666	10.3
207.06497	41.9
207.13797	77.3
225.14607	12.3
266.81931	11.9
387.16092	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	387.253
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03940	4.6
55.01876	7.4
55.05265	1.3
55.05510	17.6
57.03429	3.8
57.07064	2.3
63.61757	1.0
65.03938	1.9
66.57797	1.2
67.05173	1.6
67.05509	31.0
69.03419	6.9
69.07069	14.4
71.04984	1.8
71.59731	1.2
71.60106	2.1
77.83221	1.0
79.05493	26.2
81.02976	1.4
81.03422	18.3
81.07062	31.5
83.04976	6.2
83.08625	8.4
85.02892	4.9
85.06530	3.5
87.04481	2.0
91.05486	31.7
93.07049	27.6
95.01325	2.5
95.04962	8.4
95.08607	23.8
97.02888	6.5
97.06518	3.4
97.10162	4.4
99.04436	2.9
103.05470	1.6
105.07035	32.6
107.04974	5.8
107.08594	16.8
109.02898	2.5
109.06496	3.2
109.10140	10.2
111.04457	7.6
111.08074	2.0
112.78793	1.0
115.05453	3.7
115.26204	1.1
117.07024	20.3
119.05038	1.0
119.08575	20.6
121.06492	4.9
121.10146	11.0
123.04433	8.8
123.08044	3.3
123.11700	3.4
127.53295	1.0
128.06242	7.1
129.06035	1.1
129.07007	21.1
130.07791	2.1
130.41649	1.2
131.04924	2.1
131.08568	27.3
133.06499	6.6
133.10127	15.4
135.08035	4.1
135.11723	7.5
137.05977	2.1
137.09573	1.7
137.13289	1.1
141.07011	9.7
142.07765	6.8
143.08562	22.4
144.09305	1.7
145.06490	8.7
145.10121	21.7
145.78493	1.1
147.04407	2.3
147.08087	7.6
147.11705	12.0
149.04831	2.1
149.05978	2.8
149.09608	4.2
149.13286	5.1
151.07603	2.6
153.06995	2.3
155.08563	13.4
156.09386	2.2
157.06483	5.8
157.10143	14.7
158.07220	1.3
159.08060	9.3
159.11700	15.9
161.06013	3.7
161.09616	4.3
161.13251	5.1
163.06284	4.1
163.07523	2.3
163.11234	1.7
163.14816	1.3
164.07069	1.6
165.06976	2.6
167.08502	4.3
168.09366	1.4
169.06387	1.9
169.10162	11.4
171.08052	7.7
171.11678	12.2
173.06027	1.1
173.09595	6.2
173.13260	10.6
175.07549	4.0
175.11211	2.7
175.14818	2.5
177.09148	1.3
179.08536	2.0
181.10083	5.5
183.08055	4.4
183.11691	8.4
184.08842	3.0
185.09656	6.2
185.13235	10.8
187.07550	1.9
187.11195	6.1
187.14841	4.1
189.09094	2.7
191.10759	1.5
193.10202	2.6
194.08154	2.5
195.11688	3.3
197.09639	4.8
197.13266	5.6
198.10367	1.4
199.11194	6.3
199.14824	5.9
201.09105	3.3
201.12805	3.3
201.16348	1.9
203.10715	3.6
203.14354	2.6
207.11758	1.6
207.13539	1.2
209.13263	4.6
211.11215	3.5
211.14848	4.0
213.12865	6.2
213.16412	2.6
215.10707	1.3
215.14285	2.4
217.12315	1.9
223.14880	3.6
225.12744	3.2
225.16328	1.3
227.14236	3.3
229.15884	2.0
231.13850	2.3
235.14908	1.3
235.92517	1.2
239.14255	1.7
241.15808	1.3
243.13881	1.8
259.20584	1.7
267.17386	1.0
271.20541	2.4
273.22070	1.2
275.20172	1.7
277.21689	4.9
285.18915	1.3
285.22034	2.0
287.19876	1.4
289.21643	3.8
295.20834	1.2
296.05634	1.2
297.22162	3.0
301.21466	1.7
303.23273	2.5
309.22235	2.0
313.21655	2.9
315.23267	3.2
323.23715	4.3
325.21689	1.5
327.23184	9.5
333.22101	1.9
339.23035	1.9
341.21130	1.8
341.24762	11.5
343.22556	1.7
345.24521	1.7
351.23236	15.8
359.25800	3.4
369.24243	68.0
370.24478	3.6
387.25290	100.0
388.25693	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
54.72508	2.0
57.03427	8.3
63.56382	2.1
67.05491	3.5
69.03438	49.1
70.06596	49.8
71.04992	12.2
71.61116	2.9
72.08147	4.1
79.05489	5.9
81.00607	2.2
81.03429	31.0
85.02905	51.5
87.00833	32.3
87.04482	5.6
89.78586	2.1
91.05473	3.5
93.07044	3.6
95.04974	3.5
97.02898	70.3
99.04465	26.0
105.01875	24.7
105.07043	21.6
107.04968	6.6
107.08616	3.3
109.02884	13.7
114.78725	2.3
120.04480	3.1
121.06519	2.9
127.03920	100.0
129.10272	2.3
133.10121	3.0
137.06003	3.3
138.06267	2.5
145.04962	68.4
145.06128	3.7
149.73421	2.5
167.07092	4.4
168.07397	2.8
169.57562	2.3
171.02873	3.9
173.13278	2.7
181.05043	3.5
213.04047	4.4
231.05011	46.5
249.06053	23.8
258.11014	2.1
330.43988	2.5
352.24496	4.2
353.56882	2.2
388.23035	2.8
389.06436	3.1
389.12149	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19649	0.5
53.03949	5.0
55.01875	8.0
55.05523	0.6
57.03441	6.3
57.82992	0.5
60.04567	0.7
61.02930	6.7
68.99801	3.5
69.03432	35.6
70.06596	2.0
71.01344	0.8
71.05000	4.9
71.60179	0.9
71.60555	0.6
73.02914	7.2
79.05505	2.1
81.03422	24.2
81.07060	0.6
83.01360	1.5
85.02908	100.0
86.04935	0.5
86.09710	0.5
87.00833	42.7
87.04442	0.8
88.07592	0.9
91.03942	1.4
91.05487	1.5
93.07017	0.6
97.02898	28.3
99.04460	12.3
101.02379	1.2
102.17823	0.5
103.04007	0.7
103.05484	0.7
103.96436	0.5
105.01871	62.9
105.07027	12.0
107.04966	1.9
108.04496	3.7
108.05162	0.7
109.02882	27.5
115.03975	1.5
117.01857	3.1
119.08527	1.0
121.10188	0.6
126.05506	1.3
127.03923	72.9
129.01805	4.0
137.05975	0.6
145.04965	36.8
147.02921	2.6
159.02888	16.7
165.02893	0.6
167.07062	7.5
168.07390	5.6
171.02928	1.3
177.04012	1.3
187.07722	0.6
189.03932	4.0
208.14041	0.7
213.03992	2.3
213.09187	1.7
230.06708	1.3
231.04993	22.5
231.10182	1.2
232.05345	0.9
248.07709	1.9
249.06088	7.6
388.20370	0.8
388.37131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97728	0.6
53.03936	3.0
55.01858	1.7
57.03436	9.1
61.02915	1.3
65.03938	2.0
67.05524	0.9
68.99782	1.5
69.03430	10.7
69.41725	1.8
69.42134	3.3
71.04984	1.7
73.02906	1.2
79.05495	1.3
81.03421	12.5
81.07022	0.9
85.02415	1.0
85.02911	17.6
87.00825	2.0
91.05487	64.7
93.23727	0.7
97.02893	19.0
98.30741	0.7
99.04459	6.6
101.02382	53.9
105.07043	1.3
107.04958	1.0
108.04485	1.8
109.02129	0.7
109.02882	17.8
119.03420	100.0
121.75868	0.6
121.79035	0.6
126.05531	1.3
127.03922	22.8
129.01773	0.8
129.07007	1.0
131.03413	4.2
137.05962	1.5
145.04948	8.6
145.06053	1.0
145.06537	1.0
148.84488	0.8
161.04425	1.9
167.07050	2.0
168.07391	1.1
171.07979	0.8
172.13429	0.9
173.04460	6.4
175.07491	1.1
177.70329	0.7
181.08629	1.1
185.04565	0.7
197.04417	1.0
199.07640	0.8
203.05470	2.0
227.05507	1.7
235.09750	0.7
243.16696	0.7
245.06548	8.8
250.41078	0.7
263.07642	3.5
388.14621	1.0
388.25430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38472	1.1
55.01865	1.8
55.05511	2.9
56.05017	1.5
67.05495	3.4
69.03430	4.8
69.07072	2.6
69.31552	11.3
70.06588	2.3
71.04973	1.4
79.01404	1.3
79.05489	5.2
81.03443	1.0
81.07046	5.8
83.04980	2.5
84.04457	1.1
84.08179	1.4
84.64411	1.2
85.02912	7.2
85.06537	2.0
86.06059	1.3
86.09709	8.5
90.24004	1.1
91.05462	5.7
93.07053	7.3
95.04991	2.4
95.08606	4.1
97.02895	1.7
97.06523	1.6
98.56236	1.2
98.97592	2.0
99.04433	1.3
103.05456	2.0
105.03392	4.0
105.07034	4.1
105.72824	1.2
107.04972	2.4
107.08588	5.7
109.02885	1.4
109.06548	2.0
109.10200	1.8
111.08060	1.7
115.05466	1.3
116.07079	1.4
117.07034	2.0
119.08574	2.7
120.08097	2.2
121.06511	1.7
121.10143	7.3
123.08070	2.3
124.07616	1.7
125.09628	3.2
131.04947	2.8
131.08566	2.9
133.10132	3.6
135.08047	1.3
135.11682	1.5
137.05949	2.4
137.09631	2.2
145.05022	1.4
145.10092	1.5
149.09628	100.0
149.13268	2.0
150.05582	1.7
150.10022	1.9
160.07608	1.8
161.09229	4.4
163.07571	2.5
163.14946	1.9
167.07051	3.4
173.13203	1.9
177.05452	1.6
179.07033	1.8
191.14342	9.7
197.08194	1.4
205.08794	1.4
207.06500	2.6
209.13635	1.6
209.15376	10.0
210.14912	5.8
211.13290	1.6
227.16472	2.9
228.16040	7.1
345.20309	4.1
361.74362	1.4
389.13913	4.6
389.17618	3.9
389.21872	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	389.2171
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
52.86052	13.3
55.05504	15.6
60.57897	11.8
67.05499	28.2
68.22352	12.6
69.03425	14.9
69.07051	21.1
69.28363	13.1
70.06580	16.9
70.65151	30.5
70.65517	23.6
79.05491	35.4
81.03421	20.5
81.07064	31.5
83.08629	17.6
85.02919	24.7
86.09718	43.8
91.05486	31.3
93.07047	28.7
95.04937	20.9
95.08589	29.4
97.06527	14.3
102.23445	15.1
103.05499	66.4
107.08585	28.7
108.12597	16.6
121.10100	31.0
125.09630	51.6
131.04915	84.0
131.08641	13.5
133.10117	18.4
149.05904	14.3
149.09616	59.3
153.09161	16.2
160.07584	52.5
161.09207	41.2
163.07585	46.8
167.07074	17.9
177.05501	18.9
179.14398	16.7
191.14302	45.1
209.15413	100.0
210.14926	33.3
211.13332	16.1
228.15924	52.3
230.09270	24.3
249.66913	13.7
266.94458	14.3
345.20184	39.0
389.17664	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.83139	1.0
55.05510	5.1
56.37566	1.0
56.96553	1.6
57.03436	2.4
57.07038	1.0
61.02923	3.1
67.05505	7.0
69.03426	9.4
69.07062	1.8
69.84564	1.2
69.84906	6.0
70.06564	3.0
71.04982	3.3
72.08144	2.9
73.02925	2.0
75.51998	1.3
79.05489	5.7
81.03410	3.1
81.07059	8.3
83.04984	9.5
84.04501	3.0
84.08138	3.7
85.02907	16.9
85.06528	2.0
86.09705	7.2
91.03934	1.6
91.05470	2.2
93.07056	2.4
95.08598	6.9
96.08126	4.3
97.02905	5.6
97.06526	2.0
97.72207	1.1
98.97595	3.4
99.04469	2.1
101.05997	3.4
102.05540	1.4
105.07028	3.2
106.06542	1.1
107.04966	2.0
107.08597	5.3
109.02880	3.6
109.06544	2.0
109.10158	16.2
110.97555	1.6
111.08088	10.8
115.07603	1.6
116.98616	1.9
117.06992	1.0
119.08562	1.4
121.02844	3.2
121.10128	3.1
123.08055	3.3
124.06680	2.1
124.07594	36.9
125.09647	4.9
127.03886	4.5
129.10243	1.6
130.06458	1.4
131.08539	1.8
132.10246	1.5
133.06496	1.4
133.10121	3.7
135.08046	3.0
135.11729	1.2
137.06012	2.5
137.09628	3.3
140.07016	1.2
142.08646	18.8
147.04420	1.7
147.11734	1.2
149.09657	1.1
149.13222	1.8
163.03949	2.0
163.11163	4.6
163.14821	2.7
173.13293	3.0
177.05498	1.3
179.07207	1.0
179.14273	5.7
191.14369	4.8
194.57961	1.1
198.36299	1.1
209.15358	16.5
227.05927	1.4
227.16409	37.5
228.16835	1.2
237.02762	2.0
241.08072	1.4
259.90427	1.0
371.16675	1.8
389.13837	4.5
389.17856	100.0
390.18246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
50.68507	3.5
53.03921	4.6
57.03419	5.3
61.66171	3.6
67.05493	11.0
68.22990	3.4
69.03430	5.7
69.07054	8.5
69.24825	34.8
70.06580	6.7
71.04982	10.2
79.05482	7.1
81.07045	16.1
84.04506	4.4
85.02897	24.1
85.06533	9.0
86.09717	56.9
87.04409	3.6
91.05473	10.3
93.07025	17.3
95.04974	100.0
95.08610	6.3
97.02888	4.7
97.06486	5.0
98.21456	6.6
98.97572	4.6
99.04452	32.7
99.08092	12.6
105.07049	18.4
107.08577	23.6
109.06534	9.9
109.10154	57.6
115.07579	4.8
115.37372	3.6
116.01698	8.3
119.08582	7.7
121.10173	8.7
123.11713	19.3
127.03912	7.2
131.08583	10.7
133.10127	81.0
135.08047	5.7
138.96030	3.5
145.04982	4.8
149.13269	9.9
151.11217	18.8
153.09113	45.5
153.70509	3.5
162.02167	5.5
164.86362	4.4
167.07094	4.8
169.12254	14.0
171.60233	3.7
173.13295	31.3
191.14326	49.7
194.28880	3.4
209.15367	83.5
211.11879	3.8
227.16370	9.7
227.18550	3.8
389.18341	32.5
390.18503	4.3
404.41422	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	389.217
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
50.67995	1.6
53.40569	1.9
67.05503	1.9
69.03416	4.1
69.62869	10.2
70.06590	2.1
71.04979	2.4
71.19984	1.4
79.05487	3.3
80.51949	1.5
81.03409	2.0
81.07043	3.6
85.02898	4.1
89.69711	1.7
91.05483	6.8
93.03384	2.3
93.07037	6.2
95.04969	3.5
95.08564	3.8
97.02869	2.4
98.97627	2.2
99.04449	6.9
103.05486	3.0
105.07046	3.0
106.04179	2.2
107.04955	3.4
107.08556	2.2
109.06519	2.0
115.33038	1.7
119.08592	1.7
121.02809	1.9
121.06511	3.9
121.10153	6.4
130.04991	1.5
131.04951	2.3
133.10098	5.5
135.11775	2.1
137.06059	1.8
145.06441	2.3
147.04424	2.1
147.56546	1.6
149.06017	3.5
149.09630	100.0
150.09966	2.1
163.03831	2.0
167.07054	4.8
173.13330	1.9
177.05489	2.2
181.04955	5.2
181.08528	1.9
183.13715	1.6
191.14352	10.1
209.08035	2.8
209.15334	9.2
227.16414	5.6
233.08080	1.7
251.11095	1.7
256.72937	1.9
265.08411	1.9
270.77954	1.7
303.14227	4.9
345.15237	36.4
389.14203	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.96574	0.8
67.05493	2.3
69.07068	1.1
71.59518	0.9
79.05486	1.6
81.07053	1.8
88.07613	0.5
90.59322	0.6
91.05465	1.6
93.07050	2.5
95.08620	1.7
105.07034	1.4
107.08572	1.8
109.10176	1.4
119.08578	0.9
121.10187	1.4
123.11752	0.8
131.08601	0.9
133.10155	1.2
145.10239	0.9
149.09660	0.9
153.68872	0.6
160.85379	0.5
166.00409	0.5
180.38141	0.6
182.92625	0.6
389.22974	100.0
390.22922	3.3
390.35800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78117	0.3
54.82480	0.3
55.05507	0.4
56.96553	1.1
67.05495	0.7
69.07062	0.5
69.44379	2.6
73.02912	0.3
73.62682	0.3
79.05495	0.6
81.07050	1.0
83.08625	0.3
91.05481	0.6
93.07043	0.7
94.50948	0.3
95.08601	0.5
97.02825	0.4
105.06996	0.5
107.04946	0.3
107.08605	0.4
108.18881	0.3
109.06538	0.3
117.40740	0.3
119.08591	0.6
121.10147	0.5
131.08591	0.5
133.10135	0.8
147.11748	0.4
216.90683	0.3
229.07367	0.3
267.09167	0.4
269.10568	0.3
285.05331	0.3
330.14725	0.7
348.15817	1.4
389.22980	100.0
390.23462	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
56.96576	3.2
67.05512	3.4
69.07056	1.5
70.98395	1.2
73.29437	0.5
79.05488	1.8
81.03412	0.6
81.07053	2.1
83.04993	0.5
85.02885	0.6
86.09716	0.6
89.50503	0.4
91.05471	1.7
93.07034	1.6
95.04973	0.7
95.08593	1.3
105.07034	1.7
107.08596	1.0
109.06558	0.5
109.10165	0.9
111.99953	0.5
117.07026	0.6
119.08620	1.2
119.69740	0.4
121.00535	0.8
131.08574	0.6
131.92967	0.6
133.10092	1.1
135.11700	0.5
140.07974	0.5
149.02351	2.8
149.03426	0.7
167.99681	0.7
177.00322	0.8
187.71036	0.4
193.05014	1.3
199.06447	0.8
208.02092	0.6
213.08131	0.6
217.02623	0.5
229.07484	3.2
231.09138	0.7
237.07797	0.5
243.09070	0.9
247.08595	2.2
261.10187	0.9
267.09210	0.5
269.75928	0.5
320.09213	1.0
349.16934	2.6
367.17856	1.0
385.09109	0.6
389.23019	100.0
390.23282	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05505	1.6
55.68578	1.0
56.05042	1.0
56.96561	3.8
57.03441	2.3
58.06588	2.2
69.03420	2.9
69.07099	1.3
70.06595	2.7
70.26846	4.2
71.05003	1.2
72.08162	1.7
73.02918	1.6
74.06094	2.0
79.05498	3.0
81.03423	1.3
81.07040	1.1
83.04974	1.3
84.04505	2.5
84.08157	1.5
84.96030	3.7
85.02891	6.0
85.06541	1.3
86.06073	3.1
86.09707	2.7
88.07626	2.7
89.03921	9.1
91.05483	2.6
93.07054	1.1
95.01338	3.0
95.04967	4.2
95.08631	1.9
96.08855	1.1
97.02886	2.3
98.97598	2.6
105.03405	100.0
105.07014	1.6
107.08585	3.2
108.08918	1.7
109.02873	1.3
109.10165	1.7
111.08105	1.5
112.99112	1.9
117.03386	13.9
120.08170	1.2
121.06454	1.2
121.10139	1.6
123.04440	4.9
124.07555	1.2
125.09608	4.0
126.09989	3.3
131.00183	2.4
133.10129	2.2
134.03616	1.7
137.06001	1.3
141.01820	6.8
141.32140	1.1
145.02847	23.4
146.03230	2.5
149.01221	1.2
149.05971	4.6
149.09637	4.8
149.27185	1.0
150.09943	5.4
152.11488	1.2
153.09111	1.0
159.02914	1.2
161.05971	1.7
163.03934	1.9
167.07005	1.5
167.70644	1.1
168.98157	1.9
173.01228	1.8
177.05493	35.6
178.05840	3.3
179.00159	3.1
179.07059	32.0
186.99205	2.6
191.14334	2.1
192.14601	2.6
193.08466	2.0
197.01192	6.5
197.08112	27.0
209.15401	5.0
210.15825	9.4
211.15271	1.5
215.02338	2.8
224.95995	1.1
305.03180	1.4
312.48059	1.3
323.04465	4.8
347.04367	1.6
354.26633	1.7
372.23489	1.6
390.11432	2.0
390.17682	1.4
391.09564	1.2
393.05069	1.8
411.06033	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	390.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01873	0.5
55.05519	0.5
56.05033	0.7
56.96566	0.6
57.03439	1.1
58.06598	0.5
67.05504	0.5
68.05032	0.6
69.03436	3.7
69.07074	0.9
70.06589	1.6
70.72591	0.5
70.72935	0.7
71.05003	0.4
73.02911	0.7
74.06083	0.5
79.05499	7.8
80.05017	1.1
81.03425	2.8
81.05807	4.4
81.07061	9.1
82.02951	0.9
82.06599	0.6
83.03713	0.4
84.04517	2.8
84.08160	1.0
85.02911	4.7
86.06075	1.4
86.09705	2.0
87.00843	2.1
91.03969	0.4
91.05499	0.5
94.06566	1.1
95.04956	0.5
96.04498	2.7
96.08131	10.9
97.02901	1.9
98.97609	1.0
99.04482	0.7
101.59569	0.4
102.05538	0.6
105.01876	0.7
106.06598	0.7
107.04957	0.9
109.02900	2.5
109.05309	0.5
110.06028	0.3
112.07610	2.3
117.03387	0.7
121.02877	1.9
122.05983	0.6
124.07597	100.0
125.05949	0.4
125.07880	0.7
127.03909	3.0
128.98622	0.3
129.01851	0.5
129.10258	0.4
132.10219	1.0
134.99800	0.4
136.07529	0.3
137.05968	0.4
138.09138	0.5
140.07047	0.8
142.08641	47.5
143.09059	0.4
145.02829	0.8
145.04948	1.0
159.02969	0.6
159.45329	0.4
163.03938	1.0
165.05408	0.4
166.08537	0.5
177.05479	0.9
192.10164	0.6
210.11211	0.4
213.08679	0.4
225.08296	0.4
228.12273	1.2
231.05011	0.4
237.02803	0.4
242.92905	0.5
336.21536	0.4
342.35812	0.5
353.07797	0.4
390.13834	1.8
390.18088	7.4
391.09927	0.4
391.15146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91734	0.5
53.03941	1.7
55.05506	2.4
56.96574	1.5
57.03437	1.7
57.13982	0.9
57.90377	0.6
61.02914	0.7
63.08370	0.6
67.05498	1.4
69.03430	4.4
69.07063	0.6
69.67174	0.9
69.67590	2.8
70.06593	1.7
73.02926	1.1
73.72917	0.5
74.06084	0.6
77.03931	0.5
79.05498	7.0
80.05016	1.7
81.03436	3.5
81.05795	3.8
81.07069	9.5
82.02949	1.0
82.06564	0.6
83.05000	1.6
84.04514	4.7
84.08151	1.2
85.02911	6.8
86.06088	1.5
86.09711	4.1
87.00832	1.6
88.04008	0.6
91.05479	1.1
93.07051	0.8
94.06551	1.4
95.04964	1.1
95.08634	0.8
96.04498	2.9
96.08137	10.3
97.02898	2.6
98.21551	1.0
98.97589	2.8
99.04438	0.7
99.08108	0.7
102.05553	1.9
105.01897	0.7
105.07020	0.7
106.06575	1.7
106.07310	0.7
107.04967	2.1
109.02898	2.9
109.10207	1.2
111.08106	1.3
112.07604	2.0
116.98651	0.9
117.03391	1.3
121.02893	2.3
122.06055	0.9
124.07604	100.0
125.07944	1.0
127.03936	4.4
128.98570	0.7
132.10194	3.1
135.08102	0.6
137.09663	0.8
140.07094	0.8
142.08650	47.8
145.02849	0.8
145.05032	0.8
147.02942	0.6
147.04390	0.8
154.08702	1.0
159.02917	0.9
163.03923	2.6
174.13594	0.6
177.05544	1.5
180.14618	0.7
206.59293	0.6
210.11420	0.8
210.15755	1.8
219.01942	0.9
227.16553	1.0
228.12326	1.9
228.16743	3.1
237.02985	0.9
241.08174	1.3
254.07672	0.6
264.45450	0.6
288.85577	0.7
338.37967	0.7
390.14084	1.7
390.18307	7.7
391.10205	1.1
391.14984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	50.9
57.07061	6.8
58.51265	1.7
70.06599	13.4
70.72270	4.8
70.72627	2.8
71.08614	3.4
71.95268	8.2
84.08125	1.9
88.07642	11.0
95.04997	1.9
95.13045	1.7
97.96846	2.3
98.97566	4.1
102.09156	2.8
110.97561	4.4
114.09159	7.9
128.98602	6.4
132.10214	30.1
137.02753	2.6
139.00671	2.2
141.02226	2.9
151.00739	3.0
153.02251	5.4
167.03896	3.5
169.01727	2.1
171.03278	7.9
176.12840	3.5
183.03314	1.7
185.04816	11.3
189.04381	5.8
194.13889	5.4
197.04764	3.2
199.06445	12.2
203.05922	4.6
209.08597	2.0
211.06439	2.9
213.08090	12.1
217.07465	10.3
219.06786	1.9
221.08516	2.3
225.07970	7.9
227.09605	5.8
231.06947	3.4
231.09079	8.2
237.08026	5.6
239.09544	6.7
243.09029	3.7
245.10641	4.3
249.07957	6.1
251.09540	13.0
254.10638	1.9
255.09047	30.6
255.11565	3.3
257.10507	2.7
267.09033	41.0
269.10605	67.7
273.10110	17.0
284.29514	6.4
285.10126	48.0
285.13278	2.4
286.10526	2.0
287.11655	14.7
290.10693	3.1
292.12170	5.0
303.11292	3.9
304.74106	1.9
308.11823	3.5
331.15881	17.2
349.12848	3.4
349.16876	43.6
350.11127	2.0
367.17957	55.8
385.19159	2.3
390.19449	3.8
390.23465	38.6
390.35776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.9
56.96284	1.5
56.96569	30.7
57.03426	0.9
62.14890	0.8
67.05495	1.6
69.07069	1.6
71.60980	1.1
71.61379	1.1
71.95277	4.7
72.96041	0.9
74.97622	0.8
76.70387	0.8
79.05039	0.7
79.05491	6.0
80.96306	0.8
81.07061	1.7
84.96048	2.0
91.05493	2.4
91.08059	0.9
93.07061	1.1
95.04936	1.0
95.08618	1.3
96.23499	1.0
97.96841	1.9
98.97607	3.3
103.00719	1.3
105.07043	1.9
107.08607	1.7
110.97581	5.9
115.00786	0.9
115.97845	1.5
116.98600	1.9
119.08596	0.9
123.01209	1.2
128.98610	7.5
129.02266	1.2
133.01706	1.5
137.02733	1.9
143.00171	1.4
146.99643	4.8
153.02258	1.9
155.03848	1.9
157.01782	1.1
161.01297	1.3
168.92511	1.0
169.01749	1.4
169.05397	1.3
170.56769	1.0
171.03297	3.8
173.04916	2.7
181.05374	1.0
185.04877	3.9
189.04390	2.7
199.06436	6.8
201.08014	1.9
203.05896	4.6
205.07494	3.3
207.03291	0.8
209.04767	1.0
213.08051	3.8
217.07448	6.7
223.02742	5.3
223.08574	1.6
225.04295	1.8
225.08041	3.9
227.05815	2.3
229.07561	1.3
231.09116	3.2
237.04314	2.2
237.08022	1.6
239.09494	1.5
243.09068	11.7
251.09534	1.4
253.11009	1.6
255.09018	4.5
261.10172	4.8
268.09796	1.0
269.10437	1.9
271.12286	1.1
273.10202	2.5
279.09119	5.2
280.09845	5.6
281.10587	1.0
297.10117	2.2
313.14844	1.1
331.15808	63.6
332.16183	1.2
349.16882	100.0
350.17334	3.3
367.17914	34.0
372.18442	10.4
390.19540	6.3
390.27078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.96570	11.8
57.07086	6.2
58.06584	2.0
67.05495	1.4
69.07047	1.2
69.81048	4.2
70.06238	1.3
70.06594	18.3
71.08633	2.4
71.95259	2.6
72.08141	2.5
79.05459	1.3
81.07024	1.1
83.16457	0.7
84.08133	2.0
84.96028	1.1
86.09707	3.7
88.07642	6.3
93.07012	1.5
97.42265	0.9
102.09176	2.9
110.97575	7.4
124.99168	1.1
128.98627	4.8
129.99409	1.5
131.00119	0.9
132.10216	10.0
143.00169	1.8
146.11777	9.6
146.99632	1.4
148.00449	1.7
160.00456	1.7
161.98399	1.2
171.03293	1.9
183.03271	1.7
185.04863	1.4
189.04326	1.6
197.01274	2.4
197.04881	1.1
199.06422	3.5
202.05147	0.8
203.05971	1.3
210.05798	0.8
213.07938	1.8
215.02298	3.0
217.07457	3.4
221.04951	1.1
225.07990	1.2
227.05945	1.2
227.09535	0.9
229.07458	2.4
231.09042	1.8
239.05927	3.3
240.06757	0.8
240.26874	1.5
247.08549	1.7
251.09853	0.8
257.06934	6.9
258.07806	8.0
259.08405	1.4
266.28445	1.8
272.05731	1.2
275.07996	1.8
276.08795	2.2
284.29520	12.5
307.15866	1.3
328.32126	37.1
331.15823	12.2
349.16882	67.9
350.17575	2.1
367.17966	25.1
372.34863	1.2
390.19476	6.0
390.35794	100.0
391.24606	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
55.85915	1.0
56.17116	1.0
56.96575	2.3
61.01130	1.0
69.03427	1.8
69.52035	1.8
69.52445	6.7
70.06599	5.5
71.04958	1.4
74.06068	2.2
79.05502	1.4
81.03423	1.5
81.07077	1.4
83.06093	1.6
84.04501	4.4
84.08147	5.3
85.02911	4.9
85.72881	1.1
86.06083	1.4
86.09715	2.8
89.03931	5.5
91.05488	2.2
95.04939	1.8
98.20689	1.3
98.97589	3.8
99.04420	1.6
103.05518	1.5
104.05296	1.3
105.07018	2.0
105.14809	1.2
107.05003	1.2
107.08591	2.3
109.02818	1.8
117.03371	17.3
124.07581	1.9
125.09594	2.1
127.03922	2.5
129.06641	1.3
129.10222	1.5
130.26990	1.3
132.04460	1.8
135.04382	1.1
137.06009	1.6
143.10684	2.3
145.02850	38.8
146.05927	1.1
149.02357	10.7
149.05991	5.8
163.03932	2.8
172.23383	1.2
177.05467	61.7
177.18259	1.2
178.05907	1.3
179.03133	1.2
197.04230	14.5
199.03665	29.4
215.05261	27.2
229.07455	1.6
244.10834	1.9
259.11438	1.5
341.67993	1.3
345.09290	1.7
373.08810	9.4
391.10010	76.3
391.15714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1578
Annotation	Chidamide
Peak:m/z	Relative Intensity
56.05026	0.5
67.78053	0.4
69.03434	1.0
70.06590	2.4
70.86902	1.2
72.08149	0.6
74.06071	0.9
78.11786	0.5
81.07071	0.6
83.06082	0.6
84.04502	1.4
84.08162	2.0
85.02895	1.4
86.06070	0.5
86.09734	0.6
89.03928	0.6
98.97587	1.0
99.11303	0.4
107.04899	0.4
110.07178	0.4
117.03406	1.3
118.06894	0.5
120.08096	0.5
120.25810	0.4
124.07643	0.5
125.09605	0.6
130.08650	0.6
135.04356	0.6
136.21204	0.4
137.06018	0.4
139.03879	0.4
143.10725	0.5
145.02852	4.2
145.04958	0.5
149.02303	2.5
149.05951	0.6
150.05870	0.5
150.25583	0.5
163.03903	1.4
166.40216	0.4
177.05496	4.8
197.04227	1.4
199.03612	2.5
215.05293	2.7
225.22005	0.4
259.11563	1.4
338.70074	0.5
356.24142	0.5
364.10986	0.5
373.08746	0.7
391.10245	8.5
391.15714	100.0
392.16177	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	391.1579
Annotation	Chidamide
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	0.6
55.05516	0.5
56.96563	0.9
67.05509	0.7
69.03423	1.6
69.07063	0.7
69.38640	4.0
70.06578	3.7
70.31653	0.5
71.04984	0.9
72.04482	0.6
72.08146	0.6
73.02907	0.8
74.06068	1.4
79.05488	0.8
81.03399	1.5
81.07052	1.5
84.04505	1.3
84.08130	0.8
85.02930	2.7
85.03360	0.5
85.06542	0.6
86.06081	0.7
86.09720	2.6
91.05445	0.7
93.07028	1.2
95.04956	1.2
95.08567	0.6
97.02898	0.9
98.63332	0.6
98.97587	1.9
99.04469	0.9
99.78613	0.5
103.49966	0.5
105.01862	0.5
105.07023	0.9
107.08598	2.0
110.07178	1.0
110.97584	0.7
111.04459	0.7
116.98666	0.6
117.03399	1.4
120.08091	1.2
121.06374	0.5
124.07590	1.1
125.07996	0.6
125.09628	2.2
127.03898	1.4
131.01959	0.7
137.06007	1.3
143.10693	2.3
145.02869	1.9
146.06184	0.6
149.02306	4.0
149.05983	0.7
155.01901	0.9
161.06029	1.3
163.03867	0.8
173.02977	0.8
177.00757	0.7
177.05447	2.8
185.13612	0.5
199.03693	2.4
207.06393	0.5
215.05342	1.1
228.12242	0.8
229.12668	1.2
259.11615	0.7
323.10388	0.6
331.12238	0.6
353.96585	0.6
382.74731	0.6
391.15704	100.0
392.16061	2.2
408.12564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2329
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.05522	20.0
55.11039	3.9
56.05043	4.0
56.96572	3.9
57.07078	11.2
60.04512	3.9
61.02909	4.3
65.03933	4.2
67.05515	27.4
69.03420	13.7
69.07060	10.6
70.06582	13.2
71.04990	7.8
71.08630	6.7
71.59875	4.9
71.60281	4.9
72.08146	15.8
74.06081	8.8
79.05489	12.5
81.03428	9.3
81.07059	38.2
82.06591	6.0
83.04992	14.4
83.08633	5.4
84.04499	18.4
84.08151	10.5
85.02891	13.8
85.06548	26.0
86.06065	7.7
86.09708	14.7
88.07638	22.2
89.07955	6.3
91.05483	34.3
93.07051	37.9
95.04970	15.8
95.08617	51.2
97.02866	5.5
97.06530	11.7
98.97591	9.1
99.04439	7.0
99.08106	11.8
103.05477	4.1
103.93962	4.3
105.07046	32.4
107.04954	5.2
107.08602	61.2
109.06539	8.8
109.10182	27.4
110.97551	4.2
111.08064	8.1
116.98641	6.0
119.08587	53.6
120.08052	7.8
121.02917	5.2
121.10135	17.1
123.08073	8.1
123.11736	9.7
125.09644	9.9
127.03913	8.1
130.04997	4.4
130.06549	5.7
131.08586	5.5
133.10130	43.3
135.11694	36.9
137.09602	14.9
145.04898	5.3
146.06013	13.1
147.11705	10.0
149.02377	42.1
149.13261	8.0
155.10678	100.0
156.06583	5.0
157.10097	5.0
158.99619	4.7
159.11316	10.1
163.14844	63.8
175.14833	50.9
177.05476	7.9
181.15868	9.3
184.06050	5.9
188.07068	12.1
193.15877	49.9
199.16960	16.6
205.09737	8.0
211.16914	55.2
229.18019	80.6
257.09338	5.9
391.14661	8.0
391.19461	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02797	0.5
52.06312	0.5
53.19486	0.6
56.96553	0.6
67.05498	0.8
69.07034	0.7
91.05441	0.7
101.76427	0.5
104.42287	0.6
109.10222	0.7
148.22572	0.6
149.02367	2.2
163.89355	0.7
165.73900	0.5
212.30951	0.6
268.80893	0.6
321.16855	1.0
329.32458	0.7
350.17084	0.9
351.18539	1.1
369.19672	0.7
386.52808	0.6
391.24573	100.0
392.24979	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89274	0.5
56.04284	0.5
56.96559	1.5
59.73961	0.5
63.32355	0.6
65.52341	0.5
70.06581	1.8
70.51378	0.5
70.98753	0.7
70.99104	1.7
81.07070	1.0
86.09723	0.6
88.07625	1.1
88.85486	0.5
102.76801	0.6
107.49232	0.5
123.11664	0.6
127.12130	0.5
132.10167	0.9
146.11803	0.6
149.02330	1.7
215.68872	0.6
283.61829	0.6
285.29755	1.2
321.16769	1.6
328.31955	0.7
329.32416	4.3
350.17188	2.4
351.18356	1.4
368.18298	2.1
369.19809	0.6
390.36148	0.7
391.24564	100.0
391.35812	14.0
392.24872	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08381	0.4
56.96569	0.5
57.65021	0.4
58.32855	0.4
63.35784	0.5
67.05497	0.7
69.76254	1.0
69.76678	2.0
81.07028	0.7
91.52490	0.4
93.07059	0.6
95.04940	0.4
95.08593	0.6
98.21464	0.9
105.07031	0.8
109.10197	0.8
147.11659	0.5
149.02333	2.2
204.99498	0.5
238.75012	0.4
351.18277	0.7
369.19547	1.3
391.24557	100.0
392.24692	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.1
67.05504	0.6
71.29625	0.7
79.05476	0.6
81.07044	0.7
95.08602	0.4
119.08581	0.4
121.10174	0.3
140.98080	0.4
145.09879	0.4
149.02333	1.4
179.76472	0.3
217.07626	0.5
350.17139	1.1
351.18527	0.4
368.18240	1.3
369.19513	0.5
391.24548	100.0
392.24762	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96560	1.0
57.07055	0.6
58.54527	0.5
64.57561	0.4
67.05501	1.5
69.06530	0.4
69.07051	1.1
69.87427	0.8
69.87823	1.8
71.08621	0.6
79.05485	1.8
81.07059	2.2
90.74602	0.5
91.05478	1.6
93.07033	1.1
95.04975	0.8
95.08581	1.5
103.49947	0.5
105.07021	1.9
107.08588	1.2
109.06522	0.5
109.10135	0.6
119.08570	1.3
121.10169	0.6
123.11689	0.6
129.07109	0.5
131.08594	0.8
133.10121	1.1
143.08470	0.5
145.10117	1.2
147.11661	0.5
149.02351	5.4
157.10077	0.6
159.11662	0.5
161.13229	0.5
163.11212	0.4
168.09099	0.4
173.13228	0.5
220.73720	0.4
331.15976	2.5
349.16983	1.8
373.27219	0.7
391.24539	100.0
392.25037	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43363	1.3
55.05491	3.5
56.96545	1.6
57.07059	3.7
58.60516	1.3
67.05475	5.2
69.07055	3.1
69.74397	6.4
71.08601	1.2
79.05490	7.7
81.07067	13.1
83.04953	1.3
85.06522	1.5
91.05490	10.4
93.07051	11.4
95.04977	13.6
95.08614	7.1
97.06505	1.8
98.20732	2.3
105.07040	18.3
107.08590	8.6
109.06507	2.8
109.10113	3.8
115.05466	2.0
117.06993	6.1
119.07929	1.2
119.08588	15.5
121.02838	1.3
121.06454	3.3
121.10155	6.9
123.08060	1.7
123.11684	2.5
128.06184	3.8
129.06967	3.3
130.07764	2.1
131.08525	5.5
133.10075	4.9
142.07719	3.7
143.08551	6.5
144.09363	2.0
145.10133	11.1
147.08008	2.8
147.11658	3.0
149.02365	10.4
155.08481	4.7
156.09264	4.0
157.10139	9.8
159.07964	1.7
159.11613	4.9
161.09567	2.7
167.08527	2.1
168.09267	2.3
169.10054	6.2
171.11638	5.7
173.13155	4.2
175.11192	1.5
179.08514	4.1
181.10069	3.8
182.10818	1.8
183.11639	5.4
185.13200	2.1
187.14923	1.6
193.10074	3.3
194.10924	2.9
195.11565	5.0
197.13147	4.9
201.12595	1.3
206.10814	2.5
207.11627	4.1
208.12224	1.3
209.08002	2.7
209.13173	5.1
211.14664	3.6
213.12700	1.9
219.11584	2.6
220.12384	1.7
221.13153	3.6
223.14751	4.5
231.11639	1.5
232.12241	1.5
233.13139	2.8
233.15239	2.0
235.14743	3.1
245.13080	1.6
249.16243	2.9
251.17943	1.6
260.15552	1.4
261.16266	2.0
263.17767	1.9
267.17352	2.0
275.17822	1.7
282.19769	1.9
297.18353	1.8
303.20773	1.5
314.20303	1.4
363.26752	1.9
373.24997	2.3
391.24518	100.0
392.25061	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	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.96556	2.4
57.03421	0.7
57.75195	0.7
58.06580	0.6
58.30193	0.6
61.02924	1.4
62.37148	0.7
67.05495	1.6
69.03449	3.5
69.07038	1.0
69.72575	4.5
70.06579	2.6
70.09299	0.7
71.04952	1.3
72.08147	1.0
73.02904	0.9
74.06053	2.5
79.05486	1.7
81.03409	2.2
81.07046	1.6
82.06573	1.4
84.04505	1.1
84.08141	1.1
85.02910	9.0
85.06561	0.8
86.09681	1.0
87.04476	1.0
89.03908	1.0
91.05462	1.3
93.07053	1.4
94.06559	4.1
95.04955	2.2
95.08623	0.9
96.08097	1.2
97.02876	2.8
98.04449	0.7
98.20915	1.6
98.97585	3.4
99.04443	1.3
101.50365	0.7
105.03394	0.8
105.06983	0.8
106.06550	0.9
107.04969	1.5
108.08090	1.3
109.02866	1.2
109.06529	1.5
110.06083	4.5
111.08088	1.0
112.07602	1.3
113.06006	1.8
116.98575	1.8
120.08121	1.3
121.06523	1.0
122.06028	9.3
122.09657	1.4
124.07590	4.3
127.03890	1.8
131.08568	1.3
134.09665	1.8
135.08052	1.6
136.07585	2.6
136.11169	0.9
138.09129	3.4
139.07570	2.1
140.07068	16.0
142.08614	1.5
145.02838	1.8
145.04990	1.0
147.04395	1.0
148.11205	3.6
149.02356	2.1
149.09612	2.1
150.09145	1.1
152.07056	1.0
154.08629	18.3
156.10069	0.8
159.47949	0.7
163.03922	3.7
166.12312	5.0
167.06963	1.2
167.10660	1.7
168.10164	1.0
176.10789	3.9
177.05493	1.6
194.11798	10.2
195.10139	0.8
208.80690	0.8
212.12830	8.1
219.01744	2.0
230.13879	100.0
231.14244	2.4
237.00703	1.7
237.02820	1.6
263.91660	0.8
392.11093	1.0
392.20239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.96569	24.1
57.36438	0.6
58.36819	0.6
67.05479	1.4
69.07058	0.8
69.26497	7.1
71.04946	0.8
71.95267	2.5
72.96024	1.2
74.97615	0.9
79.05486	0.7
81.07045	1.5
84.96029	1.0
86.17971	0.6
93.07041	0.9
95.08546	0.9
98.21604	1.2
98.97565	1.6
105.00133	1.1
105.06995	1.2
107.08575	1.4
110.97591	1.5
115.00687	1.9
128.98602	2.3
133.01758	0.9
141.02286	0.7
146.38087	0.8
146.99554	0.8
147.03314	0.9
149.02353	1.2
150.02669	0.8
155.03798	1.5
157.01753	0.9
159.03304	1.0
161.04820	0.9
165.02219	1.0
171.03265	1.1
173.04858	1.0
175.06184	0.7
181.01695	0.8
181.05513	1.1
183.06973	1.2
185.04865	2.8
185.08507	0.9
189.04269	2.1
189.08005	1.9
195.06857	1.1
199.06419	4.6
201.08073	2.0
203.05907	1.9
203.09654	1.6
205.07549	0.8
209.00746	0.7
209.08423	1.0
211.06416	1.2
213.07959	3.9
215.09615	1.6
217.07420	4.8
225.07983	2.1
227.09529	2.1
231.09068	3.1
237.08044	1.0
241.07574	0.9
241.11147	1.0
243.09140	1.6
253.11163	1.7
255.09087	1.9
257.10587	1.1
269.10547	2.2
271.12219	1.1
281.10565	1.8
287.11609	0.8
295.12360	0.9
309.17294	1.6
325.20294	1.1
333.14133	0.6
333.17358	35.5
351.18427	100.0
352.18796	3.1
369.19504	70.2
370.19934	2.2
374.20032	9.7
383.21500	1.0
387.20517	0.9
392.20813	9.1
392.25397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	54.7
67.05501	4.4
69.07079	2.0
71.59654	2.3
71.95253	5.8
72.96047	2.2
79.05494	2.3
81.07059	4.3
86.09695	2.7
95.08596	2.5
96.52093	2.0
98.46751	2.0
98.97572	3.8
109.10171	2.6
110.97583	4.2
123.01219	2.5
128.98647	4.0
133.10170	2.2
139.00717	1.9
155.03853	3.3
169.01765	2.3
169.05379	2.8
170.55836	2.3
171.03247	3.3
173.04800	3.0
181.05402	3.1
185.04922	4.3
195.06969	2.6
199.06407	19.9
201.07976	5.8
203.05919	3.0
211.06372	13.7
213.07983	33.3
215.05841	1.8
217.07503	13.4
219.09027	4.3
225.07895	4.4
229.07484	100.0
231.09035	34.6
236.09514	3.0
243.09065	17.0
247.08534	56.0
251.09518	4.5
252.08978	11.2
254.10788	3.7
255.09064	5.7
261.10101	7.1
267.09000	6.2
269.10651	16.7
285.10080	8.9
287.11633	5.4
292.12161	2.5
321.17462	2.3
333.17374	14.3
351.18451	58.4
369.19519	94.8
374.19986	5.1
387.20547	4.4
392.21024	12.0
392.25235	5.3
392.31500	4.1
392.36176	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	392.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	49.9
57.96645	1.7
62.99612	1.9
67.05500	4.6
70.06622	2.1
71.59389	2.3
71.59774	2.8
71.95260	7.7
72.96026	2.7
79.05467	3.7
81.07057	3.7
107.08584	2.5
109.10195	2.6
110.97585	3.5
123.01212	1.9
128.98579	5.7
141.02425	1.7
149.02316	4.6
150.02673	2.5
155.03818	2.9
171.03354	2.4
173.04799	4.0
183.06946	3.0
185.04848	3.4
187.06416	2.3
195.06963	3.7
199.06398	20.5
201.04230	2.1
201.08031	7.8
203.05869	4.8
210.54614	1.8
211.06383	9.2
213.07947	26.0
213.91217	1.9
217.07492	18.8
222.08006	2.4
227.09451	2.3
229.07491	89.5
231.09041	33.5
236.09540	2.1
237.07886	2.3
241.07288	2.1
243.09024	14.8
245.10522	2.1
247.06015	2.9
247.08528	49.2
252.09117	11.9
255.08986	7.2
258.07712	2.7
259.08585	2.3
261.10104	8.3
266.10757	3.5
267.09000	2.6
273.10199	3.4
323.18948	3.5
328.31952	2.1
333.17343	18.8
351.18414	83.2
352.18851	3.2
369.19519	100.0
370.19958	2.5
374.20010	4.1
387.20551	4.6
392.20126	10.1
392.25235	21.2
392.36362	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79577	38.9
70.32166	94.4
70.32558	80.2
93.29139	37.7
96.86956	37.7
107.75909	39.8
146.92892	44.7
200.52126	38.7
338.42731	45.4
393.05786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30147	0.7
53.87803	0.7
55.98890	0.7
57.07701	0.6
60.67476	0.6
67.05482	1.1
69.03426	1.8
69.34473	2.8
69.34900	3.3
79.05518	1.1
81.03414	1.3
81.07034	1.1
85.02888	1.3
86.09714	1.6
86.12415	0.7
91.05473	1.0
98.20644	1.2
99.04427	0.7
105.07020	1.6
108.75092	0.7
109.02869	1.3
109.06622	0.7
117.07083	0.7
119.04884	0.6
119.08605	0.9
127.03882	2.0
131.08595	0.9
143.54597	0.7
145.12280	0.7
157.10156	0.7
163.86728	0.6
170.96997	0.7
199.17891	0.8
227.05309	0.8
243.08948	1.0
267.75095	0.6
271.04419	1.5
307.11520	4.0
317.60422	0.7
331.11578	0.9
333.21143	0.9
349.12585	34.5
392.12222	0.6
393.11581	100.0
393.24625	2.5
394.11758	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14693	0.8
55.05503	1.7
57.02270	0.8
57.07075	1.0
62.93905	0.8
67.05502	2.8
69.07056	1.8
70.48258	2.9
79.05479	1.9
81.07052	2.8
83.08627	1.3
91.05474	2.0
93.07040	3.0
94.15270	0.7
95.04929	0.7
95.08617	4.2
98.21397	1.2
105.07027	2.2
107.08582	1.8
109.10155	2.0
119.08594	1.8
121.10155	1.8
123.11701	0.7
131.08545	0.7
133.10143	1.4
135.11743	1.0
143.08566	1.0
147.11763	0.8
159.11566	0.8
169.10083	0.8
171.11606	1.2
185.13222	0.8
187.14827	0.8
199.14828	1.0
215.58365	0.9
290.67084	0.9
393.26135	100.0
394.26538	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22673	0.6
56.96555	2.4
58.41821	0.6
58.69165	0.6
59.11655	0.6
61.77676	0.6
67.05518	0.9
69.07069	0.7
69.99248	1.6
69.99655	2.1
78.80750	0.6
91.05486	1.1
93.07053	1.2
95.04966	1.3
95.08624	2.0
104.12920	0.6
105.07022	0.9
107.08580	1.5
110.97591	2.3
117.13866	0.6
119.08601	1.4
121.10184	1.1
131.08626	0.8
133.10109	0.9
143.00098	0.9
145.10089	1.0
213.12758	0.7
213.36172	0.7
215.02194	1.0
247.76260	0.7
248.08588	0.6
257.07019	1.1
258.07574	2.1
259.08182	2.0
334.17676	2.6
351.18396	0.9
352.18768	7.8
369.19498	1.4
370.19852	14.0
375.25208	0.8
388.20911	1.1
393.26114	100.0
394.26569	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16546	0.4
56.96554	0.4
57.07077	2.8
58.07399	0.5
67.05516	0.6
69.07060	0.5
70.33276	0.5
70.33603	1.0
73.62017	0.4
79.05484	0.7
81.07043	0.9
81.11952	0.4
85.06583	0.4
87.67002	0.4
93.07059	0.7
95.04965	0.8
95.08604	1.4
95.38128	0.5
105.07047	0.7
107.08588	0.7
111.91285	0.4
119.08581	0.7
121.10188	0.6
123.11694	0.6
125.49502	0.4
133.10100	0.7
145.10139	1.0
155.35364	0.4
171.69794	0.5
308.19934	0.6
309.19995	0.9
375.24835	1.2
393.26126	100.0
394.26453	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27325	3.5
53.03941	7.6
55.05512	21.1
57.07074	16.9
59.04992	3.9
65.03945	3.9
67.05508	41.7
69.07072	27.5
69.29581	23.0
69.29990	11.0
71.04981	7.2
71.08627	10.3
79.05497	39.5
81.06626	6.8
81.07057	74.1
83.04980	6.0
83.08607	12.4
85.06529	6.6
91.05486	55.3
93.07053	89.7
95.04969	54.9
95.08612	72.2
97.06533	13.4
98.98508	6.4
103.05458	7.9
105.06357	7.7
105.07037	97.3
107.07922	6.8
107.08590	54.5
109.06504	21.1
109.10143	30.0
113.00014	50.5
115.05430	5.0
117.07021	26.1
119.08587	100.0
121.06537	17.6
121.10164	35.3
123.08083	9.0
123.11740	12.4
125.05373	3.9
128.06247	9.4
129.07018	16.8
130.07796	7.1
131.08571	39.9
133.10133	54.0
135.08066	9.2
135.11690	20.3
141.06963	7.9
142.07803	19.0
143.08583	37.8
144.09343	6.7
145.10121	72.0
146.07233	4.1
147.11690	27.5
149.09666	5.3
155.01024	13.0
155.08539	19.3
156.09357	16.8
157.10138	55.2
158.10876	5.3
159.11687	47.1
161.09674	12.9
161.13249	7.6
163.11154	4.5
167.08585	5.4
169.02625	44.7
169.10202	21.7
170.10968	5.7
171.11723	28.1
172.12550	7.9
173.09616	5.0
173.13309	18.9
175.11217	13.0
175.14850	14.6
178.07849	3.8
179.08490	7.5
181.10161	10.4
182.10876	5.4
183.11685	19.1
185.13283	10.9
187.11095	3.7
187.14861	10.9
193.10127	5.1
195.11752	10.7
197.13297	16.9
199.14842	13.2
201.16441	8.9
207.11673	4.8
209.13368	17.2
211.14922	5.0
213.16359	4.0
221.13380	5.9
223.14864	7.0
225.16374	5.3
233.13251	4.6
235.14844	5.2
251.17897	4.0
253.16028	4.3
304.26212	6.8
375.26892	4.7
393.27780	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	393.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.01885	11.3
55.05495	3.3
57.03426	4.2
57.07079	17.2
67.05501	2.5
69.07049	4.6
71.08629	17.2
71.59241	2.0
81.03430	11.4
81.07057	2.8
81.07808	1.2
83.08633	3.4
85.10185	11.3
88.06328	1.3
93.07051	1.4
95.08606	2.7
97.10178	2.1
99.04411	2.2
107.08591	2.2
109.02882	30.9
109.10159	2.2
111.40152	1.2
115.03952	7.7
115.04630	1.3
123.04427	1.9
123.79057	1.2
127.03925	100.0
129.84024	1.3
141.05466	5.5
155.07062	1.6
169.08617	4.9
183.10161	5.4
195.12244	1.8
197.11763	6.5
211.13326	3.7
225.14946	5.1
239.16443	7.8
253.18056	8.1
267.19559	5.7
281.21024	4.3
295.22656	5.5
309.24115	2.8
323.25742	4.7
337.27295	6.1
393.33746	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	393.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	44.7
57.07082	24.6
59.05849	3.2
66.63163	2.8
67.05494	12.5
69.07072	35.4
71.08624	7.3
71.60984	3.1
79.05484	13.1
81.07063	65.5
83.08128	5.4
83.08625	100.0
85.10175	4.4
91.05473	10.8
92.94701	2.9
93.07043	13.1
93.95349	2.6
95.08612	22.5
97.10177	13.6
98.44987	2.7
105.07037	20.8
107.08607	25.0
109.10170	13.3
117.07004	5.7
119.08595	10.6
121.10162	10.3
123.11716	5.7
129.07050	5.0
131.08556	9.6
133.10138	17.0
135.11700	6.1
142.07835	3.4
143.08553	8.7
145.10123	21.5
147.11693	10.9
149.13226	7.5
155.08514	3.9
155.32861	2.9
157.10085	23.4
159.11739	15.1
161.13252	6.5
163.14790	4.4
169.10071	4.7
171.11684	3.9
173.13271	5.9
182.10995	4.5
183.11601	4.5
185.13272	11.7
187.14853	5.2
197.13277	5.6
199.14748	7.2
201.16455	3.8
211.14915	5.6
213.16412	4.6
215.17912	4.5
225.16545	5.6
239.18008	7.0
253.19557	11.0
295.24246	14.7
299.27310	3.4
309.25732	12.3
393.35150	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68391	4.8
55.05505	8.6
57.07081	99.4
67.05499	14.0
69.07059	8.3
71.08639	87.5
71.60065	6.7
79.05489	5.4
81.07047	16.0
83.08617	12.2
85.10186	46.8
89.05542	8.1
89.06039	100.0
93.07029	8.0
95.08598	14.7
97.10184	8.3
98.98450	22.9
99.11753	7.3
105.07037	5.7
107.07109	5.4
107.08643	5.7
109.10167	6.1
113.13237	7.4
119.08611	6.6
121.10071	5.7
133.08601	43.7
138.67668	6.0
151.09593	7.2
155.01074	27.4
169.02608	8.3
177.11226	13.5
195.12283	76.2
370.24924	5.4
377.32635	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33332	3.0
55.05509	6.8
56.77410	3.2
56.96563	11.4
66.19810	3.9
67.05503	4.4
69.03430	7.9
69.14402	4.1
69.92722	15.8
70.06611	5.0
72.08134	3.9
72.20613	3.2
74.06081	22.6
79.05484	8.1
81.03409	5.3
81.07043	11.7
84.96056	6.5
85.02925	3.4
85.06541	4.4
88.04018	3.6
88.07635	9.9
91.05488	20.9
93.07053	9.1
95.08595	5.4
97.02889	3.7
97.06542	4.1
97.96790	5.5
98.97585	55.0
105.07032	6.5
107.08588	3.9
109.10196	3.7
110.97592	16.6
116.98620	12.6
119.08587	4.0
121.10197	4.4
124.99204	4.2
127.03926	4.9
128.98598	10.3
134.99649	4.4
140.98605	5.3
143.00175	7.7
146.99579	4.4
152.98622	6.3
158.99658	18.0
160.09019	3.5
161.01286	4.2
165.02031	3.7
170.99699	8.4
173.01164	3.9
177.00716	7.5
189.00623	3.7
189.02261	4.7
201.00801	5.1
203.07219	3.9
207.03334	14.5
215.14349	4.5
219.01779	25.5
225.04347	5.2
228.06602	4.2
233.15271	4.2
237.02827	30.3
288.49112	3.9
299.05573	6.9
309.06461	31.9
324.21277	4.3
327.03824	6.9
327.07532	100.0
348.09866	3.9
350.09106	4.8
351.07721	7.4
377.06705	6.6
377.93784	4.6
394.31674	12.0
395.07535	42.1
395.16431	4.8
395.21616	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	395.2042
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
54.63834	0.5
55.05525	0.6
69.03430	1.3
69.07056	0.8
71.60201	0.8
79.05494	1.2
81.03424	0.8
81.07060	1.8
84.08145	0.8
85.02878	1.1
91.05474	1.3
91.53548	0.6
93.07037	1.8
95.05005	0.6
95.08599	1.9
97.02905	0.7
97.06509	0.9
98.97599	0.7
105.07032	2.7
107.04958	0.9
107.08590	1.4
109.02887	0.8
109.06518	0.5
110.11265	0.5
117.07030	0.5
119.08583	1.0
121.06484	0.7
127.03951	0.8
131.08607	0.8
133.10110	0.7
137.06056	0.7
139.91942	0.5
145.10130	2.0
147.04416	0.8
147.08018	0.6
159.11674	1.1
163.11206	1.6
187.11230	1.2
191.10574	0.6
233.11655	0.7
233.15247	0.9
239.48723	0.6
330.11447	0.7
395.20422	100.0
396.20728	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43332	2.4
55.05504	16.1
57.07088	16.3
63.56756	2.6
67.05506	25.1
69.07079	25.1
71.08633	17.0
78.52333	3.0
79.05497	13.6
81.07063	58.5
83.08624	15.0
85.10164	9.3
91.05479	19.0
93.07040	15.4
95.08619	38.4
96.95666	2.6
97.10188	13.2
98.20684	5.1
103.40215	2.7
105.07022	29.3
107.08592	17.9
109.10170	19.7
111.11709	11.2
117.07026	10.8
119.08559	15.1
121.10146	10.8
123.11712	8.0
123.19978	2.6
129.07050	3.0
131.08569	19.3
133.10158	29.2
135.11702	6.7
137.13295	5.5
143.08566	8.5
145.10130	60.9
147.11678	23.8
149.13286	9.3
152.53227	2.6
157.10132	13.3
159.11719	37.2
161.13222	8.1
163.14842	3.6
171.11678	3.4
173.13245	13.9
185.13263	4.1
187.14854	3.4
199.14873	5.6
201.16284	3.7
213.16386	8.1
220.02843	3.3
220.93967	3.3
241.19508	4.8
247.24098	4.1
254.62654	2.7
255.21103	5.9
356.85672	2.6
395.36768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94037	2.1
53.03947	3.2
55.05519	15.0
57.07076	20.2
67.05507	27.1
69.06755	3.2
69.07073	28.5
69.45148	17.7
71.08636	17.8
79.05483	14.8
81.07058	63.5
83.08625	16.5
85.10164	12.3
91.05489	25.0
93.07041	21.5
95.08611	45.6
97.10170	15.8
105.07041	42.9
107.08589	24.4
109.10178	28.6
111.11703	8.1
117.07050	16.8
119.08565	16.5
121.10110	13.0
121.38035	2.4
123.11707	8.2
129.07062	6.2
131.08585	24.1
133.10126	33.7
135.11694	8.5
137.13274	6.8
142.07843	3.0
143.08569	6.8
144.09363	3.5
144.24706	2.4
145.10132	64.7
147.11699	31.2
149.13260	7.0
157.10147	13.2
159.11697	40.9
161.13239	8.4
163.14842	4.6
171.11707	7.3
173.13293	13.9
175.14987	2.9
183.11792	2.3
185.13235	6.1
187.14796	4.7
199.14757	7.9
201.16420	6.1
203.17780	4.0
213.16362	8.4
227.17996	3.4
234.50174	2.7
241.19485	5.2
245.84746	2.5
247.24266	3.9
255.21034	5.6
258.19711	3.1
294.50964	2.6
297.53180	2.5
395.36719	100.0
396.36942	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	396.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
56.05028	4.9
56.96550	5.4
57.03427	23.2
58.06586	13.6
60.04534	4.2
61.02925	7.8
61.88745	3.7
67.05470	4.3
69.03426	25.5
69.07061	9.9
69.83392	22.3
70.06587	10.7
70.42103	3.8
73.02923	29.5
74.06089	24.5
79.05477	5.7
81.03413	7.2
81.07037	7.5
84.08157	7.2
84.96007	4.0
85.02910	54.5
85.06555	3.6
86.09706	9.3
87.00862	4.4
87.04448	3.9
91.05486	43.1
97.02902	36.1
97.06506	8.0
98.20812	5.4
98.97587	6.6
100.07625	10.1
102.08529	7.4
102.09184	100.0
105.07078	5.4
109.02881	9.1
110.97585	4.3
112.98270	3.8
113.09669	5.5
115.03895	12.1
120.08109	10.0
127.03909	17.2
133.04913	5.1
136.07619	8.2
145.04941	9.7
145.10864	4.7
146.02734	8.0
149.06015	5.0
162.05508	62.3
181.04980	6.7
190.04971	55.1
194.07161	5.3
199.13190	4.3
237.12415	4.2
316.08054	19.8
334.09067	5.3
342.34314	3.5
346.18826	3.9
352.05286	4.6
378.06418	4.2
378.28168	4.3
379.17883	5.1
396.08157	8.1
396.14240	22.5
396.20340	29.5
396.28961	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	396.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19719	3.3
54.24059	3.3
55.01871	3.2
55.05504	5.1
56.96561	4.9
57.03433	16.9
58.06594	12.6
59.83908	3.0
60.04515	5.3
61.02936	5.8
65.03983	3.3
67.05505	5.2
69.03437	25.1
69.07068	9.7
70.06587	12.2
70.26355	2.8
71.60770	5.0
72.08139	4.2
73.02918	29.6
74.06080	27.2
79.05501	3.8
81.03417	7.4
81.07076	5.6
84.08137	13.2
85.02911	47.4
86.04176	2.8
86.09696	8.8
88.03988	3.1
88.07666	5.3
91.05491	32.5
93.07028	5.1
95.08613	5.7
97.02882	29.2
97.06532	4.8
99.04440	4.4
100.07630	18.6
100.99013	3.2
102.08535	6.6
102.09183	100.0
105.58085	3.2
107.08577	4.0
109.02885	9.8
110.07170	4.3
113.09623	9.4
115.03923	15.3
120.08080	3.8
127.03918	13.5
144.10298	4.9
145.04947	9.0
153.12643	3.8
158.99629	3.8
162.05505	53.0
177.05606	3.3
181.05026	16.0
181.12234	4.8
190.05006	40.8
199.13301	7.8
200.98790	3.9
212.94214	3.1
237.12222	6.3
315.14404	3.3
316.08139	22.7
324.05811	4.4
378.27771	3.9
379.18878	10.5
396.08228	7.4
396.13617	10.7
396.20340	18.3
396.29135	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.05521	10.4
56.96576	2.6
67.05500	18.4
68.05015	2.5
69.03436	27.4
69.07071	16.1
71.04997	2.8
71.27273	1.7
72.93948	1.9
76.87040	1.6
79.05490	17.8
81.07063	18.2
83.04961	1.8
86.06072	100.0
87.04474	59.4
87.05015	2.8
91.05494	11.2
93.07056	20.9
95.04965	7.1
95.08627	14.1
97.06521	4.4
97.10179	3.9
103.16051	2.2
104.07111	81.7
105.07020	13.1
107.04974	8.6
107.08601	8.9
109.10175	3.6
117.06993	2.5
119.08588	9.7
121.06576	2.5
121.10117	8.7
123.08022	3.0
131.08559	6.3
133.10153	8.5
135.08052	7.1
137.09656	2.1
139.11211	5.2
145.10143	3.6
147.11691	3.4
159.11684	2.9
194.05270	1.9
203.12834	4.5
235.23227	2.0
237.14844	4.1
275.20059	27.9
293.21036	22.2
301.91196	1.7
378.25632	2.2
396.27133	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0912
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
53.03931	0.3
53.15724	0.1
54.99047	0.1
55.01656	0.2
55.01879	1.8
55.05509	0.2
57.03437	1.3
59.08633	0.1
64.73145	0.1
65.03933	0.6
67.01855	0.4
67.05490	0.3
68.99781	1.5
69.00122	0.2
69.03421	0.7
70.06593	0.2
70.98734	0.4
72.08121	0.2
79.01860	0.2
79.05479	0.6
81.03023	0.2
81.03423	1.5
81.07051	0.2
82.34411	0.1
84.08138	0.3
85.02915	3.0
86.09687	0.2
91.05481	2.3
92.99761	0.3
93.03416	0.4
93.07040	0.2
95.04951	0.5
97.02904	0.8
99.00838	0.2
100.32301	0.2
103.05451	0.5
105.03379	0.3
105.07029	0.4
107.04954	0.6
109.02878	1.9
109.06463	0.2
111.04424	0.2
114.61450	0.1
115.05446	0.3
119.04946	4.4
121.02872	11.8
123.00793	0.8
126.26129	0.1
127.03939	0.3
129.06915	0.1
131.04948	1.4
133.02867	0.2
133.10187	0.1
135.04425	0.6
136.06230	0.2
136.13223	0.1
137.02338	1.0
141.01826	2.4
143.04939	0.2
145.02853	4.1
145.06519	0.2
147.04408	1.2
149.02336	1.1
149.05933	0.4
151.03868	0.2
152.01109	0.2
153.01801	0.8
159.04407	1.2
161.02319	0.2
161.06000	0.3
162.03004	0.2
163.00240	0.4
163.03911	3.4
165.01842	21.3
166.02321	0.3
167.03448	1.1
169.02867	0.4
171.04456	0.3
173.02428	0.2
173.05911	0.2
175.03932	0.9
176.00980	0.2
177.01881	0.5
177.05490	1.8
178.99702	0.4
179.03387	0.6
181.04944	0.6
183.02898	5.9
187.03917	3.7
189.01811	1.8
190.02600	0.7
190.99768	0.7
191.03391	1.0
193.04961	0.2
193.08569	0.3
195.03014	0.2
195.06522	0.2
197.00800	0.3
197.04298	0.2
199.03917	0.2
202.02658	0.2
202.07845	0.2
203.03387	1.2
205.01305	0.3
205.04956	2.6
207.02902	1.0
208.03607	0.2
209.00748	0.4
213.05473	0.3
215.03404	1.3
217.01305	0.3
219.10143	0.2
221.04478	0.3
229.05000	0.9
231.02797	1.0
231.08015	0.3
233.04465	1.2
239.07097	0.4
242.05678	0.5
243.02873	1.3
249.03986	0.6
252.07832	0.2
253.08577	0.3
255.06566	1.1
256.07385	0.4
261.03940	1.1
263.06839	0.3
266.05530	0.2
267.06516	4.0
269.04437	0.5
270.05203	1.7
271.06030	8.0
272.06384	0.3
273.03909	0.4
275.06909	0.2
277.08600	0.8
279.06552	3.6
280.07260	0.6
281.04611	0.6
281.08057	3.8
283.06018	100.0
284.06488	3.5
287.06982	0.2
289.08682	0.3
291.06531	0.2
293.08063	1.9
294.05255	0.6
294.08517	0.2
295.06009	6.8
295.09641	6.0
296.06631	0.3
296.09900	0.2
297.03928	1.4
297.07571	4.3
298.07968	0.2
303.06586	0.2
305.08105	5.5
307.06058	4.6
307.09305	0.1
308.06790	4.7
309.03940	4.1
309.07574	8.7
310.04468	0.2
311.05499	1.8
311.08911	0.3
313.07095	4.0
314.07578	0.2
319.06192	0.3
320.06741	0.6
321.07571	6.6
322.08456	0.2
323.05734	1.7
323.09131	33.1
324.09506	1.1
325.07059	0.7
331.06180	0.2
333.07565	6.6
334.08002	0.3
335.05447	1.1
335.09180	0.5
336.06116	0.4
337.07077	4.1
349.07074	24.9
350.07590	1.0
351.08643	8.6
352.08905	0.3
353.06534	0.2
361.07083	11.2
362.07166	0.4
367.08148	7.1
379.08139	24.1
380.08652	0.7
397.09192	33.7
398.09448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3103
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
52.87160	0.7
53.03938	1.0
55.05508	3.1
56.96575	0.8
57.07075	2.0
59.05007	1.8
61.02929	0.7
67.05510	6.7
68.70497	0.6
69.03439	2.0
69.07072	5.4
71.05011	1.4
71.08636	0.8
71.60936	0.7
71.61366	1.3
76.18349	0.7
78.90306	0.8
79.05495	3.8
81.03438	0.8
81.07063	12.5
83.04991	1.3
83.08617	3.2
83.69836	0.8
85.02923	1.0
85.06549	2.0
91.05475	4.8
93.07054	13.1
93.35983	0.7
95.04994	1.1
95.08614	13.3
95.09219	0.9
96.22015	0.6
97.02914	0.8
97.06538	1.7
99.08105	1.6
105.07035	11.3
105.07743	0.9
107.04976	1.2
107.08604	14.6
109.06527	4.5
109.10176	12.0
111.08061	2.1
117.07032	3.2
119.08592	18.8
121.06523	3.8
121.10165	11.2
122.46081	0.8
123.08106	2.1
123.11712	4.1
125.09663	1.8
127.11245	1.0
129.06981	1.0
131.08583	7.4
133.10133	15.3
133.11055	1.4
135.08089	1.8
135.11707	8.6
137.13290	0.9
139.11243	0.9
142.07835	0.8
143.08580	1.6
144.09367	2.0
145.10114	6.5
147.11691	12.1
149.09601	1.1
149.13292	6.3
151.11153	2.3
156.09337	0.7
157.10135	3.9
159.11710	17.0
161.09663	1.4
161.13287	5.1
163.11188	1.6
163.14845	2.7
171.11699	2.7
173.13272	4.5
175.11215	2.0
175.14845	2.5
177.12759	13.7
177.16331	0.7
179.14299	0.7
183.11728	1.2
185.13280	1.9
187.14864	3.5
189.16403	2.9
191.14403	4.3
191.18027	0.8
197.13274	0.8
199.14816	1.6
201.16426	3.6
203.14310	0.9
203.17999	2.0
205.15964	1.2
207.17464	1.3
213.16425	1.5
215.17969	1.3
217.15933	1.9
225.16377	0.9
227.17918	0.9
229.15955	0.9
243.17381	0.8
243.21075	0.8
243.83569	0.8
253.19644	1.1
263.34723	0.8
267.08978	1.2
271.20624	1.1
285.10092	1.6
311.23663	1.0
317.18002	2.7
333.15341	1.0
361.28693	1.0
379.29953	8.6
397.31055	100.0
398.31354	4.3
406.19485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57373	3.9
55.05508	21.1
57.06809	4.7
57.07066	18.9
67.05506	34.5
69.07066	34.0
71.08618	18.1
71.59286	5.2
77.49693	4.4
79.05511	21.2
81.07062	62.5
83.08605	20.6
85.10188	12.2
87.70022	4.7
91.05472	18.1
93.07056	26.5
95.08611	55.2
95.38409	4.6
97.10166	12.8
98.37212	4.1
103.72365	5.2
103.76936	5.3
105.07021	33.7
107.08607	37.5
109.10153	42.1
109.81439	5.0
111.11708	8.8
119.08594	32.5
121.10156	24.2
123.11697	18.7
131.08548	5.6
133.10104	24.2
135.11703	37.8
137.13226	6.5
147.11679	59.7
149.13246	17.5
153.43265	4.7
159.11676	8.0
161.13258	39.8
163.14865	6.8
175.14803	17.8
177.16367	7.5
189.16368	10.5
201.16296	8.1
203.17889	12.1
215.17979	10.3
229.19443	8.5
235.94447	6.7
243.21066	7.7
257.22678	7.5
271.02997	3.8
315.30310	6.5
397.26291	4.9
397.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.05507	1.7
56.05005	0.9
56.96547	1.9
57.03430	5.1
61.02908	3.9
62.20392	0.9
67.05502	1.2
69.03434	9.3
69.07069	6.3
70.06576	4.2
70.95241	2.2
71.04985	2.4
72.08143	1.5
73.02912	11.0
74.06065	1.3
77.75186	1.0
78.47235	0.8
81.03425	6.9
81.07059	2.4
83.06076	1.7
84.08138	2.0
85.02417	1.9
85.02904	28.9
86.09702	1.3
86.96687	1.1
87.00837	8.0
87.04486	1.3
91.05458	2.4
93.07041	1.5
95.04961	1.4
95.06065	1.3
95.47531	0.9
96.06877	3.6
97.02894	17.0
97.07641	5.3
98.97578	4.2
99.04431	2.6
104.04968	4.8
105.01863	6.1
105.07039	1.6
109.02892	8.6
109.07631	6.4
110.07145	1.3
111.08088	1.1
115.03912	6.3
116.98619	1.8
118.06531	2.0
119.04887	1.3
126.10253	4.1
127.03915	17.9
132.04454	100.0
133.04871	4.1
145.04961	11.5
147.04367	5.4
150.05476	7.8
158.99678	1.6
159.02882	2.0
163.03899	1.1
163.05981	4.2
170.09204	2.4
177.05408	1.8
183.25677	1.1
184.07350	1.6
213.03899	1.4
223.05901	1.4
231.05029	2.7
237.02921	1.8
241.27171	1.1
259.08258	1.7
266.08932	1.6
295.10043	1.7
334.05505	1.2
353.20825	1.1
354.23975	1.6
398.14359	2.6
398.22858	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83422	2.5
57.03443	35.4
61.02928	14.0
67.05518	2.7
69.03427	38.3
69.06713	3.1
69.07074	51.9
70.06596	2.8
71.01346	4.8
71.04982	2.7
71.57475	4.5
73.02921	77.7
74.69186	2.5
81.03420	6.3
83.04975	2.5
85.02911	100.0
85.12742	2.3
87.04493	2.7
91.05486	4.0
93.07018	5.3
95.08592	4.0
97.02902	61.5
98.97540	2.7
99.04436	5.4
107.08563	2.6
109.02848	8.2
111.08131	4.3
115.03937	57.4
124.07586	2.6
127.03927	30.5
133.04968	12.6
145.04962	48.1
163.06030	37.1
223.05975	6.2
231.12146	4.0
241.07071	9.3
259.08173	7.8
265.99353	2.4
295.10254	11.2
343.14395	2.5
380.19302	3.0
398.14212	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.2
57.03180	2.6
57.03439	39.3
61.02928	15.5
61.84419	2.3
69.03429	40.1
69.07071	36.1
70.06597	4.0
70.48899	6.1
71.01370	2.4
72.08173	2.2
73.02921	80.7
79.05499	2.6
81.03426	7.2
81.07057	6.0
83.58899	1.7
84.08129	2.8
85.02908	100.0
86.09700	3.1
87.04488	3.5
91.03966	5.3
91.05485	3.5
93.07043	5.3
95.08617	3.0
95.47540	2.0
97.02897	62.3
97.97749	1.9
98.97566	2.0
99.04480	4.5
105.07034	4.9
107.08540	2.6
109.02870	9.8
111.04421	2.7
111.08089	7.1
115.03932	51.0
115.96604	1.8
121.02878	2.0
121.06519	3.9
123.08121	2.9
124.07594	2.7
127.03934	27.6
127.07558	2.0
128.11781	1.9
133.04961	13.8
135.04430	2.1
145.04968	45.8
150.07613	4.1
153.09058	2.5
163.06049	33.6
183.10207	3.3
195.10263	5.5
213.11273	4.6
223.06004	4.9
241.07066	6.1
259.08173	7.0
295.10190	4.4
386.22556	2.0
398.13617	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	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.9
56.96551	4.6
57.03436	2.1
67.05509	11.8
68.05042	2.7
69.03431	27.9
69.07064	8.4
69.62785	7.9
71.05003	2.5
73.02900	1.6
79.05485	7.4
81.03419	5.2
81.07057	10.7
83.04951	2.5
83.08603	2.9
85.02879	2.5
86.06071	100.0
87.04472	69.3
90.59732	1.5
91.05464	5.0
93.07058	12.0
95.04968	4.3
95.08606	9.6
97.02903	1.5
97.06540	3.9
97.10172	2.1
99.08112	1.5
104.07108	81.8
105.07009	4.4
107.04963	2.0
107.08591	6.8
109.06531	2.5
109.10133	5.9
115.93053	1.6
119.08580	4.8
121.10144	6.3
123.11698	2.2
133.10118	4.2
135.11691	2.0
137.09619	1.9
143.08572	1.9
147.04378	5.1
149.13303	2.1
151.11137	2.4
157.10173	1.9
159.11655	2.3
222.13823	1.7
277.21664	16.2
279.03848	1.4
295.22672	24.2
295.25729	2.2
363.21545	1.7
380.27637	1.6
385.49484	1.6
398.28940	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
56.05028	1.6
56.96560	5.1
57.03427	4.4
57.19626	1.5
60.19316	1.4
61.02917	2.9
63.08202	1.6
65.23325	1.4
69.03421	11.8
69.78909	9.6
70.06593	3.1
70.63911	1.3
73.02915	2.7
81.03425	5.5
82.99847	1.7
83.04996	4.0
84.04529	1.5
84.08112	2.0
84.44032	1.5
85.02914	31.2
87.04479	1.9
89.03918	5.1
91.05470	2.9
97.02899	24.0
97.06545	3.1
98.59644	1.4
98.97584	12.9
99.04481	1.8
101.00880	11.4
102.05550	3.3
107.04970	2.6
109.02891	4.3
110.07130	2.5
111.04407	2.2
113.00900	3.8
115.02435	2.5
116.98645	5.2
117.03364	5.0
118.08656	2.7
119.01925	26.4
119.04943	1.7
122.02757	2.6
127.02467	1.8
127.03925	4.7
128.98636	1.6
131.00232	1.7
131.01921	14.0
133.03545	3.0
135.04419	6.3
136.06204	12.8
137.03012	2.7
139.02371	1.6
143.00111	1.6
143.01918	4.7
145.03467	6.2
145.04810	1.6
147.04414	2.6
155.01892	11.0
157.03462	7.7
158.99706	2.3
161.01173	2.4
161.02991	11.7
163.03894	23.8
165.04030	3.1
167.01976	2.1
167.07022	4.8
169.03564	3.5
173.02979	11.4
175.04170	1.7
177.00645	2.6
177.05487	4.9
179.02060	1.8
181.03476	4.4
183.01389	2.1
183.05048	6.5
185.02991	5.6
186.98987	1.5
187.04539	6.0
193.03510	2.7
195.01456	4.2
195.05080	2.1
197.02980	24.6
199.04466	3.4
203.04008	3.0
205.03435	2.2
207.06561	5.3
209.02971	6.7
211.04556	5.3
213.00627	2.3
213.02467	27.5
215.04108	4.8
219.01744	6.7
219.05064	3.4
221.02986	5.6
221.05109	4.5
223.00829	8.2
223.04604	6.2
225.02498	2.0
225.06128	3.1
227.04047	2.5
227.06723	3.3
227.56946	3.1
229.03410	1.7
231.01486	3.1
231.03555	5.9
233.03030	2.8
235.04469	7.3
237.02541	35.2
237.06155	5.0
239.04018	5.0
241.05540	1.8
244.04309	3.2
245.05107	3.5
247.04558	4.0
249.02496	11.4
249.06206	3.5
250.09381	14.0
251.04048	5.6
253.01880	2.3
253.05673	3.0
255.03552	50.1
261.02521	6.9
263.04041	14.2
265.05893	2.0
267.03531	19.5
267.06747	2.5
269.05014	2.3
273.04712	2.5
277.05579	2.7
278.04977	3.1
279.03549	18.1
281.05035	16.7
285.04648	3.4
291.03540	8.1
297.04663	19.3
298.09818	1.6
303.03482	2.3
309.04721	2.8
321.04721	8.9
339.05627	100.0
340.06033	3.8
357.06705	82.0
358.06708	1.6
362.07266	1.8
375.07693	8.1
380.08322	3.6
381.10995	3.6
385.72202	1.8
393.08783	16.1
399.07620	22.3
399.12714	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	399.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
56.05022	1.1
56.96555	2.4
61.02930	1.5
69.03420	4.0
69.57222	2.7
69.57635	2.8
70.06580	3.5
71.04982	1.1
71.08625	1.2
72.08145	0.9
73.02926	1.0
77.10770	0.9
79.05492	0.9
81.03406	1.6
83.04970	1.2
84.08131	1.2
85.02911	9.5
89.03905	2.5
91.05467	1.6
97.02896	10.4
97.06540	1.6
98.97581	7.2
100.07635	0.9
101.00884	3.1
102.05534	3.2
107.04973	0.9
109.02871	1.4
110.07159	2.1
110.97551	1.5
113.00892	1.7
116.98636	2.0
117.03386	1.9
119.01911	6.1
119.04980	2.2
122.02713	1.4
122.07153	0.9
127.03898	1.5
128.98584	1.4
131.01897	2.9
135.04417	3.6
136.06189	7.8
137.06004	4.6
142.01106	1.3
143.01846	2.0
145.03421	3.1
145.04958	1.7
146.06038	1.4
147.04427	2.4
148.03815	1.2
155.01906	1.9
158.99678	1.3
161.02965	2.8
163.03888	11.4
164.04193	1.0
167.01967	1.2
167.07083	1.5
173.02953	2.5
177.00702	2.1
181.03447	1.0
183.05019	0.9
185.03058	1.5
191.08148	1.8
193.03505	1.0
195.05011	1.8
197.03008	5.0
197.04579	0.8
199.04512	1.1
203.05286	19.5
207.06557	1.4
208.20837	1.0
209.02887	1.4
213.02449	4.7
215.04066	1.2
219.01735	3.7
219.05083	2.6
221.03043	1.7
221.05042	1.7
223.04538	1.1
227.56952	1.4
228.05658	1.7
231.01427	1.4
231.03464	2.1
235.04521	2.6
237.02550	7.6
237.06160	2.4
237.08710	2.9
239.03954	1.5
244.04196	7.1
245.05106	1.8
247.04558	1.6
249.02515	2.8
250.09401	5.7
251.04070	1.2
255.03545	7.0
259.04303	1.3
261.02502	0.9
263.04037	3.1
267.03436	3.3
277.03677	1.0
279.03561	3.3
279.06784	1.7
281.05048	1.6
291.03662	1.3
297.04681	4.1
307.06549	1.7
321.04810	2.2
321.08249	1.6
339.05615	18.7
339.09680	1.0
344.08606	0.9
348.06943	4.1
357.06705	13.4
363.09238	3.2
375.07584	1.4
381.10815	6.0
393.08810	2.4
399.08279	3.9
399.12619	100.0
400.12857	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	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85829	8.3
53.03959	16.6
55.01870	27.9
55.05503	41.0
56.96558	11.2
57.03436	36.6
67.05511	84.1
69.03416	21.2
69.07066	34.4
71.08624	12.2
71.61023	10.2
72.08176	7.8
79.05496	76.7
81.03413	24.0
81.07055	80.9
83.04978	38.3
83.08603	17.1
85.02923	10.4
85.10156	11.7
91.05489	85.3
93.07060	67.2
95.04986	55.7
95.08617	53.1
97.02885	16.6
97.06540	13.2
97.10177	22.0
97.28759	8.6
97.99914	9.8
103.72533	8.4
105.07035	100.0
107.04956	81.7
107.08604	49.9
109.06526	31.0
109.10165	49.5
111.04424	16.9
111.08087	17.4
112.05231	9.8
117.07041	32.8
119.04932	20.3
119.08572	54.0
121.06503	30.2
121.10169	31.1
122.07312	20.6
123.04478	11.1
123.08093	14.2
123.11677	9.9
128.06244	11.2
129.05466	20.5
129.07024	16.1
131.08548	45.0
133.06506	25.0
133.10126	38.8
135.08032	17.8
135.11681	16.8
137.05981	10.4
137.09650	14.4
141.07001	10.1
143.08585	18.1
145.06471	14.9
145.10089	22.5
147.04436	14.1
147.08049	26.6
147.11719	26.5
149.09639	14.6
151.07529	14.2
159.11726	21.9
161.09726	18.3
163.11238	10.4
167.07074	20.9
169.10153	11.3
171.11667	15.6
173.13248	20.7
193.12170	9.5
208.99054	9.6
217.08661	21.4
219.08124	15.6
229.97348	8.2
233.15425	47.9
243.10863	13.8
245.08197	9.8
263.06845	9.1
273.18488	16.6
290.18719	15.2
307.19101	25.7
367.11859	21.6
381.22662	28.5
399.14420	45.4
399.25092	18.7
399.29587	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	399.3261
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
50.41266	0.4
53.03948	0.7
55.05518	3.8
57.03421	0.5
57.07076	1.9
65.03944	0.5
67.05505	8.0
69.03426	1.6
69.06752	0.6
69.07078	5.8
69.35141	0.5
71.08627	0.6
73.02914	0.6
79.05502	4.5
81.07065	16.5
83.08625	2.2
85.06531	0.7
88.07639	0.8
89.26293	0.4
91.05484	4.0
93.06461	0.7
93.07049	11.8
95.04966	0.9
95.08614	23.3
97.06544	1.8
97.10150	1.1
101.06055	0.6
105.06367	0.8
105.07040	11.7
107.04962	1.1
107.08604	18.7
109.06541	3.3
109.10167	13.6
111.08088	1.3
111.11740	0.8
117.07034	2.5
119.07775	0.9
119.08596	14.8
121.06512	3.3
121.10153	15.4
123.08049	1.3
123.11714	9.4
125.09615	0.8
129.07013	0.8
131.08598	4.8
133.10147	10.1
135.08130	2.6
135.10672	0.9
135.11702	15.8
137.09584	0.6
137.13274	2.9
143.08549	1.2
144.09383	1.6
145.10161	5.8
147.08014	0.9
147.11691	10.8
149.09650	1.1
149.13263	7.2
151.11198	1.0
153.12701	0.8
157.10193	2.5
159.11703	14.4
161.09630	0.6
161.13303	5.8
163.11230	1.2
163.14851	4.1
165.12802	0.9
171.11737	1.3
173.13287	3.8
175.11198	1.8
175.14838	3.1
177.12762	17.4
177.16435	1.9
179.10796	0.5
185.13268	1.8
187.14828	2.1
189.12752	1.9
189.16432	3.0
191.14339	5.3
191.17963	12.2
195.13776	0.7
199.14854	1.2
200.06984	0.5
201.12737	1.9
201.16360	2.4
203.14375	1.9
203.17986	3.6
205.19637	2.4
209.15323	0.8
213.16440	0.9
215.14369	1.3
215.18027	1.6
217.15947	1.4
217.19525	1.6
219.17418	0.6
227.18028	1.2
229.19496	0.8
231.17474	0.6
231.21210	1.0
239.17966	0.5
245.19049	3.5
257.19052	0.7
259.20630	2.0
271.20505	1.2
272.18793	0.5
273.22064	0.5
285.22162	1.2
297.22165	0.9
307.24719	0.6
315.26984	0.7
338.34308	0.5
363.30515	1.2
381.26776	1.0
381.31564	23.7
399.32639	100.0
400.33099	3.8
400.37775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
54.44247	1.5
55.05514	17.6
57.07071	5.2
65.03932	2.6
67.05512	26.0
69.07074	22.7
69.48381	10.5
69.48791	3.9
71.05015	1.7
71.08625	3.5
71.91098	1.6
79.05491	14.9
81.03388	2.0
81.07063	51.3
83.04994	5.4
83.08637	10.7
85.02890	2.9
85.06534	2.9
88.57633	1.9
91.05472	13.1
93.07054	48.0
94.75121	1.6
95.05000	3.4
95.08614	100.0
97.06528	4.1
97.10177	4.7
98.20762	4.1
99.04459	5.2
101.06024	7.1
105.07034	24.4
107.08603	63.1
109.10164	40.4
111.08076	2.3
117.07037	2.3
119.08591	30.5
121.06609	2.0
121.10158	52.2
123.11735	15.9
125.09649	3.8
127.07533	2.1
131.08568	6.1
133.10141	30.4
135.08076	3.5
135.11702	53.3
137.09637	2.2
137.13254	6.2
143.08623	4.3
145.10161	8.8
147.11699	25.9
149.09637	2.3
149.13264	33.4
151.11195	2.6
153.09106	2.7
157.10161	3.2
159.11707	13.3
161.13295	15.9
163.14876	9.3
165.12936	1.7
167.10629	2.8
171.11646	2.3
173.13316	6.8
175.11119	1.8
175.14851	8.4
175.24208	2.3
177.12746	12.0
177.16362	5.9
181.12227	5.2
185.13312	2.7
187.14760	4.4
189.12787	2.2
189.16425	14.2
191.14395	10.1
191.17953	71.9
195.13782	15.2
201.16425	2.0
203.17979	17.0
205.19511	7.2
207.13777	9.5
209.15398	19.3
213.16478	2.6
215.28937	2.0
216.74098	2.0
217.19528	19.3
229.19632	2.4
231.21115	2.0
249.18584	3.4
289.21783	3.1
315.23245	2.6
381.27676	2.8
399.19696	1.8
399.24475	2.5
399.32761	47.6
400.37912	2.4
409.05142	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	400.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57539	0.3
55.01865	1.1
56.96558	0.6
57.03434	1.7
61.02916	0.5
68.55428	0.3
69.03436	2.3
70.06578	0.7
70.28577	0.3
70.38823	0.5
70.39226	0.5
71.01359	0.6
72.08167	0.6
73.02916	1.5
79.05473	0.3
81.03406	0.5
81.07043	0.9
83.04988	0.4
84.08134	0.6
85.02899	2.3
87.04456	0.5
89.03892	0.5
94.04077	0.7
97.02905	2.2
98.21216	0.6
98.97603	1.4
99.04464	0.4
99.08098	1.0
105.40703	0.3
107.04958	0.5
110.07180	0.5
115.03930	1.1
116.98643	0.7
117.03341	0.3
119.03559	1.3
120.08105	0.4
123.04408	0.4
124.07559	0.3
127.03882	0.5
133.04984	1.0
136.06189	100.0
137.04562	0.9
137.06528	0.8
143.00124	0.3
144.61896	0.3
145.02902	0.8
147.04407	0.7
152.06989	0.5
159.06818	1.4
162.52875	0.3
163.03926	2.3
167.58131	0.7
177.05469	0.4
181.92496	0.3
203.07379	0.6
209.27681	0.3
219.01793	0.9
220.10033	0.7
237.00691	0.3
237.02917	0.9
238.10922	0.6
268.10455	7.2
275.57980	0.3
293.77335	0.3
400.14569	1.7
401.04599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
54.93840	1.7
56.58560	2.2
57.03438	24.2
57.71335	1.8
61.02929	14.8
69.03434	25.0
71.01359	2.0
71.38992	3.0
71.39345	1.9
73.02923	60.8
81.03433	9.7
85.02911	100.0
91.03950	7.9
97.02898	44.5
99.04456	5.1
107.04948	3.2
109.02874	8.5
110.07159	7.5
115.03944	29.6
127.03936	25.8
133.04973	7.6
145.04967	62.4
150.07614	3.7
163.06032	22.4
164.07990	1.9
167.07050	6.4
206.50609	1.8
219.08170	3.5
223.06081	2.7
241.07129	2.8
251.14900	3.9
259.08002	2.9
277.19177	2.7
293.08054	2.3
330.11118	2.2
368.21909	4.7
383.14746	8.6
400.24738	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	400.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.5
56.04462	6.6
56.95712	5.6
60.27555	5.1
66.31610	6.7
67.05518	52.9
69.03431	6.9
69.07067	13.9
69.64819	11.1
69.65226	28.2
78.07962	5.0
79.05497	32.7
81.03392	7.6
81.07066	67.8
83.04978	10.0
83.08622	10.1
85.06545	9.1
91.05469	39.1
93.07050	30.1
95.04967	19.5
95.08598	21.2
97.10147	6.3
99.04478	5.8
105.07036	46.2
107.04962	8.4
107.08609	42.0
109.06541	8.4
109.10161	61.0
111.04428	5.7
114.73722	5.3
117.07001	6.0
119.08582	18.7
121.06487	6.0
121.10153	12.8
123.11738	12.2
125.09627	7.2
127.07578	7.0
131.08575	12.5
133.10143	58.3
134.10538	6.3
135.11737	6.0
137.09659	6.0
143.08594	8.8
145.10179	9.1
148.98160	5.3
149.09518	6.1
151.11197	30.8
159.11662	8.9
165.12706	6.0
169.12248	8.6
170.49178	6.1
173.13158	6.5
176.42711	5.5
179.37187	5.9
208.44040	6.8
253.14380	100.0
269.13898	6.9
271.15329	21.2
283.98801	5.8
291.19531	9.5
356.75940	6.0
358.66422	6.7
365.23267	17.5
383.29562	8.1
401.30701	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	400.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33678	0.5
55.05516	11.5
56.96561	2.4
57.03445	0.6
57.07087	2.9
58.06590	1.8
61.02903	1.0
67.05495	2.4
69.03413	0.9
69.07072	14.0
70.06599	17.3
70.06987	0.9
70.07392	1.4
71.05003	0.6
71.08612	0.6
71.61678	0.7
71.84843	0.5
72.08139	1.2
73.06567	0.7
74.06068	1.1
79.05474	1.5
81.07054	2.0
83.04971	0.7
83.08634	4.2
84.08144	1.0
85.10184	0.6
86.09709	44.2
87.04446	0.7
87.09499	0.7
87.10042	14.4
88.07635	29.9
91.05476	1.1
93.07034	1.9
95.08595	2.0
97.02874	0.8
97.10168	1.6
98.97614	0.6
102.09185	13.3
105.07031	1.2
106.07392	0.7
107.08614	1.0
109.10133	1.7
115.99326	0.6
119.08600	0.9
121.10150	1.3
132.10219	1.9
145.10161	1.0
146.11794	1.4
147.11748	0.6
149.13353	0.6
149.98482	0.5
150.11243	1.1
159.11720	0.7
186.14897	20.1
187.15248	16.9
199.06375	0.7
214.14330	4.1
215.14725	3.8
241.07455	0.7
243.09088	1.6
257.06915	0.7
257.10663	0.6
301.09613	1.5
315.20062	0.9
317.18015	1.4
318.18167	0.8
329.22403	0.5
336.26404	0.6
338.34177	30.6
340.31509	0.6
367.06369	0.6
382.36874	2.1
383.29544	0.7
391.25702	0.6
400.37875	100.0
401.38162	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	401.0868
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
55.01880	4.5
58.66523	0.4
62.41720	0.4
65.03932	0.4
66.92400	0.4
67.05486	0.9
68.99792	2.9
69.03396	1.4
69.87585	0.9
69.87999	1.2
70.06573	0.5
72.08132	0.6
79.05494	3.5
81.03385	1.3
81.07021	0.7
83.04960	0.4
85.02882	0.9
86.09677	1.3
87.54291	0.4
91.05490	1.9
92.73507	0.4
92.99767	0.8
93.03392	0.8
95.01314	0.5
95.04945	1.7
97.02861	1.5
98.21432	0.4
103.05484	0.6
105.03353	0.4
105.07037	0.9
107.04964	4.5
107.08518	0.4
109.02832	1.1
111.04378	0.9
115.05444	0.7
117.03339	0.8
119.04894	1.0
119.08591	0.4
121.02234	0.4
121.02885	3.8
121.06459	0.5
123.00759	1.1
123.04437	1.0
124.05185	0.8
125.05882	0.6
127.03934	0.8
128.06190	0.8
129.06967	0.8
131.04912	1.6
131.08498	0.9
133.02843	0.9
135.04420	5.9
137.02347	15.5
137.03355	0.9
137.05911	0.6
141.01811	2.5
141.06949	0.7
144.05698	0.8
145.02820	1.6
145.04906	0.6
145.06393	0.5
147.04456	2.5
148.07515	0.5
149.02324	0.8
149.05956	1.1
150.05476	0.4
151.03896	0.8
153.05399	0.6
156.05672	1.1
159.04445	0.8
159.08026	1.8
160.07549	0.5
161.02357	7.8
162.05426	0.5
163.03918	9.9
165.01840	18.2
165.05426	0.9
165.06830	0.4
167.03366	0.8
167.07042	7.8
169.02783	0.6
173.02292	0.5
173.05882	0.6
175.03954	3.1
177.01819	0.6
177.05449	1.3
179.03424	5.8
179.08492	0.4
181.04990	3.6
183.02899	4.8
184.07596	0.5
186.06769	0.7
187.03854	1.8
187.07516	0.8
189.01848	1.0
190.99763	0.4
191.03436	3.9
191.06993	0.7
191.08492	0.6
193.04922	1.3
195.06439	0.4
202.08484	0.5
203.03386	7.4
205.06607	0.9
205.08606	1.4
207.02803	1.2
207.06461	0.8
208.05142	1.2
208.08850	0.6
209.04391	1.0
209.08130	0.5
217.08617	2.1
218.07306	0.8
219.08060	1.7
219.10051	0.7
220.08876	0.5
221.04211	1.9
221.06264	0.7
229.05028	0.9
229.08623	1.4
231.02820	1.7
231.08115	0.5
231.10243	0.5
233.09575	0.5
235.07571	1.2
239.08173	2.6
245.04482	1.6
247.02402	0.9
247.07674	2.0
247.09711	1.8
248.08334	1.0
249.03680	0.7
249.09125	0.7
251.06905	0.9
251.10747	0.9
253.08659	0.5
254.05736	0.6
255.06451	0.9
259.07611	0.6
261.08972	0.5
262.09927	0.5
263.06979	1.1
263.10654	1.1
264.07770	1.1
265.08508	0.6
267.06393	0.6
269.08047	2.2
271.06039	0.9
271.09723	0.6
272.06793	0.4
275.07147	0.9
276.07889	1.0
277.08655	0.9
279.06641	1.0
279.10129	1.7
281.08127	0.6
282.05334	0.4
282.08829	0.7
283.06033	3.0
285.07379	0.5
286.04819	1.2
287.05457	4.9
289.03305	1.0
291.06757	0.5
291.10098	1.7
292.07352	0.8
293.08102	1.0
295.06076	4.7
295.09402	0.8
296.06711	0.8
296.10315	0.5
297.07584	22.4
299.05505	93.3
300.06122	4.0
305.08017	0.6
307.05957	1.3
307.09610	1.3
308.10620	0.5
309.07623	5.5
310.04642	1.1
310.08075	0.6
311.05502	10.0
313.03622	0.7
313.07043	15.3
315.08560	3.2
319.06311	0.7
319.09695	0.9
320.07022	0.5
321.07559	3.0
323.05542	4.3
323.12799	1.7
324.06250	1.6
325.07068	61.9
326.07419	1.1
327.05139	0.7
327.08621	4.9
328.09195	0.5
329.06555	7.9
330.10971	3.7
331.11636	0.5
336.06262	0.8
336.10062	0.7
337.07074	48.1
338.07422	1.2
339.04916	0.7
339.12375	1.7
341.06549	6.9
343.11850	1.0
351.12317	2.5
353.06561	96.1
354.07025	2.2
355.08072	3.6
356.15152	0.5
365.06573	36.4
366.07001	0.8
368.12546	1.5
371.15085	0.8
383.07620	100.0
383.14658	9.6
384.08057	2.6
401.08725	19.2
401.15903	2.3
401.21359	1.5
402.19293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89792	0.3
53.03954	0.4
55.01887	0.5
63.02363	0.6
64.11183	0.4
64.43822	0.3
67.05520	0.4
69.76182	0.9
69.76595	1.5
78.16400	0.4
79.05494	0.8
81.07043	0.5
89.03912	7.7
91.05497	0.7
93.07046	0.4
95.04975	0.7
98.21478	0.7
106.04178	0.9
107.04959	1.9
117.03378	23.3
118.58576	0.4
119.04976	0.4
123.04423	0.4
124.05196	0.9
129.07030	0.5
131.08569	0.5
134.03656	1.9
135.04396	1.1
136.03903	2.2
138.96872	0.4
144.05602	0.6
145.02844	55.4
146.03258	0.6
149.05981	7.8
149.07120	0.8
153.05330	0.5
156.05746	0.9
159.08087	1.0
162.05525	0.6
163.03920	0.9
167.07054	6.1
177.05466	100.0
178.05775	1.1
179.08206	2.3
181.05002	0.6
186.05397	0.7
186.06923	0.4
187.07500	0.9
192.49138	0.4
205.06648	0.5
205.08588	1.1
207.06499	0.5
208.05223	0.7
217.08617	2.1
218.07355	0.9
219.08028	1.3
219.10075	0.4
229.08617	0.8
231.08099	0.5
233.05856	0.7
236.08316	0.5
247.07500	1.6
247.09738	0.7
248.08267	1.0
249.09088	0.4
261.09070	0.6
262.09930	0.6
263.07031	0.7
263.10699	1.0
264.07755	1.1
265.08539	0.6
269.08084	0.9
271.09518	0.5
275.06873	0.9
276.07739	0.6
277.08542	0.6
279.09903	0.8
280.10727	0.5
282.08820	0.5
285.27039	0.4
290.09058	0.5
291.10159	1.3
292.07803	0.6
293.08066	1.2
307.09570	1.1
308.10590	0.5
315.08551	1.8
319.09518	0.7
321.07675	0.5
323.12595	0.9
330.10913	2.1
331.11639	0.6
337.10767	0.7
339.12375	1.0
343.11734	0.9
351.12177	1.8
353.10281	0.9
368.12323	1.4
369.13007	0.7
371.14789	0.4
383.10925	0.5
383.14935	6.2
401.15613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01859	2.8
70.37376	6.7
74.51244	2.7
79.05492	13.0
81.07028	2.4
91.05476	7.7
95.04956	2.5
103.05505	4.1
106.04191	3.1
107.04949	27.7
112.56767	2.7
115.05470	5.8
117.07053	2.8
121.06503	5.1
124.05250	3.4
124.37914	2.3
128.06181	5.3
129.07019	5.6
131.08578	8.4
141.06947	5.1
144.05710	7.2
145.02852	3.5
145.06429	3.0
149.06001	6.1
156.05704	10.3
157.06412	3.3
159.08035	10.5
165.06979	4.4
167.05627	4.2
167.07031	70.2
177.05429	13.5
181.04958	3.8
181.08672	4.0
187.07520	5.7
189.06964	3.9
190.07724	3.2
191.06996	3.6
191.08620	3.4
193.06430	2.9
202.07776	5.7
203.08609	5.6
205.08594	8.4
207.08150	4.9
208.05211	10.9
209.07951	3.3
217.08537	21.8
218.07303	7.6
219.08064	19.7
219.10063	5.6
220.08852	7.9
221.06053	6.0
221.09677	3.9
223.11299	3.5
229.08601	9.9
231.08060	6.6
233.05954	5.6
233.09607	6.7
234.10339	4.4
235.07478	4.4
236.04689	4.9
236.08379	8.0
237.09082	3.2
238.06187	4.0
244.08733	3.4
245.09570	6.1
246.06738	5.3
247.07536	14.7
247.09732	14.9
248.08368	16.4
249.05367	6.9
249.09241	3.6
251.06950	3.2
251.10837	4.0
253.08502	2.6
254.05829	5.7
258.06873	3.2
259.07648	5.3
261.09164	7.9
262.09818	7.6
263.07471	4.8
263.10571	9.2
264.07843	12.0
265.08597	10.1
266.05780	4.2
267.06546	2.9
269.08054	8.7
271.09802	5.7
275.07117	10.2
276.07758	12.0
277.08505	6.8
278.05710	3.4
279.07166	3.0
279.10089	15.7
281.08063	6.1
282.08969	9.3
289.08786	4.6
290.09332	7.3
291.07129	3.4
291.10059	18.3
292.07388	6.1
293.08044	15.6
299.09180	5.3
305.11752	3.3
307.06335	4.2
307.09531	17.1
308.10452	11.5
309.07773	3.6
310.08395	7.3
311.12668	5.4
315.08649	37.6
319.09647	10.0
321.07498	6.9
322.08344	3.5
323.12827	15.7
325.10626	3.8
326.53854	2.9
330.10980	49.4
331.11707	8.1
336.09930	4.2
337.10736	9.0
339.12323	16.6
343.11853	14.8
351.12283	22.3
352.12943	3.9
353.10162	11.9
356.12466	3.4
368.12546	13.7
369.13333	9.6
371.14844	8.0
380.49591	2.6
383.14902	100.0
401.15897	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
71.03757	3.5
71.74928	1.3
79.05511	9.5
81.07036	2.7
86.09703	1.6
91.05477	6.9
95.04971	2.8
107.03411	1.4
107.04277	2.2
107.04967	19.5
110.69124	1.3
115.05442	3.3
116.06229	2.5
117.07005	2.0
123.04454	3.5
124.05182	3.8
128.06212	2.5
129.06972	6.4
131.08583	4.7
132.05753	1.7
141.06984	5.1
144.05681	6.0
145.06468	2.8
146.57220	1.5
156.05684	8.4
157.06490	4.2
158.07257	3.5
159.08064	9.6
163.03900	2.9
165.06976	1.8
167.07053	50.5
169.06395	1.7
170.07336	1.6
171.66382	1.4
172.05127	1.8
173.06029	2.2
174.06796	2.1
178.07838	1.8
179.07079	2.4
181.04964	2.4
181.08624	2.2
186.06757	3.7
187.07521	7.6
189.06990	3.0
190.07811	2.3
191.08530	4.7
194.07259	1.7
195.06502	3.7
201.09053	3.4
202.06175	2.6
202.07829	4.2
203.08569	4.5
205.06654	3.1
205.08597	8.1
206.07245	2.4
207.06502	3.9
207.08154	2.3
208.05232	5.7
208.08846	4.5
210.06970	2.6
211.07591	2.1
217.06717	2.9
217.08580	20.9
217.10371	2.4
218.07249	6.5
219.08031	17.4
219.10188	4.7
220.08810	6.5
221.06007	6.4
221.09555	2.7
229.08601	9.5
230.07155	2.3
231.08029	7.0
231.10100	3.0
232.08871	2.8
233.06030	2.1
233.09648	5.7
233.33665	1.5
234.06802	5.6
235.07590	3.9
236.04730	2.4
236.08382	6.3
237.09142	4.0
238.06358	2.7
245.09584	3.3
246.06631	2.4
247.07478	18.2
247.09705	14.0
248.08302	14.8
249.05501	4.8
249.09064	4.8
250.06447	3.4
251.10660	5.0
254.05679	3.2
255.06422	3.4
258.06815	2.0
259.07584	5.5
260.08411	2.9
261.09094	6.4
262.06223	3.6
262.09879	5.6
263.07068	6.3
263.10660	11.7
264.07806	11.2
265.08548	7.8
267.06564	4.4
269.08087	7.8
271.09677	4.3
272.06824	1.6
273.09045	2.6
275.06955	8.3
276.07794	9.3
277.05011	2.8
277.08679	6.4
278.05862	2.1
278.09189	1.7
279.07181	2.3
279.10165	14.3
280.11032	1.9
281.08041	3.5
282.09045	3.4
287.06894	2.6
289.08670	2.9
290.09396	5.6
291.06891	2.4
291.10138	18.3
292.07321	7.1
292.10617	2.5
293.08060	8.5
294.08896	3.0
295.06097	1.5
296.10437	2.6
299.09143	5.0
301.07156	1.6
305.08136	3.6
306.08945	1.8
307.06293	1.7
307.09656	15.7
308.10406	6.5
309.07669	2.4
309.11169	1.7
310.08286	4.6
311.12686	4.4
315.08646	22.2
316.09204	1.5
318.08966	1.6
319.09680	9.1
321.07526	6.3
321.11014	2.5
322.08258	2.6
322.12006	2.6
323.12729	12.5
325.10846	2.2
330.11002	25.3
331.11664	7.7
335.09195	2.8
336.09821	5.3
337.10825	8.5
338.07797	2.1
339.12234	11.5
340.12906	1.9
343.11755	7.1
350.11377	1.9
351.08026	2.0
351.12314	22.7
352.12924	4.3
353.10068	10.1
356.12503	4.0
368.12628	17.0
369.13367	1.9
371.14890	4.6
383.14917	100.0
384.14966	3.5
401.16016	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
70.50039	7.3
72.08161	2.7
79.05495	13.2
81.07061	3.2
86.09682	2.5
87.61687	2.0
91.05473	5.9
103.05496	2.5
105.07025	3.1
107.04956	27.5
119.36939	2.2
123.04444	2.3
124.05198	7.2
128.06226	2.8
129.07007	3.4
131.08537	6.7
141.06960	5.6
144.05719	6.5
145.06473	5.0
147.04321	2.4
149.06036	2.4
152.04678	3.5
156.05707	8.5
157.06534	4.0
158.07207	2.3
159.08066	9.5
161.05937	2.4
165.07004	3.8
167.05609	4.3
167.07047	83.9
169.23071	2.1
170.07372	2.4
173.05959	3.8
181.04939	4.6
181.08643	2.8
184.05330	2.7
186.06772	4.1
187.07542	7.6
189.07050	2.3
191.07043	2.6
191.08629	4.5
195.06569	2.9
201.08984	2.5
202.06148	3.2
202.07793	5.4
203.08498	3.9
205.06856	3.6
205.08517	16.3
207.06476	6.6
207.08202	3.0
208.05209	18.8
208.08820	4.1
209.08080	3.1
210.06781	3.5
211.07732	2.6
217.08618	21.0
218.07285	5.5
219.08058	18.6
219.10098	4.8
220.08838	4.1
221.06033	7.8
221.09464	3.5
229.08548	10.0
231.08023	9.4
232.08745	2.9
233.06052	3.0
233.09602	7.1
234.06750	2.8
235.07506	6.4
236.04698	5.2
236.08368	5.5
237.09148	4.8
238.06306	5.1
240.82365	2.1
245.09592	3.4
246.06825	4.2
247.07504	17.8
247.09724	14.7
248.08217	15.2
249.05412	4.3
249.09035	5.6
250.06256	2.9
251.07066	2.6
251.10587	4.9
254.05711	5.2
257.04340	2.7
258.06622	2.4
259.07666	3.7
261.09119	6.5
262.06476	3.2
262.09906	5.2
263.07126	5.3
263.10626	11.3
264.07870	10.4
265.08575	7.6
266.05536	2.9
267.06570	6.7
268.03690	3.1
269.08057	14.8
271.09595	6.5
272.06775	2.4
275.07013	9.3
276.07861	11.9
276.29639	2.4
277.08582	8.4
279.10254	14.6
281.08130	3.6
282.05521	3.1
282.08823	14.7
289.08615	2.8
290.09354	6.7
291.10156	20.0
292.07242	7.4
293.08096	12.9
293.10931	2.4
299.09058	4.1
300.09964	2.3
304.07227	2.9
305.08096	5.7
305.11581	3.8
307.09619	14.9
308.10367	8.0
309.07571	2.4
310.08334	4.9
311.12735	3.9
315.08633	59.4
319.09598	10.8
321.07538	6.8
321.11020	2.7
322.08542	3.6
323.12903	17.7
324.10010	2.8
325.10782	4.3
328.09177	5.0
330.11002	63.9
331.11725	13.5
335.09146	3.4
336.09842	6.2
337.10675	7.5
339.12140	12.2
343.11737	23.1
351.08603	3.1
351.12320	32.5
352.12875	6.2
353.10263	11.4
356.12485	5.4
368.12524	13.9
371.14731	4.3
383.14890	100.0
384.15115	5.3
401.16248	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	401.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01864	2.5
60.01331	1.8
65.03944	2.3
67.05517	2.6
69.03431	4.1
69.53700	12.8
70.06582	3.7
72.08146	3.9
79.05492	10.4
81.07077	2.7
84.08100	1.9
85.02892	4.8
86.09727	5.6
91.05498	7.2
95.04984	4.4
103.05463	7.1
105.07037	2.1
107.04945	13.2
109.06506	3.8
111.04425	2.0
111.86662	2.0
115.05473	7.9
116.06263	2.2
117.05758	4.8
118.06557	4.8
122.03573	2.1
123.04443	6.4
124.05219	2.4
125.05979	2.4
128.06230	2.5
129.07014	4.3
130.06544	43.2
131.04956	3.0
131.07289	6.4
131.08578	5.3
132.08095	8.1
133.02849	4.9
133.06483	2.2
137.05939	3.5
139.03905	2.4
140.04692	5.4
141.06982	2.8
143.07343	5.5
144.05721	3.3
144.08073	8.0
145.06459	4.0
146.06020	19.3
148.05222	2.5
152.04684	2.3
153.05464	7.0
154.06488	3.4
155.07068	6.7
156.05705	7.4
156.08110	8.5
157.06442	2.6
157.07664	4.2
158.06026	55.8
158.07283	5.0
159.06793	25.8
159.08092	8.2
160.07600	40.8
161.47311	2.4
165.05473	4.0
167.03406	3.7
167.07043	39.3
172.07591	5.9
173.06003	3.5
173.08405	3.5
175.08714	11.5
177.05411	4.1
179.07106	2.6
180.07774	2.4
181.04984	33.1
184.07596	5.9
186.06744	3.2
187.07542	3.8
189.06990	2.6
191.07043	2.6
191.08592	4.8
193.08650	2.5
195.06511	2.3
202.06149	2.7
202.07903	3.0
203.08611	3.7
205.06502	5.3
205.08653	7.0
207.06525	4.0
207.08273	2.6
208.05200	3.6
208.07188	4.4
216.01628	2.2
217.08549	16.1
218.07301	2.8
219.08084	13.0
219.10063	4.5
220.08862	5.9
221.05949	4.7
229.08598	8.0
231.08073	9.0
231.10172	2.4
233.06059	3.2
233.09581	6.2
235.07513	3.4
236.08366	5.3
237.09064	3.4
245.09500	3.0
247.07547	15.0
247.09767	8.5
248.08269	10.8
248.10712	4.5
249.05435	2.5
249.09221	2.8
251.10680	4.4
253.08553	2.2
256.07376	2.6
259.07550	3.3
262.09848	2.7
263.07120	5.4
263.10718	9.1
264.07758	10.5
265.08585	5.0
269.08115	6.5
271.09650	2.9
275.07031	7.3
276.07761	4.9
276.10400	4.5
277.05438	2.6
277.08502	4.7
278.08395	3.3
279.10220	10.5
281.08057	3.7
282.08798	5.1
289.07532	2.9
290.09167	4.0
291.10153	14.1
292.07278	5.3
293.08011	8.3
295.79758	1.9
296.10333	3.2
299.09262	2.1
304.09790	14.8
307.09680	13.9
308.09921	3.5
308.13037	4.7
310.08133	2.3
311.12796	2.9
315.08554	16.1
316.09506	3.6
319.09610	5.9
321.07419	3.5
323.09280	2.8
323.12723	11.5
325.10812	3.8
328.09012	2.9
330.10916	15.7
331.11755	4.1
336.12363	85.4
337.10764	6.9
339.12366	11.8
343.11749	6.6
348.12311	3.0
351.12341	15.8
352.12906	3.0
353.10184	8.2
353.14816	3.3
354.13403	16.8
356.12610	2.7
366.13138	2.4
368.12527	11.4
371.15015	6.1
383.07449	2.6
383.14944	75.5
384.14432	100.0
401.17096	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	401.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
53.58495	3.4
55.01883	25.8
55.05516	40.6
56.96549	3.8
57.03449	26.7
57.07062	4.6
59.89390	3.9
65.03940	10.4
67.05511	77.7
69.03421	5.7
69.07076	45.9
71.05000	9.4
71.19903	6.4
71.20252	5.7
75.81601	3.5
79.05500	75.7
81.03419	18.1
81.07064	100.0
81.17730	3.9
83.04985	21.3
83.08612	17.4
85.02879	10.6
91.05486	70.9
93.07060	66.1
95.04984	22.1
95.08621	45.9
97.02867	4.2
97.06505	6.0
97.10162	14.8
98.25397	3.6
99.04463	7.7
103.05464	5.0
105.07046	66.9
107.04962	23.1
107.08605	35.9
109.02886	6.3
109.06518	14.3
109.10167	27.3
111.04424	17.5
111.08093	15.4
117.01090	6.3
117.07030	26.6
119.08590	49.4
121.06535	21.6
121.10139	34.5
123.08073	68.4
123.11672	3.6
123.23611	3.6
125.09610	13.9
127.03918	5.1
129.06979	15.0
131.08574	34.3
133.00577	7.2
133.06512	6.5
133.10155	25.1
135.08041	15.6
135.11699	14.6
137.09605	15.3
140.38034	3.6
142.65349	3.5
143.08586	11.6
144.37306	3.9
145.00526	5.5
145.02823	6.5
145.06448	6.5
145.10118	26.3
147.08058	25.0
147.11697	12.8
149.09616	20.7
149.13231	5.1
153.09126	6.3
155.08653	4.2
157.10112	13.5
159.08096	5.9
159.11743	16.5
159.74352	3.5
161.05963	4.5
161.09628	15.1
161.13298	5.3
163.11176	10.7
165.09081	7.6
167.07047	12.0
170.19264	4.0
171.10214	9.5
171.11668	7.1
173.07272	4.9
175.11194	7.7
177.05470	10.7
181.05014	5.4
185.13292	7.9
189.11267	9.6
193.12305	4.8
197.07277	7.2
197.13387	4.2
223.13394	5.0
227.17909	4.4
237.16447	6.2
245.19064	4.6
255.17552	7.6
273.18472	57.0
291.19553	95.3
308.81219	3.8
309.16226	9.7
369.13165	7.7
383.14868	11.9
401.20715	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
53.18891	3.6
55.05507	12.3
57.05747	4.7
57.07057	9.5
63.53893	3.7
67.05502	27.4
69.07059	17.9
69.44263	8.4
69.44679	24.9
71.05014	9.5
71.08592	4.9
79.05497	31.7
81.07069	40.5
83.08632	7.4
91.05479	50.1
93.07055	58.5
95.04951	10.3
95.08622	38.2
95.20531	4.0
97.02879	6.2
98.12958	4.4
100.56582	3.9
105.07035	98.5
105.07742	4.8
107.08597	46.1
109.06534	63.8
109.10171	15.8
111.08108	8.8
112.96720	3.8
115.05459	5.1
116.06252	4.5
117.07041	31.5
119.08592	96.9
121.10132	23.9
123.11751	6.6
128.06184	20.5
129.06987	26.7
130.07817	11.3
131.08572	81.8
133.10150	83.6
135.08057	11.6
135.11671	23.5
137.09612	6.5
140.60918	4.1
141.07007	14.7
142.07800	27.4
143.08554	48.7
144.09363	9.1
144.82018	3.9
145.10135	100.0
147.08083	8.2
147.11699	20.9
153.07071	4.2
155.08585	22.2
156.09363	23.4
157.10147	63.4
158.10939	16.0
158.75034	4.2
159.11694	31.6
161.13280	8.8
165.07039	11.9
167.08578	12.3
168.09354	10.9
169.10179	24.5
170.10854	11.7
171.11740	32.0
173.09688	4.9
173.13275	42.2
175.14862	19.5
179.08571	13.3
180.09454	5.7
181.10130	18.4
182.10904	8.3
183.11723	22.1
185.13286	17.3
187.14861	41.2
192.09442	6.6
193.10049	9.4
194.10968	6.7
195.11720	18.5
197.13210	20.9
198.13921	4.8
199.14862	20.0
201.12775	6.5
206.10950	8.4
207.11691	15.4
209.13290	25.6
211.14871	10.8
213.12822	5.9
220.12643	6.0
221.13260	17.8
223.14856	10.3
225.16391	4.8
235.14784	6.5
237.16296	9.7
245.13519	6.4
247.14818	5.9
251.18013	8.3
261.16422	5.8
263.17871	5.5
265.19510	6.8
267.54236	4.0
275.17929	4.7
317.22464	4.1
401.27887	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.5
55.05516	54.7
56.96551	20.0
57.03431	25.7
62.82122	11.4
64.94016	9.5
65.62167	9.1
67.05513	71.0
69.03433	11.4
69.07069	100.0
70.06589	13.2
71.04984	13.2
71.60036	11.6
79.05495	88.6
80.10237	9.8
81.07056	75.9
83.05007	12.0
83.08604	20.3
91.05468	55.3
93.07066	64.3
95.04967	19.1
95.08603	44.5
97.06554	13.0
97.10154	37.4
105.07037	60.6
107.08582	66.0
109.06511	16.2
109.10155	20.7
114.44509	10.9
117.07050	13.8
119.08589	50.5
121.06475	12.2
121.10149	34.2
125.09621	31.1
129.06992	12.0
130.37358	9.2
131.08556	37.7
133.10103	55.8
135.11717	19.7
143.08560	12.7
143.37779	11.0
145.10118	28.4
147.11694	27.6
159.11635	23.4
171.10092	11.6
189.11255	15.1
189.16295	11.5
227.12746	18.2
229.14388	13.9
245.13799	17.3
257.18988	18.2
268.19235	15.1
269.17529	25.5
275.20020	51.1
286.20065	36.1
349.23657	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.5
55.05519	47.5
56.05027	12.9
56.96555	12.1
57.03425	20.5
64.79881	7.7
66.39561	8.0
67.05512	86.1
69.03444	14.5
69.07068	74.5
69.28468	19.0
69.28863	75.1
71.04964	9.0
79.05493	94.2
81.07057	100.0
83.04979	16.1
83.08610	40.1
91.05476	72.0
93.07046	74.6
95.04935	14.9
95.08629	47.0
97.02896	12.8
97.06507	29.5
97.10165	38.8
98.97614	9.2
99.08089	9.2
105.07034	58.9
107.04958	10.9
107.08612	60.0
109.06517	12.2
109.10162	25.0
111.08100	10.5
117.07010	32.0
119.08566	43.1
121.06585	8.2
121.10139	32.4
125.09609	38.8
129.06950	9.9
131.08551	28.0
133.10104	28.9
135.08047	15.9
135.11702	27.5
145.10127	29.8
147.11707	13.0
149.09596	23.7
149.13229	18.6
150.76411	8.3
159.11719	32.7
161.13176	14.1
167.07069	10.2
171.11641	10.1
177.12820	14.7
181.04956	16.6
189.11200	19.4
194.15358	10.9
195.13905	11.1
198.72240	8.7
227.12698	20.4
229.07458	14.2
229.14336	11.0
247.50093	7.7
257.18991	19.3
269.17432	32.5
275.20163	47.3
286.20169	53.1
349.23792	46.2
366.26367	14.1
384.27481	15.0
406.53366	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09833	9.1
55.01881	11.3
55.05510	28.7
56.96602	9.4
67.05505	49.5
69.03416	12.5
69.07057	23.4
69.25077	69.6
69.25500	31.0
79.05494	56.0
81.03381	10.9
81.07057	100.0
83.04987	14.9
83.08599	17.2
91.05488	57.8
93.07053	55.3
95.04962	10.1
95.08614	36.5
98.21537	14.8
104.34965	10.4
105.07034	42.6
107.04945	12.2
107.08590	21.1
109.06524	29.5
109.10145	14.0
119.08603	28.7
121.10095	13.1
123.08018	10.6
131.08580	37.1
133.10120	43.7
135.11696	17.3
145.10120	21.4
147.11754	23.7
147.48048	10.1
149.09677	17.1
149.13335	13.4
150.29340	10.5
159.11693	14.8
163.11208	11.6
181.04918	17.5
193.05479	9.7
241.40961	9.4
275.20126	92.3
293.21118	25.4
316.11874	10.3
349.23831	77.1
365.50052	10.1
367.24673	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27040	3.5
55.05515	3.9
69.07058	9.7
70.77248	7.1
70.77583	6.8
71.08650	4.4
79.05498	6.1
81.07060	7.0
83.08611	8.6
90.88907	3.3
97.10188	4.3
107.04967	4.8
108.05762	8.1
108.22662	3.4
109.06534	9.4
111.04130	3.8
121.06488	15.4
126.16110	4.0
136.05217	24.4
137.05988	99.0
137.07039	4.7
138.06789	41.2
149.06033	5.4
149.09613	5.3
150.06731	10.4
159.08073	3.7
162.50305	3.6
163.07594	4.6
177.09154	68.0
237.25673	3.7
239.60597	3.5
309.52966	3.4
340.05252	4.0
360.08237	4.5
374.94232	3.9
402.34976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22828	2.4
52.68299	2.3
56.34843	2.5
58.51788	2.5
60.54012	2.4
70.73930	7.6
83.86874	2.6
118.02041	2.6
359.10974	10.5
403.10010	100.0
403.15051	5.5
404.10217	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	403.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
53.19107	1.9
56.96566	30.1
67.05495	2.4
69.03424	4.6
69.07079	2.7
70.06581	7.1
71.59300	2.3
72.08158	23.9
73.51364	2.0
74.97626	11.0
76.24543	1.8
79.05481	5.2
81.03417	2.3
81.07040	2.2
84.04504	2.5
84.08139	4.9
84.96039	6.1
85.02903	6.4
86.09704	20.4
86.97610	6.1
89.03892	2.4
90.41283	2.3
93.07047	2.2
95.42305	2.4
96.80626	1.8
97.02896	2.8
98.36639	1.9
98.97587	61.1
107.04970	7.4
109.02853	3.0
110.07150	4.3
110.97552	13.4
112.99145	8.0
115.05459	3.0
116.98628	19.0
121.06538	3.8
124.99104	2.8
127.03940	4.4
128.98637	12.7
129.10240	3.0
131.00189	5.6
131.32080	2.0
134.94873	1.8
134.99651	5.4
140.98611	3.2
143.00175	6.3
144.98080	3.6
145.02806	2.4
146.99660	4.2
149.01295	2.5
150.75990	2.4
151.03885	2.1
152.98584	8.4
154.76274	2.1
155.07010	3.2
156.08003	3.6
158.06033	3.2
158.99667	22.8
160.07622	10.3
161.01208	4.1
161.09277	2.6
163.03929	6.9
164.04274	3.9
167.07074	16.3
170.99672	7.5
173.01265	4.9
173.04845	4.9
177.00679	15.7
179.08481	2.4
181.04939	4.2
181.08681	2.6
181.12218	2.2
182.99852	2.0
184.07632	10.3
189.00728	2.6
191.02281	3.2
197.04837	4.5
201.00746	6.3
207.06520	2.7
214.08667	4.2
215.05920	7.8
219.01764	44.1
237.02797	47.6
241.09987	2.1
257.07126	4.1
261.64038	2.7
294.90793	2.5
299.07950	6.2
308.15750	2.6
317.09079	100.0
335.10107	48.2
338.13898	4.6
343.12122	3.2
350.13916	3.1
359.10223	29.3
368.14813	6.7
377.11176	4.1
385.15601	2.2
386.16187	2.8
403.09988	71.7
403.15466	16.4
403.19473	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	403.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	34.3
57.03437	2.8
69.03423	5.0
70.06604	11.9
70.07988	9.2
72.08151	26.1
73.02905	2.4
74.97594	10.9
79.05496	3.7
81.03440	2.1
81.07069	3.4
84.04483	3.7
84.08138	3.8
84.96027	8.8
85.02911	5.6
86.09697	22.8
86.97590	4.4
89.03899	2.4
90.43327	2.4
93.07021	3.4
97.02865	3.9
97.06570	2.9
98.97591	60.3
105.06989	4.3
107.04955	6.8
109.02921	2.9
110.07201	2.7
110.97542	12.0
111.04422	2.3
112.99143	6.8
116.07046	2.5
116.98627	20.9
124.99171	2.1
127.03838	3.0
128.98570	12.3
129.06921	2.5
129.10281	3.8
131.00174	6.7
134.99670	4.1
143.00131	8.6
144.98024	2.7
145.02832	3.4
149.01173	4.2
152.98613	6.5
154.84077	2.3
158.99655	27.0
160.07590	10.4
161.01222	4.7
163.03940	6.4
167.07024	11.2
170.99649	7.3
173.01190	3.3
173.04898	6.5
177.00722	14.7
177.05453	3.3
181.05003	2.8
181.08589	6.5
184.07527	10.6
189.00746	4.2
197.04758	2.7
201.00703	7.8
214.08638	2.8
215.05916	10.2
219.01756	39.9
223.13161	2.8
237.02850	44.3
257.06970	4.2
261.64050	3.0
291.07404	3.3
299.07782	4.1
317.09064	100.0
318.09494	2.9
319.11945	3.2
335.10120	56.7
338.13766	4.5
359.10150	27.3
368.14969	5.2
377.11215	3.8
385.15463	4.1
386.15955	4.8
403.10178	54.4
403.15573	17.0
403.20020	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	403.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
56.96567	4.5
62.73613	1.6
62.84042	1.1
63.02384	1.6
63.93006	1.2
65.03958	1.8
67.05493	1.6
69.03439	2.3
70.06581	3.7
70.32604	1.2
70.91629	2.8
72.08154	3.5
74.06046	1.2
78.04737	2.4
79.05502	12.0
81.03450	1.6
81.07050	1.3
84.04539	1.2
84.08157	2.7
84.96055	1.8
85.02910	2.6
86.09718	3.8
89.03911	9.6
91.05502	5.2
93.07047	4.2
95.04993	3.0
98.97588	11.4
103.05495	6.4
105.07063	3.2
106.04203	1.6
107.04955	28.1
110.97560	3.5
112.99156	2.0
113.63112	1.3
115.05454	7.8
116.98636	3.5
117.03391	8.1
117.05769	4.5
118.06543	2.6
119.04988	1.7
120.05784	1.6
121.06531	8.7
123.04458	2.0
124.05232	5.5
125.06007	2.7
128.98625	2.7
129.07031	12.7
129.10213	1.6
130.06523	12.2
131.04932	2.8
132.04468	1.9
132.08099	12.8
133.06496	3.6
135.04431	13.2
136.04730	1.7
142.06534	1.5
143.00175	1.5
143.07349	2.7
144.08107	5.4
145.02870	9.8
145.06538	2.0
146.05966	6.1
147.04433	1.9
148.07607	3.5
149.06020	4.1
151.03969	2.2
152.04733	2.3
153.05562	2.1
154.06570	4.2
155.06177	1.6
155.07246	6.6
156.08099	30.3
157.07629	1.9
158.06003	14.9
158.09653	8.6
158.99722	3.2
159.06812	3.1
160.07588	80.9
161.09251	1.7
163.03917	53.9
164.04340	2.7
166.06313	5.2
167.07056	82.7
168.08090	2.6
170.06067	5.0
172.07585	11.6
173.04861	3.7
175.06427	1.4
175.08687	5.3
177.00821	1.8
177.05453	2.8
181.08604	35.9
183.06816	12.3
184.07587	100.0
185.07938	1.3
186.09154	14.7
189.10229	4.8
190.12213	1.3
196.07561	6.0
200.07085	1.4
201.00790	2.1
201.10300	2.2
202.08643	3.1
207.06520	1.5
209.08107	2.4
214.08649	23.1
219.01744	11.1
231.11284	5.5
237.02853	9.0
258.09097	2.5
269.33215	1.3
275.09421	1.8
276.10321	2.3
280.02744	1.5
286.08667	2.0
288.10324	2.4
290.11676	2.3
292.09708	1.8
303.09061	2.9
304.09637	2.4
305.10306	1.8
306.11218	3.1
317.09012	10.6
318.11356	10.3
319.12106	24.7
322.10800	1.9
324.12238	1.7
335.11096	2.5
337.11844	3.0
338.10382	2.2
338.13885	42.9
339.14224	1.7
350.13867	22.4
351.72964	1.4
352.11581	1.9
356.14938	2.4
359.10434	1.7
368.14954	73.0
369.15335	2.4
386.16006	34.9
403.10251	2.2
403.14633	8.4
403.19327	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	404.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.96575	0.8
58.99596	4.4
66.17261	0.7
67.05509	0.7
69.03443	1.7
69.07063	1.5
70.06581	1.0
71.58980	0.7
71.59370	0.9
76.02229	29.2
79.05490	2.8
81.07059	0.7
84.04509	9.3
84.08147	1.5
85.02903	3.3
86.09698	1.5
86.99049	1.6
95.04967	0.9
97.02913	1.5
97.06537	26.0
98.97569	1.8
107.04990	0.9
113.97076	0.7
114.03769	0.8
116.01697	6.4
116.98644	0.7
127.03936	1.1
130.05037	4.0
142.03255	2.8
144.01155	3.2
145.02849	1.1
145.04889	0.7
162.02202	11.8
162.03426	1.0
163.03964	1.8
177.05472	3.0
179.04868	20.7
193.69296	0.8
202.09192	1.5
220.10309	1.2
221.05103	1.3
224.09056	0.9
233.05980	6.2
242.10072	5.5
245.06004	1.7
254.54520	0.7
275.09967	1.3
287.11002	8.4
291.06445	0.9
305.10895	0.8
308.09134	6.2
333.11533	2.4
395.12296	0.7
404.15298	100.0
405.15277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19775	0.8
52.25957	0.7
57.03429	3.3
58.53808	0.8
65.03995	0.8
67.08683	0.7
69.30723	6.6
71.55090	0.6
73.02923	0.9
75.04487	2.0
76.86736	0.7
85.02903	2.9
86.06229	0.7
91.05486	100.0
92.05830	1.1
95.01346	2.1
113.02358	1.1
131.03366	1.0
137.05975	8.1
141.01852	5.6
177.70284	0.7
193.08618	50.9
194.09116	0.7
211.09674	17.5
212.10240	0.8
214.44937	0.7
229.36662	0.8
339.00400	0.7
369.11716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.0
65.03942	0.6
67.05515	0.4
69.03436	0.7
70.06600	0.8
71.05013	0.5
71.15678	0.7
71.16006	0.4
72.50790	0.4
73.02932	1.8
75.04494	2.1
76.14135	0.3
79.05507	0.6
81.03429	0.4
81.07053	0.7
84.04506	0.9
84.90144	0.3
85.02916	2.9
86.09713	0.8
91.05486	100.0
92.05842	1.2
93.07046	0.7
95.01334	2.9
95.08614	0.5
96.32129	0.3
97.02909	0.9
98.97575	1.2
99.00797	0.4
107.08620	0.6
109.06505	0.4
111.08128	0.5
113.02386	0.8
116.98681	0.5
119.04982	1.9
119.08633	0.5
121.10216	0.6
126.17129	0.4
127.03943	0.4
137.05983	6.8
141.01845	5.0
146.11827	0.4
147.04463	0.8
147.19557	0.4
149.74123	0.4
167.07112	0.9
170.99652	0.6
175.03946	1.4
193.08620	42.0
194.09004	0.9
207.06520	3.2
211.09654	15.0
213.04260	0.4
219.01808	0.6
307.10577	0.5
351.10883	0.8
369.11829	1.4
386.25491	0.6
405.17273	6.1
421.13693	0.6
421.95398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69249	0.6
56.96566	13.2
67.05496	0.7
67.99648	0.7
70.57056	0.6
71.20425	0.9
71.20751	0.8
71.95264	2.2
78.83280	0.6
79.05479	0.7
81.07073	0.8
84.96006	0.6
91.05471	0.9
94.04175	1.0
96.98451	0.6
98.97589	100.0
115.39265	0.6
116.98627	50.9
122.03640	4.1
134.98639	0.9
134.99664	15.8
137.05983	41.0
138.06331	0.8
140.00218	4.9
152.61266	0.6
153.00699	1.1
158.01280	1.5
160.99104	0.6
165.74426	0.7
172.72127	0.5
179.00189	2.0
191.31117	0.7
193.01787	1.1
197.01276	1.7
198.02002	0.6
208.10175	0.6
211.02730	0.7
220.00459	2.2
221.06085	0.6
224.09593	1.3
226.11174	18.5
226.13292	1.3
235.02788	65.8
236.03094	1.2
238.01540	1.9
242.10635	1.0
244.12201	7.1
249.12813	1.0
253.03853	79.8
254.04111	1.0
268.12201	3.3
271.04901	2.9
273.12289	0.6
276.05426	8.2
280.12296	1.9
326.76770	0.7
329.13107	1.9
344.15305	7.4
362.16245	1.3
404.17468	66.8
405.17575	2.1
405.22305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86270	14.2
55.04430	13.4
61.02939	17.5
67.05507	41.0
69.03421	44.0
69.07071	23.5
69.66836	100.0
70.06592	42.5
71.05003	20.9
72.08168	28.1
79.05486	17.9
81.03423	20.3
81.07055	31.0
84.04491	34.2
84.08122	22.7
85.02932	80.7
86.09705	44.0
88.07657	15.6
91.05495	38.3
93.07027	25.0
94.28705	13.9
95.08617	45.8
97.02900	14.4
98.21458	32.5
98.37471	15.2
98.97577	27.2
99.04448	28.5
104.34708	14.7
105.03368	15.9
105.07029	28.3
107.08591	20.0
110.06117	13.1
119.04975	21.9
119.08577	34.9
121.10172	33.3
123.08093	21.8
127.03925	32.2
131.08598	22.3
135.08089	29.3
135.09145	18.5
135.11633	22.8
138.09207	17.2
147.04416	28.2
147.11674	16.3
149.09598	23.9
152.07060	20.5
167.07042	37.2
171.11716	29.0
175.03917	29.7
177.05525	14.1
181.04964	20.9
189.12784	30.0
207.06485	79.5
207.13858	92.2
224.16438	23.0
242.14674	20.0
242.17395	27.1
301.90643	16.4
302.90948	15.1
405.17493	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49647	3.0
53.03969	3.0
55.05504	6.4
67.05511	6.2
69.03429	5.5
70.00546	14.8
79.05512	5.0
81.07056	8.1
83.04991	7.1
85.02922	15.7
91.05480	11.9
93.07014	5.2
95.04957	5.6
95.08614	7.1
97.02876	3.8
98.97542	4.6
99.04443	3.0
103.05476	3.6
105.07034	9.0
107.04932	3.8
107.08590	8.4
109.06529	10.5
111.08039	5.8
119.04932	3.1
119.08598	6.0
121.06614	3.4
121.10123	12.1
123.08054	6.9
123.11700	13.5
124.05238	4.0
132.28485	3.6
133.06482	3.4
133.10161	4.3
137.06000	3.9
137.09631	24.9
147.11702	11.6
149.09656	6.5
161.13313	6.6
163.07620	4.4
165.12766	100.0
167.07092	23.2
179.14294	8.8
181.05028	4.3
189.12740	13.2
193.08513	4.0
207.13762	40.3
256.06787	4.9
284.06467	3.7
338.07452	4.9
360.17340	6.9
368.08340	10.6
404.10495	4.1
404.15750	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	26.7
55.05501	54.8
56.96566	36.3
57.03431	32.6
57.07055	16.1
59.54653	18.5
64.85187	16.8
67.05506	82.7
69.07053	65.3
69.68354	100.0
79.05495	76.9
81.07057	78.8
83.04935	27.7
83.08611	34.8
91.05473	51.4
93.07038	94.0
95.04959	54.9
95.08608	75.1
97.10149	29.4
98.97575	23.2
105.07021	39.7
107.08605	49.2
109.10159	57.0
113.55964	15.7
117.07092	18.9
119.08529	39.7
121.10150	33.9
122.10448	19.5
125.09655	21.8
131.08537	22.7
133.10156	25.0
135.11717	21.2
137.09627	25.9
163.11113	20.9
187.26843	19.6
189.11247	22.8
223.13248	17.4
239.52849	15.9
255.96005	17.5
277.21649	68.6
293.21149	40.9
294.21350	52.0
295.22641	29.3
347.15515	26.6
351.25375	49.9
369.26343	77.7
387.22223	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	41.3
56.96583	42.8
57.03435	22.7
60.01330	7.6
61.02917	15.3
65.03944	8.7
67.05517	97.0
69.03439	11.6
69.07065	42.2
69.70074	50.7
71.05003	9.9
71.08629	24.5
71.70201	7.7
79.05505	69.5
81.07060	100.0
83.04992	18.1
83.08617	24.7
84.21068	7.7
85.06519	9.9
91.05473	57.8
91.31826	8.5
93.07047	83.0
95.04981	23.0
95.08603	58.1
97.06542	18.4
97.10171	22.1
99.08106	20.2
105.07041	35.1
107.04980	8.2
107.08625	39.1
108.48508	7.2
109.10150	36.8
114.19240	8.4
117.07049	16.0
119.08576	23.2
121.06485	7.7
121.10170	25.2
123.11685	12.0
125.09604	12.8
129.06960	8.2
131.08609	11.9
133.10126	25.5
135.11743	16.1
145.10136	20.1
147.11674	14.9
149.13248	22.1
151.11269	11.0
159.11685	30.8
161.13287	18.6
163.11238	13.6
173.11821	18.1
177.12782	24.1
179.14258	12.5
189.11249	9.6
195.13841	22.2
201.47319	9.2
227.12744	17.5
229.14400	28.4
245.79626	9.5
269.17459	82.9
277.21591	27.7
286.20099	12.0
317.10281	11.9
335.11560	11.3
351.25266	36.8
405.22549	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	10.6
55.05511	65.6
56.05019	15.5
56.96559	12.0
57.03438	16.8
67.05509	100.0
69.03432	22.7
69.07066	32.6
71.08622	50.3
79.05487	63.1
81.03408	14.7
81.07064	81.9
83.08615	43.5
86.69418	9.2
91.05485	55.8
93.07030	60.0
94.11638	13.1
95.04950	18.8
95.08604	30.3
97.06522	11.7
97.10144	52.3
99.08092	39.7
105.07036	32.9
107.08588	36.7
109.10168	20.8
111.08071	16.1
117.06995	18.5
119.08579	26.1
121.10150	13.0
125.09627	43.0
133.10153	22.6
135.08046	12.6
137.04472	12.5
140.14362	55.6
143.08508	13.1
145.10023	13.3
147.04411	20.7
147.11606	19.0
159.11676	21.0
161.13312	19.7
171.07234	12.2
173.11775	26.5
173.13310	11.9
175.14977	11.9
176.49200	10.5
177.12729	11.1
179.14438	10.6
185.13257	13.1
189.11243	24.9
195.41306	10.3
227.12814	25.6
229.14308	19.3
245.13908	14.2
269.17505	20.5
277.21616	38.9
286.20203	33.2
351.25208	36.8
367.17752	16.5
368.23260	14.6
368.27997	18.4
404.32669	13.6
405.22180	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1183
Annotation	Conyzatin
Peak:m/z	Relative Intensity
53.03925	0.6
55.05502	0.8
56.96529	0.6
57.62835	0.5
65.03928	0.8
66.51127	0.4
67.05477	1.3
69.03411	0.6
69.07045	0.6
70.06566	0.5
70.80696	1.3
71.04964	0.4
72.22196	0.5
76.63880	0.4
78.04687	1.8
79.05480	2.6
81.03384	0.8
81.07030	1.8
81.52351	0.4
83.04962	0.6
83.08598	0.4
84.08183	0.4
85.02861	1.0
85.74908	0.4
91.05490	2.7
91.96829	0.4
93.07019	1.4
95.04951	1.1
95.08593	1.6
97.06521	1.0
98.97661	0.5
103.04913	0.4
103.05466	3.4
105.07025	4.3
106.04176	1.0
107.04946	4.8
107.08586	1.1
109.06511	0.7
111.04434	0.6
112.34064	0.4
114.27563	0.4
115.05450	1.2
117.07033	0.8
117.29718	0.4
118.04111	0.6
119.04935	0.7
119.08566	0.9
121.06487	1.4
121.10180	0.6
122.06026	0.9
123.04416	3.6
123.08077	0.9
124.05200	1.7
125.05962	0.5
127.03913	0.4
129.06982	1.2
131.04935	3.8
131.08531	1.0
133.06483	3.3
133.10091	0.6
135.04408	0.8
135.08054	0.9
137.02301	0.5
137.05991	3.2
139.07590	0.6
142.69238	0.4
143.08542	0.4
144.05719	0.7
145.06444	1.6
145.10080	0.6
147.04388	1.6
147.08067	0.5
149.05960	1.1
151.03882	1.6
151.07550	2.0
152.04674	1.5
153.01810	1.7
154.02591	1.0
155.65550	0.4
157.10139	0.6
159.08086	0.7
161.06024	3.8
163.03900	0.6
163.07544	7.2
167.07040	45.5
171.11621	0.6
173.05917	0.7
173.09692	0.4
175.07562	1.1
177.09076	1.2
178.02635	0.9
178.94066	0.4
179.07082	2.3
181.04916	1.2
181.08583	1.6
185.13164	0.4
187.07478	0.8
193.08600	9.3
195.62703	0.4
201.09109	0.5
205.08562	0.5
207.06615	0.5
219.10150	0.9
233.08188	0.9
233.11649	1.1
242.05730	5.8
253.05028	0.7
255.06543	3.3
256.07312	1.4
258.05255	5.5
269.04382	0.7
270.05237	18.9
273.03894	2.7
283.05511	0.4
284.06732	1.1
285.04019	0.9
286.04712	2.6
287.05466	8.6
295.13431	0.5
299.05429	4.6
301.03519	3.7
302.04184	5.5
313.03406	2.8
315.04977	73.9
316.05713	8.7
323.12808	1.0
329.06470	1.1
331.08112	100.0
332.08417	2.5
355.15448	1.5
405.11795	78.3
406.12131	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	405.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	0.5
55.05500	0.5
65.03929	0.5
66.04713	0.3
67.05503	0.8
67.87687	0.3
69.03442	1.4
70.06595	2.2
71.04978	0.3
71.60051	0.4
72.08152	0.6
74.06095	0.3
78.04717	4.2
78.98251	0.3
79.05497	5.5
79.65569	0.4
80.05013	0.3
81.03407	1.1
81.07040	1.3
83.04974	0.5
84.04533	0.5
84.08156	0.7
85.02894	1.2
85.06538	0.6
86.09699	1.1
91.05485	3.6
93.07037	1.3
95.04984	1.6
95.08607	0.8
97.06509	0.4
98.06029	0.7
99.04463	0.8
103.05465	6.3
104.06248	0.4
105.03400	0.5
105.04494	0.4
105.07030	8.0
105.08101	0.3
106.04174	2.1
107.04961	8.1
109.02869	1.0
109.06524	0.7
109.10171	0.4
111.04458	0.3
111.08091	0.5
115.05463	2.8
117.07034	1.4
118.04160	0.6
119.04947	0.9
119.08581	0.5
121.06515	2.3
121.10128	0.4
122.03655	0.9
123.04435	8.6
123.08093	0.8
124.05218	3.6
125.05997	1.0
125.09618	0.4
127.03889	0.8
128.06221	0.8
129.06996	1.2
131.04930	8.0
131.08575	0.8
132.05647	0.3
133.06497	6.5
134.03645	0.7
135.04430	0.4
135.08069	1.8
136.05191	0.4
137.02455	0.3
137.05984	3.4
137.09485	0.3
138.03226	0.4
141.07013	1.3
143.04945	0.5
143.05997	0.5
143.08543	0.3
144.05692	0.9
145.06499	2.9
145.10115	0.4
147.04436	2.3
147.08025	0.8
147.45721	0.3
149.05989	0.9
149.09590	0.5
151.03935	2.1
151.07535	4.5
152.04671	3.2
153.01833	1.2
153.05460	0.9
156.05649	0.6
157.06502	0.6
158.07263	0.9
159.08031	0.8
160.05186	0.6
160.07593	2.1
161.05997	7.8
163.03912	0.4
163.07549	13.1
165.05580	0.5
165.09096	0.7
166.06276	0.3
167.07043	100.0
168.07326	1.5
169.06432	0.4
172.05165	0.4
173.05989	1.3
173.09669	0.4
175.07521	1.8
177.05276	0.3
177.09120	2.1
178.02664	0.6
179.07011	3.0
179.08519	0.4
181.04944	0.9
181.08627	4.2
181.12248	0.8
186.09157	0.6
187.07533	1.6
191.06993	0.5
192.07768	0.5
192.09386	0.3
193.08612	19.1
201.09132	1.0
203.08633	0.5
205.08624	1.3
207.10202	0.8
213.05482	0.4
217.08597	0.9
218.09395	0.4
219.08232	0.4
219.10100	2.0
220.08806	0.4
228.15840	0.4
231.08105	0.5
233.11781	1.1
237.11264	1.2
242.05742	3.7
242.22917	0.3
248.08311	0.6
255.06448	2.0
256.07251	0.5
258.05188	3.5
263.10730	0.9
266.09192	0.3
269.04526	0.5
270.05240	11.0
271.05618	0.3
273.04004	1.8
283.05933	0.4
284.06689	0.5
285.03940	0.8
286.04660	1.6
287.05524	5.7
291.10132	1.0
295.13367	0.8
299.05557	2.3
301.03479	3.1
301.06735	0.5
302.04199	3.4
312.06366	0.3
313.03436	1.7
315.04993	45.4
316.05704	5.7
323.12888	2.2
329.06506	0.5
331.08121	63.4
332.08463	1.6
346.04715	0.3
355.15417	2.9
387.18213	0.8
387.22675	0.3
403.19748	0.3
405.11807	46.5
406.12408	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28327	1.1
53.03938	2.2
55.01862	1.8
55.05515	2.6
56.96567	2.8
57.03432	1.7
61.02930	1.8
61.97570	1.1
65.03941	2.2
67.05505	3.3
68.38934	1.1
69.03452	1.2
69.07068	6.0
70.23297	5.0
71.59167	1.1
75.80287	1.0
78.04714	1.4
79.05502	7.8
79.05882	1.3
81.03416	1.8
81.07056	4.4
81.41849	1.4
83.04984	1.6
83.08623	1.4
83.51990	1.4
85.02882	2.4
91.05492	6.6
93.07045	4.1
95.04981	7.9
95.08582	2.2
97.02879	2.2
97.06567	1.3
98.21386	1.6
98.97618	1.6
99.04454	1.1
103.05494	3.3
105.07035	7.4
107.04961	32.0
107.08596	3.0
109.06552	1.5
109.10180	2.0
110.03683	1.6
115.05487	1.6
117.07012	2.1
119.08627	3.5
121.06512	4.7
121.10129	2.6
123.04454	13.6
124.05231	1.9
125.05984	2.0
130.07767	1.5
131.04955	1.8
131.08582	3.6
133.10172	1.6
135.08066	5.1
135.11723	1.6
137.05998	3.5
140.04718	3.1
143.08585	3.4
145.06523	1.7
145.10121	7.6
147.04445	3.1
151.03899	2.1
152.04703	3.0
155.07057	4.0
155.08493	2.7
158.07288	5.7
163.07553	6.4
163.11200	1.5
165.09099	1.3
167.07051	100.0
168.07382	1.8
173.09639	9.3
180.07884	1.6
181.04987	22.0
181.08577	10.0
183.06487	6.8
183.09300	1.3
184.89157	1.2
189.09088	1.9
191.10678	3.6
195.10207	15.4
195.96625	1.2
201.09111	17.4
219.10176	17.4
223.13318	3.5
231.27719	1.4
233.11708	7.8
251.12822	36.8
256.06540	1.1
264.08936	1.3
355.15439	1.6
405.22507	40.1
405.27695	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2245
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.01838	0.8
55.05504	1.2
56.96551	1.4
61.02917	1.2
67.05496	3.3
69.03416	1.1
69.07059	1.8
69.53872	3.7
69.87680	0.5
71.04977	0.5
73.02902	1.3
79.05480	2.0
81.07059	3.9
85.02889	1.3
88.00547	0.5
91.03943	0.7
91.05479	1.7
93.07046	2.7
95.04978	0.8
95.08625	2.6
97.02871	1.2
97.06541	1.2
98.21458	1.1
98.92200	0.5
98.97562	0.5
99.04430	0.7
101.02334	0.5
102.71905	0.5
105.07024	2.0
107.08597	1.4
109.06513	0.8
109.10146	2.0
112.28250	0.6
117.06980	0.9
119.08572	1.9
121.10121	1.5
123.08134	0.7
123.11679	0.7
131.08536	0.7
133.10110	1.4
135.11668	0.8
143.08583	0.8
145.10179	0.6
147.11694	0.8
149.09653	0.9
157.10110	0.7
159.11684	0.9
161.09604	0.5
161.13219	0.8
173.13246	0.7
175.14732	0.5
189.16365	0.6
196.71005	0.6
231.47528	0.6
320.76855	0.7
324.16626	1.5
341.24670	0.7
369.24304	1.0
405.22476	100.0
406.22913	3.1
429.24826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2249
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05508	0.8
56.96555	1.1
61.02915	0.6
67.05522	2.6
69.03436	0.5
69.07071	1.2
71.01008	0.9
79.05475	1.0
81.03446	0.8
81.07067	2.5
83.08596	0.9
85.02898	1.1
91.03957	0.5
91.05507	1.5
93.07039	1.5
95.04964	1.1
95.08608	2.0
97.06566	0.8
98.97611	0.7
105.07031	1.6
107.04971	1.3
107.08589	1.5
109.10192	1.3
118.59673	0.6
119.08625	1.4
121.06544	0.8
121.10207	0.7
125.44608	0.5
127.03950	0.6
129.07014	0.7
131.08559	0.8
133.06490	0.7
133.10152	1.0
135.11697	0.7
137.05983	0.9
145.10136	1.3
147.04433	0.8
147.11748	0.6
159.11699	0.9
161.13300	0.6
167.07079	4.5
179.07076	0.7
181.05051	0.9
182.05498	0.7
193.08607	0.8
251.12840	0.9
331.18326	0.8
361.12051	1.6
385.60214	0.7
405.22507	100.0
406.22937	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	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05511	0.9
56.96539	1.3
61.02935	0.5
65.03888	0.5
67.05485	1.8
67.28072	0.4
69.03427	1.1
69.05376	0.4
69.07061	1.2
70.58952	0.4
71.59797	0.5
79.05486	1.9
81.03400	0.8
81.07054	2.0
85.02885	0.8
91.05489	1.1
93.07025	1.9
95.04992	0.7
95.08606	1.6
97.02871	0.6
97.10168	0.6
98.97585	0.6
99.04431	0.5
104.98555	0.5
105.07036	1.7
107.04931	0.7
107.08583	1.4
109.06523	0.6
109.10147	1.5
117.06992	0.5
119.04919	0.6
119.08552	1.3
121.10125	1.3
126.35999	0.5
133.10123	1.1
135.11655	0.5
137.06039	0.6
143.08595	0.5
145.10101	1.0
147.04408	0.9
147.11626	0.5
149.09615	0.6
151.93172	0.5
157.10216	0.6
159.11639	0.7
161.09525	0.5
163.07538	0.6
167.07042	2.6
174.38768	0.5
177.05388	0.6
181.04993	1.2
181.08553	0.7
202.97319	0.5
255.09090	0.8
285.09955	0.6
344.66266	0.5
345.13358	0.7
405.22470	100.0
406.22855	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	405.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.2
55.05493	4.6
56.96552	2.2
57.07031	1.5
67.05492	4.8
69.03414	1.5
69.07044	3.0
69.22849	2.2
69.23257	8.7
79.05481	3.9
81.03404	1.3
81.07048	6.3
81.39454	1.0
83.04970	2.6
85.02895	1.2
91.05466	4.3
93.07024	3.9
95.04978	1.8
95.08609	5.7
97.10168	1.3
98.97562	1.2
105.07055	5.0
107.08560	3.7
109.06489	2.0
109.10137	2.9
117.07001	1.5
119.08566	3.6
121.10152	2.1
131.08551	3.1
133.10117	4.4
135.08058	1.3
135.11633	2.5
143.08556	1.8
145.10089	2.9
147.11633	2.6
159.11685	2.6
161.13266	1.4
163.11227	1.5
168.36348	1.0
169.04642	1.4
173.13345	1.1
179.10678	1.3
193.00107	1.0
211.09398	1.2
215.40169	1.1
227.12724	1.4
233.15324	1.4
307.15103	3.4
315.23187	1.1
331.18695	1.1
331.26355	1.9
335.14563	1.3
336.15613	1.6
349.16684	1.1
369.24258	1.7
387.21402	51.8
387.26334	2.7
388.21579	2.3
405.22403	100.0
406.22809	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	405.225
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05512	1.1
56.96571	3.0
66.75307	0.4
67.05505	0.9
69.03430	0.4
69.07069	0.9
70.00175	1.8
79.05485	1.3
81.07060	1.3
83.08624	0.5
84.28680	0.5
91.05499	0.7
93.07047	1.1
95.08586	1.3
98.20905	0.7
98.97586	8.9
99.97916	0.9
105.07016	1.1
107.08572	1.0
109.10172	0.7
116.98642	5.4
119.08548	0.9
121.10194	0.8
126.03989	0.5
133.10162	0.5
134.99666	1.4
136.67317	0.4
137.05992	3.7
138.06296	1.6
145.10162	0.5
145.25735	0.5
167.06970	0.5
193.58432	0.5
225.16293	0.4
226.11058	1.2
227.11385	0.6
235.02740	3.3
236.03117	3.4
245.12570	0.5
253.03865	5.1
254.04169	3.7
277.05878	0.7
345.15808	0.8
367.12924	0.5
373.10086	0.9
374.88135	0.5
387.21329	0.8
405.17920	7.0
405.22482	100.0
406.22903	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	405.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
56.96554	2.2
61.02911	0.7
65.02302	0.5
67.05509	3.1
69.07085	2.6
73.02914	0.7
79.05494	2.4
79.20392	0.5
81.03403	0.8
81.07049	2.9
83.04993	0.6
83.08620	1.4
85.02892	0.6
91.05481	2.5
93.07034	3.3
95.08637	2.7
97.10150	1.1
98.25615	0.6
98.97609	0.7
99.08077	0.6
101.02368	0.6
105.07026	2.2
107.08602	1.9
109.10170	1.9
115.05558	0.5
117.07041	0.9
119.08585	1.4
121.10144	1.7
123.08096	1.0
123.11714	0.6
131.08548	0.8
133.10141	1.2
135.11722	1.0
145.10135	0.8
147.04416	0.7
147.11758	0.9
149.02332	0.6
153.05505	0.6
159.11591	0.6
167.07045	1.1
171.11719	0.9
173.13217	0.6
218.11707	0.6
267.09088	0.6
285.10062	0.8
289.80750	0.5
367.17795	1.2
405.22476	100.0
406.22678	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	405.2252
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05501	1.5
56.96554	2.2
61.02911	0.7
65.02302	0.5
67.05509	3.1
69.07085	2.6
73.02914	0.7
79.05494	2.4
79.20392	0.5
81.03403	0.8
81.07049	2.9
83.04993	0.6
83.08620	1.4
85.02892	0.6
91.05481	2.5
93.07034	3.3
95.08637	2.7
97.10150	1.1
98.25615	0.6
98.97609	0.7
99.08077	0.6
101.02368	0.6
105.07026	2.2
107.08602	1.9
109.10170	1.9
115.05558	0.5
117.07041	0.9
119.08585	1.4
121.10144	1.7
123.08096	1.0
123.11714	0.6
131.08548	0.8
133.10141	1.2
135.11722	1.0
145.10135	0.8
147.04416	0.7
147.11758	0.9
149.02332	0.6
153.05505	0.6
159.11591	0.6
167.07045	1.1
171.11719	0.9
173.13217	0.6
218.11707	0.6
267.09088	0.6
285.10062	0.8
289.80750	0.5
367.17795	1.2
405.22476	100.0
406.22678	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	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33885	0.6
53.03959	0.9
55.01871	5.5
55.05516	8.8
56.05206	0.6
57.03441	5.2
57.07084	4.3
57.69679	0.6
58.27736	0.7
67.05508	6.4
69.07073	11.4
71.08633	2.9
79.05493	2.4
81.07063	7.2
83.08617	10.4
85.10191	0.9
91.05455	1.1
93.07049	3.8
95.08614	5.2
97.06536	2.0
97.10173	6.3
104.52256	0.6
105.07011	0.8
107.08604	3.4
109.10170	2.0
111.08054	0.9
111.11705	2.0
113.00020	100.0
121.10133	4.0
123.11725	1.6
135.11700	2.7
140.52818	0.7
149.13269	1.5
169.02618	93.4
219.21057	1.6
237.22166	5.8
248.42236	0.7
287.06259	0.7
323.19452	1.5
405.37531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01871	4.6
55.05516	8.2
56.96556	6.0
57.03436	4.0
60.87466	1.9
67.05509	21.3
69.03434	10.3
69.07079	14.4
69.62061	14.8
71.04979	5.1
79.05492	19.9
81.03416	7.3
81.07066	25.3
83.04967	6.7
83.08607	4.5
85.02905	4.4
91.05486	21.7
93.07049	25.9
95.04980	6.3
95.08605	21.0
97.02898	5.2
97.06569	4.9
97.10131	1.9
105.07026	21.8
107.04909	2.8
107.08582	11.4
109.06524	5.2
109.10167	7.9
111.04463	4.0
111.08066	3.3
115.05460	2.0
117.07011	7.3
119.08575	17.3
121.06459	2.3
121.10134	9.9
123.08047	4.6
123.11742	3.5
128.06259	2.3
129.06972	6.6
131.08565	12.3
133.06578	2.9
133.10156	17.6
135.08054	3.5
135.11693	9.6
142.07785	2.6
143.08542	6.8
145.06479	2.2
145.10086	14.4
147.08105	3.6
147.11671	8.3
149.13261	4.3
157.10162	6.0
159.11707	9.5
161.09674	4.3
161.13295	4.0
163.11125	4.4
167.07166	2.8
169.10085	3.2
171.11708	6.5
173.13239	6.5
175.11142	3.0
179.10625	4.6
179.14081	2.2
183.11711	3.6
185.13332	4.2
187.14885	2.8
195.11798	2.5
197.13177	2.2
199.14853	2.9
209.13388	2.4
213.16341	2.8
217.15927	2.4
223.14783	2.3
247.08513	3.4
271.16965	2.1
271.20441	2.8
275.20325	2.2
282.95093	2.0
283.08728	2.3
289.21661	3.5
301.21765	2.8
303.23282	3.4
307.15262	2.0
321.70816	2.1
327.23483	2.4
330.88818	2.4
331.22650	2.2
341.24744	2.4
347.15378	2.5
351.23352	2.5
369.24503	11.9
387.21387	52.4
387.25497	8.4
405.22421	100.0
405.26645	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	405.2639
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03946	8.6
55.01867	16.3
55.05510	29.5
57.03432	9.6
57.07068	9.1
65.03919	6.6
67.05505	71.0
69.03436	36.2
69.07074	34.9
71.04998	8.1
71.60094	8.6
79.05489	54.6
81.03432	30.2
81.07062	86.4
83.04984	9.9
83.08622	19.5
85.02893	8.7
85.06583	7.1
91.05482	54.2
93.07050	89.5
95.04983	17.4
95.08613	63.8
97.02912	18.2
97.06533	14.9
97.10194	11.1
105.04514	5.7
105.07053	68.5
107.04948	8.8
107.08598	42.8
109.06487	6.1
109.10158	34.7
111.04443	14.6
111.08070	10.5
115.05470	9.0
117.07036	33.6
119.08604	54.6
121.06528	7.4
121.10145	37.7
123.08019	7.7
123.11678	8.8
128.06169	7.7
129.07022	18.7
131.08607	42.3
133.06438	12.6
133.10136	42.2
135.08095	9.4
135.11667	21.2
143.08556	19.4
145.06435	7.7
145.10143	33.0
147.08034	10.1
147.11711	40.2
149.09639	10.1
149.13235	14.6
155.08606	5.5
157.10095	29.9
159.08083	7.9
159.11700	24.5
161.09682	11.9
161.13223	16.1
169.10165	9.0
171.11691	17.9
173.09735	8.2
173.13300	27.0
175.11208	11.1
179.08644	7.0
181.10086	7.1
183.11743	10.5
185.09631	5.9
185.13177	9.5
187.14891	12.2
199.14851	8.5
229.15904	6.3
269.81229	7.6
273.22192	10.7
289.21759	6.7
292.37866	5.9
301.21735	6.5
315.23251	10.0
319.22925	9.1
327.23163	8.2
331.22620	6.6
341.25015	8.3
345.24283	7.0
351.23160	15.0
369.24142	36.6
387.25311	50.3
405.26273	100.0
405.30981	13.4
405.37070	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	405.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.6
55.01867	16.3
55.05510	29.5
57.03432	9.6
57.07068	9.1
65.03919	6.6
67.05505	71.0
69.03436	36.2
69.07074	34.9
71.04998	8.1
71.60094	8.6
79.05489	54.6
81.03432	30.2
81.07062	86.4
83.04984	9.9
83.08622	19.5
85.02893	8.7
85.06583	7.1
91.05482	54.2
93.07050	89.5
95.04983	17.4
95.08613	63.8
97.02912	18.2
97.06533	14.9
97.10194	11.1
105.04514	5.7
105.07053	68.5
107.04948	8.8
107.08598	42.8
109.06487	6.1
109.10158	34.7
111.04443	14.6
111.08070	10.5
115.05470	9.0
117.07036	33.6
119.08604	54.6
121.06528	7.4
121.10145	37.7
123.08019	7.7
123.11678	8.8
128.06169	7.7
129.07022	18.7
131.08607	42.3
133.06438	12.6
133.10136	42.2
135.08095	9.4
135.11667	21.2
143.08556	19.4
145.06435	7.7
145.10143	33.0
147.08034	10.1
147.11711	40.2
149.09639	10.1
149.13235	14.6
155.08606	5.5
157.10095	29.9
159.08083	7.9
159.11700	24.5
161.09682	11.9
161.13223	16.1
169.10165	9.0
171.11691	17.9
173.09735	8.2
173.13300	27.0
175.11208	11.1
179.08644	7.0
181.10086	7.1
183.11743	10.5
185.09631	5.9
185.13177	9.5
187.14891	12.2
199.14851	8.5
229.15904	6.3
269.81229	7.6
273.22192	10.7
289.21759	6.7
292.37866	5.9
301.21735	6.5
315.23251	10.0
319.22925	9.1
327.23163	8.2
331.22620	6.6
341.25015	8.3
345.24283	7.0
351.23160	15.0
369.24142	36.6
387.25311	50.3
405.26273	100.0
405.30981	13.4
405.37070	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	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.4
55.01872	10.0
55.05514	46.2
56.96552	18.3
57.03425	9.1
61.02917	12.0
67.05504	80.9
69.03429	10.9
69.06031	4.2
69.06752	5.4
69.07071	44.1
71.04974	9.4
71.19688	4.3
73.02922	5.0
73.96859	5.0
73.97288	4.8
79.05497	74.4
81.03418	8.3
81.06631	6.6
81.07059	78.2
83.04961	14.8
83.08624	38.6
85.02884	10.1
91.04957	7.8
91.05483	96.3
93.07045	66.6
95.04965	17.2
95.08600	50.6
97.02866	7.7
97.06532	15.4
97.10166	13.3
97.77202	4.7
98.97552	7.7
101.05932	4.6
105.07033	75.7
107.04944	10.6
107.08620	34.9
109.06495	10.1
109.10172	20.6
111.08074	6.6
115.05428	12.5
117.07017	57.2
119.08605	41.0
121.06519	8.3
121.10138	32.9
123.08052	10.4
123.11686	4.2
125.09669	7.1
128.06212	18.1
128.98552	5.6
129.06148	4.9
129.07007	59.9
131.08569	100.0
133.06503	7.6
133.10121	28.2
134.57230	4.3
135.08115	6.1
135.11693	19.9
137.05962	7.2
137.09564	4.5
139.11143	11.8
141.06987	24.1
142.07774	5.4
143.08565	41.5
145.06476	6.5
145.10080	33.0
147.04378	4.7
147.08011	12.4
147.11700	11.0
149.09615	9.4
155.08536	33.5
157.06525	6.6
157.10110	23.4
159.08070	10.8
159.11678	19.3
161.09647	8.1
163.11142	8.1
167.07025	14.5
167.08548	11.6
169.10065	21.7
171.11722	14.9
175.11176	5.4
179.08624	6.7
181.10139	17.4
183.11642	12.7
185.09637	4.6
185.13248	10.6
187.11340	4.6
195.11726	11.0
197.13255	11.7
199.11105	6.7
199.14833	6.9
201.12701	6.1
203.10452	4.4
203.12718	6.2
207.11731	9.2
209.13228	11.4
211.14801	8.3
213.16470	6.4
221.13237	13.1
222.14012	4.7
223.14815	18.4
225.12775	5.0
225.16328	7.1
233.15326	11.1
235.15004	6.2
239.14317	10.9
241.15883	8.8
247.17035	7.4
253.15956	5.7
255.08943	15.5
257.15384	7.0
259.16977	6.3
261.18494	4.8
271.16833	6.7
273.10284	8.6
283.08417	7.6
283.12128	4.7
323.23676	7.1
333.22122	14.9
341.24832	14.9
347.15439	8.6
351.23270	40.0
365.16144	8.0
369.24301	26.5
387.25272	45.6
405.10394	6.6
405.22299	41.2
405.27106	6.3
406.35165	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	405.2636
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03939	11.6
55.01884	14.0
55.05286	3.4
55.05512	32.4
57.03430	9.3
65.03941	4.7
65.43163	2.7
67.05161	5.5
67.05502	80.2
69.03427	24.8
69.07064	28.8
69.90615	13.9
71.01354	5.6
71.04990	8.8
73.02906	3.4
79.05494	63.3
81.03432	34.5
81.07058	68.0
83.04984	14.0
83.08609	11.7
85.02892	12.6
85.06547	3.9
91.05480	72.7
93.07047	71.8
95.04971	13.4
95.08042	4.0
95.08609	53.6
95.09212	3.4
97.02881	11.7
97.06512	9.6
97.10185	7.9
99.04449	11.4
99.08096	3.4
105.07029	74.4
107.04951	12.1
107.08599	37.9
109.02889	6.5
109.06516	13.4
109.10157	26.2
111.04475	14.0
111.08066	5.8
115.03943	3.2
115.05457	6.5
116.22346	2.7
117.07027	41.7
119.07767	4.8
119.08585	63.2
121.06479	7.8
121.10143	30.1
123.04439	6.4
123.08088	2.9
123.11703	7.9
127.03894	3.2
128.06178	6.5
129.05429	2.8
129.07001	25.5
131.04951	4.1
131.08559	50.5
133.06470	11.6
133.10136	39.3
135.08067	10.8
135.11707	24.4
137.09630	4.0
137.48373	2.7
141.07047	5.4
142.07759	4.4
143.08580	25.7
143.64401	2.5
145.06494	5.7
145.10132	45.6
147.08032	11.4
147.11685	30.8
149.09624	4.7
149.13257	9.1
155.08580	13.4
155.14095	2.6
156.09311	3.2
157.06506	3.9
157.10121	15.1
159.08057	7.5
159.11685	35.5
161.09589	7.1
161.13258	16.5
163.07542	3.2
163.11177	5.9
163.14790	3.8
169.10127	12.1
171.08087	5.1
171.11711	20.3
173.09657	4.5
173.13277	22.3
175.07521	3.0
175.11183	9.1
175.14807	7.5
177.12752	3.6
181.10071	4.5
183.11707	12.6
185.09615	7.0
185.13269	15.5
187.11211	5.9
187.14886	10.7
189.12830	5.6
191.14215	3.5
195.11678	4.2
197.09659	3.1
197.13254	6.0
199.11209	5.0
199.14812	7.9
201.12744	6.4
201.16415	3.8
203.14374	3.2
209.13252	4.8
211.14880	5.7
213.12822	6.0
213.16415	4.0
215.14297	6.0
217.15823	3.8
223.14832	6.4
227.14278	4.0
229.15840	3.4
243.21060	4.9
245.15398	3.5
253.19547	2.8
257.19260	3.1
259.20566	8.9
261.22159	2.9
271.20581	8.4
273.22174	4.6
275.20319	3.8
277.21606	8.3
285.22159	7.9
289.21637	10.5
291.23230	5.9
301.21646	11.3
303.23148	6.1
313.21570	4.3
315.23026	15.1
319.22577	10.2
323.23828	3.4
327.23117	8.0
331.22556	6.0
341.24643	13.5
345.24207	10.7
351.23264	12.9
359.25739	6.1
369.24222	54.4
387.25211	44.8
404.75534	6.7
405.26331	100.0
405.30811	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	406.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82277	2.4
53.03947	8.6
55.01873	8.3
56.05045	3.5
56.96569	7.1
57.03428	8.5
61.02929	8.9
68.99809	4.7
69.03432	31.6
70.06593	8.1
70.54018	5.2
70.54382	3.0
71.04993	5.4
72.04508	2.7
73.02916	9.2
74.06072	2.6
76.02231	3.5
79.05490	2.7
81.03427	36.6
81.07050	7.3
84.04501	6.8
84.08151	5.0
85.02911	100.0
85.03426	5.0
86.06079	2.9
87.00835	30.1
89.03925	10.7
91.03971	4.5
91.05488	4.2
97.02901	41.4
98.97589	14.4
99.04469	18.2
103.03959	3.3
105.01871	26.1
107.04983	2.5
108.04492	3.7
109.02895	91.7
110.06110	2.0
110.97563	3.5
111.04449	2.3
115.03980	2.9
116.01717	3.1
116.98655	4.8
117.01888	3.0
117.03365	7.9
118.55740	2.3
118.60899	2.3
119.04944	4.8
121.02873	15.7
123.02852	2.2
123.04462	7.6
123.08132	2.5
127.03931	64.3
128.98643	2.5
129.01842	7.6
130.06471	3.2
131.00194	2.6
133.02859	9.0
135.04466	14.2
137.06006	3.4
141.05487	37.2
143.52803	2.4
145.02875	9.0
145.04958	31.0
146.06017	6.9
147.02925	4.9
147.04408	8.4
147.06381	4.1
156.08476	4.0
158.06061	4.4
159.02917	20.4
159.06372	3.1
160.07640	3.1
161.62061	2.2
163.03923	57.9
164.04295	3.3
165.05476	17.7
167.07054	5.2
174.09325	2.6
177.05513	5.3
178.53529	2.5
179.07045	2.8
189.03975	10.9
191.07115	2.7
203.07251	5.2
207.06543	17.0
219.01721	3.0
229.00247	6.1
231.04988	8.6
231.06723	7.0
237.02872	3.8
237.05238	6.3
249.07596	16.1
259.11111	17.8
265.04034	2.7
318.13205	4.0
333.48065	2.8
340.14386	2.3
345.14282	4.2
362.16751	2.6
371.05948	2.6
371.16422	2.3
377.17108	3.0
388.18512	12.0
388.22757	2.3
389.16989	8.8
406.14255	3.5
406.23315	2.8
407.20401	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	2.7
55.05507	2.3
56.05033	6.3
57.03442	5.8
58.99586	12.6
61.01146	1.3
63.21712	0.9
68.05019	1.2
70.02952	1.0
70.56193	2.4
73.01138	1.7
74.00658	2.6
74.24185	0.8
76.01815	1.6
76.02232	24.6
76.03997	2.5
79.05490	4.6
80.05019	1.6
81.06580	1.1
81.07062	21.3
83.06093	2.5
84.04035	1.7
84.04510	29.0
85.01142	4.7
86.00658	4.4
86.99060	7.5
87.02686	6.5
88.02202	2.1
94.06570	1.6
95.08620	4.1
96.08112	1.0
97.01140	1.7
97.06525	2.0
98.09695	13.5
99.02631	0.9
99.08120	4.7
102.05573	4.0
105.07012	1.4
110.09721	2.0
111.08068	1.0
112.03942	3.5
113.04233	8.4
115.05782	1.8
116.01685	25.2
123.08069	1.2
127.05785	1.3
129.06599	3.3
129.12753	0.9
130.05029	7.9
130.06891	4.6
130.08655	1.3
131.08556	2.3
139.05762	2.2
142.03192	2.3
142.04926	1.1
143.02727	1.6
144.01152	9.5
145.06007	1.5
147.07878	0.8
149.09561	0.9
156.08417	19.9
156.10196	10.4
157.06819	8.4
162.02217	24.5
174.09489	12.9
179.04857	9.4
187.05312	1.1
188.03758	1.2
189.03311	1.2
209.11761	3.1
210.11223	2.5
216.06908	5.8
222.09351	0.7
233.05911	1.9
242.08380	1.3
245.05974	1.1
245.42410	0.8
259.11136	100.0
260.09253	1.4
260.11676	1.2
277.11993	0.8
285.12552	2.1
308.09064	1.1
313.12131	3.6
331.13266	6.1
381.57153	0.9
388.15332	2.0
406.16220	2.9
412.48526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75238	1.5
54.45798	1.6
55.05496	2.0
56.96570	47.4
62.64820	1.5
65.91969	1.8
67.05511	3.5
69.07070	4.0
71.60706	2.2
71.61127	2.0
71.95294	3.2
79.05516	2.7
81.07088	3.5
84.96057	2.7
91.05488	2.3
93.07053	3.1
95.08614	2.8
98.97588	2.3
103.00732	2.7
105.07043	2.2
107.08637	2.9
110.97593	5.6
115.00688	4.8
116.98593	1.7
119.08602	1.7
128.98633	4.7
129.02229	2.8
141.02223	2.5
155.03836	4.1
159.11555	1.9
167.03831	2.2
171.03296	9.1
173.01302	1.8
173.04901	3.5
181.05298	1.9
183.03317	4.3
185.04832	5.5
189.04283	8.3
195.03412	2.5
197.04846	4.9
198.40962	1.8
199.06422	19.6
201.04399	2.0
203.05956	3.6
205.05638	1.6
209.04958	1.8
211.06337	3.2
213.07967	9.4
217.05499	3.3
217.07458	22.7
223.06400	10.5
225.08104	2.1
227.05891	3.5
229.07460	5.3
231.09032	10.3
235.06366	1.8
237.07971	3.2
241.07518	38.0
247.08554	3.8
249.04524	2.2
253.07542	13.6
255.09065	12.5
259.08588	53.7
264.09149	2.5
267.08954	3.7
271.08530	5.9
273.10101	5.6
277.09628	4.2
278.08075	2.1
282.10181	4.1
285.10172	2.4
329.14203	15.8
337.16940	1.9
347.15341	98.3
348.15594	2.6
365.16403	100.0
366.16708	2.3
370.17120	2.5
379.44263	1.7
383.17441	56.2
388.17801	8.1
406.18387	8.3
406.23337	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44223	1.8
52.07127	1.8
55.01868	6.2
55.05507	3.1
56.05027	6.8
57.03422	6.0
57.07095	2.2
58.99592	14.5
67.03899	1.8
67.05514	10.8
68.05022	2.9
69.03432	6.2
69.06315	2.3
69.07074	2.9
69.62050	12.2
70.06578	4.0
71.04983	7.8
73.01115	1.8
74.35877	1.8
76.01878	2.2
76.02233	27.3
79.05506	11.3
81.03409	8.0
81.07057	22.3
83.04972	3.3
83.06082	2.7
83.59836	1.8
84.04045	2.2
84.04510	31.8
84.08139	3.3
85.01105	2.8
85.02903	11.5
85.06544	43.2
86.00652	3.8
86.06077	4.8
86.09724	2.0
86.99041	6.9
87.02670	7.3
87.04465	3.0
88.02207	2.9
88.07655	2.3
91.05491	13.6
93.07041	6.8
95.04964	3.3
95.08604	9.4
97.06543	6.0
98.06051	3.9
98.09692	10.8
98.97595	3.2
99.08077	5.0
102.05526	5.5
104.07058	3.1
105.07030	10.3
107.04945	3.5
107.08624	10.6
111.04458	5.1
112.03954	6.5
113.04229	5.9
116.01685	26.5
119.08569	10.8
121.06487	5.7
121.10129	7.9
123.08068	4.4
129.06544	3.0
130.04997	8.4
130.06825	5.7
130.08643	2.3
131.08571	23.8
133.10104	5.9
137.09586	3.4
144.01144	9.0
145.02840	3.2
145.10120	8.0
147.08078	2.8
147.11707	3.5
149.09619	22.1
155.07066	2.3
156.08440	20.4
156.10208	9.8
157.06862	14.0
160.23802	1.9
162.02196	26.7
163.11157	7.8
165.09132	3.3
167.07018	4.5
167.10716	12.6
173.09518	2.5
174.09479	15.5
175.11226	2.2
175.14821	8.1
179.04819	13.0
191.10655	27.5
191.14319	3.4
193.12224	4.2
203.14572	2.4
209.11731	32.8
210.11174	4.8
216.06854	8.7
217.65602	2.2
227.12790	47.8
244.07878	2.4
259.11130	100.0
260.09335	2.5
267.15872	3.8
313.12054	4.8
331.13184	5.7
366.14877	2.1
370.22177	3.4
382.68143	2.0
388.15216	2.5
388.23334	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	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21768	4.5
55.01877	6.6
55.05501	10.9
56.96553	4.6
57.03431	13.3
58.71393	6.0
58.99578	7.4
60.04521	5.9
67.05501	10.9
69.03415	7.3
69.07069	6.1
70.06577	17.1
70.63957	13.9
71.04998	12.2
73.02913	12.7
76.02207	13.2
79.05481	22.4
81.03419	11.1
81.07050	18.0
84.04497	12.4
84.08153	9.5
85.02892	14.2
86.06061	9.4
86.09698	5.9
88.07642	9.5
91.05470	15.8
93.07042	14.7
95.04967	11.4
95.08607	11.6
97.02878	5.5
97.06505	6.7
98.97584	31.5
105.07030	12.3
107.08619	27.0
109.06490	8.5
109.10165	5.6
110.97558	6.1
116.01687	9.2
116.98622	5.4
117.06970	5.1
119.08580	16.5
120.08147	6.1
121.06470	11.0
121.10116	14.2
127.03968	6.8
129.10263	4.5
130.04999	4.9
131.08565	63.0
133.10132	8.9
145.10097	18.9
147.11644	4.8
149.09615	21.1
156.08441	9.4
156.10172	7.6
158.99684	13.2
163.11182	8.3
179.04915	5.3
191.10678	22.2
191.14394	5.5
206.08701	5.2
209.11745	87.3
211.07288	5.7
215.09351	16.4
215.59676	5.4
219.01718	5.3
220.07886	6.1
259.11139	34.2
266.37262	5.4
307.10687	16.4
352.24786	5.2
370.25702	10.4
383.34955	4.9
388.27017	5.8
397.17966	4.8
406.17755	100.0
406.24225	15.1
407.17554	5.5
421.13684	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.05503	13.0
56.05036	6.9
57.03432	8.4
67.05507	16.7
69.03411	8.2
69.07050	12.4
70.06579	22.5
70.89261	14.1
71.04981	12.1
72.08139	7.9
74.06085	17.8
79.05488	15.8
81.03405	7.3
81.07045	29.2
83.08619	5.4
84.04492	11.3
84.08140	12.9
85.02899	24.2
85.06572	6.6
86.06084	5.7
86.09686	13.3
91.05462	20.5
93.07053	15.7
95.04956	22.7
95.08603	14.8
97.02896	8.2
97.06538	13.4
98.97599	10.9
105.07037	25.6
107.04972	9.1
107.08586	21.3
109.02827	6.6
109.06496	19.5
109.10189	15.1
110.07139	6.1
119.08572	13.2
120.08112	7.5
121.10143	18.4
123.04442	7.0
123.11759	8.4
131.04903	6.7
131.08540	14.5
133.10147	67.0
135.11542	6.1
137.06001	6.3
141.25653	6.0
145.10229	9.5
147.11656	23.5
153.09123	10.7
161.05930	8.0
163.07556	15.4
164.07899	10.3
167.07054	91.2
168.07344	49.9
173.05878	6.6
173.13271	32.4
179.06944	6.5
191.14320	46.4
193.08611	13.3
194.08998	12.2
209.15375	67.5
215.07071	8.4
217.08595	6.6
227.16455	63.9
228.13826	11.9
237.14386	11.0
245.04668	7.8
246.14915	47.0
259.05658	5.4
259.11276	7.4
271.05573	16.0
315.05060	24.8
316.05356	72.6
317.05994	11.5
331.08093	19.4
331.12390	5.7
332.08459	97.4
371.97150	6.0
388.30652	6.6
406.12149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05510	3.7
56.05024	6.2
56.97470	2.0
57.03426	6.7
58.99585	12.2
60.15245	1.9
67.05495	6.8
68.05040	2.2
69.03432	3.6
69.07075	2.9
69.85613	11.0
70.06585	5.6
71.05001	2.5
72.08153	2.4
76.02232	21.4
79.05510	11.3
81.03416	5.9
81.07056	23.1
84.04507	28.1
84.08143	3.7
85.01128	2.5
85.02888	7.1
85.06545	20.0
86.00645	3.1
86.06063	4.7
86.09698	2.7
86.99071	6.5
87.02685	6.2
87.04436	2.5
88.02209	2.9
89.75212	1.7
91.05475	8.4
93.07030	5.5
95.04967	4.1
95.08603	5.2
96.08130	2.6
98.06002	1.9
98.09683	10.2
98.20783	2.3
98.63084	2.2
98.93428	1.7
99.08080	6.5
102.05524	5.5
104.07095	3.0
105.07012	5.9
107.08604	5.3
109.10094	2.4
110.09677	2.3
111.04463	3.1
111.08073	2.0
112.03963	2.2
113.04263	4.6
115.05829	2.4
116.01679	23.0
117.07046	2.3
119.08583	6.6
120.08074	1.9
121.06477	3.8
121.10136	4.7
123.08017	2.4
130.05011	9.4
130.06862	4.5
130.08620	2.3
131.08540	10.2
133.10184	4.1
137.09605	3.4
137.75360	1.8
142.03230	2.8
144.01140	7.0
145.10114	8.0
149.09608	11.0
156.08409	16.1
156.10193	7.9
157.06793	6.3
162.02213	23.8
163.11147	2.9
167.06978	6.0
167.10652	4.6
174.09494	15.2
175.14787	5.5
177.05600	2.1
179.04866	11.2
189.05821	1.9
191.10699	12.0
191.14294	3.8
193.08533	1.8
193.12228	5.7
209.08092	2.2
209.11771	17.9
210.11258	3.8
216.06924	6.7
227.12784	25.8
259.11139	100.0
260.11755	2.8
267.15820	3.3
313.12054	4.5
331.13177	2.5
370.25934	3.5
388.22803	9.8
407.07404	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86982	2.2
51.69880	2.3
53.03933	2.8
55.59245	2.2
57.03437	2.7
65.03952	3.3
67.05493	2.7
67.14363	2.1
69.03437	7.9
69.07070	3.3
70.06575	2.5
71.05044	4.2
72.08139	2.5
73.02930	2.8
74.06060	2.1
79.05490	3.0
81.03416	5.5
81.07060	3.8
83.04986	4.6
83.08598	2.7
84.04492	3.6
85.02905	19.2
86.09738	3.7
91.05480	51.7
92.05836	4.3
93.07050	11.2
95.08625	17.1
97.02876	6.3
97.06541	6.8
98.97568	6.9
99.51360	2.7
103.05458	2.6
105.07076	11.2
107.08587	11.7
108.05328	3.2
109.06561	2.7
109.10142	8.1
116.01706	3.0
119.08563	5.5
121.06567	3.0
121.10165	14.1
123.04375	4.2
123.08036	2.2
125.09597	2.9
127.03934	4.3
128.17587	2.1
131.08571	6.7
133.10138	100.0
135.08080	3.6
135.11702	3.7
137.13498	2.2
145.04970	4.1
145.10153	4.7
147.11707	5.3
149.09602	3.9
149.13261	7.2
151.11192	22.8
158.10947	4.1
163.06038	2.4
163.07542	4.2
163.14838	7.3
167.07080	18.8
168.07393	13.6
173.13268	41.1
191.14313	53.1
209.15399	23.2
219.01738	5.4
221.04802	2.6
226.14461	3.4
237.02815	3.1
259.11258	4.9
323.08130	5.5
341.09085	3.3
356.15479	3.0
407.15198	3.2
409.59286	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	407.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79366	1.1
56.05055	1.4
56.96555	2.4
58.02131	1.0
58.99874	1.1
60.04546	1.3
65.93934	1.0
69.03432	1.8
70.06577	2.4
71.58889	1.7
82.99837	1.2
84.08147	3.2
85.02911	2.9
85.33097	1.1
95.14880	1.0
96.42400	1.3
97.02879	1.6
98.97599	3.4
101.00881	8.2
103.02438	1.7
110.97587	2.3
112.05119	1.3
113.00867	6.2
115.02443	4.4
117.04020	2.1
117.05793	1.1
118.06565	2.0
118.08620	1.3
119.01948	7.3
126.98839	1.1
127.02393	1.6
128.98595	1.7
130.06525	4.8
131.01923	6.7
132.08105	18.3
132.46506	1.1
133.03477	4.4
135.05052	1.3
141.03987	1.6
143.01915	6.8
144.08156	2.1
144.99838	4.1
145.03465	6.6
145.05067	1.5
145.07611	22.9
146.06018	25.3
149.02948	2.5
152.05701	2.2
155.01891	8.7
155.06003	3.2
156.02684	1.8
157.03461	1.5
157.07664	1.4
158.06009	6.6
159.01466	1.3
159.05070	6.5
159.06764	1.6
159.09193	3.5
160.07582	23.5
161.02953	5.8
168.99840	1.4
170.06123	1.8
171.05025	7.6
172.07658	2.2
172.99431	2.9
173.02977	7.0
173.07121	17.2
174.07896	30.1
174.09079	1.6
175.08670	2.0
177.02466	2.1
177.06068	2.3
184.07558	3.6
185.03021	2.8
185.07045	4.7
186.07829	1.5
187.00900	2.6
187.08690	14.1
188.09320	1.4
189.06110	5.1
197.06729	1.6
201.00812	1.9
201.06110	4.3
201.10220	10.9
203.03954	5.8
203.07825	1.6
205.01959	3.3
213.06128	2.5
219.01820	2.0
219.07173	2.7
221.05069	13.9
231.03537	2.3
235.29170	1.2
243.07214	1.3
245.05142	2.4
246.09238	1.4
254.99858	2.5
258.07986	1.8
259.08832	1.6
261.08182	13.2
262.11163	2.3
270.07956	2.0
271.08737	3.6
271.12128	1.7
272.09543	4.5
273.00793	1.5
273.10306	6.2
275.08182	4.6
279.09277	20.9
282.99542	1.2
283.08658	2.0
284.09512	9.0
285.10233	4.7
286.11069	1.8
287.11804	3.0
288.08966	3.3
289.09818	6.6
289.13062	2.5
291.11276	3.1
299.08615	2.0
299.11771	16.1
300.12360	3.7
301.09616	3.9
301.13229	3.4
302.09943	5.1
303.10135	15.3
305.12988	2.3
305.46967	1.5
307.08792	4.9
311.11929	2.7
315.01843	6.5
316.11038	1.6
317.12869	45.4
318.12430	24.6
319.14499	2.0
321.10791	1.3
328.14545	3.1
329.12872	4.5
332.13974	3.2
333.02921	4.7
334.15475	34.9
346.15506	100.0
347.08365	8.2
347.12006	2.0
347.15845	3.4
363.18158	23.4
375.07791	1.9
390.14542	11.3
406.62091	1.1
407.10049	3.8
407.17282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.9
56.96555	7.6
57.03420	2.2
58.36015	1.7
60.18278	1.6
67.05495	6.4
69.07060	3.1
71.59690	3.0
79.05482	3.5
81.07059	7.0
85.02918	1.9
91.05480	4.8
93.07055	6.3
94.35287	1.9
95.08602	7.5
97.64157	1.8
98.97612	2.0
105.07034	4.4
107.08573	2.9
109.10159	4.1
119.08560	3.2
121.10130	4.1
131.08623	2.1
133.10138	3.9
138.66855	2.2
145.10046	2.4
159.11765	2.9
173.13176	2.0
210.76028	1.9
269.13635	3.8
333.17459	8.1
351.18594	7.1
389.23007	42.0
407.24118	100.0
409.54428	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	407.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.7
56.96556	22.1
60.53974	5.6
67.05497	20.9
69.07062	11.0
70.49397	17.5
79.05482	17.8
81.07050	23.4
91.05475	20.3
93.07050	22.2
95.04938	6.2
95.08594	21.5
105.07008	15.7
107.08568	19.2
109.10158	9.0
119.08588	10.5
121.06477	6.6
121.10119	11.6
123.11671	9.4
126.47498	6.5
128.98607	7.6
131.08565	11.6
133.10104	17.4
144.93599	5.6
145.10164	6.2
147.11652	8.9
157.10231	6.5
159.11682	12.8
161.13287	5.3
163.95030	5.3
168.05348	6.0
229.07472	5.8
243.08936	6.9
262.60416	5.6
315.16345	19.2
333.17303	16.7
351.18265	9.9
371.15118	14.2
373.90308	6.6
389.22781	12.8
407.24008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.6
57.07055	0.6
61.02922	0.7
67.05493	1.5
69.07066	1.1
70.06576	2.1
70.83418	1.2
70.83820	1.4
73.02910	0.6
79.05486	1.1
79.63262	0.5
81.03386	0.7
81.07055	1.4
83.08618	1.0
85.02937	0.6
86.09707	0.7
91.05471	0.9
95.04980	0.8
95.08601	1.1
101.90672	0.5
105.07044	0.8
107.08549	0.7
109.10143	0.7
119.08601	0.6
121.10139	0.7
131.08498	0.7
132.10193	0.6
133.10092	1.0
241.07550	0.9
243.08968	0.6
253.12788	0.7
259.08612	1.1
267.08975	1.3
267.15765	0.6
269.17664	0.6
282.90985	0.6
285.09961	1.1
295.15042	0.8
301.29407	1.9
309.16989	0.9
345.31989	0.7
349.16824	1.0
407.24060	100.0
407.35416	9.5
408.24472	3.1
413.46497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76904	1.8
91.05466	1.3
93.07024	0.9
95.08630	0.7
126.91622	0.7
143.99893	0.6
295.15149	0.6
309.16718	0.9
369.33255	0.6
375.85764	0.7
407.24063	100.0
407.35416	2.4
408.24469	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51854	0.7
70.52212	1.1
80.91906	0.4
81.07064	0.9
81.49009	0.4
95.08605	0.8
112.69154	0.4
119.08530	0.4
207.06567	0.6
271.55878	0.4
287.44980	0.4
309.16840	0.4
337.16321	0.6
351.20074	0.5
407.24072	100.0
408.24377	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.7
69.07068	0.5
70.83669	1.0
79.05499	0.5
81.07070	0.7
86.04040	0.4
95.08609	0.7
107.08566	0.5
109.10147	0.5
121.10149	0.7
156.85410	0.4
187.13007	0.4
201.40692	0.4
351.20395	0.6
353.40118	0.5
407.24066	100.0
408.24286	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.96555	1.0
65.31210	0.4
67.05495	0.8
69.07074	0.9
70.83276	0.8
81.07056	1.2
85.02859	0.4
91.05486	0.7
93.07047	0.6
95.04939	0.4
95.08618	1.1
95.09743	0.4
99.05025	0.4
105.07008	0.6
107.04947	0.5
109.10136	0.5
109.23058	0.3
119.08658	0.5
121.10151	0.7
133.10156	0.8
135.11652	0.5
145.10191	0.4
148.99876	0.3
159.43379	0.3
163.11247	0.5
203.14363	0.4
217.07585	0.4
241.07365	0.7
259.08493	1.0
284.74542	0.5
321.16791	4.5
349.16974	1.6
354.01761	0.4
367.17944	2.1
385.18918	1.2
407.24075	100.0
408.24326	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	407.2405
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.05515	1.2
64.14037	1.0
67.05505	5.1
67.56816	1.3
69.07071	2.4
71.59743	1.4
79.05494	2.9
81.07069	5.1
91.05475	2.6
93.07044	2.8
95.05005	1.5
95.08606	3.9
95.24668	0.9
105.07021	1.9
107.04951	1.2
107.08617	2.2
109.10184	2.6
119.08593	3.6
121.10144	1.6
128.71565	0.9
129.07002	1.2
133.10132	3.0
134.66350	1.0
135.11650	1.2
145.10136	1.6
147.11754	1.2
157.10126	1.6
159.11684	1.5
173.13234	1.7
238.39194	1.2
307.15121	1.8
351.18698	1.3
389.22998	42.9
390.23395	2.0
407.24057	100.0
408.24490	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	407.2405
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.05508	1.1
56.96556	2.8
58.64059	1.1
66.91641	1.1
67.05508	2.6
69.07092	1.2
70.28370	1.4
70.28716	3.5
71.95267	1.0
73.27335	0.9
79.05489	2.2
81.07054	3.8
91.05475	3.1
93.07037	1.8
95.08601	3.6
105.07056	2.0
107.08572	1.3
109.10142	2.3
112.74393	1.1
118.27588	1.0
121.10149	1.6
133.10149	1.8
141.48978	1.4
153.78232	1.1
159.11711	1.3
171.11670	1.2
173.13254	1.2
307.15231	1.7
315.16495	1.8
333.17249	6.1
351.18466	1.9
359.84695	1.2
366.33670	1.0
389.23019	51.2
407.24084	100.0
408.24280	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	407.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.7
57.07066	3.9
59.04989	2.4
67.05480	5.6
69.07057	4.5
69.46960	1.2
69.47293	12.5
70.23454	1.6
71.04982	3.1
71.08636	2.5
79.05481	5.0
81.07057	12.4
83.08629	2.3
85.14430	1.6
89.06013	4.3
90.14685	1.5
90.15323	1.4
91.05482	14.8
93.07045	20.3
93.36999	1.3
93.48911	1.5
95.04971	3.9
95.08627	11.7
97.10168	1.8
99.04468	2.5
105.07031	19.9
107.08602	32.9
109.10160	9.7
113.00040	3.4
117.07017	2.3
119.08582	7.3
121.06495	5.7
121.10105	4.7
123.04440	3.4
123.11697	3.7
125.06009	2.0
125.78564	1.6
131.08575	4.1
133.08612	3.7
133.10135	45.1
135.11685	13.4
137.06000	2.5
137.09488	1.5
137.13243	2.2
145.10127	1.8
147.11760	3.6
149.13231	2.8
159.11609	2.9
161.09601	22.3
161.13315	2.0
169.02589	5.8
173.13205	2.7
179.10683	100.0
180.11075	2.0
189.16486	2.4
197.11736	6.2
201.16435	2.4
203.17940	1.9
207.13901	2.2
229.21623	1.8
250.37923	1.6
261.02493	1.5
407.31915	3.0
407.36646	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	407.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.8
57.07074	7.3
57.07300	1.3
65.03928	2.7
65.40688	1.2
66.54359	1.2
67.05508	24.0
69.07056	6.7
69.48257	12.1
71.04975	3.8
71.08628	5.0
79.05505	2.9
81.07057	7.8
83.08629	6.7
85.10165	3.7
89.06053	1.5
91.05493	2.6
93.07027	2.8
95.04965	11.4
95.08611	7.4
97.10162	5.5
98.21587	2.0
99.04470	8.0
105.07063	3.5
107.08584	3.9
109.06515	1.5
109.10159	6.0
111.11711	3.2
113.00072	1.8
113.06010	3.6
119.08554	4.6
121.10175	2.7
123.04437	15.3
123.11703	2.5
125.05990	8.9
133.10130	2.3
139.07527	3.8
141.05475	100.0
149.13235	2.7
151.11217	1.8
155.07016	1.8
159.11760	2.1
161.13245	1.7
173.13336	1.6
189.16463	1.6
203.18042	2.1
329.32089	1.6
347.33026	3.4
365.34100	2.7
389.34189	9.1
407.35306	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01860	3.4
55.05517	27.5
55.78273	1.4
57.03429	2.8
57.07077	12.4
59.05003	1.6
65.03940	1.5
67.05508	49.1
69.06716	2.4
69.07074	35.4
69.66463	1.3
71.04998	28.4
71.08633	8.8
71.61486	2.5
74.19895	1.3
79.05494	28.5
80.80035	1.6
81.03438	1.7
81.07062	74.4
83.04977	8.8
83.08630	21.8
85.06529	4.4
85.10191	2.7
89.06029	3.1
91.05489	12.5
93.07058	34.8
93.13599	1.3
95.04977	54.7
95.08611	65.1
97.06535	26.4
97.10179	16.4
98.98498	1.9
99.04429	1.6
99.08112	2.3
105.07037	17.9
107.08603	25.7
109.06538	5.1
109.10167	29.4
111.08051	2.6
111.11736	4.0
113.00022	24.0
117.07025	3.3
119.08605	12.2
121.10150	23.1
123.08065	3.9
123.11719	13.9
125.09618	1.6
131.08560	4.7
133.08644	1.9
133.10136	8.7
135.11725	13.2
137.09605	1.9
137.13274	4.4
143.08600	3.1
145.10133	7.3
147.11697	7.1
149.13249	7.5
151.11246	1.7
151.14815	4.0
155.00998	1.9
157.10117	2.0
159.11693	2.7
161.13245	5.0
163.14861	3.3
169.02626	22.0
173.13307	3.3
175.14804	2.9
177.16391	2.6
185.13260	2.9
187.14798	2.8
189.16496	4.6
191.18088	1.6
195.12277	2.0
199.14899	2.4
201.16426	2.0
203.17963	2.7
211.14722	1.7
215.18013	1.9
217.19641	1.8
227.57423	1.3
313.28983	1.9
331.30017	5.7
345.31537	2.8
347.33136	10.0
361.34811	3.9
371.33054	9.4
389.34174	100.0
390.34534	4.1
407.35333	79.5
408.35675	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	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.0
57.03435	2.4
69.03423	6.5
70.06577	5.4
70.51114	5.3
84.08160	2.6
85.02906	10.3
86.06000	1.4
89.03893	2.1
91.05479	4.4
93.07043	1.8
97.02877	4.0
97.96803	1.9
98.97569	5.0
105.07047	2.1
109.02853	1.7
109.06464	2.8
111.92587	1.6
116.07042	1.7
116.98611	1.8
119.04950	4.7
120.08049	2.0
122.03635	2.4
123.34427	1.7
127.03914	2.2
128.98628	2.5
137.05989	100.0
147.04453	8.0
148.56660	1.5
149.05876	2.0
151.07570	3.4
153.05455	3.0
163.03934	7.5
166.31017	2.0
167.06969	3.3
167.43248	2.1
179.06987	9.0
203.06938	1.8
205.96645	2.3
211.09668	84.4
234.97002	2.6
246.13330	3.4
252.97968	2.4
275.97095	3.3
408.15610	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	408.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
56.96570	40.1
58.06585	1.8
64.17554	1.7
67.05501	3.4
69.03442	1.8
69.07063	1.5
69.77991	7.3
71.95273	3.7
79.05484	2.1
81.07050	4.4
83.08613	1.5
84.96045	2.1
91.05467	3.9
93.07049	3.6
95.08606	2.0
105.07047	1.6
107.04973	2.1
107.08599	2.5
109.10155	1.7
110.97559	3.2
112.99173	1.5
115.00687	3.3
118.08654	11.4
119.08542	1.9
121.10177	1.7
123.25550	1.3
128.98624	2.8
129.06955	1.4
131.00096	1.6
133.10168	2.0
135.11644	1.8
142.36765	1.4
149.02567	1.8
153.02306	2.6
156.89096	1.6
157.01765	1.7
167.03795	2.0
171.03293	6.4
175.02776	1.9
181.05447	3.1
185.04863	4.3
185.13428	1.4
189.04346	4.4
193.05042	3.1
195.07024	2.3
197.04878	3.1
197.97469	1.4
199.06448	19.8
201.04366	1.9
201.08134	2.8
203.06039	2.2
204.58931	1.4
213.08009	8.0
217.05859	1.9
217.07527	18.5
223.06464	7.1
227.05789	2.9
227.09453	2.9
229.07454	11.3
231.09042	10.2
235.06396	2.5
241.07492	33.7
243.08965	2.3
245.06963	2.4
247.08591	3.9
253.07509	9.7
255.09087	2.8
259.08572	45.5
263.34332	1.5
264.08957	1.7
271.08490	5.1
273.10172	1.5
277.09573	3.0
281.10483	1.6
282.10199	4.7
304.16803	1.5
322.11646	2.8
331.15771	13.1
339.18161	2.1
349.16888	75.8
350.17145	2.9
367.17966	100.0
368.18304	2.9
372.18555	2.5
385.19025	55.5
386.19360	1.8
388.28702	1.5
390.19577	10.0
403.19928	2.3
408.20221	4.4
408.23907	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	408.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.96545	0.5
58.06600	11.7
59.07112	0.5
59.07385	9.6
61.53675	0.4
67.05489	1.0
69.07040	0.4
69.43284	2.6
70.06586	0.6
76.19986	0.4
79.05486	1.6
81.07055	0.8
83.08630	0.4
91.05479	1.5
93.07057	0.8
95.08599	0.8
98.97562	0.5
100.07612	4.8
105.07035	0.8
107.04945	2.8
107.08587	1.0
109.10165	0.6
118.08652	100.0
119.08517	0.5
121.10093	0.6
135.08061	0.5
144.07982	0.5
202.15965	1.0
285.10193	0.4
408.27551	50.7
409.28027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50726	2.9
54.34441	3.1
56.96575	17.9
60.04525	6.1
67.05488	8.8
69.03410	3.8
69.07052	5.6
70.06582	4.0
70.30442	10.9
74.02439	5.4
78.50214	3.4
79.05473	7.7
81.07047	8.9
84.96021	6.3
85.02896	4.7
91.05495	4.3
95.04971	3.5
95.08628	6.2
98.97594	56.1
100.74699	3.3
105.07006	3.9
107.08586	4.9
109.02842	4.7
109.10152	3.8
110.97566	22.8
112.99138	8.1
116.98624	19.5
119.08546	5.6
121.92938	3.9
124.99108	7.1
126.96976	4.0
127.07521	7.3
128.98590	14.2
130.05676	3.2
131.69362	3.2
135.11736	3.6
140.98576	7.2
143.00145	9.7
145.12177	4.4
152.98787	4.2
158.99687	6.6
161.01279	3.4
161.02655	4.3
161.47469	3.6
170.99654	8.6
177.00629	5.6
177.05504	5.7
179.03844	22.1
181.04976	7.5
183.06606	5.2
189.00725	4.3
197.04884	7.0
201.00623	5.5
219.01787	36.0
220.42149	3.7
221.04880	19.5
228.85454	3.7
237.02769	31.7
239.06050	5.8
255.04037	4.4
312.96454	3.4
323.08020	100.0
341.09109	63.8
365.09219	23.8
372.27304	4.2
383.10114	5.1
390.28238	4.0
406.79346	3.6
409.08865	44.6
409.18256	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
56.96567	1.1
60.04577	0.5
61.02897	0.6
67.05493	0.9
69.03436	1.3
70.06591	1.6
70.76580	1.5
72.08150	0.7
74.06095	0.7
78.22302	0.4
79.05486	1.3
81.03417	0.5
81.07041	1.2
83.05008	0.7
84.08128	0.6
84.96065	0.8
85.02908	1.8
85.06570	0.5
87.04439	0.6
91.05472	3.1
93.07031	1.2
95.04955	0.7
95.08598	1.6
96.08080	0.8
97.02903	1.2
97.06533	0.6
98.97574	3.3
99.08112	1.5
105.07010	1.2
107.08601	1.9
109.02867	0.9
109.06542	0.5
109.10149	1.1
112.99213	0.6
115.05468	0.4
116.98660	1.1
118.74341	0.6
119.08571	1.3
120.64993	0.5
121.02873	1.8
121.10184	1.3
124.07605	5.7
125.09692	1.0
132.70422	0.5
133.06491	0.8
133.10143	1.6
135.11662	0.5
136.07590	0.9
145.02954	0.6
156.23511	0.5
158.19217	0.5
158.99657	1.2
161.05887	0.8
163.00096	0.7
165.86435	0.5
166.08694	2.4
175.14833	1.2
193.15962	0.9
197.58609	0.6
197.89490	0.5
199.02132	0.7
206.08890	0.7
215.09395	1.3
215.59451	1.3
217.65668	0.5
219.01714	1.3
221.04616	0.5
233.07866	9.6
237.02837	0.7
275.08865	1.1
275.50531	0.5
285.08740	0.7
286.12866	1.7
307.06058	1.0
313.07819	0.7
321.07669	0.6
325.07135	1.8
331.09113	0.8
349.10376	0.6
391.08221	0.8
408.29285	0.7
409.11017	100.0
409.18213	15.3
410.11267	2.1
411.16971	0.6
429.17990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80328	0.2
54.25698	0.3
60.04530	0.3
60.29138	0.3
69.03419	0.3
69.93584	1.0
70.44880	0.2
81.03434	0.3
84.96018	0.2
85.02911	0.9
91.05475	0.4
107.01093	0.5
107.08587	0.3
107.94012	0.2
109.02885	0.5
117.05793	0.6
127.03927	0.3
129.06993	0.3
130.06543	1.1
143.07361	1.2
143.08435	0.2
144.08102	2.7
156.08095	0.4
158.09634	2.2
160.07547	0.3
168.08209	0.3
181.05043	0.3
184.07573	0.7
185.04199	0.2
186.09215	1.4
203.05206	0.5
204.10175	1.3
207.02698	0.3
247.13109	3.1
374.12305	0.5
392.13507	0.8
397.72632	0.3
409.18369	100.0
410.18799	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04205	0.4
51.50654	0.4
55.01864	0.5
55.05506	0.6
57.02758	0.4
58.65235	0.5
67.05506	0.7
69.03430	0.9
70.83796	0.6
70.84129	0.8
72.08141	0.5
78.10699	0.5
79.05518	0.8
81.07051	1.1
84.04490	0.7
85.02898	1.0
86.09698	0.9
91.05482	1.0
93.07032	1.0
95.08624	0.6
98.97581	1.5
105.07020	0.7
107.08596	1.2
109.06498	0.5
109.10181	0.4
110.06109	0.4
119.08603	0.7
121.06528	0.6
124.07595	1.3
132.09015	0.4
133.10184	0.6
134.10495	0.6
138.09129	1.0
150.09163	1.7
151.98189	0.4
167.07150	0.8
177.05455	0.8
203.05231	1.2
214.35699	0.5
229.12137	0.6
247.14545	3.8
289.15515	2.1
325.07315	0.6
330.59299	0.5
394.07404	0.5
409.09341	2.9
409.18372	100.0
410.18616	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05510	0.5
56.96555	1.2
60.04535	0.8
65.03937	0.6
67.05483	1.1
69.03429	0.7
69.07069	0.6
70.06596	0.7
71.04985	0.5
71.36563	0.9
74.02434	0.8
79.05479	1.1
81.03416	0.8
81.07059	1.8
83.04958	0.5
84.08151	0.5
84.96079	0.6
85.02902	1.4
86.09715	0.6
88.03912	0.4
91.05466	1.5
93.07042	1.2
93.51393	0.3
95.04993	0.4
95.08612	1.6
97.02913	0.7
97.06519	0.9
98.97589	2.4
105.07016	1.3
107.01096	1.8
107.04985	0.5
107.08585	1.1
109.02885	0.6
109.10138	0.7
109.16029	0.4
110.97592	0.5
111.08105	0.3
116.07200	0.4
116.98620	1.0
117.03312	0.4
117.07047	0.6
119.04942	0.5
119.08575	0.8
120.08112	0.9
121.02907	1.0
121.06523	0.5
121.10155	0.7
127.03914	0.8
131.08551	0.5
133.02879	0.9
133.10123	1.0
134.10452	0.6
137.05968	0.7
137.09666	0.5
145.02824	0.5
145.10136	0.5
147.04414	0.8
149.06067	0.6
161.05971	0.7
165.05566	0.5
167.07059	0.5
177.05460	0.6
181.04901	0.4
193.15866	0.4
203.03593	0.5
203.05255	2.0
207.06491	0.5
219.01813	0.8
228.56180	0.5
229.12000	0.7
237.02846	0.7
247.13075	2.3
288.12207	0.5
291.38437	0.4
295.05954	0.5
323.08136	0.5
325.07108	1.6
335.09201	0.5
339.08453	0.5
341.09070	0.6
349.06903	0.5
355.26761	0.8
363.08823	0.5
373.28036	0.7
391.07968	2.2
391.28790	0.6
409.10574	4.0
409.18344	100.0
410.11273	0.4
410.13168	0.4
410.18668	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	409.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	34.3
56.05027	5.5
56.05852	11.2
56.96564	2.8
57.03435	3.7
58.99588	22.7
59.99923	2.5
60.09789	1.7
60.99162	4.7
61.01121	1.9
62.74840	1.7
63.24393	1.6
64.24870	1.6
67.05486	4.0
68.05026	1.8
68.30811	1.9
69.03451	2.4
69.07056	3.2
70.01385	1.6
70.06585	4.7
70.13796	3.8
70.14186	3.7
72.08186	3.2
73.01148	2.0
76.02229	8.6
76.04016	5.6
78.01815	4.3
79.05495	4.8
80.05028	2.2
81.03403	2.1
81.07068	10.1
82.07400	3.7
83.04977	2.6
83.06094	3.0
83.08626	38.2
84.04508	33.5
84.08164	4.6
84.08961	20.5
84.27420	2.2
85.02907	5.3
85.04832	10.1
86.09698	6.2
86.99061	13.1
88.02216	4.8
88.98607	2.6
91.05466	3.5
93.07027	3.1
95.04982	4.3
97.02922	4.8
98.09692	2.9
98.30906	2.0
98.97591	3.1
99.05590	3.0
99.08132	2.0
101.09660	2.1
102.05556	2.5
105.07029	4.2
107.04976	1.9
107.08569	3.6
107.44355	1.8
109.10155	2.9
111.04411	1.9
116.01688	60.7
117.02063	18.7
118.01273	9.2
119.04945	2.5
120.08096	4.5
129.06572	4.3
129.10240	2.2
130.05023	6.2
133.10147	2.7
136.07591	4.7
142.03238	2.9
144.01152	32.4
145.01495	10.0
145.06239	1.9
146.00768	4.1
146.06036	2.6
147.04472	2.0
158.10699	2.0
159.08408	34.1
160.06802	2.3
160.08749	27.3
162.02209	100.0
163.02567	45.3
164.01700	8.9
176.10976	4.0
177.05487	2.8
181.04582	2.4
185.04173	2.6
201.12233	2.0
207.06490	1.9
229.08678	1.7
247.05795	4.2
249.54166	1.8
250.40939	1.8
260.11362	3.2
261.10855	8.6
262.11078	44.4
263.11401	44.4
279.13702	7.8
280.14093	18.7
289.05408	3.0
334.15189	15.3
365.11935	2.4
409.11102	38.5
409.18628	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	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
56.91342	0.5
56.96572	0.6
57.03418	0.5
67.05497	3.7
69.07056	1.0
71.04980	0.6
71.59492	0.7
79.05492	1.6
81.07045	2.0
83.08559	0.6
91.05468	1.7
93.07036	2.5
95.08601	2.1
105.07021	1.0
107.08609	1.5
109.10163	2.6
111.08039	0.6
119.08583	0.9
121.10126	1.5
131.08572	1.2
133.10130	1.0
135.11708	1.4
145.10146	1.3
157.10120	0.6
159.11757	0.8
161.09642	0.7
256.61221	0.6
284.45544	0.5
306.45355	0.5
349.16934	3.5
367.17722	0.9
368.98544	0.6
409.25641	100.0
410.26007	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23830	0.4
67.05498	0.7
69.07063	0.6
70.83693	1.1
73.89707	0.4
79.05482	0.5
80.56091	0.5
81.07040	1.6
91.05457	0.6
93.07045	0.7
95.08591	0.8
105.07050	0.6
107.08549	0.5
109.10165	0.8
117.07008	0.5
121.10137	0.8
138.25653	0.4
145.10117	0.5
168.62753	0.5
248.11226	0.5
275.19995	0.6
309.16672	0.6
349.16727	0.6
409.25623	100.0
410.26065	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53511	0.4
55.05504	0.7
56.96564	0.4
67.05526	0.8
67.39034	0.5
69.40343	0.4
69.64381	0.4
69.83808	2.1
75.96011	0.4
79.05507	0.4
98.21447	0.5
109.10149	0.5
134.31580	0.6
159.11772	0.5
195.11586	0.5
245.50603	0.4
267.76254	0.5
295.15305	1.3
409.25635	100.0
410.25952	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	409.2563
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
54.33147	0.4
56.96568	0.8
67.05505	0.8
70.76101	0.8
70.76429	0.6
70.86770	0.4
81.07061	1.2
88.55430	0.6
93.07018	0.7
95.08607	1.0
97.44192	0.5
99.20087	0.4
99.83363	0.5
107.08608	0.6
109.10124	0.8
117.46577	0.5
209.95145	0.5
213.07962	0.6
229.07730	0.5
243.14629	0.6
247.08740	0.8
269.13623	0.7
271.37201	0.4
346.31299	0.5
349.16916	1.1
353.21585	0.7
409.25644	100.0
410.26105	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23444	0.3
54.79554	0.4
55.05506	0.7
56.96571	0.5
67.05498	1.1
69.07069	0.8
70.01327	1.1
70.01736	0.8
79.05490	1.0
81.07065	1.6
91.05495	1.0
93.07045	1.2
94.95658	0.4
95.08598	1.3
97.06517	0.6
105.07046	1.1
107.08624	0.6
109.10181	0.9
119.08597	0.7
121.10162	0.5
131.08537	0.5
133.10165	0.9
135.11713	0.5
143.08582	0.5
145.10114	0.7
147.11757	0.4
159.11717	0.7
173.13132	0.5
173.51749	0.4
246.22418	0.4
269.10617	0.5
285.37766	0.5
391.26151	0.5
397.07367	0.3
409.25653	100.0
410.26132	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03947	3.3
54.67038	2.3
55.05512	22.7
55.85358	1.5
57.07098	8.6
59.05003	3.5
65.03924	3.8
67.05504	19.9
69.03438	6.0
69.07089	9.3
70.17670	3.1
70.18027	7.5
71.05009	1.9
71.08636	2.2
79.05506	19.7
81.03410	2.5
81.07057	30.0
83.04975	4.9
83.08618	2.2
85.06541	4.3
91.05482	33.5
91.06004	3.2
93.07048	43.3
95.04972	44.4
95.08607	27.9
97.06532	7.3
100.54572	1.5
101.08247	1.6
103.05454	2.6
105.07037	100.0
107.04963	2.3
107.07941	3.0
107.08598	27.4
107.14514	1.8
109.06526	7.6
109.10169	10.4
110.54130	1.5
115.05474	3.4
117.07012	15.0
119.08582	64.9
121.06513	12.4
121.10148	14.2
123.08062	14.3
123.11712	1.9
128.06229	4.4
129.07004	7.6
130.07744	4.7
131.08562	22.2
133.06502	4.8
133.10143	19.1
135.08049	13.6
135.11699	4.6
137.09616	7.1
141.07011	2.4
142.07787	14.8
143.08548	18.3
144.09299	2.4
145.06470	2.8
145.10132	33.8
146.10884	2.5
147.08057	13.8
147.10629	2.1
147.11694	43.5
149.09625	13.8
149.13327	2.4
151.07599	13.7
153.09044	2.4
155.08548	6.0
156.09331	5.9
157.10133	20.5
159.08049	4.9
159.11690	14.2
161.09634	6.2
161.13235	5.4
163.11140	3.9
163.14671	2.2
165.09113	27.6
167.08586	3.3
168.09329	3.9
169.10135	6.9
170.10852	2.2
171.11671	8.8
173.09636	4.2
173.13278	8.6
174.10422	2.0
175.11177	31.5
175.14821	3.0
177.09068	3.4
178.09831	2.4
181.10121	4.1
181.12279	2.2
182.10922	2.2
183.11673	10.9
185.09673	2.0
185.13255	4.3
187.11166	3.7
187.14824	2.6
189.12764	5.9
191.14288	2.5
193.12080	1.9
195.11714	3.0
197.13326	2.3
198.31007	1.7
199.11169	3.0
200.12140	1.9
201.12753	10.2
201.16341	4.7
203.14314	14.3
207.11957	2.6
207.13824	7.1
209.13426	2.7
209.15421	2.5
211.14844	5.5
215.14352	2.4
219.13860	4.0
220.03537	1.7
221.13417	2.1
221.15366	50.4
223.14769	2.6
229.15851	4.8
231.13812	3.5
233.15541	2.1
234.16173	17.3
281.19095	2.7
287.20126	5.7
300.20981	4.4
329.21042	4.2
391.26123	4.1
392.31308	2.1
409.27011	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01865	2.7
55.05512	22.7
57.07064	7.4
59.04998	3.4
65.03909	3.3
67.05509	28.4
69.03421	8.5
69.07055	10.2
69.23647	25.4
71.04974	3.0
79.05493	30.3
80.26728	2.3
81.07059	39.9
83.04990	7.3
83.08597	4.8
91.05480	42.3
93.07053	51.4
95.04359	3.0
95.04974	57.2
95.08600	36.2
97.06528	9.1
103.05444	7.1
105.07037	100.0
107.08601	32.9
109.06543	12.9
109.10149	10.1
111.08087	3.2
115.05460	5.0
117.07040	17.3
119.04927	3.0
119.08584	65.7
119.63157	2.7
121.06512	22.1
121.10158	21.9
123.08055	20.6
123.11722	3.2
128.06239	4.3
129.06981	8.6
130.06525	7.5
130.07805	4.8
131.08566	23.3
133.06490	5.3
133.10143	22.5
135.08026	17.9
135.11702	6.0
137.09605	9.0
141.06985	5.8
142.07791	17.2
143.08557	20.4
144.09378	4.5
145.06444	3.8
145.10127	48.4
146.10924	4.1
147.08063	21.6
147.11697	31.7
149.09612	11.3
151.07533	21.7
151.11163	3.8
153.09067	3.9
155.08556	8.3
156.09325	4.9
157.10155	23.6
158.10841	3.0
159.08061	7.2
159.11688	19.8
161.09653	8.3
161.13193	4.2
163.11179	9.2
165.07043	3.6
165.09135	34.0
167.08519	4.3
168.09297	4.0
169.10139	15.0
171.08070	3.5
171.11652	12.3
173.09593	6.9
173.13301	13.5
175.11234	24.0
177.09087	3.8
181.10233	5.9
181.12083	3.9
183.11737	13.0
185.13239	9.3
187.11157	5.8
187.14819	5.7
189.12704	10.1
189.16484	2.6
193.10135	3.8
195.11658	8.9
196.12529	2.5
197.13249	4.0
199.14883	3.1
201.12752	9.5
203.14325	13.9
207.13824	9.1
209.13245	4.9
211.14880	8.5
217.55304	2.7
219.13873	4.1
221.13350	3.1
221.15353	64.8
223.14749	2.9
227.14355	5.3
229.15886	9.0
233.15370	4.3
234.16069	15.6
253.15906	4.3
271.16962	3.2
281.18958	3.9
286.19275	4.7
287.20111	6.1
300.20895	5.5
312.20563	2.9
329.21225	3.9
391.26266	6.1
409.12799	4.3
409.27231	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05515	19.1
57.03450	1.9
57.07073	6.7
59.05011	2.8
65.03941	2.0
67.05511	24.3
69.03427	7.9
69.07071	10.4
71.11989	3.6
71.12338	2.7
77.03884	1.7
79.05493	22.5
81.03423	2.7
81.07060	33.5
83.04979	6.5
83.08602	5.9
85.06543	6.8
91.05486	36.2
93.07049	51.8
95.04974	48.3
95.08611	33.9
97.06548	6.9
97.10136	1.9
103.05466	2.5
105.04570	1.8
105.07038	100.0
107.08587	26.6
109.06519	10.3
109.10165	15.6
111.08066	2.3
115.05479	1.9
117.06999	11.6
119.04955	2.8
119.08584	63.6
121.06512	15.8
121.10146	17.1
123.08059	14.0
123.11713	4.2
128.06218	5.1
129.07016	6.0
130.07773	4.2
131.08569	19.2
133.06487	6.6
133.10136	18.1
134.65926	1.7
135.08063	13.0
135.11707	7.3
137.09628	9.7
141.07021	3.0
142.07793	12.2
143.08594	14.8
144.09355	2.3
145.10132	35.0
146.10909	1.7
147.08037	16.4
147.11703	40.3
149.09633	11.3
151.07527	15.2
155.08557	7.9
156.09361	4.1
157.10147	19.3
159.08083	6.1
159.11757	12.2
160.08881	2.7
161.09622	7.0
161.13261	5.3
163.11139	3.5
165.09129	25.7
166.43138	1.9
167.08560	3.5
168.09352	3.9
169.10188	6.4
170.10832	2.3
171.11691	9.4
173.09648	6.6
173.13300	4.8
174.10362	1.9
175.11209	27.3
175.14842	2.4
177.09126	6.1
179.08582	1.8
181.10106	4.6
183.11661	8.9
185.13269	5.4
187.11203	4.9
187.14842	4.0
189.12766	5.1
189.16418	3.0
191.17979	2.1
196.12523	3.1
197.13347	2.8
199.11214	4.2
199.14690	2.2
201.12732	6.3
201.16418	5.0
203.14317	13.3
206.11066	2.0
207.11903	2.1
207.13809	7.3
209.13322	4.0
209.15331	3.4
211.14825	4.6
219.13918	4.4
221.15370	57.7
227.14401	2.1
229.15891	5.6
230.53387	1.8
231.13876	4.5
233.15363	3.3
234.16145	16.3
234.32709	1.8
286.19431	2.8
287.20145	8.3
300.20822	3.7
329.21097	6.1
391.26331	5.0
409.27203	33.1
409.34814	5.3
418.10120	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	3.2
54.20107	1.6
55.01867	2.9
55.05518	16.3
55.83463	1.5
57.07074	7.7
59.04997	3.4
65.03931	2.6
67.05514	22.1
69.03430	6.4
69.07079	11.7
69.33583	15.2
79.05500	24.2
81.03411	2.4
81.07062	39.0
83.04978	5.1
83.08637	2.8
85.06521	4.0
91.05485	40.8
93.07051	58.7
95.04977	42.9
95.08606	39.3
97.06527	11.2
97.10179	2.4
99.47142	1.8
103.05473	4.3
105.07037	100.0
105.45748	1.8
107.08612	23.8
109.06542	11.2
109.10157	18.9
111.08072	3.6
113.09646	1.7
115.05465	3.8
117.06999	16.4
119.04944	2.7
119.08590	61.4
119.09441	3.5
120.09363	2.2
121.06528	16.8
121.10152	19.9
123.08076	19.0
123.11706	4.5
128.06224	4.3
129.07019	9.6
130.07805	4.9
131.08575	25.3
132.09406	1.8
133.06502	5.0
133.10149	20.7
135.08089	12.6
135.11688	8.6
137.06010	1.8
137.09633	7.7
137.28989	1.8
139.33566	1.7
141.07005	3.5
142.07791	11.8
143.08540	22.8
144.09372	2.7
145.06487	2.6
145.10121	34.9
147.08038	15.7
147.11691	36.8
147.26131	2.1
149.09633	11.3
149.13220	2.4
151.07535	23.5
153.07027	2.0
153.09111	3.1
155.08607	9.1
156.09328	5.5
157.10141	23.0
158.10947	1.8
159.08087	5.9
159.11707	17.9
161.09647	7.2
161.13272	7.3
163.11198	6.4
165.09116	33.0
167.08609	2.7
168.09377	8.3
169.10126	10.9
171.11674	11.2
173.09637	6.3
173.13275	10.5
175.11203	22.5
175.14839	2.6
177.09106	4.8
181.10107	6.1
181.12233	3.0
183.11694	12.3
185.09677	3.5
185.13277	5.8
187.11241	5.5
187.14830	2.9
189.12817	5.7
191.42720	2.1
193.10091	1.7
194.10933	1.8
195.11699	4.3
197.13324	3.6
197.53127	2.0
199.11186	2.9
199.14758	2.0
201.12770	10.0
201.16464	2.7
203.14345	14.9
207.13712	9.7
209.13310	2.5
209.15344	2.7
210.99023	1.6
211.14778	9.3
213.12738	1.9
215.14415	2.7
219.13884	2.5
221.15373	59.5
222.77483	1.7
223.14848	4.4
229.15894	7.1
231.13805	3.8
233.15425	2.9
234.16208	10.4
235.14832	2.2
239.14482	2.0
245.73410	1.9
269.19293	1.9
271.17172	2.2
286.19315	4.8
287.20001	7.6
299.20190	2.8
300.20981	5.3
329.21078	4.8
335.20102	2.1
353.20972	2.4
391.26126	5.7
409.27298	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	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.3
57.03427	2.9
57.07079	100.0
66.11638	2.7
67.05509	16.7
69.07076	16.7
71.08636	85.5
74.39091	2.6
79.05489	9.0
81.07059	35.1
83.04954	2.7
83.08609	15.6
83.12849	2.5
85.10189	44.9
89.06000	3.3
91.05484	8.4
93.07038	14.3
95.08612	49.7
97.10172	6.9
99.11676	3.1
105.07044	16.8
107.08605	24.7
109.06478	3.0
109.10151	20.3
117.06992	4.2
119.08578	17.6
121.10140	19.5
123.08072	3.2
123.11707	8.9
127.14869	2.7
131.08560	9.3
133.10126	6.9
135.08144	6.2
135.11688	10.4
137.06004	6.6
137.09637	3.9
137.13249	14.2
139.07718	3.0
145.10086	12.7
147.11716	5.9
149.05994	7.6
149.09625	11.9
149.13234	6.6
151.07553	44.1
153.09070	3.6
159.08031	4.1
159.11690	9.4
161.13252	4.8
163.07524	20.8
163.11168	6.9
163.14891	3.6
165.09116	37.9
173.13268	7.7
173.22223	3.6
177.09119	27.4
179.10742	14.2
181.08643	5.5
183.11829	2.5
187.11153	6.1
187.14821	5.7
191.10661	15.8
193.12222	5.5
195.10201	5.2
201.12750	6.1
205.12219	8.7
207.13817	3.8
215.14401	4.8
215.18021	4.2
219.13902	6.8
223.13499	3.9
229.15887	5.2
233.15308	6.0
236.32205	3.0
237.14769	5.0
247.16792	3.4
261.18677	4.1
279.19647	3.0
315.58578	2.6
351.44125	3.0
358.96817	2.7
362.06360	2.8
391.35883	6.1
409.38397	7.4
423.39548	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	409.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09562	9.6
55.01872	22.1
55.05519	59.2
57.07086	70.3
67.05503	35.3
69.07072	100.0
69.74097	10.3
71.08630	46.8
79.05482	15.2
81.07072	72.6
83.08627	70.5
85.10184	24.3
86.09718	16.5
91.05466	18.7
93.07052	43.2
95.04997	17.7
95.08617	70.1
97.10180	66.3
99.87419	9.4
103.41476	10.1
105.07024	33.1
107.08619	53.1
109.10170	36.6
111.11720	36.5
119.08582	37.9
121.10132	27.1
123.08072	13.1
123.11708	27.6
125.02393	55.0
125.13245	11.5
127.03905	35.5
131.08571	22.5
133.10155	28.2
135.07979	15.5
135.11739	23.8
139.07530	22.9
145.10126	31.6
147.11646	17.0
149.09621	14.8
157.10158	23.7
159.11739	23.4
161.13350	17.6
163.11215	16.5
163.14833	16.5
169.08655	25.6
171.11610	16.8
173.13333	11.6
175.14830	16.0
177.09143	36.9
177.16429	10.8
181.70204	9.7
183.10168	12.3
191.62271	10.2
195.10191	32.7
201.16464	12.4
213.16531	12.7
248.93294	10.5
255.20866	12.4
269.22845	11.6
274.07010	11.4
335.25760	13.0
373.31036	47.9
391.32004	90.9
409.34744	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	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.99158	1.4
55.05513	8.8
57.06821	1.7
57.07080	28.5
60.45115	1.3
67.05505	16.6
69.07082	16.3
70.71735	3.3
71.08635	20.7
79.05495	9.7
81.07063	66.8
82.07429	1.4
83.08626	10.1
85.10190	10.4
91.05474	5.2
93.07069	15.3
93.07634	2.0
94.78828	1.3
95.08614	100.0
97.10165	5.8
100.58208	1.2
105.07042	10.3
107.08601	24.7
109.10170	33.3
111.11730	2.7
119.08595	13.4
121.10144	19.5
123.11721	20.9
131.08597	6.6
133.10139	11.8
135.11703	17.5
137.13266	53.6
145.10103	6.1
147.11728	9.6
148.94200	1.3
149.09573	1.4
149.13264	14.8
151.07561	11.4
151.14824	5.6
159.11731	4.4
161.13239	6.3
163.07574	6.0
163.14844	7.6
165.09160	9.3
173.13243	5.2
173.41800	1.6
175.14841	8.3
177.09145	9.4
177.16417	5.0
179.10725	3.2
187.11255	1.7
187.14835	5.4
189.16365	6.7
191.10768	2.2
191.17970	4.0
193.12178	1.8
193.19514	2.5
201.16405	4.6
203.17976	5.4
205.19554	2.7
215.17955	6.2
217.19522	6.4
219.13763	1.9
229.19592	6.9
231.21056	3.2
233.15218	1.8
243.17593	1.5
243.21161	3.3
247.16925	2.0
257.22647	6.2
259.24179	7.9
271.24210	7.7
273.25958	1.5
285.25833	1.8
409.38486	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
55.87768	2.6
57.03439	4.7
68.99784	2.4
69.03432	11.6
70.06602	2.8
70.92297	6.6
71.04987	4.1
73.02916	3.1
81.03432	10.7
85.02916	21.4
87.00842	8.7
97.02934	13.6
99.04454	3.7
103.04002	2.9
103.05515	3.2
105.01860	3.8
106.94305	2.5
109.02898	7.1
112.89716	2.4
115.05507	2.8
117.05790	2.5
117.07069	7.2
118.06573	3.8
120.66272	2.5
126.21665	2.4
127.03939	11.6
129.07025	9.6
130.06546	14.1
132.08104	3.9
143.07335	20.8
144.08101	84.8
144.09213	4.6
145.04982	6.3
145.12277	3.6
156.08086	23.5
157.08847	4.5
158.09673	81.8
159.02927	5.5
160.07658	8.9
162.09192	8.2
167.07368	8.6
168.08096	18.0
170.09708	5.3
172.07579	3.8
174.09190	7.3
177.05484	2.8
180.08185	4.1
181.08806	2.8
182.09763	3.5
183.06883	2.5
184.07584	23.0
186.09157	78.3
196.07527	4.0
196.11240	4.4
198.09145	3.4
204.10216	56.8
210.09047	4.8
224.10876	5.6
228.10196	3.7
248.13326	2.4
252.10310	10.3
270.11353	9.7
288.12430	2.7
312.12268	3.6
330.13425	4.3
356.11450	7.4
366.23090	6.2
374.12469	33.6
392.13455	35.1
392.18188	4.2
410.18823	100.0
410.25259	13.1
411.19861	10.5
420.47726	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	410.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
57.07069	0.3
58.06604	12.2
59.07385	9.7
63.96900	0.2
67.05513	0.4
69.07050	0.3
69.44047	0.2
69.44386	1.8
70.06595	0.6
79.05495	0.2
81.07063	0.6
83.08606	0.4
83.88332	0.2
85.02956	0.3
91.05491	0.5
93.07059	0.4
95.08606	0.3
100.07628	0.5
100.11252	1.4
105.07055	0.4
107.04910	0.2
109.06541	0.2
109.10107	0.3
118.08661	100.0
119.08986	0.8
120.08965	0.3
146.61334	0.2
149.02361	1.2
150.45964	0.2
182.15440	1.3
184.16998	1.8
193.04979	1.7
199.18025	0.3
210.14998	0.3
212.16479	1.3
309.21823	0.9
410.29041	41.6
410.33630	1.9
411.29440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61883	0.1
56.96560	0.2
58.06602	8.0
59.07386	6.5
62.79002	0.1
67.05513	0.1
70.19611	0.1
70.51275	0.2
70.75813	0.2
70.76147	0.3
81.03452	0.2
91.05507	0.2
118.08662	100.0
119.09002	0.5
229.07552	0.2
269.10428	0.2
369.19513	0.4
387.20465	0.3
410.29031	5.1
411.29355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.0
57.06812	2.7
57.07075	36.6
67.05502	5.3
69.07047	5.7
71.08636	27.5
73.06544	4.9
79.05489	1.8
81.07046	5.0
83.08610	2.6
85.10178	19.0
87.04475	2.4
89.06034	100.0
90.64715	1.7
91.05490	4.2
93.07035	6.6
94.07352	2.0
95.04956	7.0
95.08616	5.8
96.26180	1.9
97.10163	2.7
99.11715	5.0
105.07052	10.6
106.07358	3.4
107.07118	2.6
107.08583	6.3
109.10136	3.5
117.09170	1.6
119.08561	7.7
120.08924	4.0
121.10163	2.6
131.08560	2.1
133.08604	44.7
133.10112	2.5
135.08093	1.8
142.07695	2.2
143.08575	2.1
145.10097	3.4
146.10394	2.2
147.08044	1.9
147.11678	3.2
151.07585	2.2
151.09619	3.3
154.94070	1.9
155.17960	4.7
165.09122	1.9
175.11180	2.9
177.11203	11.7
183.11501	2.1
188.15242	2.7
195.12109	2.5
222.15666	3.8
229.14186	2.3
239.14902	23.7
243.23149	4.1
281.02814	1.9
287.25919	2.0
349.29434	1.8
393.32092	28.0
410.27591	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	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05493	0.9
56.96567	0.7
57.03420	0.9
57.55767	0.6
58.06582	0.9
61.02908	1.3
67.05489	1.5
69.07074	0.8
70.06560	1.5
71.39384	0.7
72.08145	0.7
73.02909	0.9
79.05472	1.9
81.03380	1.0
81.07040	1.7
82.06526	0.9
84.04492	0.9
84.08150	0.7
85.02865	2.5
86.92124	0.8
87.00804	0.7
91.03934	0.7
91.05457	1.5
93.07025	1.3
95.04964	1.2
95.08595	1.4
97.02857	1.1
98.97576	1.4
100.11209	1.8
105.07014	1.0
107.08600	1.4
108.08120	0.9
109.02838	0.7
110.06023	1.6
110.47606	0.6
116.98499	0.6
124.07537	2.9
126.09184	3.3
127.03896	1.1
129.12639	0.6
134.09622	1.1
136.07555	1.7
138.09094	2.4
145.04893	0.7
147.09122	1.8
149.10732	0.7
152.06984	1.0
152.10637	1.9
163.03914	0.9
164.06967	0.7
166.08649	4.2
167.07005	1.2
186.12674	0.9
188.14267	1.5
191.08046	1.7
201.03702	11.2
203.05280	47.5
213.18526	0.9
222.55255	0.7
231.10002	8.3
231.14862	1.8
232.09685	1.8
233.11510	4.4
249.16054	5.7
252.06102	0.7
273.16046	3.7
281.14896	0.9
291.10648	2.2
291.14130	1.1
291.17026	15.3
309.11520	1.0
320.84100	0.8
325.13809	2.0
357.17780	1.2
385.21170	0.7
394.12421	0.9
411.15942	100.0
411.32941	2.9
412.16409	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76301	0.5
55.05511	0.7
56.05026	0.4
56.96540	0.5
57.07079	0.5
65.46532	0.4
67.05488	0.7
69.07082	0.7
70.06602	2.4
70.72169	0.9
70.72507	0.8
72.08158	0.9
79.05489	0.6
81.07043	0.7
83.04984	0.8
84.04505	0.5
84.08135	0.8
85.02934	1.0
85.06553	1.0
86.09694	0.5
91.05475	1.4
93.07048	1.0
95.08562	0.9
97.02895	0.6
98.97577	1.3
105.07024	0.6
107.08646	0.5
116.98531	0.5
118.97528	0.4
119.08652	0.5
129.10301	1.0
131.08563	0.6
134.22475	0.5
147.04367	0.6
161.05916	0.7
163.03896	0.4
163.69908	0.5
203.05270	24.6
213.18546	1.4
231.09970	3.2
231.48366	0.4
246.10316	0.5
249.09705	0.7
267.10840	0.9
291.10809	1.2
309.11850	1.1
324.07886	0.4
361.36844	0.4
411.16278	100.0
412.16479	1.6
429.24142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.7
57.03422	1.2
60.57537	0.9
61.02917	3.2
62.06083	1.3
69.03426	7.1
71.20773	1.9
72.04514	13.5
73.02898	1.3
74.06078	0.9
81.03394	2.8
82.50396	0.8
82.60485	0.8
85.02905	16.4
97.02884	5.8
98.20893	1.2
98.97556	1.0
99.04443	1.4
109.02859	2.9
117.03418	0.9
117.05723	2.2
118.05032	20.7
118.06525	17.2
124.99172	1.1
127.03914	2.8
130.06537	2.7
132.08089	81.0
133.08435	1.7
135.04391	1.3
142.06477	1.5
143.07339	1.9
144.08086	14.2
145.04927	2.4
146.06010	58.8
147.04402	1.0
150.05499	1.8
156.08104	1.9
158.08351	1.3
163.03934	4.8
168.08067	1.2
170.05977	4.2
188.07066	93.3
189.07381	1.2
196.48753	0.9
203.11818	5.5
219.06566	4.4
220.19890	1.0
224.11383	0.9
237.00664	2.0
249.12357	100.0
250.12695	2.3
254.98009	1.1
255.01796	1.4
258.11240	2.2
276.12186	2.1
354.66809	0.8
411.17599	10.6
429.06903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	33.3
57.03436	35.7
61.02928	20.2
65.03921	13.5
68.48515	12.4
69.03436	85.4
69.71820	13.4
70.06596	39.4
71.05014	13.1
71.59378	24.0
72.08151	24.6
73.02908	55.5
74.06071	22.0
79.05479	28.3
81.03431	45.0
81.07067	82.9
83.04992	100.0
84.08146	21.6
85.02905	83.2
86.09701	18.0
87.63863	14.7
89.03938	15.7
91.05466	26.0
97.02889	80.5
98.97588	41.7
99.04490	14.4
107.04948	16.5
109.02850	16.0
109.10160	14.4
110.07161	20.9
115.03957	31.5
116.98641	23.0
117.03387	22.1
119.04933	28.1
121.02848	19.6
127.03927	38.1
133.04962	13.6
135.04353	17.5
137.05966	25.6
145.01082	16.3
145.02879	41.3
145.04939	17.0
147.04410	28.9
148.44980	16.7
151.07518	17.8
162.05469	24.7
163.03877	87.1
163.05957	24.7
167.07045	23.8
168.76799	13.2
170.99564	18.9
177.05446	64.4
187.07610	18.5
193.08614	15.0
205.04993	16.6
213.10419	13.7
219.01781	22.6
219.06551	32.3
237.02866	30.3
249.07591	21.5
255.01819	17.9
281.52972	14.2
364.09586	17.4
411.16241	53.3
422.65485	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	411.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.7
56.96565	38.4
57.03432	41.1
65.50893	13.2
69.03423	67.2
70.06583	43.6
70.87261	46.4
71.04963	24.6
71.88425	13.9
72.08149	23.4
73.02916	38.4
74.06064	16.3
79.05486	31.4
81.03436	38.4
81.07064	74.5
83.04980	78.2
84.04500	25.8
84.08122	39.6
85.02915	100.0
86.09691	19.1
91.05485	23.4
96.27755	15.1
97.02903	71.5
98.97567	54.4
99.04477	19.4
99.65874	13.8
107.04974	23.0
109.02912	20.8
110.07143	24.7
115.03951	39.3
120.08044	22.4
127.03896	40.8
131.04944	18.0
133.04944	29.8
135.04422	25.3
137.05978	36.5
145.02876	46.9
145.04947	27.1
147.04373	17.7
158.99615	25.3
161.05971	22.3
163.03893	84.8
163.07530	18.8
177.05502	71.4
219.01848	14.2
219.06581	21.9
235.99539	16.3
249.12495	24.2
273.02539	15.8
275.08414	16.2
411.11984	26.8
411.17072	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	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72401	0.5
69.03415	0.7
70.06606	0.7
70.95127	1.1
76.43837	0.5
81.07039	0.6
84.04527	0.6
85.02905	0.9
91.05529	0.6
94.07787	0.5
97.02884	0.8
98.97615	0.5
103.53233	0.5
105.07021	0.8
127.03832	0.6
130.04997	0.6
145.04840	0.6
173.09451	1.0
203.05270	4.5
231.13602	7.1
249.14627	0.8
279.42722	0.5
335.09583	0.5
353.11752	0.8
353.15567	3.7
367.20755	0.8
411.19894	100.0
412.20111	2.7
420.55209	0.6
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	diflorasone
Peak:m/z	Relative Intensity
55.01870	0.5
55.05489	0.6
57.55384	0.4
61.02938	0.4
67.05492	0.5
69.03429	0.8
69.50157	1.1
69.50584	1.4
70.06598	0.4
72.08173	0.6
73.02932	0.7
78.24435	0.4
81.03422	0.4
81.07050	0.5
84.02703	0.3
85.02914	1.8
86.09706	0.5
91.05521	1.8
93.07034	0.4
95.05014	0.3
95.08646	0.4
95.72331	0.3
97.02892	1.2
105.07020	0.7
109.02900	0.6
120.08111	0.4
127.03938	1.0
131.08548	0.4
132.95805	0.3
133.04977	0.5
140.10732	0.4
145.04955	0.6
155.03136	0.4
158.97421	0.3
163.03905	0.4
168.10248	0.5
182.15501	0.5
186.97087	0.4
210.14969	0.5
224.32333	0.3
233.11710	0.8
249.11186	1.1
249.14397	0.4
325.03723	1.4
381.19098	0.6
411.19910	100.0
412.20300	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	411.199
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.04372	0.2
63.55658	0.3
69.03429	0.3
70.50690	0.9
70.51028	0.3
81.03406	0.3
85.02911	0.4
95.04975	0.3
97.02878	0.3
121.60611	0.2
145.12206	0.6
165.09285	0.3
249.14752	0.9
367.17307	1.4
367.22702	0.4
393.18988	1.5
411.19904	100.0
412.20401	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	411.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01870	0.5
55.05504	1.5
56.05015	0.7
56.96554	0.7
57.03434	1.0
58.06606	0.6
61.02914	1.4
67.05495	1.8
69.03424	2.0
69.07039	0.9
70.06609	1.0
70.39046	2.0
73.02906	0.6
79.05497	2.2
81.03416	2.6
81.07062	3.5
82.06588	0.8
83.08636	0.8
84.04492	1.9
85.02899	2.8
87.90065	0.5
89.53436	0.5
91.05472	2.4
93.07031	2.0
94.06572	1.9
95.07369	0.7
95.08604	1.4
96.04480	2.1
96.08157	2.4
97.02924	2.8
97.06520	0.8
97.08911	0.6
97.68112	0.5
98.06051	1.1
100.01338	0.5
103.03922	1.1
105.07030	1.1
106.06571	0.9
107.04929	1.0
107.08591	0.6
108.08127	5.5
109.02871	1.4
109.06521	1.7
109.08914	0.5
109.10176	0.6
110.06039	8.2
110.09684	3.8
111.04409	0.7
112.78840	0.5
117.03400	0.7
120.08102	1.8
121.02833	0.5
121.10120	1.1
122.06017	1.2
122.09711	0.5
123.06807	0.7
124.07600	15.6
125.08389	7.7
126.09162	15.0
126.10091	0.7
127.03909	1.3
133.10120	0.8
134.09659	4.8
135.04408	1.1
135.08072	0.5
136.07596	7.2
136.11218	1.1
138.05498	2.9
138.09142	9.7
141.07013	0.5
144.08052	0.5
145.02867	1.0
146.09650	0.8
148.07568	1.5
150.09189	0.7
152.10715	10.5
158.09700	0.9
159.08063	0.6
160.11237	1.0
162.09158	1.5
163.03932	8.0
164.07074	1.9
164.10675	1.1
166.08652	19.4
167.09447	2.4
173.12018	1.2
174.09148	0.8
174.12805	0.6
176.10637	0.9
186.12762	3.1
187.13567	0.6
188.10747	2.0
188.14398	5.7
190.08614	1.7
202.08675	0.9
204.10092	1.1
204.13878	1.4
211.50227	0.5
213.13881	0.7
214.12277	1.9
221.16440	0.7
227.15460	0.7
229.13286	0.5
230.14191	2.5
231.09329	1.2
231.15022	8.6
232.09726	4.6
232.13329	2.0
233.10402	0.8
247.14085	0.6
249.16023	24.5
250.10759	1.2
255.14789	1.1
263.17615	2.5
273.15994	22.5
274.14355	1.1
291.17041	100.0
292.14157	0.6
292.17307	1.7
297.16135	0.9
315.17078	1.7
345.18088	1.1
357.18231	2.4
375.19003	1.6
393.20215	1.8
411.20270	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	411.2721
Annotation	Asbestinin-25
Peak:m/z	Relative Intensity
55.05509	1.5
56.96577	1.4
57.07077	0.7
67.05506	2.8
69.07075	1.6
71.05000	0.8
71.17774	1.9
79.05488	2.1
81.07065	4.2
83.05037	0.9
83.08624	1.7
91.05466	2.0
93.07054	2.7
95.04930	0.8
95.08617	1.9
97.10201	0.9
98.97591	1.2
105.07040	2.0
107.08585	2.2
107.45200	0.8
108.86775	0.8
109.10173	2.5
118.08693	0.7
119.08652	1.4
121.10136	0.9
123.11669	0.8
133.10146	1.6
135.11719	1.3
141.49385	0.7
145.10132	1.2
149.13193	0.9
157.10150	1.6
158.99696	0.9
159.11688	1.2
161.13229	0.7
173.13274	1.0
175.68710	0.7
219.01791	0.8
411.27206	100.0
412.27237	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	411.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61609	2.5
53.03930	3.9
55.01851	2.8
55.05514	27.6
57.03423	3.6
57.07068	6.3
67.05512	43.9
69.06745	3.8
69.07073	32.1
69.55345	2.5
71.04987	3.9
71.61440	3.4
79.05495	28.9
81.07063	81.2
83.04983	4.6
83.08643	15.3
85.06537	6.8
91.05482	41.2
93.07053	34.8
95.04954	5.0
95.08610	100.0
97.06542	15.6
97.10177	10.2
99.08082	9.8
105.07032	51.5
106.07372	5.3
107.08582	22.5
109.06517	6.1
109.10145	14.0
111.08083	6.6
113.09627	3.8
117.07023	4.3
119.08585	52.0
121.06476	3.1
121.10155	22.2
123.08041	6.9
123.10032	3.7
123.11741	6.2
127.11267	2.9
130.06503	3.7
131.08554	8.0
133.10133	32.8
135.08067	3.9
135.11719	25.5
137.09644	3.1
137.13245	15.0
143.08598	4.1
145.10101	11.0
147.11703	6.2
149.13261	4.0
159.11696	8.3
161.13271	86.0
171.11752	3.8
173.13309	4.6
179.14337	62.4
185.13242	3.1
187.14871	4.4
197.13197	2.7
197.15355	10.7
203.17938	3.2
213.16251	3.0
357.27637	5.8
375.28903	4.5
393.26031	3.3
411.18643	2.7
411.28400	11.6
411.36469	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	411.326
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
55.05504	13.4
57.07061	12.8
62.04805	4.1
67.05506	20.8
69.07067	40.2
71.61372	4.3
79.05486	15.0
81.07061	60.2
83.08612	11.2
85.06552	11.7
91.05487	10.9
93.07063	21.5
95.08040	6.0
95.08614	100.0
97.10163	5.6
103.88990	3.8
105.07016	20.3
107.08585	33.2
109.10158	38.6
117.06994	5.9
119.08598	25.9
121.10143	44.3
123.11708	24.1
131.08583	8.4
133.10165	23.2
135.08093	4.2
135.11728	21.5
137.13245	32.2
138.91066	4.1
145.10129	20.8
147.08046	4.3
147.11670	10.6
149.13284	10.4
157.10184	9.3
158.07222	4.9
159.11664	6.0
161.13246	15.4
163.11183	4.4
163.14798	10.3
171.11726	5.6
173.08250	5.5
173.09642	59.0
173.13269	9.5
175.11177	14.7
177.16408	7.4
185.13286	5.5
187.11201	5.5
187.14799	9.2
188.89328	3.6
189.16344	7.0
189.60007	3.7
191.10693	39.1
191.17923	10.0
199.14998	4.1
201.16536	5.2
203.18004	8.2
213.12660	4.6
215.14352	4.8
215.17885	4.7
217.19478	4.1
220.51280	3.9
229.19591	4.4
243.21062	9.4
301.21671	5.1
311.95596	4.0
323.27234	9.0
324.28040	5.3
363.42191	4.3
383.32944	5.6
393.31470	18.1
411.32431	75.6
411.37048	4.5
412.32962	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05513	11.2
57.07076	9.9
67.05504	21.1
69.07077	21.0
71.05003	4.5
79.05517	11.6
81.07066	67.1
83.08616	8.8
85.06539	14.0
91.05484	5.7
93.07046	16.8
95.03435	2.3
95.08613	100.0
97.10172	5.2
105.07030	14.2
107.08612	22.3
109.10168	36.8
111.38135	2.3
117.07034	2.3
119.08588	9.9
121.10169	21.0
123.11713	27.6
131.08559	7.7
133.10150	9.9
135.11713	12.7
137.13263	62.5
139.50737	2.1
143.08551	3.8
145.10115	10.7
147.11729	7.9
149.13248	9.9
151.14854	5.4
157.10106	4.1
159.11716	7.0
161.13280	10.3
163.14835	4.2
165.80899	2.5
173.09683	2.7
173.13269	7.4
175.14879	7.1
185.13287	3.5
187.14812	5.2
189.12840	2.9
189.16437	4.4
191.10718	3.5
191.17943	9.1
199.39795	2.9
201.16422	6.2
203.18030	4.5
205.19518	5.5
213.16599	2.6
215.17886	5.3
217.19548	4.2
243.21082	13.2
255.21078	5.2
269.22601	3.7
393.35120	10.2
411.31757	9.8
411.36298	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
53.12998	1.0
53.32800	1.1
55.01871	3.0
55.05519	6.2
55.06101	1.3
57.03179	2.3
57.03442	33.8
59.04987	1.1
61.02931	16.4
67.05502	2.1
69.03436	37.2
69.07085	3.0
70.06594	9.8
70.10692	3.4
71.01358	3.1
71.05000	8.3
72.08118	1.3
73.02921	67.2
76.02229	1.2
78.05738	1.2
79.05484	1.6
81.03426	8.3
81.07054	3.3
83.04980	1.7
83.08620	6.3
84.08139	2.8
85.02910	100.0
86.09698	5.0
86.81209	1.2
87.04467	4.5
91.03948	4.3
91.05500	2.4
93.07020	2.9
95.04982	1.8
95.08620	2.6
97.02902	50.3
98.97549	1.7
99.04458	4.3
101.09634	1.9
104.10769	2.9
105.01868	1.5
105.07033	1.8
107.08604	2.0
108.08099	2.0
109.02898	8.6
110.07182	2.7
111.08097	1.5
112.87533	1.2
113.09674	1.4
115.03946	38.1
117.29863	1.1
123.08051	1.2
126.85004	1.3
127.03927	25.6
129.09174	1.1
132.06587	1.4
133.04996	13.3
135.02995	2.9
139.07584	3.0
141.09128	2.2
143.01894	1.2
143.96123	1.3
145.04964	42.2
147.04428	1.6
150.07625	3.7
152.05688	21.6
153.04185	2.0
157.28148	1.2
163.06023	17.8
177.05434	1.8
184.07477	2.2
207.06570	1.8
209.11687	2.9
217.07397	1.7
219.01796	1.7
223.06038	4.0
227.12827	2.8
241.07040	3.1
245.13756	2.1
245.64931	1.5
259.08118	3.5
263.14902	3.6
295.10269	2.3
300.97784	1.4
354.16223	1.4
380.19238	2.0
394.20712	1.9
408.77371	1.3
412.20068	25.4
413.21713	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	412.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.4
61.02908	11.6
65.03927	15.5
67.05489	34.6
69.07051	20.9
71.79385	12.6
79.05476	25.1
81.03459	10.0
81.07053	37.4
83.05012	12.4
83.08607	16.8
85.74975	9.4
87.80375	11.8
91.05466	31.1
93.07049	47.6
95.08604	37.5
97.06550	15.0
100.46530	9.7
101.82267	10.0
105.07034	33.1
107.04984	12.7
107.08576	31.9
109.10139	18.9
119.08560	12.7
121.06465	11.2
121.10153	26.9
127.65889	9.2
131.08582	21.9
133.10126	26.0
135.11694	11.3
139.61212	9.6
145.10115	22.7
147.11678	10.7
149.02327	56.7
149.09607	12.4
149.13277	12.5
174.57912	10.7
179.14185	11.0
193.04996	38.2
229.25571	13.3
275.20053	36.3
303.38449	9.6
349.23746	100.0
412.33829	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	412.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09771	0.2
55.05487	0.3
56.96553	0.6
57.03440	0.2
58.06601	8.3
59.07108	0.4
59.07386	6.3
67.05492	0.4
69.03400	0.3
69.07092	0.3
69.47828	0.8
69.48252	1.0
72.13036	0.2
79.05494	0.4
81.07055	1.0
85.02941	0.3
87.14381	0.2
91.05491	0.5
92.75008	0.3
93.07101	0.3
95.04980	0.3
95.08597	0.8
105.07012	0.4
107.08624	0.6
109.10201	0.6
118.08661	100.0
119.08954	0.8
121.10188	0.5
133.10117	0.3
139.16605	0.2
159.08086	0.2
223.69659	0.3
229.54427	0.3
371.72757	0.2
412.30582	11.8
413.31006	0.5
436.11035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15596	0.1
58.06602	7.9
59.07385	6.4
67.05500	0.2
69.07077	0.2
69.83976	0.6
79.05499	0.3
81.07091	0.2
93.07054	0.2
95.08620	0.2
98.20726	0.2
98.97602	0.2
105.07076	0.2
107.08607	0.2
118.08664	100.0
119.09053	0.8
127.19577	0.1
135.11780	0.1
147.04491	0.2
183.45503	0.1
311.12405	0.1
383.13458	0.1
408.02512	0.1
412.30557	5.7
413.31088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46493	1.2
56.96566	1.6
57.55270	0.9
69.03432	4.2
71.00626	2.3
84.08144	1.4
85.02912	3.7
89.03938	2.6
95.04973	1.6
97.02893	2.6
98.97596	5.5
110.07148	1.2
115.03902	1.1
116.98606	2.0
117.03393	1.9
135.04445	2.3
137.06026	1.2
145.02859	2.2
147.04433	3.1
158.99680	1.3
161.05864	1.0
163.03914	10.8
185.04230	1.1
189.06625	1.4
192.07338	1.8
205.04762	10.5
219.01831	1.1
237.02783	1.7
250.08224	1.2
251.08888	8.5
257.03290	1.2
290.31650	1.0
413.14236	100.0
414.14703	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	413.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01872	5.9
55.05500	1.5
57.03426	3.0
61.02922	2.8
66.04729	1.2
67.02667	1.2
67.05496	2.7
68.99776	2.1
69.03423	12.9
69.07061	1.8
71.04984	1.6
71.60229	1.6
73.02904	4.2
79.05485	2.6
81.03419	13.6
81.07040	4.6
83.04987	1.7
84.57234	1.1
85.02412	2.1
85.02904	27.3
87.00824	11.5
87.04457	1.7
91.05483	5.9
93.07038	3.5
94.04166	3.4
95.04952	1.4
95.08608	1.5
97.02898	8.6
98.97582	1.2
99.04444	5.4
103.03954	2.7
105.01894	6.0
105.07030	4.7
107.08589	2.6
109.02887	10.5
109.10195	1.3
115.03943	3.1
115.05443	3.0
117.01849	2.0
117.07011	4.9
119.08614	2.3
122.03651	10.0
127.03929	14.7
128.06207	1.6
129.01826	2.4
129.07002	2.9
131.08542	3.4
133.06479	1.5
137.05980	100.0
143.08597	1.5
145.05000	5.6
145.06487	7.7
147.02942	1.2
147.08115	1.4
151.03876	4.2
157.06456	4.3
158.07333	1.4
159.02888	6.0
159.08028	2.5
159.11679	1.8
161.05992	2.6
161.09721	1.2
165.05708	1.1
165.09131	2.1
167.08496	2.0
169.06505	1.2
171.07996	1.6
174.06711	3.2
175.07545	6.4
177.09123	11.0
179.64406	1.1
189.09084	11.3
190.09601	1.2
191.10683	1.7
193.08636	3.6
195.08029	1.7
199.07454	1.4
201.09061	2.7
205.08638	1.2
207.10162	3.7
213.09154	2.8
215.10547	1.3
217.08612	2.1
219.10110	2.4
227.10768	2.8
229.08701	1.7
231.04900	2.4
231.10176	3.8
255.10123	3.6
273.11243	4.9
291.12253	1.5
377.12396	1.5
413.12164	2.7
413.17023	2.1
413.21667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.5
56.05042	10.6
56.96559	16.0
57.03429	6.4
61.01142	8.0
68.98315	4.7
69.03412	13.5
69.27705	10.5
69.28110	42.5
70.06596	57.2
72.08125	4.4
73.02917	10.6
79.05458	5.0
79.22313	4.5
81.03414	11.3
83.04980	6.1
83.08626	26.2
83.67106	4.7
84.04503	5.6
84.08133	22.9
85.02895	16.7
89.03913	18.5
91.05495	8.6
97.02897	10.1
98.97572	17.6
101.09647	20.8
102.05524	5.3
104.05299	12.9
107.04948	7.3
107.08601	5.5
108.64047	5.0
115.03925	5.3
116.98631	7.1
117.03365	12.2
119.04913	4.2
119.10703	4.5
120.01237	4.3
120.05624	8.0
121.02907	6.7
124.07587	9.7
127.03955	5.3
128.98570	4.7
129.10239	11.2
133.02817	6.1
133.05968	6.2
135.04422	22.6
136.06186	41.6
136.07121	5.4
136.07547	5.8
137.05951	10.5
139.78610	4.6
145.02837	21.1
145.14981	4.6
146.06146	8.3
146.78311	4.9
147.04366	7.3
150.05446	5.5
150.07770	6.9
154.08635	7.9
162.04114	27.7
163.03905	100.0
164.04266	8.1
176.87697	4.4
177.05508	14.8
203.05293	28.4
213.12378	6.6
218.99620	5.9
233.07819	7.8
237.02783	9.2
246.34529	5.2
268.78708	5.0
281.09927	19.8
283.88846	4.5
299.05557	13.6
413.08734	8.0
413.13943	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03437	0.7
60.19506	0.5
62.53288	0.4
67.05491	0.7
68.99791	0.9
69.03428	0.6
69.64385	3.1
70.06573	0.6
72.08139	1.6
79.05483	0.6
81.03427	1.4
84.33389	0.4
85.02905	1.7
86.09713	0.4
86.28138	0.4
91.05505	1.4
93.07079	0.6
96.45679	0.5
97.02879	0.6
98.21416	0.4
98.97596	0.8
101.71346	0.4
107.04936	0.6
119.04877	0.7
119.08583	0.5
121.02872	1.3
123.00760	0.6
127.03874	0.5
129.58130	0.4
131.04953	0.9
135.04414	1.1
137.02368	4.3
137.03331	0.8
137.05956	0.7
141.01845	1.3
145.02905	0.5
147.04439	0.8
161.02411	0.9
163.58144	0.5
165.01855	8.0
177.05502	1.5
179.03326	0.7
183.02922	1.8
184.07341	0.5
187.03894	1.0
190.02692	0.6
202.08597	0.6
203.03357	0.9
205.05023	1.2
207.06549	0.7
215.03484	0.8
215.70233	0.5
220.09827	0.7
229.04877	0.6
230.08203	0.7
259.09680	5.5
272.12891	1.4
279.06598	0.6
283.05966	1.3
286.04755	0.6
287.05704	3.1
295.06042	2.0
297.04279	0.8
297.07651	1.7
299.05511	40.9
300.05997	1.4
309.07657	1.1
311.05569	3.2
311.09171	1.6
313.06985	2.1
321.07526	2.3
323.05481	2.3
324.06320	1.9
325.03406	1.5
325.07126	3.3
327.05069	1.0
329.06729	0.9
337.07111	2.7
339.04935	0.8
339.08643	12.9
339.13623	0.7
349.06946	2.4
353.06616	2.5
365.06570	8.5
367.08157	3.0
369.15283	2.6
377.06693	3.9
383.07626	3.5
395.07614	9.8
395.20114	0.5
413.09396	15.1
413.14548	4.4
413.21490	100.0
414.09088	0.6
414.22076	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76234	0.4
52.12378	0.4
60.03134	0.4
60.42217	0.5
63.51788	0.4
69.03430	0.8
69.65214	2.2
70.06589	0.5
77.83741	0.4
79.01855	0.5
81.03433	0.6
84.05840	0.4
85.02920	0.9
86.09699	0.7
89.47601	0.4
91.05481	0.5
93.07065	0.4
97.02897	0.5
97.28937	0.4
98.21479	0.6
109.02888	0.5
119.04884	0.4
131.04916	0.6
137.02318	2.0
165.01825	1.9
181.94142	0.5
183.02917	0.4
184.07436	0.7
187.03787	0.5
195.63214	0.5
203.05292	0.7
205.04916	0.6
237.15598	0.4
243.06413	0.4
271.06119	1.0
272.06750	0.8
287.05621	0.7
295.06049	0.6
299.05542	13.4
300.06201	2.7
311.05588	3.7
311.08951	0.5
313.07056	0.7
321.07623	0.6
323.05530	0.9
324.06445	0.9
325.07227	1.1
329.06546	0.9
337.06906	0.5
339.04987	0.5
339.08679	7.4
339.13120	0.6
339.14349	0.5
353.06616	0.8
365.06549	1.9
367.07996	2.1
373.44644	0.5
377.06622	0.5
383.07568	2.2
395.07455	4.3
395.20276	0.5
413.09003	16.9
413.21527	100.0
414.09155	0.6
414.21997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
57.03431	0.7
59.69392	0.5
61.01531	0.5
67.05507	0.7
69.03430	0.6
69.74023	1.4
69.74416	1.4
70.06596	0.6
72.08151	1.3
84.04457	0.5
84.08183	0.6
85.02917	1.2
86.09713	1.1
91.05488	1.6
95.04993	1.1
98.21526	0.6
98.97626	0.7
100.11254	0.8
105.07063	0.7
107.08609	0.6
114.09181	0.8
128.10695	1.1
135.04453	0.7
137.02386	1.5
142.08629	0.9
145.10143	0.7
147.04433	0.7
152.05693	1.7
156.10225	0.7
159.08119	0.5
163.03874	0.5
165.01865	1.6
167.07010	0.6
177.05452	1.1
184.07437	1.3
203.05299	2.5
223.77599	0.6
233.15121	0.9
257.07892	0.5
271.06137	0.7
287.05359	0.8
299.05496	9.8
300.06345	1.5
304.53976	0.6
311.05576	2.0
311.09076	0.6
323.05698	0.9
324.06165	0.6
325.06918	0.7
329.06485	1.1
339.08688	3.9
339.14337	1.0
349.07153	0.6
353.06506	1.1
365.06616	1.6
367.08136	1.8
383.07745	1.3
395.07541	2.9
413.09189	9.5
413.21533	100.0
414.21799	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	413.3054
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
55.05505	2.0
67.05506	4.5
69.03414	0.9
69.07069	4.1
71.21680	1.4
79.05489	3.6
79.64025	0.8
81.07056	8.5
83.05003	1.0
83.08625	2.0
85.06543	1.3
91.05469	4.8
93.07040	8.3
95.04946	1.0
95.08599	8.6
97.06520	2.3
98.84101	0.8
104.84237	0.9
105.07026	9.4
107.08595	12.1
109.06526	1.6
109.10170	7.3
111.08139	0.9
117.07047	1.5
119.08586	12.8
121.06543	1.0
121.10139	9.6
123.08070	2.7
123.11718	3.1
125.09648	1.8
128.06206	0.9
129.07010	1.4
131.08592	4.5
133.10127	14.2
135.08092	2.1
135.11705	5.7
137.09595	1.2
137.13240	1.4
140.43677	0.8
141.78664	0.8
143.08536	1.7
145.10130	8.8
147.08134	1.0
147.11691	12.9
149.09651	1.1
149.13264	3.1
151.11201	1.6
155.08546	0.9
156.09367	1.0
157.10187	3.1
159.11671	7.6
161.09602	1.5
161.13268	3.7
163.11143	5.3
165.12714	1.2
169.10159	2.2
171.11734	4.0
173.13275	4.8
175.07648	0.8
175.11179	5.3
175.14839	4.6
177.12799	6.2
183.11691	1.6
185.13351	2.1
187.11188	1.1
187.14842	3.5
188.45982	0.9
189.12730	5.2
189.16391	2.6
191.14319	2.6
193.12263	0.9
197.13281	1.0
199.14897	2.9
201.16382	4.4
203.14371	1.9
205.15833	4.3
211.14888	1.6
213.16420	2.3
215.17978	2.0
217.15930	2.8
219.17465	1.9
221.15369	0.9
223.14742	1.2
225.16302	2.1
243.17485	1.7
255.17224	1.1
353.28464	1.6
377.28265	3.8
395.29465	6.5
395.33792	1.0
413.30560	100.0
414.30862	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	413.3415
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
50.60632	0.8
51.50906	0.8
53.03950	2.1
55.05516	5.3
57.07072	7.2
59.42420	0.7
65.03937	1.2
67.05505	17.8
68.91801	0.8
69.03433	1.1
69.07063	11.2
69.52645	5.9
71.08614	1.8
79.05492	7.0
81.03401	1.2
81.07059	68.8
83.04984	1.2
83.08618	5.7
85.02854	0.8
85.06517	0.8
91.05482	4.2
93.07038	13.3
95.08607	100.0
97.10162	2.3
105.07039	8.1
106.39217	0.8
107.08585	10.9
107.99531	1.0
108.72032	0.7
109.10152	26.4
111.08041	1.3
111.11714	1.8
117.07008	0.9
119.08591	5.9
121.10154	9.9
123.11709	19.3
131.08572	2.1
133.10127	5.6
135.11708	9.9
137.13257	72.1
139.07564	0.8
143.08540	0.9
145.10127	2.6
147.11656	5.3
149.13251	9.5
151.14810	5.9
156.79904	1.0
157.10107	1.9
157.76845	0.8
159.11693	3.4
161.09612	1.0
161.13269	7.2
163.11191	1.0
163.14850	2.9
165.09244	0.9
171.11732	2.2
173.13246	2.6
175.14795	2.6
177.16376	2.1
179.17944	2.7
185.13297	1.3
187.14822	1.7
189.12830	1.0
189.16414	2.9
191.18031	1.1
193.12183	1.4
193.19560	2.4
199.14856	1.3
201.16359	1.7
202.08391	0.8
203.17865	1.8
205.12285	0.8
205.19554	1.9
207.13820	1.8
215.18050	1.2
217.15855	1.4
217.19542	7.9
219.13811	1.6
227.17873	4.0
229.19516	2.2
233.15430	2.7
235.17017	0.9
243.17380	1.2
243.21194	1.3
245.19032	8.1
257.18912	1.3
257.22330	0.8
261.18539	3.1
263.20032	1.8
275.20013	2.9
303.95035	0.9
367.33701	1.1
395.33273	2.0
413.21768	2.0
413.34393	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49027	1.8
53.03943	3.9
55.05515	17.7
57.03444	1.8
57.07067	6.0
63.75639	1.6
67.05509	31.4
69.03424	2.9
69.07071	35.8
73.94604	1.9
79.05491	24.7
81.03419	1.8
81.07062	63.7
83.04980	4.3
83.08620	20.5
85.06561	2.1
91.05482	19.4
93.07050	36.0
95.04959	2.3
95.08611	77.5
95.63573	1.8
97.06530	3.3
97.10162	7.9
99.08095	3.2
101.09698	2.0
105.07043	33.4
106.94904	1.7
107.08602	40.8
109.10156	53.5
111.08076	4.2
111.11732	7.6
117.06995	5.4
117.96461	1.9
119.08587	29.7
121.10149	35.0
123.11734	14.0
125.09621	3.5
127.26966	1.7
129.72665	1.8
131.08607	9.1
133.10143	31.5
135.11703	45.6
136.18631	1.6
137.13239	7.1
143.08545	2.8
145.10130	13.4
147.10648	2.3
147.11707	36.7
149.13266	24.2
159.11731	16.8
161.13261	45.9
162.43834	1.7
163.14848	14.4
171.11659	3.6
173.13231	7.7
175.08168	1.7
175.14850	20.6
177.16368	5.4
187.14809	7.5
189.16385	15.0
199.14815	2.6
201.16357	11.2
203.17993	12.1
205.15974	2.4
213.16353	2.1
215.17961	20.3
217.19579	4.0
223.17017	2.6
229.19482	5.1
235.16936	3.9
237.18451	3.7
241.19514	2.6
243.21120	8.1
244.10687	1.7
249.18550	9.7
251.20074	4.5
257.22650	15.3
263.20084	5.0
265.21707	2.5
268.73685	2.3
277.21561	8.3
303.23193	7.7
317.24686	2.3
324.37793	2.1
331.26279	10.1
357.27798	2.3
395.33395	3.8
395.73196	2.2
413.34372	100.0
414.34293	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	413.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05515	55.6
57.03427	14.0
57.06818	3.4
57.07078	47.5
62.22596	3.1
65.03944	3.5
67.05520	26.3
69.03424	5.5
69.07072	65.2
69.55248	7.5
69.55656	19.3
69.75790	2.8
71.04976	5.1
71.08631	32.7
72.08141	3.1
79.05483	13.2
81.07065	46.6
83.05004	5.6
83.08623	39.0
85.06557	4.6
85.10195	20.5
91.05467	8.0
93.07041	24.5
95.08614	44.4
97.06527	11.5
97.10168	31.8
98.20734	6.6
101.06028	4.6
105.07021	9.9
107.08599	19.7
109.10143	19.6
111.08060	10.2
111.11726	13.2
117.06983	3.7
119.08578	7.0
121.10172	20.3
123.11696	11.3
125.09624	5.6
129.06927	3.3
133.10133	12.6
135.11702	20.9
137.13243	7.5
139.11177	6.4
142.16493	3.2
145.10144	5.6
147.11711	7.3
149.13245	15.6
153.12746	6.2
159.11671	9.5
161.13228	3.9
163.14801	7.3
167.14310	6.2
171.11644	4.6
177.04156	4.5
177.16388	5.2
229.41164	3.5
303.30396	7.6
321.31558	19.2
395.29764	6.4
395.35083	15.8
413.30701	18.7
413.36398	100.0
414.30255	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	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09069	3.3
56.96557	7.1
57.03441	30.6
61.02920	11.2
62.95895	3.5
67.00953	3.0
67.23994	3.3
69.03437	49.9
70.06592	15.7
71.01369	5.9
71.04977	5.3
71.59245	5.2
73.02920	62.5
81.03420	8.7
84.08136	4.9
85.02905	100.0
85.06554	20.9
86.09718	3.7
87.04482	6.7
90.72985	3.1
91.03930	3.7
91.05479	4.6
91.69250	3.6
94.79858	3.2
97.02894	58.1
97.74784	3.8
98.97565	6.0
99.04441	6.3
109.02886	9.2
109.49437	3.2
110.07133	4.2
112.05674	3.5
115.03937	51.9
117.03394	4.8
121.02916	4.2
121.06522	4.2
127.03939	25.8
133.04976	11.6
136.06163	6.6
145.04974	55.2
159.06821	4.8
163.03905	15.7
163.05977	17.2
170.94897	3.4
170.99649	4.3
177.05467	5.1
189.00931	3.2
199.09566	5.4
200.71106	3.6
216.64873	3.8
229.10838	16.7
241.07127	6.8
243.10902	3.8
253.21808	3.4
259.07968	5.2
268.53357	4.0
411.77594	3.8
414.17297	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60131	4.4
55.05498	8.8
67.05502	23.7
69.07071	15.0
71.08626	14.7
71.59731	6.8
76.70418	5.3
79.05488	24.5
81.07071	29.0
83.08637	9.2
90.44199	5.7
91.05479	18.6
93.07058	33.2
95.08624	27.8
99.08092	9.0
105.07040	17.1
107.08589	19.4
108.08852	5.4
109.10163	14.4
113.05492	5.3
119.08596	61.0
121.10133	16.9
125.00076	4.9
131.08611	5.9
133.10155	7.9
135.11722	15.1
138.12572	4.8
145.10098	9.5
149.13217	8.7
161.13249	10.9
179.14336	41.6
266.21448	5.9
277.21619	22.7
336.16898	7.0
351.25323	100.0
364.08603	5.9
365.68298	6.1
397.16486	10.9
414.26581	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	18.3
56.29520	9.6
56.96561	17.1
58.46436	9.7
59.92434	8.6
66.81481	8.4
67.05509	27.2
69.07059	17.1
71.08620	11.7
71.59612	11.8
71.60015	14.0
77.95103	8.9
79.05492	19.5
79.64365	11.1
81.03465	15.4
81.07056	33.7
82.93830	9.3
83.39654	8.5
85.02906	12.9
90.14430	8.9
91.05463	16.2
93.07040	21.1
95.08619	21.4
103.53844	9.2
105.07066	11.8
107.08611	23.2
119.08591	100.0
121.10188	19.9
131.08620	14.0
133.10130	15.8
138.50064	9.4
147.11703	14.0
149.09602	11.5
155.24370	10.8
157.10173	13.6
246.58017	12.2
349.16763	12.6
367.17841	17.2
412.36551	10.8
414.27582	14.0
414.35797	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14964	10.1
55.05506	13.7
56.96561	11.5
67.05495	28.0
69.07077	19.7
69.93262	33.6
69.93678	21.9
79.05492	20.1
81.07050	45.3
86.09710	15.5
91.05484	21.2
93.07049	34.5
95.08610	45.4
98.20784	17.6
105.07036	19.9
107.08588	43.8
109.10181	12.5
119.08595	55.9
121.10141	51.3
122.10506	20.6
131.08575	16.6
133.10127	27.9
135.11659	40.2
147.11673	12.0
151.11115	10.8
161.13300	10.3
163.11142	15.6
164.22029	10.3
179.14342	38.3
189.16359	20.0
190.16803	14.3
191.10789	20.2
207.17393	16.9
208.17708	11.5
243.17978	9.5
262.52551	11.0
277.21603	46.3
292.53036	9.8
351.25369	100.0
414.30954	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77447	0.6
55.05513	21.8
57.06817	0.9
57.07078	12.4
58.06594	2.1
67.05511	3.5
69.07072	32.1
70.02959	0.6
71.08642	9.3
79.05486	1.2
81.07052	5.7
83.04939	0.6
83.08627	26.7
85.10184	5.3
91.05450	0.6
93.07055	1.5
95.08615	5.0
97.10179	19.8
98.16151	0.6
102.05550	14.3
104.07112	100.0
105.07469	0.6
107.08600	2.4
108.13876	0.5
109.10170	3.0
111.11726	9.2
119.08591	1.4
121.10151	2.2
123.11691	0.9
125.13291	3.1
130.05078	0.7
135.11707	1.6
139.14824	1.3
148.06013	0.8
163.14772	1.1
177.16301	0.7
209.19167	0.8
219.20966	0.6
224.21054	0.5
275.27377	3.4
291.92856	0.5
293.28394	9.1
295.93350	0.5
336.32516	0.7
364.31873	0.7
396.34756	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13045	8.5
55.01872	9.7
55.66528	8.5
56.96554	35.6
57.03439	12.3
61.02915	11.2
69.03421	36.3
69.80177	32.1
69.80570	15.2
70.06597	27.3
72.08145	10.5
72.92240	7.9
73.02895	13.2
76.13439	8.3
83.59000	10.0
84.08142	21.2
84.96037	15.1
85.02927	54.7
86.09690	14.9
97.02891	32.8
98.21123	27.5
98.97580	92.9
99.04433	12.1
110.07150	18.1
110.97588	19.0
112.85784	11.2
116.98630	50.7
118.08646	17.6
119.01894	19.1
120.01941	8.2
121.02862	29.1
121.07659	9.3
122.06062	11.2
123.04400	11.1
127.03885	20.8
128.98601	25.2
131.01900	11.9
133.03441	12.6
135.04338	11.4
136.06198	54.4
137.06590	16.3
143.01891	18.3
145.01692	17.8
146.99698	18.1
147.04434	11.4
150.05501	31.8
151.03891	20.7
152.05695	74.3
155.01851	11.1
158.99699	15.8
161.02997	23.4
162.05443	13.5
163.02696	18.6
163.03943	34.8
166.07228	28.4
167.07016	25.1
169.03467	9.3
170.99663	13.2
173.02988	11.0
177.00745	15.2
177.05510	9.9
184.10869	9.3
219.01787	43.2
229.00269	15.8
235.02753	14.4
236.63025	8.7
237.02800	32.4
244.06789	25.9
245.05028	12.8
252.99786	9.8
253.04008	22.6
269.03473	9.9
271.01279	11.5
277.03870	12.7
280.06699	11.9
283.04950	10.5
295.04489	14.7
337.05789	11.0
355.02673	11.0
373.04434	40.1
415.04709	15.5
415.09915	100.0
415.18396	11.8
426.91190	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64943	3.2
69.13077	2.8
70.11520	3.2
71.08932	6.6
74.09698	4.6
75.88067	3.4
156.04228	100.0
218.08731	4.0
229.67650	3.7
354.71127	3.2
367.24045	3.5
415.00156	5.4
415.10107	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	415.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15868	2.9
59.40831	2.6
63.41753	2.4
70.55187	2.4
70.79667	8.3
73.91452	2.3
74.09707	3.3
90.61089	2.6
98.54361	2.5
99.63226	2.6
118.08659	3.0
156.04214	100.0
185.32434	3.3
197.24146	3.6
245.50850	2.8
269.21967	3.1
269.67105	2.8
273.12003	6.0
317.15649	3.6
354.98859	3.3
415.00705	5.3
415.10022	48.8
415.64691	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	415.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33991	2.2
53.03940	4.3
54.14207	1.9
55.05508	8.7
56.96567	19.6
57.03432	4.0
59.05003	20.7
61.02917	3.3
63.53879	1.9
66.46658	1.9
67.05520	1.9
69.03444	14.2
70.06597	6.7
71.04993	3.2
71.59132	2.1
81.03425	7.2
83.04984	17.8
84.08130	4.0
84.96030	6.2
85.02908	25.7
86.06068	2.8
86.09689	3.3
89.06027	4.8
94.06568	4.7
97.02890	15.2
98.97586	34.9
99.04475	6.0
99.20715	2.2
101.06019	17.0
106.04384	2.2
107.04934	3.4
109.02896	6.7
110.07182	2.3
110.97581	8.1
112.99141	2.1
116.98643	15.6
119.07073	4.4
121.02880	3.0
122.06039	4.4
127.03916	12.8
128.98616	8.9
131.00182	2.6
134.99678	3.6
135.06514	3.2
137.06009	3.0
140.07076	3.6
143.00182	7.8
145.02852	3.1
145.04999	6.2
146.99661	3.5
150.05515	100.0
152.05688	2.4
152.98615	3.1
158.99701	5.8
159.06795	2.2
160.30214	2.2
161.01244	6.9
163.03909	8.7
164.04332	2.6
167.00258	1.9
167.07127	5.5
168.06551	28.4
170.99660	6.6
177.00694	4.1
177.05458	4.4
185.01195	3.2
189.00728	3.9
209.08151	2.7
210.99191	4.7
212.06242	5.7
213.00725	2.3
219.01797	17.1
227.02327	2.3
227.06860	4.2
227.09143	5.8
229.00217	22.5
229.72937	1.9
237.02902	16.0
245.10257	6.5
247.01288	2.7
253.00337	2.9
271.01398	5.1
305.13199	2.2
311.17392	2.2
344.97632	2.6
345.90762	2.1
355.03433	18.7
373.04468	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
51.81910	0.5
53.03947	1.1
55.05512	4.2
57.07068	1.0
57.34298	0.5
67.05502	6.6
69.07071	5.2
70.99800	0.7
71.00127	1.0
78.55096	0.5
79.05501	5.4
81.07061	13.0
82.83310	0.5
83.04988	1.1
83.08614	1.9
85.02896	0.5
85.06568	2.8
91.04948	0.9
91.05483	11.5
93.07050	12.0
95.04973	1.2
95.08032	1.0
95.08611	14.4
97.06523	1.4
97.10162	1.5
99.08128	0.5
101.06049	0.8
103.05461	0.9
104.06316	0.9
105.07040	10.7
107.08600	15.0
109.06475	0.8
109.10165	7.7
111.08113	1.1
117.07018	3.6
119.08588	100.0
120.08926	1.7
121.06472	0.8
121.10153	13.5
123.08108	1.0
123.11700	4.7
125.09615	0.5
129.07008	1.0
131.08572	2.5
133.06496	1.4
133.07448	0.5
133.10139	9.5
135.08054	1.0
135.11702	11.2
137.09639	0.5
137.13226	1.5
139.11208	2.6
142.07663	0.6
143.08621	2.6
145.10124	6.3
147.08037	0.9
147.11700	8.4
149.09627	0.7
149.13258	4.4
151.07613	0.5
151.11211	0.9
151.14867	0.6
152.29355	0.5
155.08575	0.6
156.09424	0.6
157.10126	2.9
159.11703	5.6
161.09618	0.7
161.13287	5.1
163.11253	0.9
163.14847	3.0
171.11700	2.9
173.09688	0.6
173.13286	3.4
175.11205	1.9
175.14848	2.9
177.12816	1.4
177.16397	1.1
179.14389	0.7
181.12216	0.7
183.11766	1.6
185.13301	1.8
187.11266	1.3
187.14749	2.5
189.12770	4.6
189.16362	4.8
191.14299	1.6
191.17896	2.5
193.12325	0.9
197.13387	0.8
199.14883	1.6
201.12747	0.6
201.16383	2.1
203.18030	2.2
205.15967	0.7
207.13829	0.7
207.17506	1.4
211.14853	0.6
213.16460	1.1
215.18068	1.3
217.19495	3.5
219.17455	0.6
229.15941	0.6
229.19463	0.7
235.17024	0.6
239.17987	0.6
241.19588	0.7
243.17516	0.8
255.21193	0.8
265.03305	0.5
283.20804	0.6
287.23346	0.6
303.23438	0.7
351.30560	0.7
361.29047	1.4
369.31714	1.8
373.71185	0.5
379.29993	6.4
397.31238	9.2
415.32285	19.1
415.37302	1.0
416.32593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3209
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
51.88465	0.6
53.54937	0.6
55.05506	2.5
57.07077	0.8
60.52299	0.6
67.05518	4.1
69.07066	2.9
70.30621	2.2
79.05494	3.2
81.07069	7.8
83.08627	1.7
85.06547	0.9
87.96160	0.7
91.05480	3.3
93.07052	8.8
95.08612	8.8
97.06554	1.6
97.10174	0.9
98.20791	0.9
98.98476	1.0
105.07043	6.2
107.08603	10.3
109.06548	1.7
109.10163	5.7
111.08083	0.9
117.07032	1.4
119.08585	19.9
119.09447	1.1
121.10137	9.7
123.11676	3.4
127.62216	0.7
127.64104	0.6
129.07024	0.9
131.08598	3.5
133.10143	10.0
135.08034	0.8
135.11687	6.4
137.09630	0.8
137.13289	1.8
143.08575	1.8
145.10132	7.4
147.11684	8.8
149.09666	0.9
149.13272	2.6
151.11243	1.1
155.08614	0.6
157.10162	2.5
159.11691	7.4
161.13269	4.7
163.11267	1.4
163.14885	2.5
165.12773	1.3
168.42355	0.7
169.10199	0.9
171.11700	2.1
173.13301	3.3
175.11209	2.9
175.14828	2.9
177.12779	2.6
177.16454	2.1
181.12389	0.7
183.11754	1.3
185.13321	1.6
187.11125	0.7
187.14897	3.0
189.12773	2.4
189.16388	4.0
189.81046	0.9
191.14384	2.8
191.67526	0.7
193.12199	1.0
197.13298	1.4
199.14865	1.8
201.12746	0.8
201.16412	6.4
203.14363	2.5
203.17923	1.6
207.17493	2.8
211.14864	1.0
213.16377	1.1
215.14317	0.8
215.18021	1.3
217.15981	1.3
225.16455	2.0
227.14409	0.9
229.15952	1.0
239.17947	0.9
243.17474	2.3
245.18980	1.2
261.22064	1.0
352.25629	1.1
379.29996	3.3
397.31158	1.6
415.32126	100.0
416.32309	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	415.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.8
55.68769	2.8
57.07077	3.8
58.99171	3.1
67.05512	31.7
69.07065	32.1
71.60606	3.2
77.85523	3.2
79.05489	9.0
81.07063	46.3
83.08620	10.2
91.05485	9.9
93.07037	24.9
95.08611	95.8
97.10173	6.8
97.11945	2.9
105.07026	10.2
107.08597	41.1
109.10161	100.0
111.11722	5.1
112.07787	2.9
119.07782	4.7
119.08595	78.8
121.10140	38.2
123.11709	20.3
133.10095	6.1
135.08070	3.7
135.11705	19.3
137.13287	5.6
141.09123	4.0
145.18254	3.2
147.11664	5.2
149.09718	3.6
149.13278	18.5
161.13261	8.6
163.14810	17.9
167.10655	6.4
177.16420	9.6
191.17961	14.6
203.17905	3.4
205.19531	28.8
209.15271	4.6
220.36440	3.2
250.93811	3.8
319.26260	5.0
405.87692	3.5
415.35568	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	415.3574
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03940	1.8
55.05520	9.4
57.07076	15.4
62.23234	1.4
67.05511	7.8
69.07072	21.8
71.04993	2.6
71.08640	10.6
71.61584	2.0
79.05495	5.4
81.07068	17.8
83.04987	1.9
83.08621	8.0
85.10175	8.1
85.77729	1.7
91.05444	9.4
93.07059	9.1
95.05000	2.2
95.08609	20.1
97.06504	2.5
97.10169	6.6
99.04459	2.5
105.07044	10.7
107.08601	11.5
109.06524	2.2
109.10161	12.9
111.11704	2.4
117.07066	1.9
118.62622	1.6
119.08592	67.9
121.06516	60.9
121.07194	1.3
121.10145	10.2
123.08089	3.8
123.11747	5.0
128.06255	1.7
131.08569	5.3
133.06400	1.5
133.10143	11.3
135.08029	4.3
135.11705	4.2
137.13219	2.2
139.18915	1.3
143.08568	5.9
145.10162	9.2
145.11099	1.6
147.08055	5.7
147.11633	7.4
149.09628	2.6
149.13281	3.6
157.10178	6.6
159.11719	9.0
161.09639	20.2
161.13275	6.5
163.11243	3.2
163.14906	2.3
169.10078	1.6
171.11751	4.2
173.13254	8.4
175.11243	5.8
175.14714	1.4
177.12897	1.5
179.10690	2.4
183.11726	1.6
185.13232	5.0
187.14848	3.8
189.12714	2.0
189.16432	1.5
189.38318	1.7
191.10654	1.9
197.13332	2.1
199.14841	6.7
201.12769	2.9
201.16463	2.0
203.14363	2.0
211.14928	1.6
215.14343	2.2
215.17986	2.1
217.15955	2.5
239.17824	1.7
257.19159	2.1
257.22647	2.1
285.22546	1.6
301.08545	1.8
301.29050	1.5
310.31122	3.1
339.30576	5.7
344.97446	2.4
355.33685	3.6
357.31674	4.8
379.33569	2.9
397.34772	12.6
415.35764	100.0
416.36063	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	416.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05509	0.4
56.96567	0.6
57.14670	0.4
59.04995	0.7
59.33923	0.4
67.05500	1.7
69.03423	1.0
70.06582	1.2
70.40253	1.0
73.02914	0.4
83.04971	0.6
84.08139	0.6
84.96029	0.6
85.02909	2.0
93.07048	0.6
94.06577	5.7
95.04977	0.5
97.02878	1.0
98.97587	2.4
106.06566	1.5
107.04964	0.6
107.29184	0.4
109.10189	0.4
110.97577	0.6
111.88030	0.4
115.03944	0.4
116.98648	0.6
117.03352	0.7
121.02879	0.6
122.06035	5.2
123.04448	0.8
127.03943	1.0
128.98584	0.8
133.74254	0.4
137.06024	0.6
140.07047	0.6
145.02792	0.6
145.04959	0.6
147.04456	0.5
147.25871	0.4
150.05511	100.0
151.05855	0.7
152.05751	0.4
163.03917	1.2
167.07050	0.8
168.06573	35.1
177.05463	0.9
227.66077	0.5
237.02843	1.2
237.07594	0.5
261.02579	0.5
374.04837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.352
Annotation	Hupehenine
Peak:m/z	Relative Intensity
55.05497	23.2
57.07063	10.3
60.04519	12.4
67.05502	40.6
69.07079	66.3
70.06592	10.0
71.45199	15.7
72.08148	8.1
79.05479	31.0
81.07069	100.0
83.08626	10.2
84.08133	30.4
85.06474	7.8
86.06079	10.1
91.05470	24.7
93.07037	57.5
94.06570	9.9
95.08618	53.3
96.08109	20.2
101.94270	6.2
105.07036	32.9
106.07265	6.8
107.08597	41.5
108.08111	16.8
109.10154	36.8
110.09650	12.4
113.18685	6.9
117.06998	7.1
119.08593	75.9
120.08875	12.4
121.06487	14.9
121.10172	34.3
122.09661	7.9
123.08072	12.0
123.11661	11.2
126.09164	14.7
131.08562	9.2
133.10123	21.3
135.11714	13.4
136.11218	20.0
137.13248	8.5
138.09108	11.0
143.08525	7.2
145.10109	18.9
147.11702	13.1
149.13200	15.6
151.07564	48.9
152.14355	17.6
159.11646	14.5
161.13287	10.4
172.65009	7.8
173.13245	10.3
185.13243	7.1
191.10637	8.6
194.15405	11.7
204.17442	8.4
220.20662	13.8
232.91241	7.2
240.45201	6.8
262.21658	8.1
272.23828	7.2
330.27985	10.7
340.29990	13.0
358.31235	6.6
380.33371	7.3
398.34268	85.2
416.36002	97.2
434.35474	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	417.1183
Annotation	Molludistin
Peak:m/z	Relative Intensity
53.03942	2.0
53.73699	0.8
65.03928	3.0
66.07063	1.0
67.05492	2.8
69.03425	4.0
69.07075	0.8
70.06596	1.1
70.46676	2.2
70.47072	1.8
78.04715	2.3
79.01843	1.2
79.05494	5.3
81.03405	2.7
81.07048	3.3
83.08612	1.1
84.08134	3.6
85.02903	3.2
91.05463	5.7
92.01024	0.8
93.03404	1.1
93.07071	2.1
95.04971	2.2
95.08612	1.9
97.06536	1.7
98.41636	0.8
98.97580	2.3
103.05467	6.8
105.07033	3.3
106.04158	2.1
107.04942	8.4
107.08568	1.1
109.02820	1.1
109.06496	1.2
109.10175	0.9
110.03645	1.8
111.04449	1.1
115.05431	5.3
117.07008	6.8
119.04953	3.1
120.05674	1.3
121.02856	10.6
121.06465	1.2
121.10163	1.4
123.04455	7.1
123.08088	1.1
124.05224	2.9
125.05943	2.1
129.06920	1.0
130.04161	1.0
131.04910	5.0
137.05946	1.5
138.03116	2.2
142.02655	1.2
143.04855	0.8
145.02916	1.4
145.06493	11.2
146.03632	0.9
147.04411	1.3
147.08011	1.1
148.05168	2.0
150.03027	0.8
151.03935	1.3
151.07533	1.1
152.04707	2.8
155.06049	3.5
159.08150	1.0
161.05937	1.2
163.03850	2.0
163.07530	4.0
165.01852	1.0
167.07040	100.0
171.06558	2.0
173.05977	12.8
175.03914	1.0
177.05504	2.1
179.07051	5.7
181.04956	43.0
182.05478	1.0
191.03462	1.4
191.07045	11.4
193.04906	1.3
193.08626	1.3
194.91441	0.9
195.06471	2.9
201.05557	1.3
205.08531	3.1
207.06509	5.3
207.10156	0.9
211.07648	1.5
213.05510	4.0
217.04933	1.0
217.08641	3.3
219.06563	2.7
221.04245	0.9
225.07404	1.2
227.07115	0.9
233.08070	9.1
235.07559	1.4
235.09688	4.0
243.06471	1.7
245.04399	2.5
247.07571	1.2
255.06512	4.7
256.07358	5.7
263.05450	1.6
267.06522	1.5
271.05972	1.7
283.06024	30.6
284.06763	26.2
285.07443	2.0
293.08047	1.3
294.08542	1.3
295.06009	7.5
297.07550	15.9
308.06934	1.1
309.07748	5.5
311.05490	2.2
311.08990	1.7
313.07065	55.6
319.09619	2.3
321.07678	1.3
325.06934	4.8
325.10666	1.8
327.08575	2.0
329.10471	1.0
335.09119	3.0
337.07037	21.4
337.10983	1.4
343.08197	6.3
353.10284	2.6
355.08145	1.1
355.11990	1.2
357.13440	1.2
363.08636	8.5
381.09674	43.1
382.10007	1.4
384.12152	1.1
385.12802	4.3
387.14417	12.3
399.10565	19.1
417.11685	49.7
417.15948	14.0
436.19464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	0.7
55.01868	0.7
65.03924	1.7
67.05497	0.8
69.03413	1.3
69.07051	0.9
70.11107	1.6
70.11482	0.7
71.98733	0.4
78.04713	2.5
79.05476	1.5
79.89704	0.4
81.03400	0.7
81.07042	0.8
82.04166	0.6
83.04963	0.6
85.02895	1.4
91.05492	1.9
95.04943	1.6
97.06510	0.5
98.97588	0.5
103.05460	1.8
105.07023	0.5
106.04156	1.6
107.04964	2.6
107.08611	0.5
110.03637	0.5
115.05463	3.4
117.07026	5.2
119.08572	0.4
121.02850	1.0
123.04430	8.2
124.05228	2.4
127.03927	0.6
127.05430	0.9
130.04109	0.6
131.04916	0.8
133.06433	0.4
134.03670	0.5
137.05986	0.5
138.03178	0.6
142.02623	0.7
144.05693	0.6
145.06491	7.8
147.04353	0.4
147.08084	0.4
151.03886	1.3
152.04666	1.7
153.05389	0.5
155.06036	3.5
163.03867	0.4
167.07039	100.0
168.07352	1.4
171.06567	0.5
173.05983	15.7
175.03830	0.5
175.07545	0.7
177.05576	0.6
181.04962	24.3
184.58717	0.4
191.07025	1.6
194.98393	0.4
201.05475	0.7
202.06187	0.4
205.08578	2.7
217.08569	1.7
221.05785	0.4
233.08069	7.9
235.09668	4.4
240.66507	0.4
241.08438	0.5
245.08202	0.5
265.42288	0.4
271.06195	0.5
283.05963	2.4
284.06653	0.6
292.07144	0.4
295.06232	0.6
295.09552	0.6
307.09772	0.6
309.07678	1.0
313.07153	2.7
321.07837	0.6
335.08932	0.7
337.07233	1.4
363.08759	1.2
367.12103	0.5
381.09619	3.6
387.14386	13.1
399.14389	1.0
417.15479	27.3
418.15790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03950	8.6
55.05507	25.5
57.07087	7.8
67.05518	48.9
69.07066	28.2
69.81743	15.2
69.82140	22.4
71.04985	8.9
72.78516	7.5
79.05491	41.6
81.07052	67.0
83.08601	14.5
91.05494	56.1
93.07052	81.8
95.04967	19.6
95.08625	64.6
97.06532	10.3
98.98465	7.9
103.05485	13.5
105.07035	84.0
107.08608	73.1
109.06532	83.5
109.10172	53.4
111.08051	11.7
115.44182	6.9
117.07040	26.4
119.08589	93.3
121.06525	8.7
121.10173	95.9
123.08082	21.4
123.11712	29.8
128.06296	8.7
129.07027	13.3
131.08582	53.9
133.06454	15.7
133.10139	77.1
135.08116	16.4
135.11719	52.6
137.09555	10.8
142.07788	17.2
143.08565	38.3
145.10170	53.0
147.08023	14.9
147.11694	27.4
149.09550	15.8
149.13315	10.8
151.56636	7.9
155.08571	14.2
156.09358	21.9
157.10147	57.2
159.08122	14.5
159.11716	36.4
161.09656	18.4
161.13318	13.8
163.22845	7.8
165.07018	15.9
167.07106	9.7
167.08525	13.6
168.09395	13.4
169.10121	32.3
170.10947	9.8
171.08115	8.3
171.11688	38.2
173.13264	20.9
175.11128	16.4
179.08670	14.1
180.09256	8.8
181.10094	22.7
183.11700	40.2
185.13260	23.0
187.14828	24.2
193.10107	14.3
194.10826	10.9
195.11687	31.3
197.13216	11.3
199.11253	8.7
199.14848	18.6
201.12952	10.1
201.16426	13.3
205.10107	8.7
207.11693	18.4
209.13278	21.2
211.11264	12.4
211.14886	18.5
213.16248	10.7
219.11705	8.3
220.12521	15.9
221.13301	16.4
223.14798	12.0
223.50977	8.9
235.14786	17.0
236.12053	9.5
237.16353	9.7
239.14317	12.7
239.17923	12.2
251.14421	13.1
277.15927	8.8
281.19165	12.8
357.26004	10.9
359.23590	22.9
375.26929	15.1
389.28433	8.8
399.26813	30.3
417.27530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.4
51.02355	1.8
53.03938	6.2
55.01871	1.7
55.05500	5.1
56.96556	2.1
61.02926	1.3
65.03932	3.6
67.05501	5.2
67.22464	1.2
69.03420	5.6
69.07066	6.7
70.04424	1.4
71.04984	2.1
71.61011	1.6
73.02936	1.5
79.05061	1.8
79.05502	24.1
79.24454	1.2
81.03419	6.4
81.07053	9.0
83.08595	2.1
85.02921	14.3
87.00830	4.7
91.05492	33.5
93.07053	94.4
94.07354	1.6
95.04982	7.2
95.08626	3.3
97.02898	5.1
97.06541	1.6
98.97567	1.7
99.04455	3.3
105.01864	3.7
105.04553	1.9
105.07047	12.3
107.04949	2.9
107.08604	100.0
108.04532	1.9
108.08923	2.2
109.02872	4.7
109.06512	5.0
109.10158	2.2
115.05413	1.5
117.07033	2.1
119.08591	3.0
121.06493	1.8
121.10160	1.3
123.04401	1.4
127.03955	7.3
135.11711	43.8
145.04976	4.2
145.06471	2.1
147.11639	1.4
157.35620	1.3
159.02908	3.1
161.90134	1.5
166.04948	2.0
167.07056	23.9
168.07413	14.2
171.03177	1.3
171.11610	1.5
173.06001	1.5
173.58180	1.5
174.06360	3.7
181.05020	11.0
182.05333	5.4
192.07390	2.5
193.08690	2.3
209.08163	1.4
213.09865	1.4
225.85263	1.3
231.04988	2.9
254.79105	1.4
256.11462	1.8
283.10843	3.1
284.08295	1.5
284.11072	9.2
301.11890	2.0
302.12164	5.8
319.12637	1.9
320.13260	7.8
330.11633	2.1
344.25833	5.2
383.07593	2.0
388.14700	4.2
400.19495	5.6
418.15863	11.1
418.20901	2.8
418.29648	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	7.7
57.75193	1.6
69.03414	3.8
70.06581	6.7
71.59161	2.6
72.08163	3.5
73.02930	2.1
74.88003	1.7
77.82754	1.6
84.04508	3.8
84.08144	3.9
85.02891	6.7
86.09698	6.4
97.02841	2.7
98.06062	4.5
98.97581	17.9
103.05467	6.7
107.04965	3.8
110.07140	5.3
110.97580	1.9
112.99089	3.8
114.21555	1.7
116.98649	10.3
120.08113	100.0
123.04449	2.0
124.07596	4.8
128.98599	4.9
130.05048	2.5
131.04926	2.7
135.04439	3.0
138.05452	1.9
140.07077	7.8
146.99628	2.9
149.05974	2.6
150.05666	1.8
152.07083	3.5
158.99651	7.3
163.03922	9.5
166.08650	44.8
167.07039	3.6
170.99756	1.8
177.00717	7.7
177.05626	2.6
189.00792	2.0
201.00655	1.9
214.03915	4.4
219.01698	9.8
237.02882	13.2
238.01663	3.8
238.03830	2.5
256.04932	5.7
279.03784	5.1
298.06113	3.4
332.06573	3.8
340.02475	1.6
419.15475	4.3
435.73663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.07080	4.1
58.06614	1.8
67.05500	0.6
67.66212	0.3
68.05011	0.5
69.07066	0.3
69.42504	0.3
70.06597	19.1
71.08629	2.3
71.60042	0.4
72.08157	2.1
79.05505	0.5
81.07050	0.5
84.08161	2.2
85.10171	0.6
86.06038	0.3
86.09727	3.7
88.07635	4.7
89.06046	0.5
89.40400	0.3
91.05488	0.7
93.07047	0.7
95.08607	0.7
102.09192	1.7
105.07029	0.5
114.09215	0.7
119.08577	0.6
126.18710	0.3
132.10216	8.8
133.10132	0.7
145.10158	0.4
146.11775	8.9
260.68384	0.3
268.30109	2.2
281.99146	0.3
294.31653	1.8
312.32642	6.9
327.23428	0.4
356.35251	38.3
357.35522	1.2
400.37988	0.4
418.38937	100.0
419.27563	0.6
419.39240	3.8
438.80890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0972
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
52.39262	0.7
53.74456	0.5
55.01879	4.8
65.03895	0.7
65.10793	0.6
65.37068	0.7
65.52949	0.5
68.99792	3.1
69.03409	1.2
70.71251	1.3
79.05466	1.8
80.79511	0.7
81.03397	1.2
85.02872	1.7
91.05497	1.1
93.03378	0.9
95.04959	0.6
95.08598	0.8
97.02868	1.5
103.21768	0.6
107.04916	1.9
109.02853	1.4
113.09601	0.6
121.02879	4.0
121.06480	0.7
123.00835	0.7
127.03898	0.7
127.37985	0.6
131.04932	1.5
135.04419	5.3
137.01334	1.2
137.02341	15.3
137.03395	1.5
141.01788	2.1
147.04431	3.0
149.02348	1.1
149.05919	1.1
153.12689	1.6
161.02339	5.8
163.03912	6.2
165.01839	19.0
167.03442	3.1
167.07054	1.7
169.02881	0.8
175.03906	2.4
177.01820	1.8
177.05426	0.7
179.03403	5.5
181.04924	2.7
183.02847	4.0
183.06516	0.8
187.03853	1.0
187.07544	0.6
189.01790	0.9
191.03363	2.7
191.06992	0.8
193.04987	1.4
195.02866	1.4
203.03400	7.7
207.02898	1.0
221.04485	1.1
229.04955	1.5
231.02843	1.9
245.04463	2.2
249.11337	0.9
255.06525	1.7
271.05988	1.1
272.06830	1.4
283.06061	6.5
286.04749	3.1
287.05447	7.2
289.03467	1.1
295.06039	4.5
297.07547	12.3
299.05508	91.3
300.06235	9.3
300.09341	0.9
309.07639	5.1
310.04892	1.1
311.05475	13.7
312.05789	0.8
313.07062	14.5
319.06006	1.1
321.07605	1.7
323.05496	5.2
325.03632	1.2
325.07037	36.0
327.08588	4.3
329.06564	48.5
330.06866	1.0
337.07043	45.8
338.07495	1.2
341.06622	8.7
343.11899	0.6
347.05173	1.1
353.06558	66.6
354.06927	1.3
355.08231	4.0
365.06567	34.8
366.06915	0.7
383.07623	100.0
384.08069	2.3
401.08682	16.2
401.16080	1.0
419.09756	16.4
419.18130	0.8
420.10446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
50.71789	0.5
52.99751	0.7
55.01860	1.1
56.71921	0.6
68.99805	1.0
69.78371	3.4
69.78781	1.3
70.42971	0.6
73.17287	0.6
79.01855	3.3
81.03413	1.2
93.03382	0.6
98.20826	1.3
109.02903	0.7
121.02852	1.0
135.04428	1.4
137.02339	15.9
138.03148	0.8
148.34016	0.6
161.02341	1.7
163.03900	0.7
165.01869	1.7
179.03415	2.0
191.03464	1.4
203.03366	1.8
205.04945	3.4
217.04970	0.9
227.07109	1.1
229.04951	4.8
231.02956	3.4
236.69868	0.7
243.06665	2.0
244.07330	1.0
247.06084	1.8
249.03909	2.2
254.05647	1.1
257.04355	0.6
259.06152	1.3
271.05984	5.5
272.06818	7.8
283.06161	1.0
287.05579	2.0
295.06046	2.4
296.06854	0.8
299.05499	48.2
300.06274	33.3
301.06998	2.1
311.05499	14.3
312.06415	0.7
313.07062	27.9
321.07629	2.1
323.05463	1.8
324.06296	2.4
325.07040	7.0
327.04950	1.7
327.08505	7.3
329.06555	58.4
330.06879	1.4
337.07092	5.9
339.04697	1.0
341.06519	7.3
343.08218	1.0
353.06564	26.1
354.06857	1.5
355.08191	6.8
359.07642	10.2
365.06525	5.9
383.07623	67.5
384.07947	1.4
401.08682	40.4
419.09738	100.0
420.10068	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	419.0975
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
54.34855	1.0
55.01873	3.4
65.03954	1.7
67.05470	1.7
68.99785	1.8
69.03435	2.6
69.95460	1.1
70.95135	2.5
79.01867	5.5
79.05482	1.8
81.03413	3.6
81.07093	1.8
85.02892	3.4
91.05505	2.5
93.07038	1.6
97.06520	1.1
103.05523	1.5
105.07017	1.4
107.04985	1.6
111.04452	1.2
119.04935	2.0
121.02877	2.1
123.04446	2.3
133.06435	1.4
135.04424	4.6
136.05232	1.3
137.02357	22.8
143.02058	1.1
145.02826	1.3
147.04439	2.7
149.02481	1.2
149.05927	1.1
161.02388	3.4
161.05997	1.3
163.03876	2.5
165.01898	1.7
165.19951	1.2
167.07031	6.7
168.07439	2.5
177.05501	3.9
179.03424	2.9
181.04950	6.9
181.06258	1.2
182.87848	1.1
183.05365	1.7
189.01767	1.9
191.03398	1.6
191.06949	1.3
199.44284	1.3
203.03430	3.2
205.04941	5.5
207.03104	1.1
209.08206	1.6
229.04919	5.5
231.02972	4.8
234.30859	1.3
243.06598	1.5
244.07515	1.5
247.06053	2.8
249.03940	3.6
249.11374	1.6
255.06326	1.2
259.06003	1.9
263.75909	1.3
271.06125	7.4
272.06775	9.0
275.05362	1.5
287.05478	1.9
295.06009	1.3
299.05539	60.2
300.06293	41.5
301.06955	3.2
311.05484	17.0
313.07065	37.0
314.04312	1.7
321.07681	2.5
323.05460	2.2
324.06296	1.9
325.07129	9.5
327.05200	1.9
327.08627	8.0
329.06586	81.5
330.06906	2.1
334.35159	1.2
337.07080	7.4
341.06570	10.3
353.06573	38.6
355.08170	10.5
359.07657	15.9
365.06580	9.4
371.07666	1.6
383.07635	98.0
384.07950	2.5
401.08716	61.2
402.09256	1.4
419.09760	100.0
420.10181	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0976
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01864	2.5
55.05503	1.0
56.96572	0.6
57.41040	0.5
65.03934	1.6
66.73449	0.6
67.05503	2.0
69.03442	1.0
69.07054	1.1
69.52875	4.0
70.00266	0.5
70.06597	0.6
71.04980	0.6
79.05489	2.0
80.47226	0.5
81.03406	1.2
81.07066	1.6
82.61478	0.5
83.08649	0.7
84.04506	0.5
84.08150	0.6
85.02909	1.8
88.08566	0.5
91.05476	2.0
93.07047	1.2
95.04975	1.8
95.08607	1.6
97.06542	1.4
98.20773	1.3
99.87216	0.5
103.05473	1.2
105.07021	2.2
107.04961	1.9
107.08568	1.0
109.02848	1.0
111.04467	1.0
115.05465	0.6
117.07018	1.2
119.08628	1.1
121.06507	1.4
123.04436	1.7
125.05997	1.0
128.06265	0.9
129.07036	1.4
131.04924	1.4
131.08600	1.7
132.05695	0.9
132.61031	0.6
133.06488	0.9
133.10086	1.0
135.11765	0.6
137.02286	0.6
137.05963	0.7
145.06459	0.8
145.10103	0.9
147.04466	0.8
149.05980	1.3
151.03836	0.9
153.01855	3.6
156.05704	0.7
156.08073	2.5
159.08028	1.6
161.06007	1.2
163.07587	1.1
165.09142	1.3
165.63304	0.6
167.07051	9.4
168.07370	0.6
171.06570	0.6
173.05945	0.8
177.05502	3.1
181.04955	9.9
183.06607	2.6
187.07573	1.5
191.06985	2.6
193.08679	1.0
203.03510	0.7
205.08665	0.8
206.46437	0.6
209.08073	4.6
213.05530	0.9
217.08563	0.7
219.08177	0.9
219.10188	1.2
221.07925	0.6
226.06229	0.8
229.04984	1.9
230.05807	0.8
241.04976	1.1
242.05780	2.0
243.06624	0.8
247.09735	0.9
249.11230	4.4
253.04916	3.8
254.05879	0.8
255.06534	70.7
256.07294	20.1
257.04489	0.8
258.05176	2.8
269.04431	1.0
270.05243	3.4
271.06003	1.6
283.06030	7.1
284.06787	24.0
285.04065	0.8
286.04797	2.8
287.05521	9.1
290.21088	1.3
291.60089	0.6
299.05511	56.7
300.06198	1.4
301.03452	4.6
301.06793	1.0
302.04123	0.6
307.09711	1.4
311.05502	11.9
312.06265	10.6
312.09528	0.9
313.03497	0.9
313.06799	0.9
314.04343	0.7
315.04999	19.1
316.05777	2.2
327.08496	0.8
329.06555	24.5
330.07364	16.9
330.10812	0.6
331.08118	24.7
337.07230	0.7
353.06659	1.6
369.13419	1.1
383.07614	2.6
401.15857	1.8
419.09753	100.0
420.09946	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	419.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45044	0.6
53.03927	0.9
55.01871	4.5
57.03400	0.8
61.02917	0.9
65.03913	1.2
67.05489	1.1
68.99775	2.6
69.03398	2.7
69.07048	1.4
70.06589	3.6
71.04948	0.8
71.61160	0.9
72.08134	1.5
74.06061	1.1
79.05463	2.6
79.85492	0.6
81.03423	1.5
81.07027	1.4
84.04483	0.8
84.08121	1.2
84.43692	0.8
85.02868	2.6
86.09685	1.9
91.05508	4.4
93.03381	2.4
93.07030	1.7
95.04931	2.2
95.08561	1.0
97.02859	2.3
97.06495	1.0
103.05451	1.3
105.06982	1.1
106.04139	2.3
107.04924	2.9
109.02852	2.3
111.04454	1.2
111.26131	0.7
115.05495	0.9
116.07066	1.2
119.04942	0.7
120.08058	2.3
121.02868	4.2
121.06536	3.6
121.60250	0.6
122.23805	0.7
125.05968	1.0
127.03898	1.5
131.04930	0.8
135.04405	4.8
137.02351	12.8
137.03384	1.4
137.05966	1.5
139.03960	0.8
139.07555	0.7
141.01802	2.5
145.02840	1.1
145.06483	0.8
147.04382	2.5
149.02312	3.1
149.05966	3.8
151.03821	1.2
152.08290	0.7
153.05472	0.8
153.09061	1.2
159.04358	1.4
159.08035	1.3
161.02376	6.7
163.03914	3.8
165.01848	18.3
165.05533	1.1
165.06883	1.1
167.03470	3.8
167.07098	4.9
167.08322	1.0
173.02342	0.8
173.05893	1.0
175.03902	2.7
177.01839	1.4
177.05450	2.9
179.03351	4.9
181.05063	4.2
181.08545	2.4
183.02922	5.4
187.03940	1.4
187.07605	1.5
189.01833	0.9
190.07706	0.8
191.03363	2.1
191.07080	0.7
193.05019	1.1
195.02849	1.5
203.03415	5.9
205.08446	0.9
207.02831	1.2
207.08020	1.2
209.08078	3.7
211.07686	0.8
217.08563	2.3
218.09142	0.8
219.08099	1.7
219.10089	2.1
231.02943	1.4
231.10075	1.2
233.05899	1.2
233.09677	0.7
234.06664	0.8
235.07646	1.3
236.08290	1.0
237.09247	0.8
243.06543	1.0
245.04402	2.0
247.02383	1.1
247.07492	1.3
247.09784	1.0
249.04073	1.0
249.09114	0.9
255.06534	3.0
256.07388	0.9
256.90701	0.7
263.06967	1.6
267.10370	0.8
271.06158	1.2
272.06839	1.0
275.13654	0.7
277.08560	1.6
279.10233	1.4
281.07977	1.1
283.06018	8.0
284.06689	1.6
286.04742	2.0
287.05481	9.9
289.03342	0.8
291.06873	0.8
291.10223	1.1
293.07874	0.8
295.06128	4.1
295.09183	1.0
296.10394	1.0
297.07559	8.1
299.05511	92.3
300.06210	9.9
307.09744	1.7
309.07697	5.0
311.05493	14.5
311.12946	1.3
313.07040	14.9
321.07654	2.2
323.05481	4.0
323.08902	1.6
325.04077	0.8
325.07077	22.9
325.10947	1.2
327.08606	4.6
329.06573	58.1
330.07123	1.5
330.10886	1.4
337.07065	40.8
338.11493	1.2
339.05035	0.8
339.12463	1.2
341.06598	7.3
351.12326	1.3
353.06561	44.6
355.08231	2.6
359.14874	2.3
365.06577	34.0
366.06903	0.9
369.13321	4.3
383.07623	100.0
383.15387	3.0
384.07852	1.7
387.14319	6.7
391.17551	4.4
401.08688	15.4
401.16046	3.2
419.09665	9.0
419.16812	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	419.0974
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
50.13863	1.0
55.01872	4.9
55.05504	1.5
65.03953	1.0
67.05499	1.9
68.99795	2.5
69.03430	2.4
70.06590	1.7
70.64247	2.9
72.08198	1.1
79.05484	3.3
81.03442	1.2
85.02888	2.1
91.05504	2.5
93.03416	1.3
95.04952	2.1
97.02879	2.3
107.04951	2.8
109.02879	2.1
109.06444	1.1
119.04964	1.5
121.02880	3.6
121.18233	1.0
123.00787	1.1
123.04460	1.5
127.03886	1.3
127.25369	1.1
135.04414	5.1
137.01343	1.4
137.02345	14.5
141.01813	2.6
147.04375	1.1
147.77834	0.9
149.02332	2.8
149.05995	2.1
153.12788	1.6
161.02322	7.9
163.03917	4.3
165.01843	19.0
165.05566	1.4
167.03395	3.8
167.07051	3.3
173.02335	1.4
175.03891	2.4
176.75215	1.0
177.01872	1.4
177.05469	1.9
179.03374	6.6
181.04927	3.8
181.06378	1.2
183.02908	4.6
183.06476	1.2
187.03856	1.6
187.07497	1.2
189.01869	1.5
191.03397	1.7
195.02956	1.7
203.03343	5.6
209.07962	1.7
217.08604	1.2
219.08047	1.3
236.23010	1.2
244.18663	1.0
245.04272	2.3
249.03986	1.2
249.11259	1.7
250.74844	1.1
251.07076	1.2
255.06540	1.3
274.22598	1.1
279.06335	1.2
283.05951	7.1
286.04703	3.6
287.05560	6.9
295.06046	4.2
297.07617	8.4
299.05505	94.0
300.06128	10.2
309.07593	5.5
311.05490	12.6
313.03464	1.8
313.07016	14.0
321.07504	1.9
323.05536	4.4
325.03461	2.2
325.07098	24.2
325.10876	1.2
327.08722	4.4
329.06543	53.6
337.07059	46.2
337.11127	2.4
341.06635	5.4
341.14084	1.5
353.06564	45.9
355.07980	2.5
365.06586	34.2
365.10001	0.7
366.06644	1.5
367.62790	1.1
369.13239	1.6
383.07620	100.0
384.08020	2.1
387.14441	2.0
391.17667	1.6
401.08762	15.4
401.16418	1.9
419.09750	6.7
419.26648	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91569	2.3
53.03953	12.3
55.01873	13.3
55.05506	2.5
57.03436	4.6
61.02929	6.5
65.03944	17.9
66.44707	2.4
68.99780	6.9
69.03438	22.0
69.29446	21.7
70.06580	7.7
71.04994	4.6
72.08129	3.7
73.02913	6.3
73.76472	2.0
79.05505	2.8
80.05835	2.4
81.03426	27.3
83.04961	8.2
85.02911	62.5
86.08039	2.0
86.09695	4.7
87.00828	23.6
93.03405	6.3
95.04996	3.1
97.02911	23.7
98.20785	5.1
98.97563	4.0
99.04441	10.4
100.85518	2.2
103.03909	3.4
105.01854	17.1
107.04957	52.8
109.02895	20.5
111.04444	39.1
117.01865	4.3
121.02878	6.0
121.03977	5.3
123.04434	2.6
125.06027	2.9
126.26165	2.3
127.03931	37.7
129.01778	4.2
135.04427	9.2
139.03908	100.0
140.04208	2.9
145.04956	18.4
147.02867	6.1
153.05466	4.4
159.02892	17.3
163.03905	32.4
167.07062	2.9
170.05777	2.5
171.06535	91.3
172.06889	3.7
173.05994	2.8
177.05519	8.3
181.04930	11.4
189.03934	3.4
195.06554	22.9
207.06554	4.7
209.08115	16.7
213.07587	15.0
222.05128	2.7
227.09131	6.0
231.04991	6.7
233.08115	3.6
237.07516	11.5
261.07550	8.7
279.08603	16.8
284.13202	2.2
419.14661	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1702
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01874	37.4
61.72610	4.8
67.05499	17.1
69.03432	11.8
69.81613	30.9
72.45770	4.8
77.03938	4.9
79.05482	20.0
81.03402	17.0
81.07045	8.8
85.02914	12.3
91.05461	14.3
93.07015	5.7
95.04967	10.9
95.08620	7.5
97.02904	8.2
97.06563	7.9
98.21369	10.1
100.84085	4.6
103.05472	10.0
105.07014	12.8
107.04951	15.4
107.08643	5.4
109.04144	6.1
110.03688	6.2
115.05379	7.0
117.07014	7.8
120.04459	6.8
121.06512	8.3
123.04415	12.9
127.03912	8.7
128.06207	5.6
129.06999	8.6
131.04910	9.2
132.83351	4.9
133.06425	6.8
133.31934	5.0
135.04414	7.5
137.02321	18.1
144.05760	8.4
145.06496	12.3
148.05191	8.8
149.05962	12.4
156.05739	8.3
159.08031	12.4
161.05940	11.2
163.03879	5.3
163.07530	12.9
165.01910	10.0
167.07045	87.1
171.08063	6.9
173.05969	11.0
177.05466	28.4
178.05870	4.9
181.04948	79.9
183.06552	16.0
186.06647	5.5
187.07564	16.3
191.07033	47.8
197.47144	5.8
204.07840	6.7
205.04855	6.8
205.08591	15.7
207.06429	8.5
208.05251	8.0
209.08078	47.6
217.08659	13.3
219.08148	11.7
219.10248	15.2
231.10120	6.9
235.09660	8.2
247.07509	8.6
247.09711	8.6
249.11230	41.5
269.08151	11.5
272.06836	7.1
281.08203	4.9
281.11597	8.3
287.05380	5.8
297.07611	5.6
299.05569	77.4
300.06259	27.9
311.05450	17.5
313.07108	22.5
315.08591	50.6
325.07047	19.0
329.06561	73.2
330.10925	53.0
337.07010	22.3
351.12186	6.6
353.06573	45.1
359.07721	6.4
365.06552	16.1
369.13278	10.1
375.45050	5.6
383.07645	100.0
383.15036	9.1
401.08630	34.2
401.16037	25.6
419.09763	82.9
419.18762	33.3
420.09760	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	419.3158
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
53.65093	3.1
55.05505	11.2
56.96551	4.0
57.07060	3.5
67.05499	15.7
69.07053	15.4
69.24762	11.1
69.25172	22.8
77.14410	3.5
79.05486	14.2
81.03423	5.1
81.07059	36.3
83.04985	4.7
91.05484	16.2
93.07046	30.6
95.04928	4.5
95.08041	5.1
95.08607	47.3
95.97886	3.0
97.06536	4.9
97.10165	6.1
105.07021	29.5
107.08607	49.7
109.06472	5.1
109.10143	31.3
111.08129	3.8
111.76266	3.4
117.06976	6.9
119.08575	60.0
121.10146	48.1
123.08080	4.8
123.11708	15.5
131.08530	10.9
133.10136	50.4
135.11711	32.6
137.09496	4.5
143.08562	6.1
145.10133	34.5
147.10616	4.6
147.11700	48.0
147.44202	3.5
149.13229	12.7
153.05463	8.1
157.10127	7.7
159.11679	44.2
161.13260	22.3
163.14812	14.5
171.11856	3.7
173.13268	14.5
175.14798	10.5
176.12088	3.3
177.16376	10.2
185.13301	4.8
187.14813	27.4
189.14743	6.5
189.16383	100.0
191.17989	10.5
193.12263	16.4
201.16389	36.3
203.17883	7.8
204.39211	3.5
205.79419	3.5
207.13881	6.5
207.17387	16.5
213.16309	6.1
215.17940	11.7
250.04326	3.5
275.20224	4.0
296.90448	3.8
383.29428	97.8
401.30435	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	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59897	0.3
55.01857	1.1
57.07062	0.6
71.08636	0.6
79.25928	0.3
80.67487	0.3
81.10634	0.4
85.58969	0.3
98.21585	0.6
99.00822	0.8
99.04459	3.2
111.04460	3.0
125.05997	10.7
125.06961	0.5
141.05472	4.4
153.05472	100.0
154.05762	0.7
167.06984	0.5
217.66376	0.4
229.08945	0.4
406.60623	0.3
419.35217	33.1
420.35483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05510	0.4
59.51081	0.3
70.78175	1.1
71.08615	0.6
83.04990	0.6
99.00826	0.9
99.04460	3.8
111.04459	2.9
121.87745	0.4
125.05998	10.7
141.05487	4.9
153.05472	100.0
154.05800	0.9
158.28510	0.4
167.07103	0.5
261.50995	0.4
351.11044	0.4
358.11197	0.4
419.35236	30.2
420.35474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79270	0.7
56.91264	0.6
57.03431	0.9
58.06591	2.4
59.07364	1.5
61.02907	1.7
69.03421	2.6
70.06597	1.2
71.60120	1.2
74.09720	1.4
74.58817	0.8
81.03431	0.9
85.02909	4.7
90.41529	0.7
94.93005	5.4
97.02871	2.4
98.97579	2.8
109.02876	1.2
110.97595	0.9
112.05055	1.7
116.98624	1.3
117.53658	0.8
118.08659	37.7
127.03966	1.6
128.98547	0.9
136.94031	22.1
137.94380	5.2
138.93832	4.8
140.06828	2.9
143.01920	0.7
144.19884	0.7
145.04965	1.2
148.94034	7.8
149.94373	2.1
150.93878	1.6
156.04219	5.0
166.95097	10.7
167.95459	3.3
168.55170	4.0
168.94905	3.3
173.02950	1.1
174.04404	1.7
176.07664	3.4
177.55762	0.9
189.00772	1.0
189.06584	0.9
196.96172	4.3
197.96498	1.3
198.95897	1.5
200.07675	1.2
201.00708	2.2
213.00674	0.7
216.05530	3.7
219.01813	2.3
234.06462	1.2
237.02829	1.4
245.05087	1.5
249.57915	6.2
256.98300	1.1
257.98578	1.6
261.02859	3.2
279.03799	1.9
303.07571	0.8
321.05093	1.0
321.08606	1.3
399.07977	1.3
420.03653	3.1
420.12631	100.0
421.13480	2.2
437.09372	0.9
441.09229	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	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77437	0.4
52.59164	0.5
53.03943	0.6
54.32869	0.4
56.87564	0.4
56.96579	0.5
57.03425	2.1
59.86890	0.4
60.08160	0.4
61.02925	0.7
69.03426	1.5
70.06593	0.8
70.86650	1.1
72.08122	0.6
73.02917	1.2
75.04477	0.8
79.05474	0.7
81.03405	1.4
82.89484	0.4
84.04488	0.5
84.08123	0.9
85.02907	3.2
86.06077	0.5
86.09702	0.5
87.00833	0.9
89.03918	0.8
95.01321	2.0
95.04976	0.6
97.02869	0.9
98.97589	1.1
99.00803	0.7
99.04451	0.6
101.44259	0.5
107.04955	100.0
108.05313	1.3
109.02840	0.8
111.04468	0.5
112.04770	0.7
113.02397	1.0
117.03412	0.8
123.04392	0.8
124.07619	0.6
126.09150	0.8
127.03910	1.4
135.04430	0.9
137.05960	1.3
139.03922	1.5
140.04202	1.1
141.01837	4.1
145.02780	0.6
145.04916	0.7
153.05490	5.4
155.07051	1.1
159.02940	0.9
163.03952	3.3
164.04279	0.8
171.06474	1.1
172.06898	0.7
173.08154	0.5
184.83400	0.4
187.52455	0.5
196.06929	0.6
197.94547	0.4
209.08095	35.4
210.08490	0.7
219.01898	0.5
227.09142	13.4
237.02939	0.6
258.13422	0.8
367.10840	0.5
376.10107	0.4
385.11240	0.9
420.09515	0.7
421.16531	1.2
424.80304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03181	1.2
57.03442	17.4
60.52206	0.7
61.02927	6.0
62.92657	0.7
65.03947	1.1
69.03429	16.4
69.63258	2.8
69.63693	2.7
71.01363	1.4
73.02922	40.6
74.80621	0.9
75.91570	0.7
77.17545	0.7
77.46629	0.7
81.03408	2.7
85.02908	28.3
87.04473	1.9
91.05485	100.0
97.02899	41.7
98.21500	0.9
99.04487	1.5
103.03940	1.5
105.07037	1.2
109.02884	2.6
115.03938	24.7
117.07027	1.4
121.71548	0.7
127.03919	9.9
129.07051	2.1
132.06618	1.8
133.04988	5.9
133.06522	2.1
143.03404	1.0
145.04961	11.8
145.06551	1.6
150.07649	2.9
157.06543	0.9
161.04486	2.0
163.06038	4.1
171.08067	1.9
175.07564	0.9
179.40836	0.7
199.07516	1.0
205.08725	1.7
217.08707	3.8
223.06033	2.5
235.09642	1.9
241.07205	2.8
253.10805	2.7
259.08160	2.5
295.10275	1.6
361.96622	0.7
381.88593	0.8
395.00461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
67.05508	5.8
67.46110	1.6
69.03429	2.9
69.07047	4.8
69.70467	11.1
72.02955	1.8
79.05488	6.4
81.03417	4.4
81.07065	100.0
85.02907	5.9
87.00815	4.5
91.05487	3.1
95.08625	16.2
97.02882	5.8
98.33905	1.7
105.01859	6.8
109.02882	3.8
127.03921	7.1
137.13275	18.0
145.04976	5.0
159.02914	2.5
164.08748	1.7
167.07114	1.9
172.15697	1.6
183.70203	1.5
189.20818	1.5
231.05058	3.4
231.51282	1.6
332.11386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05507	4.6
56.96557	11.6
59.21375	2.8
60.57537	2.8
67.05502	5.4
69.03426	3.3
69.07074	6.6
70.06586	7.0
71.59752	3.4
72.08147	12.9
79.05494	4.7
81.03437	5.7
81.07049	8.7
84.08124	4.6
84.96037	4.2
85.02930	5.4
86.09698	5.1
91.05458	14.5
93.07072	3.5
95.04971	3.1
98.97592	43.4
107.04959	4.1
109.02881	3.5
110.97582	13.5
116.98621	14.8
119.08578	3.5
120.08115	9.7
123.04451	4.6
125.05982	3.5
128.98601	11.9
129.10316	3.6
137.05980	6.9
146.06053	4.2
146.99637	3.9
152.98582	4.9
153.05489	6.0
158.99667	6.7
161.01137	3.7
167.07076	4.2
170.99667	6.7
171.07817	3.3
172.08752	5.8
177.00731	5.5
177.05460	6.5
181.05089	5.1
182.53432	3.0
187.07458	8.6
195.06471	4.0
199.07419	11.4
200.08105	3.5
216.07768	4.3
216.10094	4.3
219.01796	8.7
219.06473	3.9
237.02879	18.0
243.08795	54.6
244.09586	100.0
257.10208	3.9
278.33209	2.9
280.11713	5.7
289.09607	11.4
307.10657	51.8
375.23758	7.0
378.15347	43.6
379.16238	44.6
393.24750	5.4
421.14462	52.5
421.23105	17.5
421.28931	4.0
439.14587	4.5
439.78577	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	421.2564
Annotation	Arg Val Phe
Peak:m/z	Relative Intensity
52.54551	0.7
55.01865	0.9
55.05508	2.0
55.99673	0.8
56.96557	2.0
57.07050	0.9
67.05496	3.5
68.08366	0.9
69.07047	1.4
70.48120	0.8
70.97380	0.8
71.04963	1.2
79.05490	2.5
81.07058	3.9
83.08655	1.1
91.05482	2.8
93.07042	3.0
95.05016	1.9
95.08607	3.5
97.06503	0.8
99.04445	1.2
105.07024	4.3
107.08610	3.6
108.49919	1.0
109.10146	2.7
117.07058	0.8
119.08606	2.7
121.06538	1.1
121.10107	1.9
131.08533	1.5
133.10144	1.9
134.41225	0.9
135.08115	0.9
145.10153	1.7
147.04436	1.5
147.11748	1.5
157.10155	1.4
171.11812	1.1
183.11653	1.2
184.07393	1.0
185.13274	1.3
197.44504	0.8
337.16147	1.4
357.24088	1.0
403.24533	1.5
421.25626	100.0
422.26163	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	421.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.5
55.01867	14.1
55.05516	38.4
56.96554	16.5
57.03427	18.1
59.04973	4.6
61.02919	13.0
65.33367	3.5
67.05511	100.0
69.03435	22.0
69.07072	25.9
70.57210	4.2
71.04987	7.5
71.60851	5.7
73.02908	12.8
79.05494	64.4
81.03424	43.1
81.06631	5.4
81.07059	64.6
83.04971	6.9
83.08624	27.5
85.02919	23.9
85.06544	5.2
91.03949	13.3
91.04950	5.9
91.05487	78.1
93.07054	52.9
95.04977	84.1
95.08601	49.1
97.02887	18.7
97.06522	13.7
97.10176	16.5
98.97579	16.1
99.04419	4.7
103.05482	4.5
105.03341	5.0
105.07043	52.9
107.04951	41.4
107.08595	31.7
109.02867	8.5
109.06528	15.2
109.10172	49.4
110.97578	7.2
111.08103	7.0
114.69305	4.3
115.05440	5.4
116.98640	4.5
117.07015	28.7
119.04960	5.6
119.08593	41.3
119.24029	3.9
121.06519	26.8
121.10132	25.2
123.08054	12.1
123.11696	9.9
125.06004	5.1
125.09631	15.7
127.03889	4.6
129.06996	29.3
131.08572	33.5
133.06496	11.0
133.10120	21.6
135.08055	13.8
135.11723	10.1
137.05978	7.6
137.09680	10.4
141.06941	8.1
143.08549	21.2
145.06522	8.8
145.10167	27.5
147.08031	15.4
147.11684	11.6
149.09625	10.4
149.13306	3.9
155.08560	6.3
156.09282	4.6
157.10147	27.1
158.99701	8.2
159.08041	6.4
159.11684	18.7
161.09583	10.8
161.13310	4.9
163.11172	11.4
165.09132	3.8
167.07072	5.6
167.08557	7.3
169.10165	10.9
171.11725	12.3
173.09593	5.8
173.11771	10.0
173.13193	9.1
175.11220	15.8
175.14729	5.5
176.14308	5.0
177.00728	4.8
177.12779	9.1
183.11627	7.5
184.89999	4.4
185.09584	8.7
185.13257	11.1
187.11111	4.1
187.14836	6.3
189.09105	9.3
189.11206	8.6
189.12778	7.6
193.12251	18.8
199.11183	5.9
199.14911	6.0
201.12823	6.2
203.10667	11.9
205.12251	5.9
213.12784	7.7
231.13869	6.6
249.14807	9.0
272.26486	3.9
276.91504	4.0
301.21713	6.6
305.17438	5.0
311.20239	18.9
329.17416	7.1
329.21152	94.5
331.14893	9.2
340.15396	32.6
340.65411	14.0
347.22156	15.5
364.29568	4.7
385.23627	7.3
403.24930	57.0
421.17719	7.4
421.26340	75.6
421.35037	10.3
421.68030	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41798	3.2
55.01866	6.7
55.05516	19.3
55.72842	4.1
56.77142	4.2
56.83889	4.8
56.96553	6.2
56.98074	3.5
57.03434	14.1
57.07082	36.2
58.24981	3.3
67.05507	31.1
69.03423	6.9
69.07080	20.5
69.84153	23.5
70.06586	6.1
71.04994	4.6
71.08632	4.7
79.05517	20.1
81.07058	43.4
83.04980	5.3
83.08638	10.8
85.06560	17.8
88.07594	4.1
91.05460	18.2
93.07050	28.9
95.04964	11.3
95.08598	34.0
97.06544	9.4
97.10177	6.4
105.07043	25.5
107.08608	30.8
109.06523	17.1
109.10175	17.7
111.04440	6.0
111.08143	4.8
117.07078	5.0
119.08585	20.2
121.06478	6.3
121.10146	13.4
123.08070	11.2
123.11713	6.9
125.05921	3.5
127.11185	3.9
131.08578	9.2
133.10120	17.4
135.08081	19.3
135.11694	10.0
137.06004	26.3
143.08594	5.5
145.10085	9.3
147.08125	4.0
147.11746	11.3
149.09677	5.6
149.13254	7.4
151.07547	5.4
156.68852	4.0
157.10117	9.4
159.11723	9.1
161.09682	4.8
161.13301	4.7
162.03172	4.1
164.16376	3.8
165.12770	10.4
169.10135	5.6
171.11707	4.2
173.13321	4.5
175.11264	4.0
177.12753	5.8
179.14351	5.3
184.04451	6.1
187.14734	5.2
191.14304	6.2
193.05060	4.2
193.12233	6.4
207.13850	9.2
236.11633	4.0
245.94196	4.2
305.24805	4.7
312.04724	4.0
319.26328	12.0
329.21243	6.7
337.27298	6.5
347.25830	100.0
348.25803	4.7
365.26730	21.1
393.29980	11.6
421.25110	16.2
421.29971	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03951	2.5
55.01875	1.6
55.05509	10.8
57.07082	8.5
67.05514	19.5
69.07075	19.5
69.16497	1.2
69.33668	13.0
70.04124	1.3
71.08643	4.4
72.83578	1.2
79.05521	4.2
81.07061	9.2
83.08622	11.3
84.92886	1.1
85.10159	1.3
89.06047	3.8
91.05480	9.1
92.05038	1.4
93.07050	43.9
95.04989	3.4
95.08613	32.4
97.06561	1.7
97.10182	6.7
105.04501	1.5
105.07040	5.2
107.08594	9.0
109.06523	1.9
109.10136	9.3
111.08086	21.4
111.11720	2.8
113.00022	2.9
119.08607	4.1
121.06526	3.2
121.10163	5.8
123.11727	3.8
125.09716	2.0
127.07571	3.2
131.08577	2.8
133.08633	2.9
133.10156	3.6
135.11725	1.8
137.09612	2.2
139.07552	21.2
145.10132	1.9
147.11731	2.7
149.13258	3.4
153.09117	13.8
157.08664	2.0
157.10135	1.4
159.11714	2.6
161.13275	2.5
167.10698	8.0
169.02620	2.6
171.11679	1.5
175.14871	1.9
181.12277	5.4
195.13858	4.7
199.14937	2.1
201.16435	3.7
207.13841	2.4
209.15465	4.6
221.15475	2.5
223.14786	1.4
223.16928	2.8
265.21725	2.5
297.69250	1.5
403.35834	30.1
414.78207	1.9
421.36856	100.0
422.37265	4.7
429.63724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68115	1.4
53.03927	2.2
53.49539	1.4
55.05512	17.0
57.03417	2.4
57.07082	16.2
57.99302	1.6
61.79154	1.3
65.46223	1.3
67.05502	14.7
69.03401	1.7
69.07072	24.2
69.23772	1.4
71.08625	11.4
71.61671	1.3
72.84101	1.3
79.05454	5.9
81.07065	24.3
83.04984	20.1
83.08624	14.6
85.10143	5.2
89.06020	3.7
91.05437	5.4
93.07040	11.6
95.04958	3.6
95.08610	45.3
97.10172	7.9
99.04395	5.9
105.07048	8.2
107.08610	16.6
109.06465	6.1
109.10165	22.0
111.08036	5.9
111.11698	3.6
112.99977	3.0
113.05975	2.0
117.06986	1.9
119.08594	12.4
121.06463	4.6
121.10137	12.2
121.25972	1.5
123.08063	8.3
123.11706	8.4
125.13259	3.0
130.15935	1.3
131.08496	2.7
133.10132	18.4
135.07997	6.6
135.11713	8.0
137.06017	14.4
137.09560	5.5
137.13168	6.0
139.07457	6.4
142.05124	1.5
143.08455	1.7
145.10039	5.1
147.11667	7.6
149.09473	3.9
149.13171	6.3
151.07468	4.4
151.11137	2.4
151.14626	1.6
155.06914	5.1
155.08060	1.2
157.10059	3.2
159.08002	3.1
159.11644	3.2
161.09631	12.8
161.13197	6.1
163.11073	3.5
163.14781	1.8
165.09099	3.0
165.12688	2.4
169.02525	4.1
169.10049	2.3
171.11589	5.8
173.09547	2.3
173.13167	5.6
175.11176	7.6
175.14702	4.1
177.16234	2.0
179.10539	1.9
179.14339	2.0
185.13205	2.4
187.14745	4.6
189.12738	8.9
189.16394	3.4
191.17863	4.3
193.12177	2.5
197.13141	1.8
197.27110	1.5
199.14764	2.2
203.17781	1.8
207.13702	2.6
215.14166	3.9
217.15858	2.5
221.15544	1.7
231.17343	1.8
232.16995	1.7
239.14867	1.6
259.20374	1.9
265.19476	2.1
283.20465	4.2
283.23672	2.4
313.25000	4.9
323.32806	2.1
327.26941	10.3
357.34930	2.0
375.36255	12.9
379.35431	5.6
385.34219	6.6
393.31174	5.1
403.35870	29.0
421.34814	100.0
422.35071	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	422.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77224	3.3
56.96571	5.8
57.03442	6.5
57.35321	3.5
58.99570	4.3
69.03432	12.0
69.07067	3.7
71.05034	3.8
71.59253	5.0
76.02244	8.9
79.71777	3.0
81.03432	4.2
84.04521	8.5
85.02914	36.8
85.04008	4.9
97.02902	20.6
97.06538	13.3
98.21071	4.2
98.97604	9.6
99.04489	5.1
99.05593	12.8
103.03968	4.4
111.05554	4.1
115.05079	9.3
116.98647	4.3
117.03392	5.1
117.28461	3.2
123.68356	3.1
127.03931	10.8
127.05032	8.3
130.05026	7.8
130.06520	38.4
134.06053	8.3
135.04439	3.6
145.02829	7.0
146.06017	16.6
147.04488	7.5
157.07635	46.1
158.06018	5.9
160.07631	4.0
162.02138	3.5
163.03925	21.4
170.06052	14.7
172.07535	3.8
177.03279	8.4
179.04860	8.8
185.07198	5.3
196.07567	3.9
212.06950	3.5
214.09749	11.4
241.08519	3.7
242.09264	100.0
243.09395	3.5
256.10876	4.6
260.10263	36.8
284.10413	15.7
308.09021	4.4
326.11450	5.1
338.11349	5.2
386.13364	15.4
422.12012	7.1
422.13519	4.2
422.17065	25.6
422.23654	14.4
423.12878	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0901
Annotation	CHEBI:82808
Peak:m/z	Relative Intensity
53.03926	1.2
55.01864	0.8
60.04511	0.7
69.03415	1.8
69.07091	0.9
69.82475	0.8
70.06577	1.3
71.61166	0.7
71.61517	1.0
79.05485	1.3
81.03393	1.1
81.07059	1.1
84.04482	0.9
84.08154	0.9
85.02891	1.7
85.06513	1.0
86.09693	1.1
91.05464	2.6
93.07011	1.6
95.04937	0.8
95.08560	0.9
97.02864	2.2
98.97590	1.0
105.07000	0.8
107.08565	0.8
109.02931	0.8
109.10136	1.5
119.08568	1.1
121.02850	2.2
123.04424	1.4
127.00047	4.2
127.03906	1.1
135.04428	1.1
145.06413	0.8
150.89809	0.8
160.07727	1.2
163.07584	1.2
167.03165	2.5
167.07062	5.8
175.03664	5.0
194.09428	0.6
203.03108	1.1
219.01895	0.8
227.05298	3.8
271.04266	16.0
275.10770	0.8
319.07919	4.9
379.05353	0.9
379.10046	14.6
423.08832	100.0
424.09207	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	423.1436
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
50.15002	0.6
58.99586	6.4
65.52000	0.7
67.05508	7.1
69.03436	5.9
69.07076	19.8
71.38694	1.8
76.02220	2.9
81.03435	3.4
85.02480	0.8
85.02910	9.8
86.03279	0.8
95.04955	2.7
97.02895	3.7
98.97617	0.7
99.02672	2.3
99.04456	1.1
100.01505	0.8
101.04249	44.6
109.02889	1.6
110.05981	1.5
112.07597	2.0
122.02739	0.8
125.04172	0.9
127.02157	5.1
127.03933	2.4
127.05754	3.3
129.03708	1.8
138.05478	0.9
140.07069	7.5
145.04979	1.1
155.01614	2.2
168.04767	1.2
169.29352	0.7
170.06348	2.2
172.04286	100.0
173.04608	1.3
180.04872	1.7
182.08208	3.6
197.07463	2.8
198.05850	4.8
206.08043	1.8
214.05318	10.0
215.08571	7.2
225.39949	1.0
238.05339	0.8
244.06392	10.2
248.09186	0.9
261.09067	18.3
284.11310	0.7
285.08850	0.8
286.07431	1.4
302.12265	1.0
303.10138	2.3
316.08575	1.0
334.09503	4.9
339.10324	1.0
351.81732	0.7
377.13821	9.4
423.14386	44.7
424.14639	1.4
439.75922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
56.05042	1.2
56.85041	1.1
59.59070	1.1
66.15524	1.0
67.05495	1.7
69.03432	1.0
69.07101	1.4
70.06579	2.4
71.04964	1.0
76.35104	1.0
78.04720	4.1
79.05483	4.5
81.03417	1.9
81.07047	2.4
83.98197	1.2
84.08162	1.9
85.02898	1.5
85.06493	1.2
91.05502	5.3
93.07069	1.6
95.04969	2.1
97.02891	1.0
98.97580	2.4
103.05484	5.1
105.07021	8.8
106.04190	2.5
107.04960	8.7
107.08578	1.5
109.02917	1.9
115.05450	4.1
117.07043	1.7
123.04438	9.2
124.05219	2.3
128.06253	1.8
131.04965	6.6
133.06488	4.4
133.07407	1.2
133.10208	1.5
137.05952	4.8
145.06523	2.5
147.04449	2.1
151.03932	2.7
151.07489	2.3
152.04713	3.0
153.05486	2.0
158.07259	2.0
159.08051	1.6
161.06027	6.5
163.07556	12.7
164.06059	1.2
167.07057	100.0
168.07726	4.8
169.08186	1.5
173.05968	2.2
175.07538	2.6
177.09164	2.7
179.07011	2.0
181.04906	1.1
181.08583	4.4
187.07571	1.9
193.08626	14.8
201.08995	2.0
205.08650	1.5
217.08607	1.4
219.10146	1.6
233.11697	2.6
248.49362	1.1
291.10199	1.6
334.09924	1.2
355.15274	3.1
364.48291	1.1
369.24475	1.2
423.12424	5.9
423.19693	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44603	5.2
55.05513	18.5
56.96563	27.6
57.07083	5.7
63.82900	5.3
67.05511	100.0
69.03431	7.7
69.07065	25.6
71.61144	9.8
76.99296	6.0
79.05499	32.3
81.03424	7.9
81.07066	58.9
83.04987	11.3
83.08632	11.6
91.05494	26.6
93.07067	30.3
93.07542	5.6
95.04931	6.1
95.08607	39.6
97.06534	14.2
105.07034	18.1
107.08611	28.6
109.10177	54.0
111.08116	8.9
116.39568	5.8
119.08573	25.7
121.06526	7.7
121.10163	17.6
123.08089	12.0
131.08531	12.7
133.10147	14.0
135.11594	7.2
143.08542	7.0
145.10141	14.6
147.11711	14.2
149.13268	13.7
157.01797	5.7
157.10117	8.5
159.11746	10.8
165.09154	10.3
173.11734	8.0
173.13255	11.8
199.06447	10.3
203.10724	6.7
267.09152	7.1
269.10526	29.1
285.10214	10.2
287.11615	6.5
349.16745	13.3
394.99179	9.5
423.21457	34.7
423.27554	17.9
423.32394	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.23875	0.4
57.03442	0.5
67.05507	2.0
69.03419	0.7
69.07080	1.0
70.06601	0.4
70.88135	0.4
70.98206	0.8
71.05014	0.5
79.05483	1.2
81.03397	0.5
81.07059	2.3
83.08580	0.4
85.02905	0.8
91.05479	1.3
93.07040	1.6
95.04948	0.6
95.08605	1.9
97.06551	0.6
97.10183	0.5
98.97578	0.5
105.07014	1.4
107.08581	1.6
109.02880	0.5
109.10144	1.7
119.08575	1.4
121.10130	1.6
123.11697	0.4
131.08572	0.8
133.10127	1.3
135.11639	0.9
143.08542	0.4
145.10150	1.2
147.04353	0.3
147.11678	0.4
149.13281	0.6
151.07591	0.3
151.83083	0.3
155.08604	0.3
159.11748	0.5
165.09135	0.7
167.07054	0.6
169.04771	0.6
177.05475	0.5
187.14824	0.5
201.16476	0.6
353.15677	1.0
395.18073	0.4
423.23560	100.0
424.23755	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	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05500	1.2
56.96568	0.8
57.07062	0.7
65.44216	0.5
66.63772	0.6
67.05518	2.6
68.34988	0.5
69.03419	0.8
69.07056	1.8
69.83524	2.1
70.06601	0.8
72.76978	0.4
79.05505	1.5
81.03401	1.1
81.07055	3.6
83.04964	0.6
84.09401	0.5
85.02891	1.2
91.05490	2.7
93.07043	2.1
95.08620	3.2
97.02889	0.9
97.06546	0.9
97.10122	0.6
98.97601	0.6
99.04459	0.7
105.07034	2.7
107.04991	0.5
107.08603	3.5
109.02888	0.8
109.06525	0.7
109.10178	3.0
117.07021	1.0
119.08607	2.5
121.10142	1.9
125.09644	0.7
127.11256	0.5
131.08556	1.9
133.10117	1.9
135.11702	1.2
145.10124	2.2
147.11693	1.6
149.13249	0.8
157.10147	0.8
159.11681	1.5
161.09625	0.6
161.13213	1.0
165.09102	1.4
173.13313	0.8
183.11708	0.7
187.11342	0.4
188.03008	0.5
190.48367	0.4
217.19464	0.6
240.48160	0.6
331.17847	0.7
423.23560	100.0
424.23929	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	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03956	0.4
55.05522	0.9
56.96554	0.9
61.16177	0.4
65.03931	0.5
67.05502	2.0
69.03407	0.5
69.07053	1.5
69.35872	3.6
79.05482	1.3
81.03414	1.0
81.07054	3.2
82.07355	0.5
83.08619	0.5
84.08123	0.5
85.02900	0.7
86.09705	0.5
86.37930	0.5
91.05477	4.5
92.05804	0.8
93.07030	1.3
95.08608	1.8
97.06512	0.5
98.20761	0.7
98.97565	0.8
100.07587	0.4
100.11254	0.5
105.03354	0.5
105.07039	2.0
107.08592	1.7
109.02863	0.4
109.06539	0.5
109.10157	1.3
110.97610	0.5
111.04423	0.5
117.03376	0.5
119.04908	0.5
119.08593	1.4
119.94836	0.4
121.10154	1.4
123.11678	0.6
125.09653	0.5
127.03901	0.6
131.08586	0.7
133.10153	1.7
133.89622	0.4
135.11728	0.8
145.02803	0.6
145.10144	1.0
147.11667	0.8
149.09586	0.7
149.13237	0.8
151.07446	0.4
159.11742	0.8
161.13266	0.4
167.07074	0.8
175.60410	0.5
177.05476	1.7
187.14870	0.5
349.20123	0.7
353.15549	0.6
367.17856	1.1
368.18250	0.5
423.23523	100.0
424.23801	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67783	2.3
51.09387	2.4
53.03943	4.5
55.01862	4.9
55.05302	2.1
55.05512	18.9
55.43392	2.7
57.03429	7.2
57.07077	3.5
59.05011	3.2
65.03937	3.0
67.05509	100.0
69.03440	13.8
69.07076	22.4
70.91941	7.4
71.04993	6.2
77.91409	3.6
79.05492	39.7
79.63736	2.6
81.03424	13.8
81.07059	67.8
83.05002	4.6
83.08630	13.6
85.02908	10.3
85.06525	5.0
91.05481	36.6
93.07054	49.6
94.08328	2.3
95.04961	10.8
95.08607	42.3
97.02901	4.2
97.06532	8.2
99.04433	2.9
99.08037	3.3
105.07037	25.8
107.08596	34.6
107.88356	2.6
109.02882	3.5
109.06558	4.9
109.10153	39.2
110.81281	2.9
111.04494	4.9
111.08141	4.6
117.07040	11.9
119.08579	25.0
121.06519	5.5
121.10138	20.0
123.08073	8.7
123.11694	7.4
125.09634	4.1
129.07004	4.6
129.12761	3.1
131.08578	20.1
133.06490	4.6
133.10129	19.7
135.08092	5.0
135.11693	14.0
137.09555	2.6
140.08902	2.6
143.08568	6.2
145.06509	3.0
145.10126	12.5
147.11737	12.6
149.02364	5.4
149.09602	2.9
149.13310	16.7
155.08554	3.8
157.10118	7.0
159.11679	14.3
161.09711	4.7
161.13274	9.7
163.14807	4.6
169.10107	4.9
171.11722	6.8
173.11781	6.2
173.13197	6.0
175.11314	2.9
175.14821	4.9
177.12770	4.0
179.14232	6.4
185.13217	5.0
187.14864	5.5
189.12697	3.5
195.13773	5.6
195.50502	2.7
197.13237	2.7
199.14755	3.1
209.13300	4.3
241.19560	2.8
259.20547	5.8
261.22137	12.1
277.21552	4.5
285.22009	2.9
289.21545	3.6
303.23050	6.4
315.22879	4.3
331.26401	5.4
369.24338	8.8
387.25220	6.0
405.26297	11.0
423.26907	26.0
423.31979	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01868	6.4
55.05510	27.9
56.96570	4.0
57.03428	7.0
58.03809	3.0
59.05003	4.2
64.10545	3.1
65.03937	3.4
67.05171	6.8
67.05508	100.0
69.03421	15.2
69.07074	21.9
71.04986	8.5
71.42216	5.9
79.05495	45.6
81.03422	26.6
81.07061	74.2
83.04977	6.5
83.08610	13.5
85.02909	5.5
85.06517	6.2
91.05487	43.5
93.07043	53.5
95.04959	11.6
95.08607	50.8
97.02903	6.5
97.06520	8.2
97.10171	6.1
99.04465	4.3
105.07046	32.4
107.04912	3.4
107.08601	36.2
109.06496	4.6
109.10159	51.3
111.08077	9.1
115.05486	4.1
117.07005	12.1
119.08572	30.3
119.98376	3.3
121.06528	5.5
121.10148	27.6
121.13918	3.3
123.08065	7.1
123.11720	12.0
123.81170	3.4
127.07568	3.8
129.05443	3.3
129.07039	6.8
131.08597	16.1
133.06531	4.2
133.10159	30.4
135.08047	7.6
135.11757	16.6
137.09589	5.0
143.08562	11.1
145.06474	3.5
145.10133	20.0
147.11671	19.4
149.13258	12.5
155.10593	5.1
157.10126	10.9
159.11682	22.6
161.13223	8.1
165.09090	5.1
169.10071	7.2
171.11655	7.7
173.11726	8.5
173.13292	8.6
173.22588	3.7
175.11125	4.7
175.14848	6.5
179.14302	4.2
181.10074	3.7
185.13258	7.5
187.11131	5.8
187.14821	4.4
195.11670	4.0
195.13840	5.1
197.13263	4.8
201.12794	4.8
201.16377	4.9
207.13721	3.4
247.98346	3.9
259.20523	8.3
261.22083	10.0
273.22122	3.9
289.21585	4.5
303.23175	8.8
315.22873	4.6
369.24319	9.9
387.25369	8.1
405.26559	15.2
423.27411	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.01871	7.2
55.05519	23.2
57.03442	5.2
57.07072	5.9
59.05001	4.0
65.03949	3.3
67.05161	5.0
67.05508	74.0
69.03429	19.1
69.07074	23.1
71.04991	7.4
71.08647	3.8
71.59963	3.6
73.02928	2.7
78.58060	2.0
79.05497	52.5
81.03425	15.8
81.07062	80.0
83.04975	4.6
83.08624	10.0
85.02914	4.7
85.06545	4.0
91.05494	37.7
93.07053	68.1
95.04984	8.3
95.08613	56.5
95.39928	2.2
97.02897	45.8
97.06519	6.8
97.10151	4.0
99.04470	13.7
99.08109	2.9
105.07040	30.2
107.08599	44.0
109.02896	8.9
109.06532	23.2
109.10170	28.7
111.04414	2.2
111.08088	4.6
117.07030	12.7
119.08570	33.1
121.06500	3.7
121.10150	37.7
123.08072	44.0
123.11703	8.2
127.03912	23.7
129.07013	5.6
131.08556	20.4
133.10152	20.4
135.08063	11.8
135.11700	25.3
137.09636	3.9
137.13226	2.9
143.08603	3.1
145.04964	4.2
145.06482	4.0
145.10135	17.1
147.11678	18.1
149.13319	11.8
151.11147	3.1
157.10173	7.1
159.08081	3.7
159.11710	15.9
161.09654	3.6
161.13260	12.2
163.14836	6.4
165.12779	4.2
171.11664	2.1
173.11909	3.0
173.13234	11.5
175.14879	5.0
177.12773	5.0
177.16409	2.7
179.14302	57.0
179.15800	4.2
179.36363	2.2
183.11765	2.4
185.09610	3.0
185.13286	4.5
187.11223	3.4
187.14804	5.9
189.16435	2.4
197.13191	2.9
199.14880	2.9
201.16447	3.4
205.15944	3.1
209.13306	2.7
230.71364	2.1
243.21132	5.7
259.20590	4.1
261.22171	25.8
273.22226	2.3
275.20166	6.1
303.26660	4.7
329.25018	2.5
331.26245	34.1
339.80292	2.3
349.27283	12.4
357.24323	4.4
378.14725	4.2
423.26840	26.8
423.31131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.2
53.03944	10.2
53.92976	2.0
55.01868	9.7
55.05517	31.6
57.03452	11.1
57.07066	5.3
63.28364	1.9
65.03922	7.3
67.05511	96.4
69.03438	34.9
69.06758	2.5
69.07075	27.9
70.02562	4.2
70.02982	6.4
71.01335	1.8
71.05003	10.2
73.02906	5.4
79.05497	74.2
80.95306	2.2
81.03423	42.9
81.07065	100.0
83.05016	12.2
83.08615	14.8
85.02905	18.0
85.06541	3.4
91.04952	3.8
91.05487	58.2
93.07051	94.7
95.04960	18.3
95.08611	72.6
97.02895	9.0
97.06559	9.6
97.10152	5.8
98.21439	2.2
99.04481	10.6
99.08078	3.7
101.02429	2.6
103.03937	4.7
105.06376	3.6
105.07036	56.8
107.04924	5.7
107.08607	45.9
108.88481	1.8
109.02866	4.8
109.06510	7.4
109.10173	34.2
111.04447	11.4
111.08077	5.1
113.09633	1.9
117.07021	26.1
119.07788	3.2
119.08589	45.4
121.06496	7.9
121.10147	42.6
123.04466	2.5
123.08086	11.8
123.11713	9.8
125.09653	4.6
127.03896	5.5
128.06230	3.8
129.05473	7.1
129.07010	13.6
131.08582	40.1
133.06468	7.4
133.10144	33.3
135.08057	5.7
135.11702	26.9
137.09598	7.0
137.13271	3.8
139.07472	2.0
139.11174	3.1
141.07053	3.7
142.07808	2.3
143.08537	12.7
145.06476	4.0
145.10136	34.3
147.08054	8.2
147.11697	28.1
149.09625	5.6
149.13258	18.0
151.07527	2.6
151.11179	3.4
153.06998	2.9
155.08522	6.2
157.06456	2.2
157.10097	14.3
159.08104	3.7
159.11728	20.9
159.80249	2.1
161.09572	4.4
161.13278	18.5
163.11179	4.5
163.14807	7.5
165.12621	2.8
167.08612	2.6
169.10146	6.9
171.07985	2.9
171.11696	13.5
173.09576	3.7
173.13260	21.7
175.11168	2.9
175.14784	8.1
177.12721	4.6
177.16447	2.4
179.14337	5.1
181.10127	4.1
183.11671	6.5
185.13246	11.2
187.11224	2.8
187.14821	10.6
189.12738	6.1
189.16443	3.1
191.10590	2.0
195.11720	4.8
197.13219	5.3
199.11218	3.9
199.14784	6.4
201.12746	3.9
201.16443	6.0
203.14307	3.5
209.13333	2.5
211.11166	2.9
211.14732	5.0
213.16371	4.2
215.14218	3.7
217.12236	2.3
221.13293	3.1
227.17899	2.3
233.15341	3.0
235.13176	2.9
241.19543	6.4
243.17422	2.8
243.21037	6.8
249.14915	3.0
259.20557	16.2
261.22208	25.1
267.21008	2.4
273.22116	4.2
275.23840	4.2
277.21561	6.1
285.21994	3.2
289.21640	5.1
301.21771	4.7
303.23178	19.0
315.23120	5.4
317.24802	2.6
319.22675	2.3
327.23267	6.1
331.22525	5.0
331.26157	3.4
341.24823	3.6
345.24210	3.8
351.23132	6.1
369.24207	21.4
387.25311	21.8
405.26431	27.2
423.26932	19.9
423.31961	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
55.01872	10.6
55.05508	31.1
57.03435	10.2
57.07067	6.8
65.03937	5.0
67.05164	5.7
67.05509	100.0
67.05867	4.9
69.03448	14.3
69.07074	28.1
69.57073	7.6
69.57499	11.9
71.04988	13.1
73.02908	10.2
75.74177	2.8
76.89452	2.9
79.05496	73.9
79.99791	3.2
81.03451	12.8
81.07065	95.3
83.04991	4.3
83.08614	12.7
85.02901	6.4
85.06535	6.6
89.06039	3.9
91.05482	50.9
93.07047	83.3
95.04983	9.0
95.08613	73.8
97.02270	5.1
97.02901	98.9
97.06545	7.8
97.10165	3.7
98.21384	5.7
99.04469	49.0
99.08076	3.4
105.07029	37.4
107.07938	5.0
107.08604	54.7
109.02891	14.0
109.06535	8.6
109.10175	48.8
111.04422	4.2
111.08073	6.0
117.07026	16.0
119.08589	35.9
121.10151	45.1
123.08071	20.0
123.11707	13.6
125.09634	2.7
127.03927	34.3
129.06956	4.2
131.08583	25.5
133.10132	25.3
135.08116	2.8
135.11710	34.8
137.09636	4.5
137.13287	4.1
138.64873	2.6
143.08578	6.1
145.04974	13.3
145.10152	22.6
147.11696	20.5
149.13246	21.6
157.10100	4.0
159.08093	2.9
159.11726	18.0
161.13272	13.7
163.14824	7.9
166.55956	2.9
169.10110	4.2
171.11748	6.4
173.11932	4.0
173.13222	17.2
175.14850	6.4
177.12787	5.3
177.16348	6.4
179.14296	22.9
183.11688	4.7
185.13353	3.1
187.14816	6.7
189.16400	5.4
191.14301	2.9
191.17973	4.2
201.16331	6.2
203.17914	3.4
209.13324	2.9
215.17923	5.4
223.02794	2.9
227.17801	2.9
238.70493	3.3
241.19487	4.0
243.21100	7.9
261.22153	26.9
279.23175	3.5
281.19476	2.7
291.87149	2.9
331.26447	14.7
333.17285	3.2
349.27209	2.9
361.27011	2.8
423.26361	5.9
423.31876	37.7
423.36453	7.8
439.18216	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35581	1.7
51.74527	1.4
53.03945	4.4
55.01866	5.1
55.05509	12.0
57.03430	4.0
57.07070	2.9
61.24757	1.6
65.03954	3.0
67.05510	36.3
69.03431	9.6
69.07071	12.6
71.04993	5.6
71.08632	3.5
71.61239	1.4
71.61696	2.0
79.05494	23.6
80.82131	1.6
81.03426	8.3
81.07059	39.7
81.07516	3.2
83.04988	2.2
83.08620	6.1
85.02906	2.9
85.06547	2.1
91.05482	15.2
93.07042	29.8
94.36304	1.6
95.05008	2.0
95.08611	26.4
97.02896	19.9
97.06524	3.6
97.10168	2.7
98.05825	1.5
99.04469	13.9
99.08135	1.8
105.07047	15.2
107.08586	15.4
109.02893	7.2
109.06514	14.6
109.10160	16.0
111.04476	2.6
111.08119	3.8
113.70086	1.5
117.07052	4.4
119.08601	13.5
119.71799	2.0
121.10136	14.7
123.08070	46.0
123.08926	2.6
123.11700	3.9
127.03938	16.1
129.07039	2.0
131.08572	9.2
133.10158	11.0
135.08104	10.9
135.11691	10.3
137.09641	4.4
143.47107	1.4
145.10141	8.4
147.11714	6.7
149.09654	4.6
149.13268	8.7
151.11270	1.5
157.10106	2.3
159.11707	4.8
161.13272	5.9
163.14902	1.6
165.12805	2.2
173.11850	2.0
173.13242	4.2
175.14833	2.8
177.12788	3.8
179.14317	34.7
179.15773	2.8
186.93893	1.5
187.14839	2.6
201.16283	1.9
212.63347	1.7
215.18065	1.6
228.53868	1.8
241.70201	1.8
259.20493	2.8
261.22141	10.2
271.79147	1.6
275.20071	5.0
277.21594	1.7
293.21118	4.5
303.26779	4.3
307.67923	1.6
331.26288	32.0
332.25943	1.5
349.27432	9.1
349.70502	1.7
357.24323	2.3
405.30484	2.3
414.05417	1.7
423.31158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34421	0.6
53.03933	1.1
55.01872	1.2
55.05291	0.6
55.05519	6.8
57.03435	2.9
57.07079	4.4
64.01019	0.6
67.05511	13.9
69.03412	0.9
69.07072	6.9
69.88763	3.2
70.59013	0.6
71.04991	1.5
71.08640	4.3
74.38605	0.5
79.05489	9.3
81.03403	0.9
81.07059	18.6
83.05000	1.1
83.08627	3.9
85.06547	3.8
90.46131	0.6
91.05487	6.6
93.07054	12.4
95.04974	1.5
95.08609	14.2
97.02901	5.8
97.06531	2.6
97.10139	1.2
99.04436	2.8
99.08081	2.7
105.07036	6.2
107.08598	8.6
109.06524	18.7
109.10160	6.8
111.08076	2.0
117.07008	1.0
119.08582	8.7
119.24629	0.6
121.10142	6.9
122.07279	2.1
122.10474	0.6
123.08079	35.1
123.11683	2.9
127.03915	1.3
129.07004	0.9
131.08578	3.8
133.10143	4.7
135.08067	8.2
135.11684	4.2
137.09607	1.7
137.13287	0.9
143.08531	0.7
145.10150	3.2
147.08044	0.6
147.11693	4.1
149.09627	2.8
149.13266	3.6
151.11154	0.9
159.11702	3.0
161.09654	0.7
161.13281	2.1
163.14697	0.7
165.12741	1.7
167.14325	1.4
173.13251	2.1
175.14812	1.4
177.12741	2.4
179.14317	90.2
180.14638	1.5
187.14865	0.9
191.14316	1.4
193.15819	3.9
201.16356	1.2
205.15919	3.7
233.19012	1.2
261.22299	1.9
263.20142	0.9
275.20181	2.4
280.39981	0.6
289.25470	1.0
293.21198	0.9
303.26831	2.5
331.26324	37.0
332.26746	1.5
349.27414	8.4
405.30084	2.7
423.31085	100.0
424.31323	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19110	0.6
53.03950	1.7
55.01863	1.9
55.05524	6.5
57.03430	2.0
57.07085	5.5
65.03942	0.9
67.05161	1.2
67.05507	18.5
68.91660	0.6
69.03442	4.3
69.07074	7.3
69.43808	0.6
71.04993	2.3
71.08630	3.9
71.60284	1.0
73.02921	1.1
75.04497	0.9
79.05116	0.9
79.05502	12.0
81.03418	2.8
81.07058	19.3
83.04996	1.2
83.08599	3.2
85.06537	2.8
91.05475	6.0
93.07044	12.4
95.04966	1.7
95.08609	15.5
97.02900	5.3
97.06532	2.3
97.10159	1.6
99.04456	4.3
99.08090	2.0
102.69523	0.6
104.56771	0.7
105.07033	8.0
107.08595	9.5
109.02905	1.7
109.06525	19.1
109.10153	8.9
111.08096	2.6
117.07030	1.4
119.08585	8.3
121.06493	1.1
121.10148	8.2
121.10934	1.1
122.07313	2.4
123.08071	31.0
123.11707	2.4
125.09650	1.1
125.58325	0.6
127.03913	5.8
129.06996	1.5
131.08582	3.6
133.10150	6.1
135.08055	8.7
135.11690	4.9
137.09622	1.8
137.13281	1.2
143.08559	0.9
145.10144	4.5
147.11681	4.4
149.09628	2.0
149.13229	3.2
157.10149	1.1
159.11679	3.3
161.09573	0.8
161.13290	2.4
163.11198	0.7
163.14803	1.3
165.12743	1.7
167.14365	1.5
171.11719	1.1
173.13298	2.5
175.14790	0.8
177.12772	1.8
177.16344	0.7
179.14314	81.2
180.14719	1.8
187.14851	1.3
191.14342	1.8
193.15913	3.1
201.16333	0.9
205.15851	3.7
215.18112	0.7
233.19043	1.5
261.22229	2.4
263.20102	0.7
275.20117	2.5
289.25253	0.8
293.20923	0.7
303.26990	1.7
313.25092	0.8
323.71371	0.7
331.26324	36.5
332.26581	1.3
349.27338	1.6
367.24930	0.9
423.31125	100.0
424.31427	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
53.94269	0.9
55.01868	1.6
55.05513	10.2
57.03432	3.4
57.07091	6.0
59.05000	1.1
67.05509	16.2
69.03425	1.5
69.07076	14.5
69.83326	5.2
71.04983	2.5
71.08627	2.9
79.05492	10.7
81.07059	26.6
83.04990	2.0
83.08634	6.8
83.65929	0.9
85.06550	3.7
91.05473	7.3
93.07057	15.0
93.15723	0.9
95.04967	2.2
95.08614	22.6
97.06525	4.1
97.10194	3.5
99.08037	2.0
105.07044	8.9
107.08598	14.5
107.70106	0.9
109.06532	15.5
109.10178	10.3
111.08086	2.5
113.00048	1.9
115.39231	1.0
117.07024	2.3
119.08585	12.2
121.10151	11.8
122.90500	1.1
123.08075	43.9
123.11713	4.0
125.09647	1.2
129.07034	1.3
131.08571	4.5
133.10127	7.5
135.08058	10.3
135.11684	5.5
137.09613	3.9
137.13310	1.5
143.08575	1.4
145.10097	6.6
147.11723	6.3
149.09616	2.8
149.13272	4.5
151.14784	1.1
157.10132	1.3
159.11737	5.1
161.09694	1.8
161.13284	3.6
163.14809	1.6
167.14249	1.5
169.02563	2.3
169.10146	1.0
171.11745	1.6
173.13287	3.1
175.14868	3.2
177.12798	3.1
177.16457	1.1
179.14319	45.8
185.13292	1.9
187.14915	2.4
189.16490	1.7
193.15878	2.3
201.16476	2.0
205.15915	2.2
215.17783	1.5
244.99046	1.0
245.19162	1.1
275.20111	4.0
289.25555	1.3
293.21103	1.7
303.26852	3.9
311.26022	1.3
311.47998	1.0
331.26315	35.3
349.27524	7.8
367.24817	1.2
387.32776	2.3
405.33731	4.7
423.31119	100.0
424.31317	3.1
424.98865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0846
Annotation	rostratin B
Peak:m/z	Relative Intensity
55.01863	10.5
55.05502	15.6
56.96566	27.9
56.96815	7.1
60.04540	15.1
64.07441	5.6
64.73318	7.0
66.40332	5.7
67.05506	28.5
69.03426	12.6
69.07060	15.1
70.06596	73.8
71.04990	11.4
72.08161	15.2
72.33779	6.2
74.02449	15.3
78.69965	5.9
79.05497	21.2
81.03416	10.8
81.07061	46.1
83.04964	10.8
83.08630	9.3
84.04479	9.0
84.08141	11.6
84.96073	9.7
85.02930	8.6
85.06561	21.3
86.09700	9.7
91.05502	21.4
93.07045	28.6
95.08609	31.9
97.02898	19.8
98.97588	22.7
99.08082	13.5
105.07037	18.0
107.04924	7.5
107.08612	14.1
109.02869	6.8
109.10172	22.3
112.99142	15.8
116.07103	11.1
116.98673	13.4
121.10162	13.7
129.10313	8.1
131.00183	16.3
135.04248	6.8
135.11708	19.0
136.07553	7.6
137.02345	17.9
137.06029	6.4
144.08238	6.0
147.04326	8.4
147.11678	8.4
155.05080	7.8
159.08089	7.4
167.07050	7.4
168.98135	9.7
174.58774	7.2
177.05501	22.0
183.14929	28.2
186.99184	7.2
201.05444	8.2
209.19043	12.7
211.02832	11.2
211.14476	24.0
215.13943	8.6
217.05043	7.2
227.20068	41.8
229.03877	10.8
245.12878	8.7
245.21123	12.5
263.13867	21.6
304.51953	6.7
310.21240	11.9
311.05524	10.3
319.04846	16.5
323.05536	11.0
337.06808	10.1
341.06534	18.4
351.08557	15.0
353.24619	9.0
365.06473	8.0
379.08087	14.4
389.05417	6.9
389.27402	7.2
407.07660	35.4
425.09286	100.0
425.14291	56.3
425.18213	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48403	0.8
55.01852	1.0
56.96558	1.5
57.03443	0.9
58.38848	0.8
63.72734	0.9
64.80215	0.8
65.68623	0.8
65.71922	1.0
67.05500	1.4
68.05031	1.5
69.03430	2.2
69.73237	0.9
70.06595	3.6
71.60519	1.2
72.08127	1.2
73.02905	1.9
81.03419	1.2
82.62920	0.8
84.04502	1.8
84.08123	2.9
85.02909	4.4
86.06059	1.2
89.03927	2.2
91.05489	1.4
95.04958	1.4
96.08135	0.9
97.02892	3.1
98.97591	4.1
107.04952	2.1
107.07075	0.9
109.02894	1.1
110.07163	1.4
114.05508	1.4
116.98631	1.8
117.03373	1.5
118.06547	2.8
119.04922	0.9
120.08113	1.6
124.07598	1.1
127.03933	2.0
130.03215	1.1
130.06552	2.0
132.05644	0.9
132.06587	4.6
132.08092	16.9
135.04391	2.9
136.07552	1.2
137.06001	1.7
144.08105	2.3
145.02859	2.0
146.06006	9.0
147.04396	2.1
151.71751	1.0
163.00070	1.2
163.03908	10.7
164.04301	1.6
177.05466	1.3
188.07054	15.7
189.00764	1.6
191.96558	0.9
200.20378	0.9
217.13391	0.9
219.01904	1.5
220.99796	1.0
221.12868	1.3
237.02907	2.1
245.12944	2.0
249.07375	10.0
263.13928	23.1
291.08530	1.5
425.10580	100.0
425.17899	14.9
426.10849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38999	0.5
69.03441	0.9
70.94238	1.6
76.95453	0.7
82.99868	2.7
97.02856	0.9
101.00887	19.5
107.55899	0.6
111.47510	0.6
113.00880	4.8
118.08640	3.3
119.01930	15.8
127.02418	3.9
131.01903	6.5
137.00807	1.1
138.67508	0.7
139.02409	2.1
143.01903	39.0
145.03468	7.8
147.01439	0.7
153.03989	0.9
155.01900	15.6
157.03508	4.8
161.02966	37.6
162.03139	0.7
167.01932	10.9
169.03442	2.9
171.04982	1.9
173.02982	19.1
175.04568	0.8
177.02373	0.9
179.01897	5.3
185.02965	31.4
187.04532	3.3
191.04010	4.2
197.02966	13.5
203.04034	13.7
209.02888	1.6
215.04036	6.2
221.05092	1.3
225.02623	0.7
227.04050	9.8
228.04436	0.7
233.05115	0.8
245.05083	100.0
246.05191	3.1
257.05048	5.3
260.31958	0.7
263.06137	24.4
275.06125	12.7
293.07205	3.0
305.07187	8.5
308.14731	0.9
335.08127	2.4
355.12405	0.7
365.09357	5.0
425.11542	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1416
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.36507	0.7
55.01854	0.8
56.96554	0.6
58.77539	0.6
67.05502	0.9
70.06567	1.9
70.64149	2.0
81.07059	1.1
84.08118	1.1
91.05455	1.9
95.08589	0.8
98.97552	1.0
104.10622	0.7
105.07053	0.6
113.77074	0.7
137.02351	2.4
147.91977	0.7
153.03720	0.7
161.02388	0.7
189.01852	0.7
195.55597	0.6
203.03455	0.8
217.04973	0.8
281.69965	0.7
293.09781	1.5
295.56662	0.7
310.04691	1.2
311.05444	2.2
323.05463	2.8
337.07016	2.0
341.06628	5.8
351.08630	1.8
353.06308	0.7
365.06210	1.6
371.26254	0.8
379.07980	1.8
389.06470	1.0
389.27356	0.7
407.07669	6.5
425.08911	8.0
425.14133	100.0
426.14563	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01644	0.7
54.26773	0.7
55.05512	3.4
56.96564	0.6
57.03448	0.6
62.05354	0.7
67.05508	7.5
67.93259	0.6
69.03403	0.8
69.07072	4.8
70.06567	0.6
71.04971	0.6
71.59827	0.9
79.05499	4.0
81.03433	0.8
81.07061	10.8
83.05008	0.8
83.08617	2.6
85.06556	0.8
91.05502	3.4
93.07056	7.3
95.04942	1.5
95.08611	14.9
97.02882	0.6
97.06477	1.0
97.10207	1.3
98.97606	0.9
105.07035	6.6
107.04955	0.8
107.08591	10.0
109.06487	1.0
109.10165	12.4
111.08066	1.2
113.42113	0.6
117.07044	1.1
119.08565	6.3
121.10133	7.2
123.11710	4.6
125.09656	1.1
131.04961	0.8
131.08566	1.4
133.06517	0.9
133.10123	5.4
135.08020	1.0
135.11685	4.6
137.13228	3.6
139.11227	0.7
143.08554	1.4
145.02814	1.4
145.10089	2.2
147.11696	4.7
147.31956	0.6
149.13309	3.6
159.11713	2.6
161.09570	1.1
161.13248	3.6
163.14845	1.6
165.09138	2.1
169.67639	0.6
173.13286	1.5
175.14774	1.6
177.05495	1.0
177.16425	2.5
185.13246	1.1
185.94739	0.6
187.14830	1.1
189.16374	2.2
191.17953	7.9
201.16449	1.2
203.17926	3.6
205.19504	1.5
217.19513	5.6
229.19402	1.2
235.20596	2.3
243.20905	0.8
245.22565	0.8
321.72455	0.6
384.12674	0.7
407.36902	0.8
425.25122	100.0
425.37524	3.9
426.25311	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74848	0.4
53.03940	0.5
55.01180	0.4
55.05496	1.1
56.96558	1.1
61.02943	0.4
61.27015	0.4
65.03922	0.4
67.05508	2.1
69.07055	1.8
69.61909	1.4
69.62320	1.4
71.04961	0.6
79.05487	1.8
81.07059	3.9
82.56951	0.5
83.04984	0.7
83.08596	0.5
86.09731	0.4
88.35672	0.5
91.05473	1.6
93.07055	2.6
95.04971	0.6
95.08609	3.4
97.06493	0.6
97.10188	0.6
98.21513	0.8
98.97578	0.8
99.04372	0.4
99.08071	0.5
105.07041	2.7
107.04950	0.8
107.08598	3.3
109.02877	0.6
109.06499	0.6
109.10154	3.2
110.97556	0.4
114.27641	0.5
117.07037	0.4
119.08574	2.9
120.66000	0.5
121.10152	3.1
123.11703	0.9
125.09671	0.5
129.07030	0.6
131.08546	1.1
133.10136	2.3
135.08029	0.7
135.11725	1.9
137.13260	0.6
139.77354	0.4
145.10118	1.7
147.04480	0.4
147.11703	1.3
149.13297	1.2
157.10086	0.5
159.11674	0.7
161.13263	1.4
165.09106	1.2
171.11714	0.5
173.09575	0.5
173.13268	0.6
175.14961	0.5
177.05463	0.6
187.11139	0.5
189.16402	0.7
191.17964	2.2
197.13245	0.4
201.16437	0.7
217.19640	1.0
219.01797	0.6
255.09114	1.4
273.10266	0.6
334.37482	0.5
365.16586	1.2
365.20935	0.5
425.25146	100.0
426.25317	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
56.96573	0.9
61.60077	0.4
67.05497	1.7
69.03430	0.9
69.07059	1.7
70.06615	0.8
71.59953	0.6
72.73513	0.4
79.05489	1.4
81.07053	3.0
82.98841	0.5
83.04958	0.6
85.02887	1.2
91.05475	1.9
93.07038	2.6
94.07372	0.4
95.04980	0.6
95.08601	2.8
97.02915	0.7
97.06545	1.0
98.97559	0.5
105.07021	2.4
107.08605	1.8
109.02885	0.5
109.06493	0.6
109.10196	1.8
111.08099	0.5
117.03480	0.5
118.08604	0.8
119.04980	0.7
119.08582	1.4
121.10157	1.7
123.08049	0.7
123.11732	0.9
123.93976	0.4
125.09563	0.5
131.08627	0.7
133.10120	1.6
135.11713	0.8
137.09599	0.9
143.08614	0.6
145.10135	1.4
147.04353	0.8
147.11711	1.3
157.10161	0.5
161.13266	0.7
163.07591	0.6
165.09113	7.4
167.07047	1.1
167.08539	0.5
168.81010	0.5
173.13170	0.7
175.14832	0.7
177.05501	1.4
179.10817	0.5
189.16425	0.5
191.06953	0.5
203.10715	1.0
207.06531	0.6
211.14763	0.5
213.31725	0.5
235.08728	0.5
263.08179	8.3
263.10803	0.7
271.16605	0.5
351.21649	0.6
415.63156	0.5
425.13181	2.5
425.25134	100.0
426.25247	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2513
Annotation	Briarellin N
Peak:m/z	Relative Intensity
55.01854	0.6
55.05506	2.1
56.96571	0.6
58.06595	0.6
67.05513	2.8
69.03422	1.4
69.07062	2.3
70.06583	0.7
70.47215	0.5
71.61176	0.7
74.96149	0.4
79.05488	2.3
81.03409	0.7
81.07062	5.3
81.47476	0.4
83.04976	0.9
83.08607	0.6
84.08154	0.6
85.02894	1.0
89.03919	2.6
91.05467	3.0
93.07054	2.9
93.18109	0.4
95.04996	0.9
95.08622	3.7
97.06541	1.3
98.97569	0.8
99.42008	0.5
101.36449	0.5
103.05466	0.6
105.07032	3.4
107.08596	2.9
109.02880	0.8
109.06554	1.3
109.10143	2.4
117.03389	6.8
117.07041	0.8
118.08667	3.5
119.08594	1.8
120.96761	0.5
121.06522	0.6
121.10183	2.2
123.08159	0.6
123.11700	1.3
127.03939	0.5
129.06956	0.5
129.10303	0.6
131.08578	1.2
133.10114	1.5
135.04420	0.6
135.08089	0.6
135.11707	1.5
137.05984	0.7
137.09589	1.0
137.13239	0.9
143.08618	1.0
145.02864	12.8
145.10155	2.2
147.04408	0.7
147.08026	0.5
147.11732	1.3
149.05991	1.9
149.09622	0.6
149.13263	1.1
151.07726	0.6
151.11183	0.7
153.05563	0.7
156.09355	0.7
159.08148	0.7
159.11673	1.0
161.13359	1.2
165.09109	3.9
167.07040	0.6
171.11732	1.0
173.13289	0.7
175.14803	0.8
177.05475	20.5
178.05814	0.5
185.13452	0.5
191.17978	1.3
203.14375	0.6
215.07132	0.6
220.27492	0.5
231.10301	0.6
237.02916	0.6
299.05637	0.6
356.91876	0.5
425.13177	4.2
425.25143	100.0
426.25070	0.9
426.29123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.3
55.05510	31.1
57.03436	4.6
57.07060	11.4
58.27984	3.7
67.05164	5.1
67.05509	81.6
67.41640	3.3
68.05871	3.4
69.03447	23.9
69.07074	32.4
71.04992	6.5
71.08634	5.6
71.60070	5.3
79.05494	49.9
81.03428	35.3
81.07061	100.0
83.04991	8.6
83.08638	19.9
84.72369	3.3
85.02900	12.9
85.06544	8.9
85.98444	3.5
91.05491	37.9
93.07047	53.4
95.04953	13.1
95.08612	81.6
97.02883	13.4
97.06525	6.2
97.10182	10.3
99.04479	8.2
99.08081	5.4
105.07033	42.5
107.04951	7.7
107.08598	40.5
109.02886	4.1
109.06519	13.3
109.10168	37.2
111.04475	6.7
113.09594	3.5
117.06985	7.6
119.08611	27.5
120.64275	3.7
121.06516	6.4
121.09456	2.9
121.10165	27.3
123.04446	3.4
123.08064	7.1
123.11708	14.5
125.06021	4.6
125.09647	5.7
127.03918	7.7
129.05510	5.1
129.07021	11.0
131.08571	22.5
133.10133	24.1
135.08038	8.5
135.11674	17.2
137.09581	4.7
137.13263	6.8
139.11061	4.8
142.07822	4.9
143.08580	8.8
145.10136	18.6
147.11681	19.8
149.09608	4.2
149.13246	15.4
151.07625	4.2
151.11203	6.6
151.14899	4.5
155.08598	3.7
157.10109	6.4
159.11670	15.7
161.09575	5.5
161.13263	11.7
163.11232	4.3
163.14822	9.0
165.12805	4.6
169.10152	4.5
171.11700	10.0
173.13304	11.3
175.11226	3.2
175.14812	11.6
177.12820	5.2
177.16393	4.5
185.13239	6.8
187.14862	9.3
189.12627	5.1
189.16438	5.2
191.14308	4.2
197.13258	4.2
199.14821	6.9
203.14330	4.2
203.17957	7.7
205.15921	3.8
207.17525	4.6
213.12756	3.1
213.16374	4.6
231.17570	5.0
233.15240	3.7
243.21210	4.7
245.22554	4.4
261.22635	3.7
263.23709	7.5
279.23032	4.2
291.23294	6.4
293.24933	4.6
303.23386	5.1
305.24640	6.0
317.24704	5.5
329.24973	4.6
347.26010	3.7
371.25781	18.7
389.26733	18.2
407.28018	16.7
425.16293	7.6
425.30002	8.2
425.34662	7.3
433.69525	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05510	11.2
57.07077	14.0
59.04999	3.2
59.66077	1.9
61.67291	2.5
65.79868	2.1
67.05512	23.9
69.07066	18.3
71.04986	4.5
71.08640	7.8
71.61565	2.8
72.08967	2.8
79.05511	10.5
80.24474	1.9
81.07062	44.0
83.08627	8.1
85.06554	22.1
85.10194	4.6
89.06034	22.5
90.06377	6.7
91.05477	18.5
93.07047	30.1
95.05025	3.6
95.08613	50.3
97.06528	3.3
97.10194	5.9
105.07041	37.5
107.08603	46.6
109.06567	3.1
109.10165	34.7
111.08092	5.1
111.11774	3.6
117.07082	5.2
119.08587	47.5
119.61172	1.9
121.06503	2.1
121.10153	31.8
123.08083	4.5
123.11734	11.1
125.09644	3.0
131.08565	19.9
133.08618	9.7
133.10146	28.8
134.08989	3.8
135.08043	4.7
135.11705	22.6
137.09605	3.0
137.13290	7.3
139.11226	2.9
142.07834	3.1
143.08563	7.9
145.10136	34.6
147.11690	18.9
149.09731	2.2
149.13258	14.6
151.11249	2.5
153.12694	2.3
155.05034	2.4
157.10165	9.4
158.19775	2.1
159.11708	27.5
161.09544	3.4
161.13260	27.6
163.11221	5.2
163.14894	10.0
165.12817	9.2
169.10222	4.0
171.11734	9.3
173.13289	15.0
175.14793	13.3
177.12773	7.2
177.16396	16.3
179.14485	3.7
183.11868	2.2
185.13368	6.5
187.14835	19.3
189.16415	16.2
191.14362	9.7
191.17958	4.9
193.15898	6.2
199.14931	5.6
201.16409	48.0
201.18234	3.8
203.14363	3.8
203.17967	7.7
205.15933	20.6
205.19768	2.3
207.17511	6.2
211.14812	2.4
213.16423	3.0
215.18073	7.5
217.16013	2.8
217.19576	3.9
219.17383	16.0
227.18037	3.8
231.17418	4.7
233.19110	4.3
239.14906	5.4
239.18173	3.1
240.15373	3.9
245.18869	2.4
253.19583	3.1
265.19638	3.1
271.20691	3.0
273.22220	3.4
297.22186	2.2
309.25836	2.5
311.23602	2.3
333.13507	3.1
365.19559	6.5
383.33276	7.8
389.32062	5.7
407.33151	28.1
407.37561	2.8
408.33975	8.2
413.60999	2.5
425.21759	31.6
425.34305	100.0
426.34641	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	15.7
57.07069	8.9
67.05506	34.2
69.06769	3.1
69.07075	38.8
69.82315	3.0
71.04981	7.3
71.59709	3.8
74.90607	2.8
79.05508	17.4
81.07063	95.2
83.08620	16.4
85.06579	3.4
91.05469	13.0
93.07049	47.2
95.08617	100.0
97.10161	10.9
105.07031	34.1
107.08602	64.1
109.09440	5.1
109.10163	74.2
111.08061	5.6
111.11722	8.8
117.28320	2.8
119.08589	39.2
121.10160	51.6
123.08067	3.1
123.11061	2.9
123.11737	32.7
127.11215	14.2
131.08562	12.2
133.10130	31.8
135.11707	43.1
137.13258	17.0
143.08533	5.1
145.10132	20.1
147.11700	30.1
149.13249	33.4
157.10123	6.6
159.11687	25.0
161.13261	24.3
163.14761	16.9
169.10117	2.8
171.11664	6.3
173.13310	20.6
173.60574	3.2
175.14854	16.8
177.16367	18.7
185.13234	6.0
187.14729	14.4
189.16432	19.5
191.17975	13.8
195.17412	4.9
201.16443	8.9
203.17947	15.7
205.19554	3.3
215.17944	11.6
217.19594	17.1
222.39990	3.7
227.17950	3.6
229.19403	14.5
231.21072	12.0
243.21005	4.2
253.45207	3.3
257.22696	6.4
259.24438	4.2
271.24323	5.1
285.25763	3.3
297.25726	3.6
299.26981	3.7
407.36908	15.1
425.38113	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05513	17.2
57.07067	8.2
67.05514	32.2
69.07073	35.6
75.05143	3.1
79.05496	10.3
81.07066	68.1
83.08625	10.0
86.09696	12.8
91.05466	15.8
93.07050	36.8
95.08617	94.7
97.10172	8.4
98.20726	9.1
105.07039	25.7
107.08608	56.8
109.10169	77.3
111.08069	4.8
111.11747	7.2
119.08592	31.5
121.10163	52.6
123.08070	3.7
123.11711	38.2
131.08585	8.4
132.19255	3.2
133.10152	29.4
135.11703	39.2
137.13280	25.0
139.91817	3.7
141.51775	3.0
145.10150	17.8
147.11722	25.9
149.13274	35.5
156.02795	3.4
157.51347	3.4
159.11728	18.0
161.13246	17.5
163.14847	21.9
168.06194	3.6
173.13303	15.8
175.14778	15.8
177.16400	22.5
179.17995	4.3
187.14842	11.8
189.16397	17.0
191.17989	13.2
199.14917	5.9
201.16414	9.5
203.17944	8.9
205.19579	12.7
207.17474	6.4
215.17944	7.7
217.19588	14.6
219.21048	4.5
229.19566	11.8
231.21178	11.3
233.18999	3.9
243.21187	10.9
245.22667	14.1
247.20673	3.4
255.21071	4.3
257.22656	10.4
259.24176	9.5
261.22162	5.6
269.22684	10.6
270.43372	3.6
271.24255	10.9
275.33640	3.2
285.25800	9.4
311.27338	7.3
329.28381	10.1
367.33563	4.2
381.47607	3.3
407.36902	30.6
425.37955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Nervisterol
Peak:m/z	Relative Intensity
51.18873	3.3
53.03953	4.5
55.05519	20.2
57.07078	8.4
61.10358	2.7
67.05504	30.0
68.74850	2.9
69.07069	48.0
69.55750	21.1
71.04985	6.7
79.05499	18.5
81.07059	100.0
83.08626	18.8
89.06061	3.7
91.05485	21.5
93.07040	46.7
95.04927	3.6
95.08612	97.1
95.09231	4.7
96.13858	2.8
97.06519	3.1
97.10167	9.5
98.20758	5.4
99.08071	3.7
105.07033	36.1
107.08601	73.0
107.51335	2.6
109.10165	88.1
111.11751	8.6
119.08595	46.5
121.10148	54.6
123.08043	3.0
123.11703	36.9
125.13348	4.7
127.11186	14.3
131.08578	11.6
133.10138	35.4
135.11685	49.6
137.02248	3.5
137.13292	22.8
143.08623	3.4
145.10094	24.9
147.11693	32.4
149.13269	38.4
151.14867	4.7
151.83386	2.9
153.12671	3.2
157.10149	4.9
159.11702	22.8
161.13242	27.1
163.14822	20.1
173.13260	20.2
175.14836	26.7
177.16396	21.2
187.14781	14.5
189.16290	15.7
191.17909	20.3
195.17484	8.9
199.14969	3.5
201.16359	11.2
203.17984	17.2
207.17384	4.4
213.16362	4.9
215.17978	17.8
217.19574	19.9
227.17928	7.5
229.19499	16.0
231.21094	18.7
233.19044	4.2
243.21095	4.5
245.22679	3.9
255.20950	4.1
257.22604	8.2
259.24216	6.7
283.24161	3.9
285.25803	7.4
301.25204	3.8
407.36801	17.1
425.21747	4.1
425.38025	88.6
426.38232	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05509	19.6
57.03056	2.6
57.07065	6.9
67.05508	35.9
69.07066	36.8
70.84862	4.1
70.85204	6.3
71.04992	4.9
72.68867	2.6
73.09162	2.6
75.81982	2.4
77.75264	2.5
79.05492	20.6
81.07061	71.3
82.57222	2.7
83.08618	16.7
91.05463	16.0
93.07049	54.1
95.08607	100.0
97.06548	6.3
97.10176	8.9
98.20786	2.6
105.07045	34.5
107.08597	78.1
109.10156	65.7
111.08083	3.4
111.11752	4.8
117.07012	3.4
119.08583	50.6
121.10153	65.7
123.11710	42.1
125.09678	3.2
127.11210	9.3
131.08580	10.0
133.10144	34.6
135.11690	54.7
135.43146	2.7
137.13257	20.9
141.09424	2.7
141.12733	2.6
143.08632	3.6
145.10104	19.2
147.11682	33.6
149.13287	31.1
151.14891	5.9
153.12746	5.6
159.11717	25.3
161.13229	24.8
163.14812	18.9
163.83192	3.0
167.14394	3.0
171.11705	2.8
173.13309	13.9
175.14832	18.8
177.16408	22.2
185.13351	3.3
187.14824	20.9
189.16386	22.6
191.17952	24.0
195.17552	7.0
199.14873	3.8
201.16379	13.4
203.17960	15.0
213.16370	4.1
215.18004	13.6
217.19530	23.6
219.10718	2.7
227.18120	2.9
229.19565	10.4
231.21121	15.6
241.19641	3.4
243.21074	4.4
255.20847	2.8
257.22708	8.8
271.24283	3.9
283.24210	5.2
285.25943	9.0
368.09354	3.1
407.36792	15.9
425.32144	4.6
425.37851	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.80824	2.9
53.03948	2.5
55.05503	7.2
55.82496	2.3
67.05501	22.0
69.07079	22.3
69.55605	3.9
69.56014	13.4
79.05505	6.8
81.07056	35.8
82.79124	2.5
83.08612	7.9
91.05484	6.1
93.07033	24.9
95.08605	64.4
97.06535	3.1
97.10173	5.0
105.07044	14.9
107.08591	39.3
109.10159	46.7
111.08077	2.7
111.11702	6.0
116.87453	2.0
119.08586	19.9
121.10148	31.6
123.11716	21.0
131.08575	3.7
133.10138	16.7
135.11699	22.2
137.13284	12.6
145.10143	5.7
147.11707	14.5
149.13275	10.3
151.14812	3.4
156.76071	2.4
159.11674	8.6
161.13310	10.4
163.14851	12.0
173.13254	8.4
175.14801	9.7
177.16397	9.2
183.37720	2.6
185.13237	2.4
187.14854	5.6
189.16393	9.9
191.17888	13.2
201.16344	5.1
202.69688	2.6
203.17995	7.3
205.19554	9.9
207.17393	5.7
215.17995	9.1
217.19518	9.1
230.45386	2.3
231.21158	2.9
233.18991	2.8
243.21045	4.0
245.22659	8.1
247.20609	12.1
257.22672	3.6
259.24335	3.3
271.24323	5.4
285.25922	3.7
407.36722	16.3
425.32101	5.2
425.37823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.05508	13.7
57.07085	12.2
65.25769	1.6
67.05508	28.5
69.06776	2.3
69.07080	26.4
69.53606	9.4
69.54017	3.7
71.08619	2.3
79.05507	13.7
81.07062	79.2
83.08633	14.9
85.10172	2.2
88.50697	2.2
89.06049	2.0
91.05483	13.4
93.07048	28.4
95.04982	3.9
95.08611	100.0
97.10143	5.9
104.13325	1.6
105.07039	22.4
107.08604	35.6
109.06509	4.3
109.08364	1.9
109.10165	47.7
111.07986	1.9
111.11679	3.6
115.79774	1.6
117.06992	3.9
119.08590	24.5
121.10155	27.9
123.11712	26.5
129.07004	3.7
131.08560	13.9
133.10130	27.9
135.08107	3.1
135.11696	23.6
137.09610	2.7
137.13258	40.9
142.07869	2.2
143.08548	8.2
145.10132	21.3
147.11694	17.6
149.09555	2.2
149.13263	16.6
151.14867	3.4
157.10132	7.7
158.10909	1.8
159.11690	14.8
161.13289	14.6
163.14835	8.5
169.02576	1.8
169.10118	2.1
171.11655	7.3
173.13242	10.5
175.11360	1.9
175.14873	9.2
177.12834	3.8
177.16373	6.6
185.13290	5.3
187.14897	10.0
189.16403	12.6
190.36400	1.8
191.17953	12.9
193.15977	2.3
197.13350	2.5
199.14832	5.1
201.16444	10.3
203.17950	8.0
205.15810	2.9
205.19563	6.8
211.14828	2.2
213.16408	6.1
215.17961	9.6
217.19455	9.0
219.17526	4.8
219.20988	3.4
222.08932	2.0
227.17920	8.3
229.19502	7.5
231.17516	3.2
231.21149	2.8
233.19014	2.6
241.19530	2.2
245.18987	4.5
255.21034	5.2
257.22668	3.9
269.22586	4.0
271.24127	2.1
283.24097	4.1
313.27457	2.9
355.33511	2.1
365.19284	2.6
392.26999	1.8
407.37003	13.6
425.21851	15.3
425.33112	20.6
425.37915	19.9
431.02551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39986	0.1
55.01852	0.2
55.05495	0.3
58.06601	9.9
59.07385	7.4
65.43578	0.2
67.05491	0.5
69.03426	0.3
69.07069	0.2
70.06585	0.5
70.71215	0.3
70.71577	0.4
76.36163	0.2
79.05504	0.2
81.07048	0.6
81.18818	0.1
83.04979	0.2
83.08609	0.2
85.02899	0.2
91.05476	0.7
93.07048	0.3
95.04955	0.2
95.08605	0.5
97.02908	0.2
97.06540	0.2
97.34961	0.2
97.56297	0.2
98.97575	0.3
100.07627	0.9
105.06998	0.3
107.08553	0.3
109.02850	0.2
109.10176	0.4
116.07100	0.3
117.97878	0.2
118.08661	100.0
119.09015	0.5
125.09647	0.2
131.08554	0.2
133.10098	0.3
149.02394	0.4
165.09163	0.4
166.09494	0.3
193.05005	0.8
217.51714	0.2
223.59810	0.2
254.17567	0.7
264.16016	0.2
293.21094	0.3
356.21027	0.3
366.71317	0.2
373.44458	0.2
426.28592	46.7
427.28958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22195	1.1
55.05508	5.4
56.96562	1.3
57.07060	2.8
67.05517	6.4
69.07067	8.6
69.36783	11.2
70.06555	1.5
71.04998	2.0
71.08646	2.7
72.08154	5.0
79.05491	4.4
81.05805	1.3
81.07061	11.3
83.04985	1.9
83.08643	6.8
84.08146	2.5
86.06075	17.4
91.05465	2.2
93.07047	7.1
95.04972	1.3
95.08604	8.3
96.08129	5.2
97.06543	2.8
97.10182	2.0
98.06065	2.8
98.09702	11.1
98.20744	2.1
99.08095	1.5
105.07029	3.5
105.21260	1.3
107.08584	4.1
107.37273	1.3
108.08114	2.9
108.48071	1.3
109.10139	5.5
111.08041	2.7
114.09198	1.7
116.10742	53.3
117.06994	1.2
119.08590	4.0
121.10148	4.6
122.09660	3.5
123.08035	1.3
123.11706	2.4
124.07550	1.9
129.32910	1.5
131.08510	1.4
133.10147	3.7
143.10678	6.0
149.13266	4.4
154.68423	1.3
162.24361	1.2
173.78165	1.2
196.16937	1.6
214.18045	16.5
228.23392	1.5
239.16432	3.0
257.17548	3.7
292.22702	4.3
310.23798	19.3
328.24826	100.0
329.25208	3.2
346.53137	1.5
349.16599	2.8
426.26816	1.7
426.32156	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	427.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75957	0.5
55.05509	1.7
56.96563	1.1
58.06604	1.1
59.07373	0.8
64.15229	0.5
67.05516	3.6
67.23101	0.5
69.03415	1.0
69.07067	2.5
70.70487	0.8
70.70810	1.1
71.04987	0.8
72.64393	0.5
75.61913	0.5
79.05498	1.7
81.03416	1.5
81.07056	5.5
83.04984	0.9
83.08628	1.3
85.02916	1.3
85.46873	0.5
91.05480	2.3
92.64783	0.5
93.07037	3.0
95.04948	0.6
95.08610	3.2
98.97575	1.2
105.07048	2.6
107.04960	0.7
107.08604	2.6
109.02931	1.2
109.10150	3.3
117.07025	1.3
118.08656	10.7
119.08555	2.5
121.10174	1.9
123.11724	1.0
125.09618	0.9
131.08546	1.2
133.10155	1.4
135.08096	0.9
135.11662	1.1
137.09612	1.1
143.08559	0.6
145.10170	1.5
147.11731	0.8
149.09630	1.2
151.07558	1.9
157.10152	1.3
159.08383	0.7
159.11697	1.4
161.09677	0.8
161.13193	0.9
165.09113	11.0
173.13292	0.7
175.14856	0.9
185.13272	0.6
191.10791	0.6
191.18123	0.5
205.12248	1.4
255.21074	0.7
269.10718	0.8
289.04352	0.8
336.47812	0.6
367.17972	1.3
368.18387	0.7
386.69290	0.6
427.26715	100.0
428.30191	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	427.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05504	1.3
56.96570	0.7
57.07069	1.0
67.05505	3.0
69.03421	1.7
69.07064	2.3
71.60664	0.5
71.61048	1.2
75.47174	0.6
79.05496	2.3
81.03432	1.2
81.07066	4.6
83.04972	0.8
83.08633	1.0
85.02885	1.5
91.05503	2.8
93.07046	3.0
95.04975	0.7
95.08601	4.7
97.02863	0.7
98.97586	2.1
99.04444	0.8
105.07033	3.1
107.08620	3.1
109.02911	0.6
109.06532	0.6
109.10191	3.1
111.08186	0.6
116.98668	0.7
117.06983	0.9
118.08655	2.5
119.08578	1.5
121.06501	0.5
121.10129	2.1
123.08037	1.4
123.11685	1.5
127.03960	0.6
131.08572	1.4
133.10123	1.5
135.08096	1.3
135.11662	1.9
137.05965	0.8
137.09705	0.8
137.13252	0.7
143.08528	0.9
145.10106	1.6
147.11732	1.6
147.94672	0.5
149.09647	0.7
149.13243	0.7
151.07555	8.0
158.99658	0.8
161.09624	1.1
163.07480	0.7
165.09131	2.0
170.99750	0.5
171.11703	0.8
175.11247	1.2
175.14883	0.6
177.00787	0.5
177.05527	0.5
177.09154	1.5
187.11234	0.6
189.12700	0.8
191.10677	3.6
191.14281	0.6
203.10860	0.8
205.12267	1.0
207.68202	0.5
218.61473	0.6
219.01784	0.8
247.47334	0.6
346.18817	0.7
346.69382	0.6
409.31079	0.9
427.26718	100.0
428.26840	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	427.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37211	0.2
53.09394	0.2
54.60095	0.2
55.05515	1.2
56.05035	0.3
56.19360	0.2
57.05823	0.3
57.07077	0.6
67.05508	0.8
69.07069	8.3
69.93357	1.0
73.06546	1.8
79.05482	0.5
81.07059	0.9
82.78886	0.2
83.04982	0.6
83.08598	0.2
84.08159	0.5
85.06483	0.2
86.09708	100.0
87.10047	0.7
91.05482	0.5
93.07049	1.0
95.04990	0.2
95.08611	1.0
97.06542	0.3
98.20760	0.2
105.07038	0.9
107.08610	0.9
109.10163	0.9
112.07620	0.9
113.00071	0.3
118.08692	0.3
119.08588	0.6
121.10170	0.6
123.11723	0.3
127.32293	0.2
131.08583	0.4
133.10121	0.7
135.08122	0.2
135.11711	0.4
145.10115	0.5
147.11697	0.4
149.13283	0.4
151.07411	0.2
157.10083	0.2
159.11678	0.5
161.13235	0.4
168.13814	1.3
169.02623	0.4
173.13264	0.2
175.14777	0.2
186.14899	76.3
187.15202	0.9
189.16415	0.2
199.14668	0.3
205.12419	0.3
214.14388	28.6
215.14714	0.6
259.20599	0.4
299.23431	0.6
314.19614	10.6
327.22653	0.4
399.28537	5.1
409.31076	0.3
427.27606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.03429	1.0
57.07058	3.3
60.71509	0.8
67.05508	6.2
67.40693	0.7
69.03409	1.5
69.07067	8.2
69.29832	3.3
69.30267	4.9
71.08641	0.9
75.73301	0.8
79.05471	3.5
81.03407	1.1
81.07053	9.6
81.08986	0.7
82.07358	1.0
82.08932	0.9
83.08604	3.7
85.10180	0.9
86.04590	0.9
86.75156	1.0
89.85796	0.9
91.05456	3.5
93.07043	7.3
95.04943	2.3
95.08051	1.2
95.08607	16.1
97.10150	1.6
98.21521	1.8
105.07034	6.2
107.08601	12.1
109.10159	9.5
110.99683	0.8
111.11675	0.9
116.74652	0.7
119.08582	6.2
121.06519	1.6
121.10139	9.7
123.08134	1.0
123.11706	5.2
131.08556	2.4
133.06493	1.0
133.10129	7.8
135.08067	4.7
135.11693	8.6
137.09566	1.9
137.13243	3.8
137.85768	0.8
143.08612	2.2
145.10106	4.2
147.08054	1.2
147.11681	4.1
149.09645	1.2
149.13235	5.3
157.10103	3.5
159.11705	4.1
161.09596	3.7
161.13240	3.4
163.11185	1.3
163.14786	1.5
165.12788	0.9
169.10143	1.3
171.11658	2.9
173.09584	2.9
173.13254	3.2
175.11148	4.1
175.14761	2.6
177.12717	2.4
183.11667	1.9
185.13255	1.4
187.11195	7.9
187.14807	1.8
189.12711	1.0
189.16272	1.5
191.17979	2.4
201.12720	2.7
201.16359	1.8
203.14317	1.6
203.17888	0.9
205.15833	1.1
211.14774	1.5
211.93292	0.9
213.16309	1.4
215.17900	1.7
217.15820	1.2
225.16385	2.5
229.15794	1.0
231.17357	3.6
242.06467	0.9
243.17436	10.2
243.21143	1.3
255.20937	1.0
257.19049	1.3
259.20425	2.0
271.16794	1.8
273.22174	7.2
279.21057	1.0
289.18121	1.0
297.22150	1.3
301.14166	1.6
311.23645	2.5
325.25171	2.9
339.26709	3.3
340.27667	7.4
353.28210	3.3
363.30414	1.5
367.30005	1.2
381.31503	48.3
382.31766	2.3
391.35745	1.1
409.30878	3.8
427.31955	100.0
428.32373	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3208
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
55.01870	1.2
55.05500	2.8
57.07070	3.4
60.43491	0.6
65.03943	0.6
67.05500	5.8
69.03420	2.7
69.07070	5.8
69.79772	4.0
79.05489	2.5
81.07056	9.7
83.08603	3.0
89.06042	1.0
91.05472	3.5
93.07047	5.7
95.04966	2.3
95.08610	14.9
97.10177	1.8
98.21472	0.9
105.07031	4.3
107.08601	14.1
109.06516	1.3
109.10156	8.6
111.08075	1.8
111.11703	1.3
117.07059	1.0
119.04961	1.0
119.08578	7.4
121.06503	2.7
121.10156	8.2
123.08069	2.1
123.11728	4.4
125.09618	0.8
129.07037	0.8
131.08551	2.5
133.06487	3.2
133.10155	3.8
135.08058	5.1
135.11722	7.3
137.13277	4.2
139.07516	0.8
142.07736	1.1
143.08537	1.3
145.10136	3.9
147.08061	2.6
147.11702	3.6
148.08797	1.6
149.09557	1.6
149.13240	4.8
151.11147	0.7
157.10130	2.7
159.08127	0.8
159.11684	4.7
161.09647	7.0
161.13275	2.8
163.11118	1.0
163.14781	1.4
169.09981	0.8
171.11743	1.6
173.09659	4.1
173.13289	2.5
175.11189	8.8
175.14812	0.9
177.12770	2.6
177.16437	1.0
183.11742	2.4
185.13266	1.9
187.09497	1.1
187.11188	19.9
187.14822	1.8
189.12747	1.2
189.16464	1.7
191.17999	3.4
195.13829	0.8
197.13263	1.1
199.14682	0.8
201.12738	6.1
201.16280	1.0
202.13385	1.1
203.14291	2.2
203.18008	1.1
205.86011	0.8
211.14783	1.0
213.16457	0.8
215.14450	1.3
215.17998	1.1
217.15877	2.1
225.16455	1.7
229.15880	1.7
231.17459	3.5
241.19612	0.9
243.17430	8.8
257.19156	1.5
259.20563	2.1
271.16879	1.3
271.20578	1.2
285.22092	1.4
289.17975	3.7
293.02945	0.7
297.22275	1.3
307.24326	0.8
311.23798	4.9
311.27164	1.3
325.25186	6.9
339.26843	9.1
340.27637	23.0
353.28299	2.4
363.30469	0.8
369.20398	0.7
381.31525	40.7
382.31848	2.2
391.29858	1.3
409.30927	8.2
427.32074	100.0
428.32526	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05510	10.3
57.03444	2.1
57.07078	8.1
67.05511	22.2
69.03420	2.0
69.07068	16.9
69.43562	3.6
69.43987	8.0
71.08615	3.0
72.24001	1.1
79.05491	10.3
81.03387	4.5
81.07057	67.5
83.04974	3.0
83.08605	5.8
85.02920	1.9
85.06548	1.7
86.25149	1.5
87.04407	1.5
90.50307	1.4
91.05480	9.6
93.07044	14.8
95.08607	100.0
97.02896	4.2
97.10198	1.7
99.04443	2.8
101.05991	2.0
105.07014	13.6
107.08591	19.3
109.10160	26.6
111.08031	1.6
111.11688	1.9
117.06977	2.9
119.08569	11.2
121.10130	14.8
123.11716	20.2
127.03912	2.6
129.07004	2.3
131.08542	5.0
131.96890	1.4
133.10129	10.4
135.07976	1.5
135.11700	12.7
137.13254	73.1
142.07773	1.6
143.08556	3.9
145.10127	10.5
147.11656	5.5
149.09656	2.1
149.13275	8.5
151.14813	4.5
155.08598	1.5
157.10130	4.1
159.08046	1.6
159.11681	10.6
161.13260	4.6
163.11165	2.9
163.14838	4.0
165.09198	1.8
169.10216	2.2
171.11642	4.6
173.13268	6.2
175.14835	3.4
177.16350	3.6
181.85312	1.4
183.11656	2.6
185.13252	4.7
187.11205	4.9
187.14815	4.8
189.12805	2.7
189.16362	3.9
191.17961	3.3
193.19501	2.6
197.13144	2.9
199.14764	3.3
201.16345	3.2
203.14246	1.8
203.17914	2.1
205.15848	2.2
209.15340	1.8
211.14824	2.7
213.16397	3.5
217.19542	3.2
219.10234	1.7
225.16486	2.3
233.15288	1.7
237.11142	1.8
239.17932	1.5
241.19449	5.0
247.16988	2.0
253.19487	2.7
255.21227	1.9
259.20599	7.9
271.20380	1.6
275.20032	2.7
277.21542	3.3
287.16245	2.9
299.32217	1.5
321.95367	1.4
359.22272	7.8
391.33691	3.3
409.34836	3.4
427.28299	5.7
427.36429	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99298	4.9
55.05508	16.0
56.46885	5.3
56.88050	4.2
57.07078	11.4
67.05497	26.7
69.07077	32.3
69.63715	4.5
71.04985	6.0
71.08607	6.0
71.59953	8.0
79.05494	11.4
81.07065	58.9
83.08620	19.3
85.06569	24.3
91.05502	10.5
93.07053	32.6
95.08614	100.0
97.10164	9.8
99.08071	5.2
102.22452	4.9
105.07053	24.5
107.08591	60.0
109.06519	5.1
109.10168	71.5
111.08060	8.0
113.09669	6.1
119.08578	36.8
121.10154	52.6
123.11733	22.2
127.11200	15.8
131.08562	8.2
132.11183	4.0
133.10132	36.0
135.11716	32.6
137.13287	14.7
145.10132	15.9
147.11716	22.2
149.13231	19.7
153.12628	5.0
157.10120	6.7
159.11740	20.1
161.13263	20.7
163.14854	16.1
165.09134	8.0
173.13307	11.1
175.14857	11.6
177.16402	37.0
187.14835	8.8
191.17950	22.6
193.15918	6.2
197.26390	5.1
201.16379	11.3
203.17970	17.9
205.15976	5.0
215.17894	7.7
217.19460	13.7
217.26741	5.6
227.18022	5.8
229.19478	4.9
231.21130	5.7
233.18835	5.3
259.20728	6.3
285.22134	5.8
299.23596	6.8
409.34665	29.3
427.30957	7.0
427.35742	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	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05531	0.5
56.96548	0.4
57.03432	0.7
64.84444	0.3
67.05526	0.3
69.03431	1.1
69.07068	0.4
70.06603	1.8
71.61035	0.4
72.08157	6.1
72.08531	0.6
73.02921	0.5
79.05474	0.6
80.05032	0.3
81.03418	0.7
81.07050	0.5
83.04995	0.6
84.04529	0.6
84.08128	0.7
85.02922	1.9
86.09722	0.5
89.03916	3.9
90.09200	0.4
91.05492	0.7
93.07050	0.4
97.02882	0.5
98.97593	1.2
99.04481	0.4
100.47800	0.3
101.02388	0.5
106.04189	0.4
109.02859	0.4
116.98675	0.4
117.03381	13.2
119.04948	0.5
123.04439	0.3
124.07604	0.6
127.03952	1.0
128.98621	0.3
134.03656	0.8
134.05997	0.6
135.04404	0.9
136.07568	0.5
137.05978	0.4
145.02850	44.0
146.03191	0.5
146.06131	0.3
147.04411	0.5
149.05983	5.1
157.03522	0.3
163.03909	0.8
172.57790	0.3
175.06039	0.7
177.05472	100.0
178.05856	1.9
179.03371	1.2
180.03711	0.8
180.10213	0.5
181.04988	0.6
182.05295	0.5
195.01083	1.0
200.10304	0.4
207.06641	0.4
217.06940	0.4
237.02516	0.4
266.13824	3.5
272.13150	0.3
290.13376	0.4
339.10834	0.7
359.03033	0.4
381.13187	0.3
428.14713	2.0
428.19470	4.9
429.21344	1.7
444.91934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03266	0.5
61.02914	0.7
63.02428	0.6
69.03439	0.6
70.06586	1.2
70.84081	1.2
70.84438	1.3
72.08162	9.3
76.56658	0.7
81.03426	0.8
85.02933	3.3
86.09695	0.8
87.00809	0.6
89.03902	2.1
90.09197	2.6
92.23064	0.6
97.02878	1.9
98.97553	1.5
102.24283	0.6
117.03387	12.1
121.18980	0.7
123.04448	1.2
127.03935	0.9
132.51985	0.7
134.03531	0.8
135.04538	0.6
145.02846	43.2
149.06001	4.6
176.30219	0.7
177.05478	100.0
178.05838	1.8
179.03355	5.1
180.03775	4.7
251.56528	2.4
260.57178	1.3
266.13879	21.8
271.12665	0.7
428.14435	0.9
428.20062	0.8
429.21362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66540	0.5
61.02930	1.1
61.87031	0.6
64.97617	0.5
68.84505	0.5
69.03419	2.3
70.71234	1.5
72.08155	12.7
73.02914	0.9
79.05447	0.8
81.03432	0.5
85.02918	4.6
89.03918	1.9
90.09169	0.6
97.02895	2.6
105.07016	2.1
109.02839	0.6
115.03938	0.6
117.03386	11.5
124.07579	1.3
134.06026	1.9
145.02850	44.2
146.03120	0.6
149.05983	4.5
158.06013	1.1
161.62993	0.7
177.05478	100.0
178.05701	0.9
200.07133	0.8
266.10306	6.3
266.13882	24.4
267.14450	0.5
380.08008	0.7
413.09543	0.6
428.22916	1.5
429.20840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29108	4.7
53.83288	5.5
56.72749	5.8
56.96582	6.2
57.03428	20.8
61.02884	5.1
64.71970	4.3
66.53996	5.1
67.05487	6.5
69.03423	20.7
69.61549	34.9
70.06586	13.4
71.01402	4.7
71.82270	4.8
72.08147	5.1
73.02921	5.7
79.05480	7.7
80.67608	5.0
83.04999	27.3
85.02912	61.4
89.03918	7.0
91.05836	5.7
95.04942	5.3
97.02888	14.1
97.06525	14.8
98.97570	8.2
101.06008	11.0
107.52916	5.1
111.04453	55.9
117.03379	8.3
119.04929	9.3
121.02834	7.8
121.06453	6.5
125.06030	27.0
127.03904	12.2
128.98628	7.8
129.05455	19.5
135.04413	6.9
136.06139	12.5
143.07036	23.1
145.02835	18.8
145.04976	10.6
147.04333	5.5
149.05989	11.9
152.07201	4.9
159.06593	24.2
159.08394	9.8
163.03920	36.1
167.05809	5.4
167.07040	33.6
177.00754	8.4
177.05484	23.4
178.05762	5.8
178.38803	5.1
185.08101	21.1
196.27165	5.2
199.09618	23.4
202.86795	5.0
217.10704	100.0
219.01651	6.9
237.02878	8.5
239.94028	4.8
249.13417	27.7
266.14236	7.4
367.30856	4.9
429.13644	6.4
429.21106	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	428.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
55.32038	0.1
56.96556	0.2
58.06602	6.5
58.67095	0.1
59.07384	4.6
60.43775	0.1
67.05500	0.3
69.03418	0.3
69.61298	0.7
70.06586	0.2
71.37901	0.1
79.05491	0.3
81.03411	0.2
81.07054	0.4
85.02893	0.3
86.09676	0.2
91.05486	0.4
93.07053	0.2
94.68696	0.1
95.04948	0.1
95.08614	0.3
97.06552	0.1
98.97596	0.2
105.07020	0.3
107.04918	0.1
107.08597	0.3
109.02895	0.2
109.10148	0.2
116.98679	0.1
118.08660	100.0
119.09098	0.5
123.07947	0.1
127.03905	0.1
133.10133	0.2
143.08638	0.1
145.02835	0.1
145.10124	0.2
147.04431	0.1
151.07599	0.3
173.20334	0.1
214.67645	0.1
223.43164	0.1
236.38840	0.1
242.35539	0.1
410.15189	0.5
428.16998	0.1
428.30121	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	428.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31142	0.2
52.69215	0.2
55.01883	0.2
55.05489	0.3
56.96568	0.4
57.03429	0.3
58.06603	11.8
59.07385	10.0
67.05486	1.0
69.03429	0.6
69.07059	0.6
70.06582	0.5
71.04971	0.3
71.59600	0.4
72.08174	0.3
79.05477	0.6
81.03389	0.5
81.07048	0.9
83.04967	0.3
83.08613	0.5
85.02927	0.5
87.04460	0.3
89.23652	0.2
91.05466	0.9
93.07048	0.8
95.04940	0.4
95.08603	1.0
97.06527	0.3
98.45251	0.2
98.97572	0.5
100.07629	1.2
105.07024	0.7
106.07362	0.2
109.02879	0.9
109.10143	0.5
110.97573	0.3
118.08662	100.0
119.08606	0.5
121.10146	0.4
124.07607	0.3
127.03977	0.4
133.10124	0.4
135.11685	0.4
137.06001	0.5
147.04451	0.4
147.11766	0.3
151.07599	0.4
158.99721	0.3
159.11745	0.3
165.09067	0.5
166.09549	0.3
177.05640	0.3
215.07077	0.4
304.72412	0.3
321.05856	1.0
336.84143	0.3
339.12231	0.4
428.30292	51.9
429.30444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39684	6.6
55.05527	11.7
55.14135	7.8
60.64220	8.6
67.05503	15.7
69.03392	9.1
69.07068	18.5
71.30117	7.9
71.60350	8.4
79.05507	15.8
81.07053	16.6
91.05489	21.5
93.07066	19.8
95.08610	18.7
105.07048	12.9
105.46593	7.2
107.08618	15.9
109.10146	13.1
112.07616	47.3
119.08633	9.0
121.10133	9.3
131.08556	7.2
133.10155	15.7
149.02292	11.3
150.05298	38.0
157.10193	8.7
213.60640	8.1
279.94745	8.3
291.19733	20.4
368.86462	8.1
410.89880	7.9
428.24008	100.0
428.28732	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	429.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.1
57.03436	0.8
69.03435	1.5
69.20337	0.7
69.88198	3.2
70.06588	0.7
73.04755	1.4
77.97832	0.6
84.08139	1.2
85.02901	2.4
87.79072	0.6
89.03937	0.6
91.05823	1.2
96.75309	0.6
97.02914	1.1
98.97579	4.0
110.97606	0.9
116.98612	1.4
119.01927	0.8
121.02855	0.6
128.98553	0.9
135.04405	0.8
136.06221	1.1
143.00252	0.8
149.05974	0.7
150.05515	5.8
158.99667	1.6
160.07597	6.9
163.03978	3.3
167.05611	0.8
167.07025	1.3
177.00771	0.9
177.10284	0.9
225.31032	0.6
226.05977	0.7
227.06787	0.7
237.02859	1.7
244.04437	1.3
267.00351	1.0
267.09787	0.9
273.02750	0.9
329.59732	0.7
359.02899	1.3
383.02682	0.7
411.12650	5.4
429.13724	100.0
430.14099	2.4
444.35040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
56.96553	0.7
65.68761	0.5
67.05495	1.6
69.03429	0.5
69.92158	2.5
70.06583	0.5
73.02924	0.6
73.04743	0.8
84.08141	0.6
85.02899	1.1
91.05820	1.1
94.06564	6.0
97.02894	0.7
98.20818	0.8
98.97583	2.3
100.03960	0.9
101.00884	0.7
106.06550	2.4
107.04977	0.6
116.98647	0.9
118.05006	0.8
119.01945	0.9
121.56573	0.5
122.06023	5.5
131.01920	0.8
137.06020	1.0
143.01917	1.2
147.04453	0.6
150.05515	100.0
151.05887	0.9
155.01889	0.7
158.99698	0.9
160.07550	0.6
163.03931	1.7
167.05673	0.8
167.07042	1.5
168.06580	1.5
175.73361	0.5
177.00735	0.8
177.05479	0.9
203.05385	3.2
206.07855	0.5
211.04596	0.6
219.01793	0.6
221.05119	1.3
237.02744	0.5
241.06572	0.5
244.04367	1.4
245.05078	0.8
249.06146	0.7
267.07355	0.8
267.09787	19.2
291.00293	0.6
309.08475	0.8
351.09201	1.6
359.02768	0.5
369.10306	0.7
403.27646	0.6
411.11792	0.9
429.13712	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	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01862	8.9
55.05515	21.2
57.03439	32.8
61.02927	42.2
67.05511	35.4
69.03436	26.5
69.07072	9.8
70.76798	3.3
70.77127	5.5
71.01349	6.4
71.04997	6.2
71.45054	2.2
73.02919	20.4
75.04493	2.8
79.05495	41.9
81.03424	100.0
81.07056	33.6
83.04977	10.8
83.08619	18.3
85.02911	51.0
87.04473	4.5
91.03963	25.6
91.05474	35.4
93.07051	26.0
94.03027	2.9
95.01328	4.9
95.04972	99.7
95.08624	12.4
97.02903	37.8
97.06519	4.9
97.10170	9.6
98.97610	4.8
99.04477	10.8
101.02379	6.2
103.03915	12.3
105.07047	27.9
107.04966	24.7
107.08594	15.9
109.02868	24.7
109.06524	9.6
109.10173	8.7
111.04444	5.9
111.08092	9.1
115.03959	3.9
115.05515	3.5
117.07008	11.9
119.04939	5.5
119.08591	23.1
121.02886	3.3
121.06488	14.3
121.10160	11.3
123.04427	45.5
123.08083	6.1
125.06037	3.0
125.09638	5.2
127.03927	18.0
128.06146	3.0
129.05463	3.2
129.07001	15.4
130.06522	2.3
131.04950	4.9
131.08589	16.3
133.06488	7.7
133.10135	10.8
135.04404	4.0
135.08047	3.5
135.11697	8.2
137.02338	3.7
137.05997	8.6
139.03920	3.5
141.06973	3.4
143.08556	5.8
145.06523	6.8
145.10112	13.3
147.04405	18.7
147.08067	13.7
147.11665	14.7
149.05965	7.7
149.09641	13.0
153.09093	2.7
157.10126	12.9
159.08154	3.4
159.11697	4.1
161.05997	5.1
161.09561	6.0
161.13216	3.1
163.11208	21.5
165.12837	4.1
171.08081	4.1
171.11768	8.0
173.09653	7.2
175.11205	12.8
189.05481	6.3
189.11208	5.3
189.12752	10.4
191.10674	5.5
193.12260	35.7
201.07640	3.6
203.10339	3.2
203.14291	2.7
205.12206	5.4
207.13853	8.4
211.13217	15.3
217.12228	11.1
223.13350	6.2
235.13306	69.5
249.14825	10.2
253.14346	4.7
255.13921	2.8
259.13315	14.0
261.15082	3.1
267.15924	37.2
273.14941	26.4
277.14426	8.1
283.13391	3.8
285.17017	3.9
289.14465	5.0
290.35977	3.0
301.14374	22.1
309.16959	37.9
313.16580	2.7
319.15344	9.4
337.16641	4.9
351.17984	5.1
357.16998	4.5
375.18088	17.5
393.19046	13.5
411.20111	8.4
429.15802	4.1
429.21375	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3367
Annotation	Gibberoketosterol C
Peak:m/z	Relative Intensity
50.01757	1.5
51.28524	1.8
51.65838	1.7
55.05511	11.0
57.07085	8.3
66.09358	1.6
67.05508	14.9
69.03442	1.8
69.07068	15.5
69.34129	4.0
69.34545	10.8
71.04996	5.3
71.08633	3.1
77.03881	1.6
79.05504	12.9
81.03415	7.2
81.07063	34.0
81.07513	3.0
83.08638	9.6
85.06549	28.6
91.05481	14.8
93.07056	30.7
95.04974	3.6
95.08616	50.5
97.06540	5.9
97.10194	5.4
102.70383	2.0
103.03956	1.5
103.05466	1.9
105.07040	27.0
107.04969	2.3
107.08605	50.2
109.06507	4.0
109.10163	25.3
111.08091	5.2
112.51794	1.8
113.00060	4.7
117.07055	2.6
119.08591	36.4
121.06519	6.1
121.10156	47.9
123.08086	6.8
123.11718	15.3
125.09648	4.0
129.06993	4.0
131.08563	10.4
133.10143	26.1
135.08058	5.6
135.11705	27.6
137.09630	4.2
137.13280	11.4
139.07584	3.0
142.07826	1.6
143.08551	3.9
145.10138	32.5
147.11703	21.5
149.09644	6.8
149.13266	27.7
151.11186	4.6
151.14848	5.9
153.09126	9.4
155.08534	2.8
157.10158	5.0
159.11723	19.2
161.13271	25.7
163.03928	4.8
163.11147	8.1
163.14815	15.9
166.22882	1.5
167.10672	5.6
169.02644	3.7
171.11723	6.2
172.12491	2.3
173.02417	2.2
173.13272	17.9
175.11169	3.2
175.14839	15.7
177.12761	4.5
177.16411	16.0
179.14383	2.4
181.12178	2.5
183.11714	3.5
185.13257	5.8
187.04074	4.0
187.14799	19.4
189.12787	2.1
189.16425	10.4
191.14383	8.3
191.17964	3.2
193.12267	2.7
193.15880	16.7
195.11836	2.4
197.13289	3.3
199.14841	6.2
201.12778	2.0
201.16402	25.5
202.16878	1.6
203.14346	13.1
203.16016	1.7
203.17990	10.4
205.15915	16.7
207.17661	2.0
209.15329	3.3
211.13309	2.7
213.16444	5.2
215.18027	4.6
217.15929	3.7
219.17503	11.7
221.19102	3.1
223.16939	3.4
227.18025	2.4
229.19524	3.5
231.17427	4.4
241.19527	3.1
241.95462	2.1
255.21118	2.2
261.22107	2.2
267.20947	2.0
269.22229	2.2
281.22769	2.0
295.23825	1.7
299.23914	2.7
315.23236	2.9
317.18015	1.9
317.24869	2.0
327.26987	2.5
337.25156	3.8
351.30490	7.5
355.26260	2.0
369.31567	22.4
375.30521	5.5
383.33038	2.8
393.31586	33.1
410.72372	1.9
411.32672	100.0
429.18854	17.4
429.33572	30.5
430.79037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05506	2.8
57.06823	1.0
57.07080	15.8
67.05513	6.9
67.84263	0.7
68.65300	0.6
69.07075	5.2
71.08638	11.3
71.20535	1.7
71.76235	0.8
72.93608	0.6
79.05508	2.1
81.07052	7.2
83.04974	0.8
83.08610	2.4
85.10176	6.4
91.05473	2.5
93.07043	2.7
95.08601	6.3
97.10172	1.6
105.07034	3.7
107.08598	6.2
109.06544	1.5
109.10168	6.3
111.04446	1.3
111.11689	0.9
119.08573	4.9
121.06558	0.9
121.10181	3.9
122.07274	1.2
123.08065	0.8
123.11712	1.2
131.08572	1.8
133.10127	2.3
135.08076	5.5
135.11734	1.6
137.09622	11.8
139.07547	1.5
145.10143	3.0
149.09625	16.0
151.07555	1.4
159.08032	1.2
159.11703	2.9
161.09534	1.1
162.06796	1.3
163.11188	19.4
165.09123	100.0
166.09474	1.4
173.09630	2.1
173.13301	1.9
174.10495	1.1
175.11188	6.1
176.08298	1.8
177.09123	11.0
177.12773	1.9
177.93483	0.7
179.10698	1.5
186.10423	1.7
187.11172	3.2
189.09100	1.0
189.12654	1.8
191.10672	11.2
201.12755	2.6
203.10721	2.4
203.14345	1.2
204.11568	0.9
205.12262	11.5
215.14275	2.0
219.13805	4.7
233.15399	2.2
247.16959	1.3
275.20163	0.8
289.21677	1.4
303.22849	1.3
317.24957	1.0
331.26376	1.8
359.29013	1.0
373.31009	1.4
401.34079	2.2
411.36273	2.5
429.37280	38.2
429.43152	1.8
430.37759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.1
54.08241	0.9
55.01874	12.0
57.03443	7.2
60.04515	1.0
61.02927	6.8
67.05493	1.2
68.99800	5.2
69.03068	2.0
69.03434	37.1
69.07084	1.3
70.06587	1.4
70.18125	3.8
71.05008	6.2
73.02918	9.2
80.04964	1.1
81.03424	39.4
81.07022	1.0
83.04970	1.3
85.02911	100.0
86.76475	1.0
87.00837	41.2
87.04477	2.1
91.03960	3.5
91.05472	1.8
97.02899	43.5
98.06054	1.4
98.20843	1.4
99.04459	20.1
102.21664	1.1
105.01874	37.0
108.04487	9.7
109.02886	39.5
115.03925	1.3
117.01854	4.9
117.07011	1.3
126.05517	5.5
127.03924	85.0
129.01845	6.1
137.05983	3.6
145.04968	46.5
147.02921	4.9
159.02898	30.9
165.09119	2.6
177.03923	1.9
189.03990	2.2
189.09109	5.6
207.10278	1.3
213.03970	3.2
230.06598	3.0
231.05025	14.7
231.10161	3.1
248.07718	4.6
249.06055	1.4
255.10109	1.2
273.11121	2.8
289.60135	1.0
291.19434	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.1
69.03438	1.8
70.06596	3.7
70.38819	4.3
72.08141	1.4
73.04760	2.1
79.05499	1.4
81.03433	4.1
84.08138	2.5
85.02908	3.7
97.02911	1.8
98.97611	2.7
103.05471	6.0
120.08116	100.0
122.06038	2.6
131.04993	1.8
136.06192	58.3
137.05905	1.5
140.07076	2.5
147.04349	1.6
149.05978	2.1
158.99690	1.8
160.07640	1.4
163.03951	3.9
166.08644	43.9
219.01921	2.1
313.39246	1.5
402.95740	1.6
430.15024	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	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01871	1.3
55.05504	0.5
56.96581	0.6
57.03181	0.6
57.03439	9.7
57.07077	5.1
61.02925	2.9
63.04492	5.5
63.04795	0.8
67.05468	0.8
68.99801	1.1
69.03066	0.5
69.03437	7.9
69.43604	3.7
70.06583	1.5
71.01334	1.4
71.04967	0.6
72.08143	0.7
73.02923	18.9
79.05474	1.3
81.03440	2.6
81.07053	0.8
83.08598	0.4
84.04507	0.4
84.08126	0.9
85.02416	0.8
85.02908	15.1
85.90576	0.4
86.06060	0.5
86.09724	2.8
87.04456	1.5
89.03893	0.7
91.05470	1.9
93.07056	0.8
95.04964	2.2
97.02902	13.8
97.06532	0.6
98.97603	1.1
99.04472	1.0
103.03955	0.7
105.07037	0.9
107.04970	1.5
109.02898	2.6
109.12033	0.4
111.04407	0.5
115.03949	11.8
119.04963	1.0
119.10703	29.3
121.02865	0.9
121.06453	0.7
123.00843	0.8
123.04395	1.3
123.40495	0.5
127.03911	4.5
131.04985	0.6
133.04958	3.9
134.73448	0.5
135.04428	4.1
137.02351	7.2
141.01749	1.3
145.02913	0.7
145.04988	4.2
147.04395	1.8
148.12122	0.6
149.02480	0.6
149.48293	0.4
151.03911	0.6
159.04456	0.8
161.02370	3.1
163.03935	4.7
163.06036	0.9
165.01854	16.6
167.03418	0.6
170.02040	0.5
175.03900	0.9
175.79575	0.5
177.01921	0.7
177.05458	1.6
179.03416	1.8
181.04971	2.3
182.08253	0.6
183.02925	5.7
187.03871	1.6
189.01900	0.8
191.03467	2.8
195.06668	0.6
203.03429	1.3
205.04953	1.2
207.02861	0.8
215.03459	1.3
217.01227	0.5
223.06081	1.3
233.04555	0.7
235.13571	0.5
236.13531	0.8
241.07132	0.9
243.02899	1.6
245.04308	0.7
249.75809	0.5
268.07047	0.5
279.06360	0.6
281.15933	0.6
283.05948	2.7
286.04745	1.2
287.05463	5.3
295.06046	2.3
297.07614	10.6
299.05518	100.0
300.06091	0.8
307.05826	0.7
309.07538	1.2
310.04587	0.8
310.17355	0.7
311.05505	7.6
311.09213	2.8
313.03775	0.9
313.07028	3.5
317.12146	0.6
321.07773	3.1
323.05490	2.7
324.06332	2.3
325.03662	1.8
325.07074	34.4
327.05066	1.1
329.06464	3.3
336.06342	0.7
337.07138	3.2
339.04944	0.6
339.08612	14.4
339.12711	0.9
341.06516	0.6
349.07040	4.9
351.04886	0.6
353.06586	44.0
355.02319	0.5
365.06567	11.3
365.10800	0.9
367.08124	3.3
371.07474	0.5
377.06577	11.8
383.07651	18.9
383.12653	1.0
395.07648	20.5
413.08661	19.2
430.21014	4.1
431.09753	13.7
431.22385	0.9
434.25504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01871	1.3
55.05504	0.5
56.96581	0.6
57.03181	0.6
57.03439	9.7
57.07077	5.1
61.02925	2.9
63.04492	5.5
63.04795	0.8
67.05468	0.8
68.99801	1.1
69.03066	0.5
69.03437	7.9
69.43604	3.7
70.06583	1.5
71.01334	1.4
71.04967	0.6
72.08143	0.7
73.02923	18.9
79.05474	1.3
81.03440	2.6
81.07053	0.8
83.08598	0.4
84.04507	0.4
84.08126	0.9
85.02416	0.8
85.02908	15.1
85.90576	0.4
86.06060	0.5
86.09724	2.8
87.04456	1.5
89.03893	0.7
91.05470	1.9
93.07056	0.8
95.04964	2.2
97.02902	13.8
97.06532	0.6
98.97603	1.1
99.04472	1.0
103.03955	0.7
105.07037	0.9
107.04970	1.5
109.02898	2.6
109.12033	0.4
111.04407	0.5
115.03949	11.8
119.04963	1.0
119.10703	29.3
121.02865	0.9
121.06453	0.7
123.00843	0.8
123.04395	1.3
123.40495	0.5
127.03911	4.5
131.04985	0.6
133.04958	3.9
134.73448	0.5
135.04428	4.1
137.02351	7.2
141.01749	1.3
145.02913	0.7
145.04988	4.2
147.04395	1.8
148.12122	0.6
149.02480	0.6
149.48293	0.4
151.03911	0.6
159.04456	0.8
161.02370	3.1
163.03935	4.7
163.06036	0.9
165.01854	16.6
167.03418	0.6
170.02040	0.5
175.03900	0.9
175.79575	0.5
177.01921	0.7
177.05458	1.6
179.03416	1.8
181.04971	2.3
182.08253	0.6
183.02925	5.7
187.03871	1.6
189.01900	0.8
191.03467	2.8
195.06668	0.6
203.03429	1.3
205.04953	1.2
207.02861	0.8
215.03459	1.3
217.01227	0.5
223.06081	1.3
233.04555	0.7
235.13571	0.5
236.13531	0.8
241.07132	0.9
243.02899	1.6
245.04308	0.7
249.75809	0.5
268.07047	0.5
279.06360	0.6
281.15933	0.6
283.05948	2.7
286.04745	1.2
287.05463	5.3
295.06046	2.3
297.07614	10.6
299.05518	100.0
300.06091	0.8
307.05826	0.7
309.07538	1.2
310.04587	0.8
310.17355	0.7
311.05505	7.6
311.09213	2.8
313.03775	0.9
313.07028	3.5
317.12146	0.6
321.07773	3.1
323.05490	2.7
324.06332	2.3
325.03662	1.8
325.07074	34.4
327.05066	1.1
329.06464	3.3
336.06342	0.7
337.07138	3.2
339.04944	0.6
339.08612	14.4
339.12711	0.9
341.06516	0.6
349.07040	4.9
351.04886	0.6
353.06586	44.0
355.02319	0.5
365.06567	11.3
365.10800	0.9
367.08124	3.3
371.07474	0.5
377.06577	11.8
383.07651	18.9
383.12653	1.0
395.07648	20.5
413.08661	19.2
430.21014	4.1
431.09753	13.7
431.22385	0.9
434.25504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35067	1.2
60.07549	1.1
71.13749	3.2
88.08939	1.2
94.93015	2.5
156.04204	2.5
163.03883	1.4
188.93547	3.6
206.94568	2.9
250.93605	5.8
250.97234	2.2
256.96127	8.0
268.98285	4.8
298.97263	3.8
431.01447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0972
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.03930	0.3
55.01852	0.8
57.03407	0.6
61.02904	0.2
65.31023	0.2
67.05486	0.4
68.99794	1.2
69.03421	0.4
70.06568	0.4
71.04745	0.4
79.01820	0.2
79.05457	0.4
80.04983	0.2
81.03414	1.0
85.02898	1.6
86.09708	0.4
89.03931	0.3
91.05477	1.4
93.03365	0.4
95.05003	1.0
95.08555	0.3
97.02866	0.8
98.22965	0.2
105.04558	0.3
105.06950	0.2
107.04915	0.8
109.02882	1.0
119.04904	0.6
121.02869	1.5
123.00805	0.9
127.03817	0.2
131.04884	0.6
135.04410	3.7
137.01332	0.4
137.02348	6.6
137.03363	0.3
141.01817	2.0
145.02795	0.6
147.04405	1.2
149.02310	0.7
149.05925	0.2
153.01836	0.4
159.04417	0.8
161.02336	2.9
163.00247	0.2
163.03894	4.6
165.01837	19.1
167.03384	0.8
169.02802	0.3
171.04390	0.2
173.02327	0.3
175.03865	0.6
177.01826	0.6
177.05438	0.6
178.99683	0.2
179.03410	1.4
181.04929	1.4
183.02895	4.4
187.03920	2.0
189.01778	1.0
190.02646	0.4
190.99704	0.4
191.03398	2.5
199.03798	0.3
203.03377	1.7
205.04999	1.0
206.05034	0.2
207.02798	0.4
209.04425	0.3
215.03400	1.0
221.04463	0.2
229.04811	0.3
231.02957	0.4
233.04410	0.6
243.02916	1.1
245.04404	0.5
247.02469	0.3
255.06580	0.5
258.05255	0.4
261.03842	0.4
263.05206	0.2
268.29987	0.2
269.08112	0.4
271.06030	0.4
275.07147	0.3
279.06506	0.3
283.06009	2.9
286.04691	1.1
287.05475	6.1
289.03378	0.4
293.08151	0.4
295.06036	2.7
296.06647	0.5
297.04337	0.4
297.07571	11.4
298.07693	0.3
299.05499	100.0
300.05945	3.3
307.06119	0.6
309.07599	0.9
310.04678	0.8
311.05472	8.6
311.09158	2.8
312.06070	0.3
313.03381	0.8
313.07062	3.5
321.07587	2.9
323.05563	3.1
324.06302	2.9
325.03622	1.9
325.07047	32.3
326.07370	1.0
327.05038	1.0
329.06564	2.5
336.06223	0.4
337.07068	3.0
339.05200	0.8
339.08630	15.0
340.08914	0.5
341.06528	0.7
349.03046	0.3
349.07074	4.0
351.04932	0.9
351.08920	0.3
353.06567	45.3
354.06900	1.6
365.06570	12.0
366.06799	0.3
367.08087	3.4
371.07632	0.4
377.06543	11.2
383.07614	18.3
384.07962	0.5
395.07626	20.3
396.07809	0.7
413.08673	17.9
414.08987	0.7
431.09741	12.7
431.22473	1.9
432.10419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.5
69.41769	1.3
69.42178	2.5
77.03919	1.2
89.03936	1.1
91.05479	28.7
97.06538	0.6
105.03358	0.5
119.04947	34.5
120.40025	0.5
123.31243	0.5
129.03363	0.9
132.02094	2.4
134.55710	0.5
135.04456	1.0
136.03963	1.5
145.02838	1.2
147.04419	30.3
149.02310	1.6
157.03954	4.6
162.05495	2.0
164.04723	0.9
175.03909	55.8
176.04285	0.9
179.06876	2.8
179.08360	0.8
186.69180	0.5
190.04958	0.6
192.04158	0.7
207.06531	100.0
208.06250	0.8
280.92966	0.5
299.05496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01864	6.0
55.05511	12.3
57.03442	17.3
61.02929	27.4
67.05502	39.4
69.03436	19.5
69.07072	9.9
70.06583	5.2
71.01350	3.1
71.04996	7.2
71.60990	5.7
72.08156	5.1
73.02908	21.0
79.05502	26.4
81.03427	26.0
81.07059	54.5
81.07511	4.2
83.04970	18.3
83.08621	11.9
84.04526	2.9
84.08147	5.3
85.02914	42.5
85.06546	6.3
86.09717	21.4
88.27457	2.8
91.03968	15.5
91.05498	27.0
93.07048	35.0
95.04989	8.5
95.08621	15.8
97.02905	30.4
97.06528	8.2
98.06088	3.6
98.97593	7.6
99.04463	8.1
101.02390	4.7
103.03972	5.2
105.07027	13.3
106.89481	2.6
107.04939	6.9
107.08575	17.5
109.02914	12.3
109.06545	4.8
109.10143	3.1
111.04431	4.6
111.08072	3.6
111.48402	2.6
115.05423	3.3
115.08688	5.7
117.07040	8.8
119.04955	5.3
119.08604	6.0
121.02862	4.3
121.06480	6.6
121.10165	11.3
123.08136	4.3
123.11705	5.8
124.07663	2.8
125.05994	3.4
127.03916	16.5
129.05478	7.8
131.08600	10.4
133.10147	16.2
135.04422	4.4
135.08043	4.2
135.11670	12.6
136.07567	8.2
137.02350	7.8
137.05943	5.2
138.09169	3.0
143.08603	2.6
145.04951	7.3
145.06537	3.2
147.04410	8.8
147.11746	3.5
148.57027	2.6
149.13232	23.4
151.11252	3.9
159.08038	3.9
159.11742	10.9
161.02423	2.7
163.03918	3.7
164.07056	7.9
165.01866	15.7
165.12837	4.2
171.11691	2.6
175.03905	7.7
177.12761	9.2
181.05022	10.0
183.02901	6.1
183.06523	3.8
191.77582	2.7
195.13828	28.7
207.06525	17.1
213.14821	7.4
238.38618	3.1
251.16562	3.5
264.04135	2.4
264.07874	2.9
269.08389	2.7
269.17511	49.0
287.05444	4.4
292.07227	3.1
297.07663	8.0
299.05518	100.0
300.05945	5.2
311.05505	10.7
322.08313	3.6
325.07077	23.0
329.06937	2.8
339.08704	13.2
353.06555	45.9
365.06577	7.9
377.06592	9.9
383.07785	13.3
395.07755	16.7
413.08682	19.2
413.21460	5.4
431.09875	21.0
431.18103	13.8
431.23056	37.8
449.12531	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	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01865	7.5
55.05508	14.9
57.03439	19.4
61.02631	4.5
61.02930	61.2
65.03918	3.2
67.05161	4.7
67.05508	76.3
69.03435	34.1
69.07066	24.9
70.76670	7.3
71.01362	3.7
71.04992	10.8
73.02920	27.1
79.05496	51.9
81.03424	29.7
81.07060	95.8
83.01359	3.1
83.04995	13.0
83.08633	19.3
85.02907	59.6
85.06540	8.3
87.04475	6.5
91.03959	26.2
91.05479	30.5
91.93073	2.3
93.07054	79.2
95.04986	6.6
95.08612	32.4
97.02898	50.7
97.06528	19.2
98.97583	6.2
99.04476	11.5
99.08091	5.4
101.02386	13.3
101.24210	2.3
101.73820	2.6
103.03966	4.6
104.34809	2.8
105.07037	15.2
107.04943	4.8
107.08602	41.9
109.02870	16.0
109.06521	5.2
109.10153	11.5
111.08084	11.1
113.06001	2.7
115.03909	5.3
117.06998	12.6
119.08589	10.1
121.02860	3.5
121.06566	5.1
121.10139	25.5
123.08048	3.5
123.11742	4.9
125.09633	3.1
127.03917	26.0
129.07057	2.6
131.08582	16.9
132.55325	2.5
133.10109	13.9
135.08057	3.7
135.11707	18.2
136.07610	3.9
137.05971	3.8
144.67590	3.0
145.04959	7.5
145.10106	5.4
147.04436	5.6
147.11702	7.7
149.09639	4.6
149.13264	72.5
151.07541	5.5
157.10054	4.0
159.11696	38.8
161.09633	3.3
164.06975	6.2
165.12794	3.8
167.07083	10.2
171.35281	2.8
175.03981	2.7
177.09102	2.7
177.12747	19.6
183.06535	7.0
193.04465	2.5
195.12143	2.3
195.13823	44.3
201.07567	5.4
206.17953	2.8
207.06573	5.8
213.14864	6.2
230.52335	2.6
250.10831	4.5
251.11189	4.6
269.17508	100.0
297.16937	4.4
299.05576	5.4
311.18515	5.5
413.21628	4.5
431.22934	10.8
431.28506	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01864	6.0
55.05511	12.3
57.03442	17.3
61.02929	27.4
67.05502	39.4
69.03436	19.5
69.07072	9.9
70.06583	5.2
71.01350	3.1
71.04996	7.2
71.60990	5.7
72.08156	5.1
73.02908	21.0
79.05502	26.4
81.03427	26.0
81.07059	54.5
81.07511	4.2
83.04970	18.3
83.08621	11.9
84.04526	2.9
84.08147	5.3
85.02914	42.5
85.06546	6.3
86.09717	21.4
88.27457	2.8
91.03968	15.5
91.05498	27.0
93.07048	35.0
95.04989	8.5
95.08621	15.8
97.02905	30.4
97.06528	8.2
98.06088	3.6
98.97593	7.6
99.04463	8.1
101.02390	4.7
103.03972	5.2
105.07027	13.3
106.89481	2.6
107.04939	6.9
107.08575	17.5
109.02914	12.3
109.06545	4.8
109.10143	3.1
111.04431	4.6
111.08072	3.6
111.48402	2.6
115.05423	3.3
115.08688	5.7
117.07040	8.8
119.04955	5.3
119.08604	6.0
121.02862	4.3
121.06480	6.6
121.10165	11.3
123.08136	4.3
123.11705	5.8
124.07663	2.8
125.05994	3.4
127.03916	16.5
129.05478	7.8
131.08600	10.4
133.10147	16.2
135.04422	4.4
135.08043	4.2
135.11670	12.6
136.07567	8.2
137.02350	7.8
137.05943	5.2
138.09169	3.0
143.08603	2.6
145.04951	7.3
145.06537	3.2
147.04410	8.8
147.11746	3.5
148.57027	2.6
149.13232	23.4
151.11252	3.9
159.08038	3.9
159.11742	10.9
161.02423	2.7
163.03918	3.7
164.07056	7.9
165.01866	15.7
165.12837	4.2
171.11691	2.6
175.03905	7.7
177.12761	9.2
181.05022	10.0
183.02901	6.1
183.06523	3.8
191.77582	2.7
195.13828	28.7
207.06525	17.1
213.14821	7.4
238.38618	3.1
251.16562	3.5
264.04135	2.4
264.07874	2.9
269.08389	2.7
269.17511	49.0
287.05444	4.4
292.07227	3.1
297.07663	8.0
299.05518	100.0
300.05945	5.2
311.05505	10.7
322.08313	3.6
325.07077	23.0
329.06937	2.8
339.08704	13.2
353.06555	45.9
365.06577	7.9
377.06592	9.9
383.07785	13.3
395.07755	16.7
413.08682	19.2
413.21460	5.4
431.09875	21.0
431.18103	13.8
431.23056	37.8
449.12531	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	431.3158
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
50.37718	3.3
52.54069	3.5
55.01874	4.9
55.05505	20.9
57.03424	4.9
57.07078	6.4
63.80033	3.2
67.05517	22.0
69.03403	4.0
69.07071	31.6
70.80957	2.7
71.05000	3.6
71.60503	5.4
79.05509	24.6
81.07057	42.8
83.08617	11.7
85.02892	4.6
85.06560	8.5
91.05483	28.6
93.07048	65.3
95.04960	7.3
95.08606	71.1
97.02886	3.9
97.06533	9.8
97.10186	4.7
99.04460	6.3
99.08086	6.6
102.29395	3.2
105.07028	48.1
107.08599	100.0
108.08931	4.0
109.06536	7.8
109.10161	47.4
111.08095	9.0
117.07028	12.4
119.08580	76.4
121.06454	5.1
121.10138	60.9
123.08076	11.7
123.11718	18.8
125.09629	9.3
129.06987	7.3
131.08542	19.9
132.86987	3.5
133.10129	77.2
133.11064	7.4
135.08073	22.0
135.11691	73.8
137.09615	12.5
137.13272	4.5
143.08546	9.6
144.09357	4.0
145.10123	50.0
147.11693	70.6
149.09642	14.5
149.13277	13.0
151.11180	25.3
153.09138	3.9
157.10123	18.5
159.08034	4.3
159.11703	49.2
161.09644	7.8
161.13260	33.7
163.11188	41.1
163.14879	10.3
165.12732	8.0
167.10620	5.2
169.10120	4.1
169.12218	4.7
171.11681	25.1
173.13295	17.8
175.11201	14.7
175.14828	15.5
177.12769	35.6
177.16333	8.1
179.14371	10.6
185.13277	11.3
187.14789	23.3
189.12740	15.1
189.16429	10.6
191.14291	7.6
193.12221	5.1
195.13815	88.5
199.14828	11.7
201.12778	3.8
201.16377	21.5
203.14369	10.4
205.15891	95.1
207.12152	4.0
207.13800	20.4
209.15526	5.2
213.16386	17.8
215.17934	6.5
217.15944	10.6
219.17390	25.4
221.15398	10.2
223.60983	3.6
225.16504	3.7
227.18008	9.6
229.16022	4.6
231.17470	78.3
235.16983	9.9
239.11311	4.1
245.19008	23.5
249.18530	4.4
257.12317	7.0
259.20578	12.7
261.18539	4.3
275.20270	6.5
285.22363	4.7
316.08643	3.7
333.19131	11.5
337.39139	4.2
377.28342	35.1
395.29495	86.9
413.30569	97.0
414.31125	4.7
431.31876	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	431.3161
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
50.51783	6.0
52.18975	5.6
53.03943	9.8
55.01871	7.0
55.05515	29.0
55.80545	5.2
57.03423	19.3
57.07051	8.6
67.05522	44.5
69.03439	8.6
69.07065	42.4
71.04977	8.3
79.05491	54.7
81.07059	82.1
83.04986	9.3
83.08614	12.6
85.02890	6.9
85.06538	7.9
91.05469	56.0
93.07047	94.8
95.04968	10.2
95.08613	100.0
97.06556	11.7
98.98462	54.6
99.04453	19.3
105.07029	75.6
107.08604	81.4
109.06542	14.8
109.10165	53.7
111.08102	8.6
117.07016	15.5
119.08585	90.8
120.74957	5.6
121.06503	8.8
121.10151	87.1
123.08028	12.5
123.11707	25.7
125.09654	5.6
127.07504	8.4
129.06970	9.6
131.08592	35.7
133.06477	8.3
133.10120	83.0
135.08046	13.5
135.11703	64.8
137.09624	37.3
137.13219	7.9
139.11169	6.3
141.15945	5.5
143.08609	8.6
145.10143	55.9
147.11700	65.1
149.09647	9.3
149.13286	39.3
151.11176	17.8
157.10168	14.5
159.11705	45.6
161.09578	6.0
161.13260	42.3
163.11169	14.2
163.14818	19.2
165.12714	11.0
169.10017	8.6
171.11670	21.3
173.02046	8.0
173.13289	30.0
175.11192	9.5
175.14841	29.3
177.12737	14.1
183.11659	9.8
185.13313	12.9
187.11096	7.8
187.14847	23.8
189.12759	9.5
189.16400	28.0
191.10634	7.2
191.17958	40.1
193.12230	14.5
195.13718	6.0
199.14833	16.6
201.16377	12.3
203.14224	8.4
203.17926	16.4
205.12283	33.0
207.13728	10.6
207.17386	12.6
211.14711	7.6
213.16277	11.4
215.17955	13.3
217.19533	14.9
227.17879	15.2
241.19576	24.1
257.22797	6.9
259.20612	30.9
261.94299	6.6
273.18771	8.6
299.05325	9.0
333.24319	45.6
334.07132	9.4
349.28836	32.1
367.30054	90.2
371.14951	9.3
385.30939	37.7
395.29623	39.9
413.30673	67.1
431.31509	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	431.3521
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
53.03947	2.9
55.05517	12.3
57.03431	2.3
57.07067	7.5
58.78662	2.1
67.05508	18.6
69.07068	19.8
71.08654	3.3
71.61321	3.1
79.05501	10.8
81.07060	39.5
83.08604	9.0
90.01795	3.1
91.05468	5.3
93.07059	18.1
95.04929	3.5
95.08037	4.6
95.08613	58.0
97.10144	5.7
105.07025	8.6
107.08600	26.5
109.06538	2.7
109.09449	3.9
109.10161	50.2
111.11721	6.4
113.00056	2.5
114.51099	2.2
119.08566	13.4
120.08069	7.8
121.10163	21.7
123.08064	7.0
123.11719	24.9
125.09602	3.4
133.10147	12.5
135.11685	16.8
137.13228	8.6
139.07594	3.9
143.08473	2.7
145.10078	3.9
147.11710	3.7
149.13287	15.7
151.07512	4.2
151.11160	2.6
159.11659	3.5
161.13264	6.2
163.14854	17.8
165.09099	3.5
167.07024	5.0
177.12756	4.6
177.16379	6.6
179.17891	2.4
187.14893	2.7
191.17957	4.2
193.12302	4.4
193.19550	4.1
195.13823	10.2
203.17902	2.8
205.19543	3.2
210.50311	2.2
219.21100	12.5
221.15315	4.3
231.13663	2.4
249.71750	2.4
271.24170	9.6
289.25159	2.4
297.83987	2.5
350.11426	2.3
413.34149	100.0
414.34546	3.0
417.67798	2.5
431.35333	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09991	0.9
55.05511	5.8
57.03424	1.7
57.06824	1.4
57.07080	22.0
57.67087	0.9
63.46399	0.8
65.03939	1.0
67.01857	1.7
67.05502	3.4
69.07069	8.4
70.84399	2.0
70.84798	2.2
71.08639	16.8
79.05493	1.6
81.07062	9.9
83.04981	2.4
83.08627	4.5
85.10183	10.2
91.05477	1.9
93.07050	7.0
95.08610	9.1
97.10155	3.2
105.07017	3.0
109.06532	4.7
109.10144	3.9
111.11704	2.9
119.08617	2.1
121.06520	2.6
123.08058	3.7
123.11728	1.8
125.13280	1.7
133.06561	1.2
135.08073	2.8
137.05988	15.1
137.09642	1.2
138.06726	1.1
139.03917	1.4
139.07593	5.0
143.08588	1.0
147.07999	2.6
149.05977	4.5
149.09673	1.3
150.57419	1.0
151.07556	33.3
157.10168	1.5
159.08090	2.3
161.05977	5.9
161.09665	2.0
163.07567	1.6
165.05487	9.9
165.09117	11.7
165.16391	1.5
167.07057	100.0
173.09688	1.5
175.07616	5.8
175.11224	2.1
177.09149	5.5
178.06265	0.9
179.07065	5.7
179.10654	2.9
181.08658	6.6
185.09685	1.2
188.08354	1.2
189.09111	7.8
189.12772	1.1
191.06975	2.3
191.10677	2.7
192.07773	2.1
193.08638	9.7
195.10175	2.7
203.10718	7.2
205.12314	2.6
207.10194	15.0
217.12216	5.2
218.13057	1.0
221.11650	6.0
221.90164	0.9
231.13687	2.0
235.13319	4.2
249.14937	1.6
273.18777	1.0
291.19473	1.4
305.20963	1.6
357.27267	1.1
375.29028	1.1
400.58679	1.0
403.35791	3.1
413.29395	1.0
413.34097	5.9
431.35223	38.6
432.35294	1.3
456.08102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.3
53.94205	14.0
56.96563	25.2
57.03428	16.4
62.14587	14.9
67.05503	53.9
69.07057	29.5
69.21999	100.0
69.22422	68.1
79.05491	21.4
81.07056	67.4
86.80953	17.6
91.05482	27.0
93.07048	56.3
95.04952	16.7
95.08610	40.4
98.97561	24.5
98.98489	28.6
105.06980	18.8
107.08573	27.0
108.67960	18.9
109.06434	15.3
119.08573	25.7
121.10133	44.4
135.11613	19.9
145.10136	15.7
192.01060	17.3
283.05954	56.7
313.07019	22.6
374.34915	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	432.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.3
53.94205	14.0
56.96563	25.2
57.03428	16.4
62.14587	14.9
67.05503	53.9
69.07057	29.5
69.21999	100.0
69.22422	68.1
79.05491	21.4
81.07056	67.4
86.80953	17.6
91.05482	27.0
93.07048	56.3
95.04952	16.7
95.08610	40.4
98.97561	24.5
98.98489	28.6
105.06980	18.8
107.08573	27.0
108.67960	18.9
109.06434	15.3
119.08573	25.7
121.10133	44.4
135.11613	19.9
145.10136	15.7
192.01060	17.3
283.05954	56.7
313.07019	22.6
374.34915	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	433.1125
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
53.03950	1.2
54.22818	0.7
55.01874	1.9
55.05508	1.5
56.96555	0.7
57.03428	1.9
61.02932	1.5
65.03931	1.2
67.05505	2.3
68.99809	1.1
69.03432	4.5
69.07061	1.4
70.00171	2.9
70.06586	1.9
71.04990	1.6
72.08127	0.8
79.05486	1.1
81.03417	5.5
81.07073	3.7
83.04977	1.1
84.08118	1.0
85.02905	5.5
86.09715	0.9
87.23161	0.8
91.05003	0.7
91.05482	5.0
93.07039	1.2
95.04980	1.9
95.08626	1.8
96.09586	0.7
97.02887	3.1
97.06536	2.0
98.97556	0.8
99.04478	1.7
99.08125	0.9
105.07068	2.0
107.04984	1.7
107.08616	1.6
109.02892	4.2
119.04960	5.5
119.08624	0.9
121.02874	11.2
121.06509	0.9
121.10109	1.6
123.04427	1.4
124.07545	0.9
127.03949	4.9
127.60281	0.8
132.60654	0.8
133.06503	0.9
133.10191	1.1
135.04456	1.1
136.07603	1.2
137.05911	1.3
139.03938	0.9
141.01843	1.8
145.02844	2.8
146.06015	1.0
147.04417	2.5
148.05174	0.8
149.02377	2.5
151.03932	1.1
153.01831	1.8
161.06036	1.0
163.03912	4.3
165.01837	12.5
167.03426	2.6
167.07031	2.1
167.10629	0.8
170.08028	1.2
175.03886	2.7
177.01848	1.3
177.05614	1.1
181.04965	3.5
183.02936	3.8
187.42194	0.8
187.47009	0.9
191.03429	1.4
195.02951	2.1
205.04994	0.8
207.06535	2.8
208.06953	2.4
209.07002	1.2
213.05516	1.5
213.09065	1.3
215.03380	0.8
217.04890	1.9
226.07043	1.1
239.07172	0.9
241.08656	1.2
243.02930	1.0
255.06696	1.6
256.07333	2.1
259.09695	1.6
261.03912	1.3
267.06473	6.1
270.05255	2.5
271.06033	22.9
271.19049	1.1
272.07123	1.3
279.06558	1.1
281.05380	1.0
281.08054	5.4
283.06018	100.0
284.06750	15.7
285.07611	1.2
286.08997	0.9
295.06122	11.9
295.09494	1.7
296.06766	1.5
297.04425	1.5
297.07492	6.4
298.04919	1.3
301.07108	1.2
305.08096	2.1
307.05939	1.2
308.06873	2.6
309.04129	2.0
309.07584	19.1
311.05487	1.8
313.07065	73.4
314.07626	1.3
321.07581	2.7
323.05331	1.7
323.09128	19.4
325.06998	1.1
327.08481	1.4
333.07571	2.9
336.06363	1.3
337.07065	34.2
339.08536	1.1
343.08377	4.9
349.07013	9.2
351.08676	4.9
355.08267	0.9
361.07034	8.4
367.08151	22.3
368.08356	0.8
373.12601	1.6
379.08154	18.6
397.09201	27.9
415.10074	21.0
433.10880	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	433.1127
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.78390	0.9
55.01873	0.8
62.50147	0.8
68.99813	1.3
81.03423	1.7
85.02906	2.4
98.97845	0.9
105.81427	0.8
109.02914	1.2
119.04931	4.0
121.02854	9.3
141.01831	1.0
145.02879	2.5
149.02365	2.0
163.03932	3.2
165.01833	16.9
167.03398	2.6
177.01860	1.4
183.02882	3.2
187.03908	1.5
191.03459	1.3
195.02940	1.7
205.05061	1.3
213.05586	1.0
224.16074	1.0
229.04984	1.2
239.06908	1.4
243.03004	1.5
256.07416	1.2
267.06467	7.5
270.05170	1.8
271.05991	7.7
279.06665	1.5
281.08090	6.7
283.06015	100.0
284.06708	11.2
295.06052	12.1
295.09665	2.6
297.04327	1.1
297.07617	2.8
305.07959	2.7
307.06030	1.7
308.06686	2.1
309.03903	2.3
309.07523	21.2
313.07050	67.1
314.07391	1.5
321.07486	3.0
323.09146	17.0
333.07471	3.0
337.07059	35.9
337.11081	1.8
349.07040	11.0
351.08615	3.0
361.07111	10.7
367.08109	18.8
379.08047	17.8
380.16745	0.9
397.09213	21.2
415.10168	11.8
433.11264	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	433.1134
Annotation	Neovitexin
Peak:m/z	Relative Intensity
55.01884	1.9
62.38579	1.1
68.82818	1.0
69.03424	1.9
69.61226	1.2
70.26180	2.5
70.26579	2.7
79.01854	3.4
81.03409	2.8
81.07055	1.4
83.04948	1.4
85.02901	3.9
89.45035	1.1
91.05474	1.9
95.04956	1.6
95.08611	1.7
97.02890	1.5
109.02868	3.4
113.01671	1.3
119.04942	5.4
120.07342	1.2
121.02876	15.8
127.03918	3.0
128.97133	1.2
137.02382	2.6
138.03133	1.1
145.02841	3.3
147.04489	2.6
149.02342	2.9
151.03896	4.3
157.10175	1.1
163.03917	3.9
165.01866	10.2
167.03401	3.3
167.04710	1.3
175.03903	2.1
177.01801	2.1
177.05466	1.4
179.03468	1.4
181.04994	2.4
183.02914	3.2
187.03941	2.9
191.03377	1.2
205.04962	2.1
213.05490	3.2
215.03418	1.9
217.05013	3.3
229.04881	1.5
231.02977	1.3
243.02962	1.6
243.06598	2.5
255.06458	5.7
256.07364	6.2
259.06262	1.4
267.06570	4.7
270.05200	3.0
271.06018	10.0
272.06662	2.0
279.06491	1.5
281.08105	3.6
283.06039	96.4
284.06815	32.2
284.09930	2.2
285.07587	3.6
285.43997	1.3
286.08279	1.6
295.06039	17.2
297.07574	12.4
298.04630	5.9
299.05588	4.8
300.06332	4.0
305.08270	2.4
307.06091	2.2
308.06903	4.0
309.07632	14.0
310.04596	2.8
311.05563	7.9
312.06320	5.3
313.07077	100.0
314.07776	11.4
321.07242	1.8
323.05414	2.6
323.09079	18.3
324.06329	3.0
325.07150	10.2
327.08633	10.2
328.05884	5.5
329.06540	1.7
330.17520	1.5
333.07755	2.8
337.07114	28.6
341.06168	1.5
343.08160	32.2
349.07022	6.4
351.08615	8.6
353.06653	1.9
355.08200	4.1
361.07141	6.4
367.08163	32.2
368.08469	1.7
369.09885	3.9
373.09222	7.4
379.08167	21.2
397.09238	71.7
415.10300	64.8
416.10812	1.8
433.11316	73.8
434.11511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
53.03925	3.6
55.01870	3.0
57.17078	1.8
60.04509	2.6
61.02943	2.3
67.05485	2.2
69.03423	3.5
69.07076	2.4
69.86807	1.8
70.06573	5.0
71.60722	2.9
72.08141	7.4
79.01841	1.7
79.05508	2.2
81.03415	6.8
83.04946	1.8
84.04498	2.2
84.08126	5.5
85.02911	8.3
86.09698	5.4
91.05466	6.1
93.22989	1.8
95.04949	2.5
97.02874	3.7
98.97585	3.4
105.07076	2.0
109.02861	4.6
119.04938	5.8
121.02872	22.4
123.04386	2.6
125.05985	2.9
127.03895	5.1
139.03848	2.6
145.02792	3.4
145.04955	2.4
150.98306	1.8
153.05453	4.3
154.06276	2.6
157.24387	1.7
163.03928	2.9
165.01855	5.3
170.05748	2.5
181.04951	3.6
183.02754	2.3
185.08321	9.0
195.03008	2.5
206.68314	1.7
207.06535	2.7
211.07533	2.3
213.05426	5.0
217.04947	4.6
227.18091	2.1
239.08632	1.9
243.02940	4.2
243.06548	3.1
255.06490	7.3
256.07413	8.4
259.05942	3.2
261.03857	2.2
267.06552	2.2
271.05991	56.2
271.10526	2.6
283.06027	83.6
284.06793	41.3
285.07498	3.0
295.06021	23.6
297.07571	21.5
305.08102	2.5
307.05750	2.3
308.06750	4.9
309.07379	9.0
311.05511	4.2
313.07053	100.0
314.07376	3.3
323.05408	3.4
323.09061	25.6
325.06909	9.7
327.08447	2.1
337.07114	28.4
343.08203	9.5
351.08554	7.1
355.07767	1.9
367.08078	19.4
379.08124	14.8
397.09225	41.7
415.10260	60.2
431.97232	2.2
433.11197	74.0
433.15958	4.7
434.11871	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1346
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03937	1.2
55.01870	0.6
56.96562	0.3
57.03424	0.4
61.02922	0.6
66.83692	0.3
69.03435	2.6
70.06588	0.7
70.24348	1.2
71.04973	0.3
72.08150	1.6
73.02914	0.7
78.01750	0.3
79.05476	0.4
81.03423	2.8
84.08171	0.3
85.02419	0.5
85.02908	7.0
86.09706	0.8
89.10782	0.4
91.05502	0.3
93.07011	0.3
97.02907	4.1
98.21578	0.3
98.97583	0.6
99.04469	4.0
99.30962	0.3
103.03943	4.3
107.04932	0.6
109.02881	3.2
112.44878	0.3
121.02902	0.4
122.07302	0.3
125.05971	0.4
127.03918	100.0
127.71587	0.3
128.04276	0.7
133.06490	0.5
135.04424	0.4
141.26129	0.3
145.04970	3.8
150.05511	0.7
151.03946	0.7
153.05479	1.2
154.06261	0.4
158.99609	0.3
163.07437	0.3
167.07057	0.8
181.04980	2.5
185.08136	0.9
187.06102	0.6
193.08585	0.3
201.00734	0.3
221.08134	0.8
228.02740	0.3
249.07545	0.4
271.06003	0.9
283.06128	0.8
283.74710	0.3
313.07108	0.9
345.09814	0.4
403.14023	1.4
433.16342	1.6
433.27545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1344
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03953	2.0
55.01875	3.0
55.10658	1.1
57.03428	1.6
60.92570	1.1
65.13538	0.9
68.99808	2.2
69.03447	5.0
70.06599	1.4
71.04886	2.6
79.05479	1.3
81.03426	6.6
85.02911	13.1
87.00829	6.2
95.01322	2.3
97.02910	7.3
97.56852	1.0
99.04407	1.7
105.01878	2.6
107.04958	2.1
109.02896	6.6
110.03665	9.5
111.04449	2.6
117.07002	1.0
123.04446	1.2
125.05991	31.7
127.03920	12.4
138.03169	2.1
139.03914	6.6
140.50502	0.9
145.04958	2.7
146.58998	1.1
153.05466	60.5
154.06256	18.9
155.03397	1.9
159.02896	3.4
167.07042	4.1
170.05740	7.8
178.06316	2.7
181.04929	9.4
182.76482	1.2
185.08092	100.0
193.08583	1.4
194.05765	2.5
209.08098	6.3
221.08165	3.0
223.09550	1.3
227.09137	4.4
231.05049	2.0
236.06831	2.9
244.67816	1.2
249.07603	1.6
251.09171	3.4
275.09113	1.2
283.06012	2.3
293.10138	3.3
301.06107	3.1
313.06851	3.0
327.07614	1.3
355.07159	3.0
367.08255	1.3
397.08923	2.1
403.13892	6.9
415.09500	2.4
433.10477	4.5
447.53824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01877	7.1
55.05519	5.9
59.04994	2.4
59.69761	2.4
65.03945	12.4
67.05503	12.2
68.99810	2.4
69.03415	11.8
69.07071	10.5
69.94490	9.9
70.06590	2.8
71.01353	3.8
71.04987	4.7
78.04726	3.2
79.05500	12.0
79.28268	2.2
81.03435	12.6
81.07063	16.5
82.04201	2.9
83.04978	5.4
84.04518	3.4
84.08173	3.4
85.02907	15.1
85.06549	2.5
86.46487	2.2
91.05482	58.7
93.03422	4.6
93.07064	12.2
95.04977	14.3
95.08627	12.1
97.02871	3.1
97.06536	16.4
97.10117	2.8
99.04453	4.4
103.05466	5.1
105.03394	5.3
105.07030	13.8
106.04180	2.5
107.04964	11.2
107.08605	6.6
107.09438	1.9
108.05732	4.7
109.02896	9.6
109.06533	10.4
109.10165	8.7
110.03696	3.2
111.04472	4.2
115.03957	2.7
115.05441	3.2
117.07018	4.5
118.04235	4.1
119.04948	34.6
119.08582	7.0
120.05756	5.0
121.02895	11.9
121.06534	5.5
121.10175	4.4
123.04443	9.8
123.08009	3.0
123.11631	2.6
124.05196	3.0
124.07597	2.1
125.06037	6.1
125.09643	3.9
127.03909	17.8
129.06990	2.9
131.04956	5.0
133.02878	18.2
133.06496	12.6
133.10124	3.9
134.03677	3.9
135.04420	5.8
135.08076	3.7
135.11713	2.8
136.05211	13.8
137.06004	23.2
137.09616	2.8
138.09123	2.4
139.03940	5.2
139.07552	2.7
140.04709	4.4
142.02641	2.4
145.02867	5.4
145.06523	3.6
145.10190	3.6
146.03683	3.6
147.04411	20.4
147.11688	2.9
148.05186	10.9
149.05927	3.8
149.09657	2.8
151.03937	6.1
151.07550	34.6
153.05507	15.5
154.06277	4.5
155.07047	7.9
159.11646	3.0
161.02338	2.7
161.05963	5.2
161.13287	3.4
163.03926	10.9
163.11162	2.2
164.04695	9.3
164.07027	2.9
165.01837	12.8
165.05487	40.8
165.09186	3.4
166.06279	8.7
167.03296	2.9
167.07040	11.8
171.04335	2.8
171.06554	2.6
171.11751	3.5
173.02400	3.5
175.04015	3.9
177.05498	13.3
179.07086	18.1
180.07814	26.9
181.04974	93.3
183.02884	3.4
183.06406	3.1
187.06003	2.6
191.07127	3.0
193.05035	10.5
193.08548	2.3
207.06535	100.0
208.07315	75.3
209.08073	6.9
215.07021	4.9
217.04961	2.5
225.07590	28.7
226.08344	50.7
226.10385	4.0
233.08142	4.5
235.09755	3.5
259.09726	10.8
267.06546	7.4
271.06070	8.1
281.08041	3.9
283.06021	72.7
284.06815	9.0
294.05490	2.8
295.05984	6.5
296.06473	2.5
297.07584	4.1
309.07526	12.8
313.07074	50.7
313.10645	4.5
323.09109	9.3
337.07111	26.9
341.20972	3.2
343.08148	2.9
349.07108	6.6
351.08594	3.5
355.08069	2.7
361.07001	5.8
367.08163	14.4
379.08240	11.4
397.09079	14.9
415.10355	10.7
433.12164	7.7
433.14200	7.1
433.25912	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	433.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	0.5
70.06596	0.4
70.83134	0.6
72.08168	0.3
78.91137	0.3
85.02908	0.4
86.09723	0.6
97.02890	0.3
98.20779	0.3
98.97620	0.3
100.27065	0.4
135.04372	0.3
163.03928	1.1
185.68767	0.4
236.88191	0.3
259.08005	0.8
267.33917	0.3
271.11481	3.9
289.11310	0.4
346.26852	0.3
376.67401	0.4
401.14084	0.5
433.16843	100.0
434.17316	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1684
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.98925	0.3
70.06580	0.4
71.10056	0.7
71.10429	0.8
72.08165	0.4
83.32095	0.3
88.50826	0.4
127.03926	1.8
137.73421	0.4
169.49350	0.4
221.05051	1.0
301.12695	3.1
433.16843	100.0
434.17322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
62.91122	0.4
63.68110	0.3
67.05515	0.3
69.03424	0.9
69.07048	0.4
69.93337	0.6
69.93732	0.7
70.06586	1.4
72.08146	1.2
74.02465	0.4
79.05512	0.3
81.03422	0.5
82.85893	0.3
83.04974	0.4
84.04534	0.5
84.08138	1.0
85.02913	0.9
86.09705	1.5
88.77370	0.3
89.03917	0.4
97.02887	0.6
98.97592	0.7
99.04430	0.6
103.03908	0.4
105.06993	0.4
109.02882	0.7
110.07127	0.3
112.02406	0.3
118.79195	0.4
119.08613	0.6
121.02899	0.7
122.10448	0.5
123.08088	0.4
127.03923	5.8
132.48985	0.3
133.10240	0.4
135.04420	0.4
136.07532	0.4
137.02336	0.9
145.02773	0.4
162.13531	0.8
163.03903	2.3
167.95821	0.3
205.04756	1.2
237.02718	0.4
270.17038	0.4
271.06067	1.5
271.11505	5.7
271.17429	0.8
283.06104	1.0
313.07056	1.0
397.09198	0.4
401.14020	0.7
415.10345	0.5
433.16830	100.0
434.17239	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	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.64166	2.4
55.05511	11.9
57.03426	9.7
57.07064	4.5
66.83529	2.7
67.05507	45.1
69.07066	14.9
69.23596	2.7
71.08624	3.5
79.05505	35.0
80.78511	2.6
81.07065	61.5
83.08614	9.7
91.05486	23.2
93.07052	47.7
95.04958	7.5
95.08619	47.0
98.98476	100.0
99.08078	3.6
105.07050	25.4
107.08601	31.9
109.06540	5.8
109.10155	23.9
117.07031	8.6
119.08586	22.3
121.10145	23.4
123.11688	13.1
124.52886	2.9
131.08571	16.3
133.10132	16.7
135.11711	19.7
137.13266	3.5
143.08546	3.3
145.10138	16.7
147.11693	10.9
149.13255	16.8
155.01038	18.2
159.11693	12.0
161.13258	7.3
163.14839	12.6
165.01814	3.3
171.11710	3.3
171.58083	3.0
173.02124	19.3
173.13243	10.0
175.14919	2.9
177.16377	5.3
181.10048	2.6
187.14836	7.7
201.16364	3.8
243.21097	17.0
261.22159	65.7
271.06125	5.4
279.82266	2.9
283.05994	13.5
313.07065	4.6
317.24734	8.3
335.25851	50.0
407.29358	3.6
415.22437	5.4
415.28064	5.4
433.29584	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	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01878	13.4
55.05510	32.1
56.96576	2.9
57.03437	13.5
65.03958	3.0
67.05503	39.9
69.03416	10.2
69.07068	17.4
71.04987	7.4
71.59750	2.5
71.75983	2.4
79.04765	2.5
79.05497	55.0
81.03420	15.8
81.07051	46.6
83.04977	7.9
83.08616	17.0
84.04494	3.5
84.08104	3.0
85.02904	8.4
85.06515	3.6
91.05488	46.4
92.05787	2.5
93.07036	33.0
95.04963	33.3
95.08597	26.9
97.02850	3.2
97.06533	10.1
97.10180	20.9
98.97588	4.9
99.04477	5.7
101.60989	3.3
103.05468	8.2
104.85574	3.4
105.07014	32.6
107.04938	18.3
107.08600	27.8
109.02889	10.1
109.06504	8.8
109.10155	10.9
117.07035	16.3
119.04962	8.3
119.08586	20.4
121.02870	6.0
121.06503	23.1
121.10147	19.9
123.04460	3.6
123.08075	8.7
123.11719	4.9
125.06024	2.8
125.09616	18.4
127.03913	10.3
128.06223	7.5
129.07004	23.0
131.04916	12.5
131.08577	29.9
133.06483	10.9
133.10115	12.7
135.04453	3.3
135.08060	13.4
135.11720	4.7
137.05959	5.3
141.07005	8.9
141.88739	2.6
143.08551	15.2
145.06448	23.3
145.10129	16.8
147.04422	8.5
147.08061	10.2
147.11681	5.8
149.09587	21.3
155.08548	7.9
157.06564	3.1
157.10132	8.7
159.08061	8.8
159.11656	12.4
161.09589	6.0
161.13243	5.9
163.03920	5.4
163.07436	3.0
163.11198	4.0
165.01811	6.3
165.06975	3.8
167.07104	4.1
167.08559	7.6
169.10133	11.9
171.08000	6.8
171.11667	15.0
173.09648	7.6
173.13158	3.1
177.05453	4.0
177.12737	4.1
181.05006	7.6
181.10161	4.6
183.11777	7.3
185.09636	6.7
185.13223	4.7
187.06065	2.8
187.11189	9.4
189.09209	5.7
189.11186	9.6
189.12798	9.4
193.10155	3.9
195.11624	5.5
197.09605	5.9
199.11153	6.3
205.12224	8.3
207.11841	3.2
209.13284	5.0
211.11217	3.6
213.12650	4.4
223.13287	6.6
225.12868	4.6
227.12737	5.6
229.12277	6.3
243.13788	4.3
245.13884	3.1
249.14963	2.9
257.15378	3.2
267.06573	3.1
271.06027	5.9
273.14853	2.8
281.08160	3.2
283.06021	49.5
284.06708	10.0
288.11264	3.3
295.06003	8.6
295.20483	3.4
297.07498	3.8
305.18875	4.2
309.07629	10.3
313.07047	37.6
313.21588	4.8
323.09076	6.4
323.20105	25.5
337.07108	16.2
341.21118	100.0
349.07159	4.5
349.43341	3.1
359.22186	8.4
361.07083	4.8
367.08041	12.1
379.08060	5.9
397.09210	8.6
397.23694	3.0
399.96164	2.9
415.10294	8.0
415.24820	41.9
433.11618	8.6
433.20847	5.6
433.25928	72.7
433.31381	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.3
56.96021	1.9
57.03433	6.2
59.04995	3.9
60.20150	1.4
63.02335	1.4
63.88815	1.7
65.15651	1.6
67.05508	7.6
69.07075	8.2
71.08598	1.7
79.05492	4.4
81.07055	11.5
83.08633	5.9
85.06570	3.5
89.67475	1.5
91.05482	2.1
93.07040	5.8
95.08625	8.6
97.06528	1.8
97.10192	3.1
105.07028	2.8
107.08590	3.7
109.10156	6.5
110.95596	1.5
111.08121	2.2
113.00023	92.6
117.06963	1.8
119.08562	3.5
121.10169	5.0
125.09608	2.2
133.10123	2.4
135.11719	2.7
137.33257	1.5
145.10124	2.2
149.13275	2.8
151.11287	2.5
169.02631	100.0
182.99828	1.5
236.21599	1.6
265.25534	2.8
283.26410	7.9
301.62802	1.6
313.07040	2.7
337.07114	1.9
412.69528	2.0
433.31445	2.4
433.36938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.05518	29.4
57.03427	5.7
57.07062	6.1
59.05008	47.3
59.37791	1.9
65.03943	2.9
67.05511	20.0
69.07090	13.9
69.93407	10.1
73.06548	2.1
76.68594	1.9
79.05506	15.2
81.07064	22.9
83.08627	6.6
85.06551	82.1
91.05490	34.1
93.07055	32.3
95.04960	7.0
95.08616	27.0
95.12505	1.8
97.06503	4.7
97.10165	2.8
99.08107	3.8
103.05484	3.3
105.07045	28.4
107.08600	22.0
109.06519	9.0
109.10162	15.1
111.08071	9.1
113.00031	100.0
115.05502	5.1
116.06208	2.4
117.07041	15.1
119.08594	54.2
121.06528	3.6
121.10142	22.3
122.07300	4.6
122.58582	1.9
123.08060	6.3
123.11658	3.3
125.09647	18.6
128.06216	6.2
129.07005	6.6
130.07817	3.4
131.08588	22.2
133.10161	17.9
135.08044	5.6
135.11699	12.1
137.09634	18.3
141.06995	5.7
142.07785	9.9
143.08589	19.0
144.09328	2.9
145.10124	32.0
147.08047	4.6
147.11662	9.5
149.09660	7.0
149.59901	2.0
151.11185	20.4
151.14812	1.9
153.05447	3.7
153.07028	2.1
155.08592	5.2
156.09354	7.4
157.10147	20.5
158.10934	2.2
159.08066	3.7
159.11682	11.1
161.09612	3.5
161.13329	5.1
163.11185	6.4
165.07047	3.2
167.08569	5.4
168.09335	4.5
169.02634	90.6
169.10161	9.9
170.10919	4.3
171.11682	15.5
173.09561	3.2
173.13257	5.6
175.11172	4.5
175.14813	3.1
179.08578	5.2
179.10635	1.8
180.09282	2.8
181.10083	6.4
182.10960	1.9
183.11673	10.9
185.09819	1.7
185.13272	7.3
187.11243	2.9
187.14822	2.6
189.12718	4.6
193.10101	5.4
194.10938	4.7
195.11714	7.4
197.13226	8.9
199.14835	2.6
203.14310	4.5
206.10892	4.3
207.11655	5.1
208.12453	2.1
209.13237	9.8
211.14877	4.9
213.12589	2.3
219.11760	2.4
220.12462	2.2
221.13286	7.9
222.14064	2.1
223.14880	4.3
225.16455	4.9
230.24763	2.6
235.14810	6.0
237.16446	2.4
261.16147	2.0
263.17929	3.6
283.06027	3.3
313.07007	3.3
317.22363	2.1
415.28973	2.8
421.09180	2.0
433.31638	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	433.3316
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
55.05515	11.4
56.31643	1.5
57.03410	1.6
57.07069	2.7
67.05506	14.0
69.07077	15.7
69.26369	11.2
69.26788	6.0
79.05502	15.2
81.07061	33.4
83.04993	4.2
83.08614	6.5
85.06565	4.7
89.33810	1.6
91.05489	15.0
93.07050	40.3
95.04991	3.2
95.08611	56.2
97.06535	3.4
97.10180	3.6
99.04473	2.6
101.06033	1.8
105.07036	27.4
107.08598	62.5
109.06530	2.1
109.10170	30.4
111.08095	2.4
117.07035	3.6
119.08592	63.4
120.08974	1.9
121.10160	42.4
121.32693	1.5
123.08092	4.0
123.11714	10.4
123.70990	2.1
125.09653	1.8
129.07048	2.2
131.08577	12.4
133.10146	46.2
135.08073	5.1
135.11707	41.0
137.09610	3.2
137.13295	3.6
143.08575	3.6
145.10127	22.2
147.11705	41.9
149.09642	1.9
149.13277	16.2
151.11232	15.9
153.09117	5.3
153.12680	1.5
157.10139	5.3
159.11703	27.8
161.09651	3.1
161.13254	19.9
163.11197	4.3
163.14807	11.7
165.12761	2.1
166.05408	3.0
167.10692	3.0
169.12196	4.3
171.11681	3.4
173.13269	16.2
174.13861	1.7
175.14853	9.3
177.12766	5.7
177.16357	8.3
179.10641	2.3
179.14322	5.4
181.12183	3.3
185.13278	3.2
186.14191	1.8
187.14839	18.0
189.12747	2.4
189.16391	72.6
191.14337	3.2
191.17969	4.9
193.12209	2.3
195.13802	8.7
199.14903	2.2
201.16353	20.4
203.14348	2.8
203.17958	8.6
205.15977	2.0
207.13829	6.7
207.17461	56.6
209.15410	4.8
213.16367	2.5
215.17966	31.5
217.12370	1.9
217.15849	2.2
217.88423	1.8
219.14098	1.7
219.30153	1.6
221.15410	9.6
221.19051	2.1
225.16400	2.3
229.19492	20.3
233.15436	2.8
233.19066	8.5
235.16966	7.6
243.21240	3.8
247.16936	3.0
247.20686	4.5
249.18509	7.4
261.18750	2.1
271.06091	2.2
275.20233	3.6
283.06003	6.0
294.04074	1.8
301.21777	3.0
313.07053	5.9
341.24829	3.7
353.21762	2.4
355.26215	2.0
361.07071	2.1
373.16486	5.0
379.29871	4.8
391.17422	1.8
397.08945	2.5
397.31046	100.0
398.31296	2.7
415.27313	1.6
415.32480	22.1
433.28842	2.4
433.33911	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	433.3317
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
50.67147	7.1
53.03950	8.9
55.05510	24.3
55.85633	5.7
55.89348	6.5
57.07070	8.3
57.74667	6.8
67.05506	39.3
69.07074	26.5
69.58678	29.1
69.59093	13.6
71.81622	6.2
74.20949	5.6
79.05502	40.7
81.07062	99.0
83.04966	8.4
83.08610	13.2
85.06549	12.4
91.05473	32.2
93.07057	70.2
94.68660	6.8
95.04977	7.7
95.08620	87.0
97.06497	6.6
97.10167	9.1
98.20741	14.3
105.07053	46.7
107.08604	78.6
109.06535	12.9
109.10139	52.9
111.08051	9.2
111.11795	7.0
117.07003	11.4
119.08575	55.0
121.02880	8.9
121.10146	87.6
123.11713	29.8
129.07019	7.9
131.08600	26.2
133.10130	38.2
135.11705	55.1
137.13223	11.4
139.11176	20.5
143.08601	12.4
145.10175	31.7
147.11670	46.5
149.02328	7.1
149.13286	21.5
157.10141	18.3
159.11734	31.5
161.13303	29.3
163.11212	8.2
163.14850	24.1
165.01799	8.1
171.11646	8.7
173.13274	21.3
175.11215	10.6
175.14824	15.3
179.14311	11.2
183.11703	7.7
185.13206	9.7
187.14867	14.9
189.12775	12.2
189.16464	16.8
191.14288	10.0
191.17955	15.4
199.14735	8.3
201.16309	15.2
202.70525	7.2
203.17998	11.9
207.17461	8.0
213.16463	8.9
215.17966	12.2
217.19554	23.1
229.38664	6.2
235.16922	7.8
271.06064	22.4
283.06052	62.2
284.06696	12.8
288.25964	7.0
295.06070	9.3
309.07587	8.2
313.07071	54.5
323.09055	10.4
337.07117	22.1
354.86411	6.4
358.16525	10.4
367.08170	12.2
369.31573	15.3
379.08105	17.4
379.29916	17.8
397.09219	22.5
397.31204	54.8
415.10104	9.2
415.27432	7.1
415.32263	100.0
433.11749	8.1
433.30161	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13610	0.8
53.03933	1.3
55.01863	2.3
56.11175	0.8
57.03436	25.6
60.04514	0.8
60.76184	1.0
61.02682	1.0
61.02931	11.1
69.03432	40.5
69.61765	6.0
71.01356	4.2
71.05001	1.2
73.02919	55.4
81.03429	5.0
85.02905	100.0
87.04467	12.6
91.03964	6.1
91.05466	1.4
95.04962	1.1
96.04456	1.7
97.02896	58.2
99.04478	4.8
103.03939	1.5
105.07035	14.9
109.02889	8.4
115.03932	49.7
117.05433	0.9
119.08571	1.5
127.03921	26.2
132.06531	2.0
133.04971	23.6
137.06053	1.0
145.04962	47.4
147.08043	2.7
150.07584	6.0
163.06027	22.4
167.08459	0.9
181.04947	1.7
189.09033	1.5
201.09117	2.6
219.10156	1.9
223.06046	4.3
231.10150	1.9
235.68771	0.9
241.07060	5.4
249.11156	1.5
259.08154	3.6
285.13391	6.0
295.10303	4.3
302.16074	1.3
403.37524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85141	0.2
52.69216	0.2
56.96553	0.5
57.03421	0.4
58.06586	3.2
58.06857	0.3
59.07358	0.9
61.02887	0.2
65.40296	0.2
69.03404	1.0
70.06557	0.3
71.60085	0.3
72.44705	0.2
73.02902	0.3
73.99517	0.2
74.09720	23.8
75.58544	0.2
81.03413	0.3
84.08128	0.3
85.02916	1.7
97.02910	1.0
101.00879	0.6
118.08648	2.9
119.01884	0.6
127.03893	0.7
131.01955	0.3
132.10236	0.4
138.05548	0.3
140.06841	0.3
141.06390	0.3
143.01880	0.4
145.05002	0.4
152.09291	0.2
155.01869	0.4
156.04205	0.8
156.08701	1.8
158.06631	4.1
161.02951	0.2
163.03891	0.5
167.01958	0.3
173.02977	0.3
174.04506	0.5
174.09769	4.4
176.07697	11.0
177.07918	0.3
178.23399	0.2
183.04971	0.6
185.02925	0.8
191.06374	0.2
192.05408	0.3
194.08711	0.3
197.03027	0.3
200.07683	67.0
201.07887	1.8
203.03978	0.4
211.06573	0.3
218.08748	52.5
219.01808	0.2
219.08940	1.5
221.05103	0.6
222.05281	0.6
227.08824	0.4
232.10300	0.6
236.09692	0.3
237.00610	0.2
241.10352	1.4
243.11955	1.9
245.05103	1.4
245.13576	0.3
255.01740	0.4
255.07227	0.4
261.12961	3.9
263.05899	0.3
264.07654	0.8
273.16556	5.1
274.10089	1.3
275.14551	1.0
290.11487	0.3
299.23615	0.2
302.11340	0.6
317.15585	100.0
318.15845	3.1
383.80902	0.3
393.04657	0.3
429.07040	0.4
434.17358	1.5
434.23068	0.3
435.12891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1265
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
51.72598	0.9
51.90952	1.1
53.03940	1.4
54.87617	1.0
55.05509	1.8
61.02914	1.7
62.90259	0.9
67.05495	1.7
69.03406	2.5
69.07065	2.7
70.06552	1.2
70.49126	0.9
70.71436	2.7
79.05477	3.5
81.03437	2.0
81.07059	2.3
83.04975	1.1
84.08146	1.5
85.02885	3.2
86.09706	1.0
91.05495	5.1
93.03396	1.3
93.07030	2.7
95.04954	4.1
95.08612	1.6
97.06526	5.3
103.05454	1.1
105.07008	1.9
106.04160	1.1
107.04946	2.8
107.08611	2.3
109.02911	1.1
109.06534	1.0
115.05476	1.5
117.06999	1.5
119.04894	1.8
121.06456	1.1
121.10114	1.2
123.04411	2.7
131.04919	1.3
133.06493	1.2
133.10110	1.7
137.05954	2.1
140.04723	1.3
145.06464	2.4
147.04408	2.7
149.05927	1.3
155.07095	1.5
167.07043	11.2
173.06082	1.1
177.05420	2.0
181.04944	10.7
181.08591	1.3
183.06586	1.4
186.06763	1.6
187.07428	1.5
201.05380	1.2
207.06548	2.2
209.08095	2.3
221.08023	1.1
227.05347	2.5
233.08040	7.4
236.07463	1.1
271.04300	2.7
275.12891	2.2
276.13184	2.3
299.09061	1.7
333.68649	1.1
349.12665	5.7
355.11664	1.2
373.13016	1.3
387.14365	1.5
391.13644	47.1
391.18808	2.3
392.13861	2.4
403.13702	3.9
417.15564	9.0
418.16113	1.5
435.12625	100.0
435.19662	3.3
436.13208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.2
61.68277	1.2
65.03953	2.0
68.36108	1.1
69.03419	4.1
70.83369	2.6
70.83705	1.4
81.03417	4.6
85.02898	5.4
95.04969	6.4
97.02896	2.2
99.04455	1.3
109.02892	2.7
111.04488	1.7
118.27572	1.2
121.02865	100.0
127.03911	2.6
137.06012	1.4
139.03900	15.9
145.06351	1.4
163.03955	1.9
228.12341	1.3
265.07144	3.6
283.08105	11.2
435.17606	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	435.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01865	5.2
56.46944	1.0
61.02938	2.0
65.03956	6.1
66.17968	1.0
67.05490	3.2
68.25762	1.1
69.03429	2.3
70.72952	3.7
73.02895	3.4
75.04488	7.1
76.71481	1.1
77.03938	1.9
77.74598	1.3
78.04700	5.4
79.05486	6.5
81.03421	2.5
81.07043	2.4
82.04182	1.3
85.02922	7.2
89.03902	2.8
91.04944	1.8
91.05488	22.3
93.02875	1.8
93.03416	21.6
93.07061	9.0
95.04969	9.5
97.06539	6.6
103.05464	10.9
105.03391	1.9
105.04517	2.3
105.06997	3.4
106.04178	50.7
107.04960	13.4
109.06483	2.1
110.03671	2.4
115.05465	4.1
116.06192	1.4
117.03382	1.5
117.07005	2.4
119.04935	4.5
121.05631	2.4
121.06516	48.4
122.03634	1.5
123.04441	5.5
124.05222	3.3
125.06001	13.0
131.04977	3.0
133.02835	3.2
133.06499	4.0
134.03658	6.5
137.05980	9.8
138.06706	1.8
139.07515	4.1
145.02800	2.7
145.06500	7.1
147.04428	3.0
148.05215	4.5
149.05989	66.8
149.64088	1.1
151.03903	2.0
151.07523	5.6
152.08357	1.8
153.05446	4.2
153.09125	19.3
155.06006	2.1
157.06378	1.9
161.05931	4.9
163.03911	1.9
163.07553	3.6
165.05490	5.3
166.06271	2.3
167.07050	30.2
167.11678	1.1
171.06601	1.5
172.05226	3.6
173.05994	3.2
175.07538	2.6
177.05484	35.7
180.07747	2.2
181.03375	2.3
181.04985	40.6
181.08595	38.2
183.06619	1.3
187.07506	2.4
189.05478	2.6
190.06210	2.0
191.07060	3.6
195.06482	1.2
201.05490	3.6
203.06845	1.1
205.08586	5.4
208.07297	7.0
209.08090	100.0
213.05453	1.5
218.05714	3.0
219.06380	2.5
221.08089	4.1
225.07581	5.0
226.08249	1.5
233.08073	25.2
235.09653	2.3
251.09178	2.1
263.09158	5.4
281.07761	1.4
283.06076	1.6
284.06509	1.6
285.06799	1.9
303.04971	18.3
307.09607	1.6
315.07730	1.9
335.08997	1.2
339.07703	2.1
339.11917	1.4
342.98190	1.2
387.14459	3.0
399.14294	2.2
417.15506	24.7
435.13080	1.5
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
53.03953	6.1
55.01869	4.1
55.05505	5.2
55.98797	1.9
58.43271	2.0
65.03943	9.7
67.05504	4.7
69.03419	4.7
70.56929	6.4
70.57283	2.7
75.04481	6.9
78.04719	6.3
79.05492	14.5
81.03415	3.5
81.07046	5.2
83.04998	3.7
83.08625	4.6
85.02902	6.9
89.03928	3.4
91.05489	30.3
91.58096	2.5
93.03416	21.0
93.06521	1.9
93.07045	12.1
94.04205	2.1
95.04983	12.2
95.08603	3.1
97.06532	8.8
100.07620	2.5
100.11262	8.2
103.05443	12.2
105.07024	5.3
106.03468	3.0
106.04178	49.1
107.04974	13.1
107.08597	3.3
109.06522	5.2
109.10120	3.8
111.04419	6.9
117.03369	3.8
117.07031	2.7
118.12288	2.9
119.04959	2.6
121.06525	49.8
123.04436	5.0
123.08062	2.1
124.05180	3.2
125.06010	14.3
127.03926	2.5
131.04938	4.8
131.08568	3.0
133.02814	4.2
133.06519	4.5
133.65851	2.4
134.03633	6.8
135.11708	2.1
137.05951	12.9
138.06741	2.5
139.07526	3.1
141.11525	3.5
144.05672	2.3
145.06464	3.8
146.25186	1.9
147.04413	4.4
148.05168	3.0
149.05995	75.8
151.03915	2.0
151.07542	5.8
153.01793	2.4
153.05487	4.9
153.09131	20.4
155.07048	4.7
158.88467	2.3
159.08041	2.5
161.06007	4.7
163.03850	2.4
163.07599	5.5
165.05424	6.5
166.06264	2.2
167.07053	35.5
171.06548	3.0
172.05197	6.0
173.05896	4.5
177.05482	48.9
177.12717	2.8
180.07814	4.6
181.04970	65.3
181.08582	36.8
182.15404	9.9
189.05435	2.7
191.07048	7.9
193.08702	2.3
205.08630	3.9
207.06535	4.7
208.07300	4.9
209.08101	100.0
210.14934	8.6
221.08049	6.2
225.07568	6.3
226.08241	4.9
228.15891	2.6
233.08110	24.6
249.94099	2.1
251.09282	2.4
255.20755	3.2
263.09232	7.4
273.07556	5.1
283.05789	2.8
284.06549	3.3
285.06848	6.0
314.07513	2.4
315.07565	5.4
331.74567	4.4
353.75879	3.2
367.12045	2.3
372.11853	2.5
387.14178	3.3
417.10599	3.8
417.15518	21.7
435.14825	2.8
446.96951	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84468	1.3
53.03937	3.6
55.01857	5.3
55.05515	10.7
57.03422	2.0
65.03944	8.7
66.56469	1.3
67.05489	5.5
69.03438	3.2
69.07067	2.3
70.09155	1.2
71.01352	1.4
71.16788	1.2
74.18891	1.2
75.04472	5.9
78.04721	7.1
78.05114	1.2
79.05482	6.6
81.03397	1.8
81.07040	3.9
82.06565	2.1
83.04977	3.5
83.08596	4.2
84.08161	1.2
85.02921	7.9
87.32670	1.2
87.48720	1.2
89.03920	3.8
89.06030	2.1
90.96954	1.2
91.04946	2.8
91.05481	27.2
93.03413	20.9
93.07034	8.6
95.04971	8.7
97.06532	7.5
98.20670	2.6
100.07628	1.9
100.11248	19.6
103.05469	10.3
105.03351	1.8
105.04493	1.6
105.07042	2.2
106.04175	51.0
107.04958	5.2
107.08648	1.6
109.06516	3.1
110.03684	2.2
111.04444	7.7
112.07610	1.7
117.03386	1.6
119.04939	3.7
119.08662	2.2
120.05708	1.6
121.06508	48.2
123.04415	4.4
123.07996	1.8
124.05171	3.0
125.05998	13.3
128.07069	2.4
131.04910	3.2
131.71481	1.5
133.02867	3.8
133.06465	4.5
134.03632	6.8
135.04349	2.9
137.05981	8.6
138.06732	2.4
139.07504	3.6
140.07123	1.4
141.11476	3.5
145.02852	2.1
145.06438	1.7
147.04434	2.5
148.05217	3.2
149.05981	63.3
151.03877	1.4
151.07544	6.4
153.05464	4.3
153.09116	19.0
153.12703	1.4
154.06253	1.6
155.07002	4.1
159.08141	1.6
161.05919	3.2
163.07565	2.7
165.05487	6.2
166.06215	2.5
167.07036	16.0
172.05087	2.1
173.06012	2.8
177.05470	39.3
180.07835	3.0
181.04984	34.8
181.08583	33.9
182.15396	14.0
191.06996	4.3
192.37518	1.3
193.04890	2.9
199.18001	2.5
201.05470	1.6
207.06464	2.6
208.07303	6.3
209.08092	100.0
209.16550	2.2
210.08531	2.3
210.14934	15.6
225.07536	3.4
226.08392	3.5
229.49051	1.9
233.08102	14.6
235.09654	2.2
240.67647	1.8
245.18507	1.5
251.09158	2.0
263.09247	2.1
268.21506	4.3
280.37881	1.4
285.06708	1.7
315.07501	3.4
331.74878	1.6
353.75827	2.8
367.11853	1.7
387.14243	1.7
399.09750	2.3
399.14603	2.4
417.10681	2.8
417.15515	8.5
417.29309	2.5
426.29831	1.9
435.13953	5.9
435.19760	2.5
435.28082	1.4
435.33359	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	436.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86396	1.1
54.27390	1.2
54.60476	0.9
55.05504	2.0
62.56600	1.0
65.03916	1.3
67.05492	2.9
69.03398	1.2
71.59599	1.2
79.05469	2.2
81.03409	1.5
81.07049	2.8
91.04966	1.2
91.05489	20.6
93.07008	1.2
95.08575	1.4
105.07028	2.5
106.09843	1.0
107.04964	1.3
107.08596	1.3
109.10156	1.8
119.04951	38.2
121.06531	1.0
132.04462	1.2
132.98143	1.0
147.04414	100.0
147.11694	1.3
154.06375	1.0
155.08293	1.1
158.08405	17.0
160.07518	1.5
190.70650	1.2
218.09743	4.9
228.08162	1.5
243.09216	1.8
245.10733	6.0
246.09148	5.1
255.09210	7.5
256.09982	4.3
258.07889	3.0
261.10263	2.3
271.08679	2.4
272.09320	2.7
272.11868	2.9
273.10236	55.3
278.71317	1.1
290.12906	28.5
316.10632	1.5
409.06628	1.0
419.13791	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	436.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01856	3.5
55.05483	1.6
56.81722	1.7
57.03180	1.8
57.03439	24.6
58.64794	1.5
58.99576	3.2
59.20383	1.4
60.04523	2.9
61.02931	7.8
69.03431	28.0
69.07053	1.9
69.25063	14.0
70.06576	5.8
71.01355	2.8
71.04984	1.9
72.08147	5.3
73.02921	53.9
76.02230	3.1
79.05475	5.6
80.05032	1.7
81.03404	5.3
81.05795	3.7
81.07047	6.7
84.04484	5.9
84.08128	2.2
85.02902	41.0
86.09710	2.1
87.04459	2.9
89.03908	2.0
95.04952	3.4
96.08136	13.9
97.02892	40.7
97.06540	3.0
99.04453	1.8
101.00665	1.8
103.03970	2.7
105.07030	1.6
106.06573	2.2
107.04958	60.4
107.05676	3.4
109.02869	5.6
109.06492	5.5
113.04232	2.3
115.03939	28.1
116.98569	1.7
117.07032	1.6
119.04908	1.7
121.02877	3.8
121.06503	17.1
124.07594	100.0
125.05959	1.9
127.03912	12.1
130.04997	2.0
131.04909	2.2
132.06537	4.3
133.04958	7.3
133.06488	9.0
135.04405	4.2
137.05945	3.1
142.08618	1.9
144.06580	2.2
145.02846	1.8
145.04980	15.8
145.06470	10.5
146.02617	1.8
147.04381	2.1
147.08002	2.8
149.05983	14.5
150.07635	4.1
156.08426	3.8
157.06654	2.3
159.08051	3.0
161.05946	9.9
163.03932	5.9
163.06061	3.9
167.07068	2.9
169.06357	1.8
173.05946	5.9
174.09477	2.9
177.05521	5.1
186.11304	1.7
187.07521	5.6
190.42439	1.8
191.07030	3.6
192.03198	3.0
203.07051	4.2
215.07007	5.1
221.08096	3.8
223.05905	2.4
233.08070	16.1
234.08452	2.2
239.09276	1.8
241.06917	3.2
251.09099	11.3
259.08093	3.2
289.12164	15.8
295.10333	2.2
299.66498	1.7
418.10672	2.4
418.15726	2.8
436.18509	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.3
55.05495	15.5
64.70454	8.1
67.05503	15.6
69.03403	25.5
69.07067	11.4
70.06586	8.4
71.60423	12.8
73.02919	8.2
79.05471	23.8
81.03402	16.7
81.07042	24.8
85.02915	57.9
87.00808	28.3
91.05469	32.8
91.08321	6.5
93.07046	96.4
95.04935	13.6
95.08584	33.7
97.02855	23.2
97.06532	15.0
105.01907	36.1
105.07017	9.0
107.08594	100.0
109.02853	16.9
111.52321	7.6
119.08562	9.4
123.04429	8.4
127.03915	46.7
135.11696	67.7
137.05981	9.2
145.04947	22.4
145.06577	7.9
160.61278	8.0
167.07050	26.0
168.07352	9.4
181.04910	11.5
182.05319	14.6
205.08574	15.9
231.05028	11.3
234.08588	19.0
274.64581	8.2
303.35980	7.1
418.15927	12.5
436.23349	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00927	3.3
53.03943	9.3
55.01866	11.5
55.05509	10.7
56.20746	3.3
57.03439	7.3
61.02941	3.4
65.03928	5.7
67.05504	15.4
69.03433	36.4
69.07064	10.4
70.06598	5.7
71.04992	4.2
71.61473	3.8
73.02915	11.9
79.05502	16.3
81.03428	21.1
81.07072	20.7
83.04990	4.5
84.04498	3.7
85.02914	79.6
86.09707	6.4
87.00835	36.6
91.05489	33.0
93.07054	84.1
95.04987	10.0
95.08611	26.8
97.02888	38.9
97.06553	8.6
99.04462	11.6
105.01873	51.0
105.07036	12.2
107.04965	5.3
107.08601	100.0
109.02891	24.1
109.06546	5.6
109.10164	3.5
119.08601	9.7
120.08185	3.6
121.02838	5.5
123.04421	5.4
127.03939	54.9
130.12067	3.4
133.06476	3.9
135.11713	62.6
137.05954	4.3
143.08711	3.4
145.04970	33.8
145.10155	7.3
147.02806	2.9
149.06087	4.6
153.12688	6.5
158.92369	3.6
159.02913	13.7
159.95045	2.9
162.05515	21.8
167.07036	5.9
170.12366	3.1
177.10638	3.2
181.04997	4.0
182.05220	4.1
188.07086	4.8
190.05060	17.0
231.04984	14.4
234.08397	4.9
238.72855	3.3
276.48688	3.7
286.06879	5.7
303.04990	11.4
304.05356	30.7
316.08124	10.1
418.15768	8.0
436.22708	3.9
437.14142	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42346	1.6
53.03944	9.2
55.01878	8.4
55.05500	4.9
57.03423	3.8
58.80505	1.5
61.02923	3.9
65.37823	1.5
67.05486	5.2
67.19252	1.8
68.99800	2.4
69.03436	18.9
69.07053	4.5
70.06581	3.5
70.64670	3.6
71.04983	4.9
72.08154	1.8
73.02905	6.3
79.05507	18.8
81.03423	23.6
81.07065	11.9
83.04991	3.6
84.08172	1.7
85.02907	64.0
87.00840	21.2
89.84943	1.8
91.05482	24.0
93.07052	85.2
95.04955	5.4
95.08610	12.6
97.02905	23.2
97.06522	9.3
99.04445	12.3
105.01879	23.6
105.07043	8.6
107.08598	100.0
108.08909	2.3
109.02880	22.3
109.06512	2.3
109.10137	5.9
115.03850	1.6
117.01879	2.3
119.06058	2.6
119.08556	3.5
121.10115	1.5
123.04415	1.4
127.03924	47.6
129.12090	1.6
133.10109	2.1
135.11703	49.3
143.08447	1.7
145.04985	23.4
145.10191	1.7
146.18132	1.7
147.02867	2.1
149.05945	1.5
153.12718	5.8
159.02907	15.9
159.11520	1.8
167.07092	3.0
181.04868	1.9
184.92586	1.9
189.05524	1.8
227.11803	2.1
231.04955	9.8
234.08572	1.7
255.34363	1.7
274.10812	2.3
285.06717	1.7
418.15799	3.5
437.14041	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14699	7.2
53.03948	10.4
55.01860	13.2
55.05508	18.7
67.05513	20.3
69.03439	39.7
69.07085	37.7
70.06580	15.8
71.04980	15.1
71.47987	6.9
71.59734	12.8
71.86512	8.6
73.02888	9.4
79.05500	19.5
81.03405	41.0
81.07047	23.2
83.04987	11.1
85.02911	100.0
85.06524	16.9
87.00840	40.2
91.05458	23.8
93.07047	24.4
95.04958	9.9
95.08619	19.4
97.02896	58.5
97.06528	26.0
98.97593	18.1
99.04439	17.2
105.01868	65.2
105.07053	12.6
107.04964	15.4
107.08579	24.9
109.02863	37.1
109.10136	18.2
109.31633	8.0
117.07038	10.1
119.04944	18.0
119.08589	10.8
120.04443	13.3
120.08114	45.0
121.06556	9.6
121.08434	9.3
121.10123	17.2
127.03909	60.1
131.08586	9.5
133.10144	15.8
135.11673	16.2
137.05904	8.8
145.04980	34.7
145.06259	10.6
147.04370	11.3
149.05995	10.3
150.06335	7.7
153.12746	40.4
162.63812	7.9
163.03873	8.1
167.07062	26.9
168.07433	13.6
181.04967	27.8
182.05269	12.4
187.12621	8.1
194.75772	9.7
207.06538	11.5
209.08041	11.9
231.05029	12.9
234.08452	19.4
362.12598	10.3
418.15958	19.0
436.14771	23.8
437.21573	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53904	2.7
53.03936	10.0
55.01868	5.6
55.05499	6.3
57.03431	2.9
57.07074	6.3
67.05493	13.0
69.03440	15.4
69.07055	11.6
70.23498	9.4
71.04958	3.0
73.02930	4.2
79.05482	13.7
81.03439	17.1
81.07063	53.8
83.04951	3.7
85.02917	38.8
87.00841	19.6
91.05485	23.2
93.06460	6.1
93.07046	100.0
95.04963	6.4
95.08608	33.2
97.02902	16.7
99.04474	7.6
105.01866	12.8
105.07040	11.4
107.08600	66.1
109.02888	18.2
109.10180	13.8
115.03912	4.1
119.08566	4.6
127.03915	23.8
135.11697	83.2
137.13246	32.8
145.04918	10.5
147.04323	5.3
153.12706	7.9
159.02919	7.0
167.07068	4.3
319.64896	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
53.03951	6.8
53.07096	3.1
55.01861	4.7
55.05516	15.2
57.03449	6.0
59.04996	9.0
61.02922	5.2
66.86087	2.9
67.05521	18.8
69.03438	17.1
69.07073	57.3
70.64137	9.8
71.04991	5.5
74.96751	2.9
79.05511	12.3
79.26128	3.1
81.03418	13.5
81.07063	24.6
83.04981	12.5
83.08633	3.3
84.40160	3.1
85.02905	40.6
85.06545	18.7
87.00832	20.9
90.19868	2.8
91.05499	24.0
93.07047	100.0
94.44831	3.1
95.04966	5.6
95.08615	54.7
97.02906	26.2
97.06540	26.2
99.04464	6.1
105.01868	41.9
105.07049	11.6
107.08603	81.4
109.02880	11.5
109.06479	3.5
109.10159	29.2
119.06010	3.1
119.08574	7.8
123.11700	7.2
127.03938	35.1
135.11699	83.3
138.69069	3.0
139.35724	3.3
140.66078	3.1
145.04996	21.4
148.74100	3.1
153.12761	34.1
159.02931	3.9
161.04385	3.1
183.06566	4.8
231.05026	9.2
342.86111	3.1
436.20303	4.7
437.10535	12.5
437.39975	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05521	0.3
57.03429	0.4
58.06609	0.6
63.02375	0.5
65.03941	0.4
69.03416	1.3
70.06568	0.3
71.04951	0.3
71.60252	0.5
73.02925	0.4
74.09690	0.7
79.05502	1.8
81.03406	0.4
82.99860	0.6
83.04975	0.6
84.04505	0.5
85.02912	1.8
89.03385	0.6
89.03917	10.4
90.52133	0.3
91.05439	0.7
95.04984	1.5
97.02877	1.0
98.97550	0.7
101.00862	2.5
101.50184	0.3
107.04951	3.1
109.02896	0.7
111.04414	0.7
113.00889	0.7
115.02428	0.4
116.98600	0.3
117.03386	12.8
117.04231	0.6
118.08654	2.5
119.01931	6.2
121.02851	1.6
123.54134	0.3
124.07574	0.3
127.02432	0.9
127.03906	0.7
131.01874	1.5
133.03464	0.8
135.04420	24.0
137.02954	1.1
138.05511	0.4
143.01894	2.1
145.02773	16.0
145.04742	0.6
151.03889	0.4
153.04012	0.4
155.01907	1.2
156.04283	0.3
157.03430	1.4
159.05016	0.3
161.02948	1.8
163.03906	100.0
164.04269	1.0
167.01884	0.9
167.07028	0.7
169.03473	4.5
171.01459	0.3
171.05049	1.4
171.06410	0.3
173.03017	1.9
174.99077	0.3
175.04486	0.8
176.07709	0.9
178.07356	0.5
185.00983	1.3
185.02968	3.8
186.05507	0.3
187.04539	4.2
189.06084	0.4
191.03986	0.3
193.03455	1.2
195.05061	0.6
197.03024	1.9
200.07739	0.8
201.06120	0.4
201.07814	0.3
202.07564	0.5
203.01926	2.2
203.04002	1.1
203.07605	0.5
205.05673	0.4
209.02945	1.1
211.04523	0.9
213.06006	0.7
215.03868	2.0
218.08662	0.3
220.08635	0.5
221.02965	38.7
222.03169	1.1
223.04924	0.3
227.03989	0.7
229.05554	2.2
235.04581	0.5
239.04034	6.7
243.04926	0.4
243.11885	0.5
244.04588	0.9
245.02930	0.8
245.05078	5.2
247.04512	1.1
247.06628	0.6
257.05026	3.2
259.04407	0.8
261.04526	0.5
263.03949	2.3
263.06140	0.4
271.04504	12.6
273.06137	1.8
275.06107	7.4
275.08823	0.5
277.05594	0.4
285.06104	0.5
287.04028	1.7
289.05539	4.3
291.07132	0.5
293.07196	1.0
295.04526	1.2
297.02582	0.5
297.06073	0.9
299.03961	3.5
303.06827	0.4
307.06631	1.1
313.05618	1.6
315.03604	0.9
315.07083	0.6
316.08774	0.4
317.05188	0.9
319.08228	0.3
319.15378	0.8
320.12659	0.4
320.15952	0.8
323.03677	0.6
323.09949	0.4
331.06668	4.2
333.04498	0.8
335.06024	0.4
341.05029	1.5
349.07672	4.9
351.05298	0.4
359.06137	3.6
367.08548	0.4
369.06763	0.6
377.07178	23.8
378.07315	0.8
391.08508	0.7
395.08200	3.4
401.07385	1.6
409.09726	0.5
418.09821	0.7
419.08185	4.5
437.09280	9.5
437.14435	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	437.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.91523	0.4
56.96554	0.6
59.22098	0.4
63.02373	0.6
67.05496	0.7
69.03429	1.4
70.06586	0.6
70.23142	0.4
71.58772	0.5
72.08127	0.5
73.02930	0.5
79.05480	2.2
83.04993	1.0
84.08134	0.8
85.02903	1.5
89.03922	11.3
95.04964	1.4
97.02899	1.0
98.21451	0.5
98.97623	0.6
101.00871	1.8
103.02437	0.5
105.02068	0.4
107.04956	3.4
115.02422	0.5
117.03383	12.5
118.08610	1.0
119.01938	6.4
119.04882	0.5
121.02854	0.7
127.02457	1.1
127.03889	0.7
131.01904	1.1
133.03548	0.7
135.04420	23.1
137.02977	1.1
143.01892	1.0
145.02782	15.4
146.06029	0.9
147.04385	0.6
152.05734	0.7
155.01883	1.2
157.03462	1.5
161.02975	1.2
163.03909	100.0
164.04269	1.5
167.01956	0.7
169.03470	4.7
171.01505	0.6
171.05078	0.9
172.07574	0.6
173.02965	1.2
174.24699	0.5
175.00813	0.8
175.04546	0.6
177.00917	1.2
184.07565	1.2
185.00957	1.3
185.02998	2.4
187.04553	3.6
193.03508	1.1
195.05031	1.0
197.02972	1.3
200.07115	1.1
201.00941	1.4
203.01976	2.8
203.03995	1.1
205.00334	0.5
209.03003	0.6
211.04536	0.7
214.70013	0.4
215.04033	1.3
219.01978	2.9
221.02968	38.8
221.04866	1.3
222.03244	0.7
228.06485	0.6
229.05702	1.9
239.04062	6.0
243.02066	2.1
245.03053	0.9
245.05161	1.6
255.02023	2.0
257.05093	1.8
259.04474	0.7
261.03091	1.0
263.04001	2.4
269.03537	0.5
271.04514	11.6
273.02908	0.6
273.06003	1.6
275.06082	6.0
275.08844	0.6
281.05264	0.9
285.03271	0.8
287.04007	1.7
289.05612	4.5
293.07205	1.1
295.04376	0.7
297.03070	1.0
297.06134	1.1
299.03940	3.7
313.05569	1.8
315.03787	0.7
315.07327	0.7
317.05026	1.0
323.03748	1.0
331.06738	4.6
340.16714	0.5
341.04886	1.0
349.07700	3.3
359.06107	3.2
377.07205	25.6
378.07278	0.6
395.08176	4.1
401.07098	1.8
419.08218	4.3
437.09293	8.0
437.14819	0.8
455.09113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01892	0.8
55.05504	2.5
57.01201	0.8
57.75620	0.9
65.10446	0.7
67.05485	1.9
69.03421	2.7
69.07053	1.2
69.49020	0.7
70.06594	1.8
71.60152	1.2
72.08162	77.4
73.02945	0.9
79.05498	1.4
81.03400	1.6
81.07035	2.7
84.08141	1.3
85.02902	1.7
85.06538	0.8
86.09700	1.0
89.22282	0.8
91.05489	1.8
93.07038	1.4
95.04950	1.5
95.08614	2.9
97.02911	1.4
97.06521	1.6
100.11288	0.9
105.07058	1.2
107.04910	1.2
107.08574	1.0
109.06504	1.3
109.10145	2.2
111.04485	0.9
111.33376	0.7
119.08558	1.5
120.04466	3.4
121.04816	2.4
121.06455	1.0
121.10158	1.5
127.03906	1.2
131.04945	2.6
132.05721	1.4
133.10120	1.0
137.05971	1.7
140.10658	1.0
143.08548	0.9
144.04462	0.9
145.06560	0.9
145.10115	1.3
147.04369	1.4
149.06012	1.0
153.66640	0.9
160.05167	0.8
167.07091	2.3
169.62975	0.7
177.05528	2.2
181.04977	1.8
182.15433	1.5
191.07019	1.9
192.07828	4.4
192.99915	0.8
210.15083	1.0
219.80753	0.9
222.06677	1.3
235.07475	1.2
250.06317	2.2
258.11224	1.2
259.03943	1.4
260.07047	1.5
261.05447	1.1
263.07059	3.6
266.05676	1.0
275.13843	1.1
278.05774	2.8
279.02963	2.7
279.06332	1.7
282.05151	2.5
288.06445	2.6
290.05609	2.9
291.06491	4.6
292.07187	1.7
293.07889	1.0
305.06927	1.7
306.05215	16.3
307.05899	2.1
308.06799	0.9
310.04770	1.4
316.06189	5.0
317.04507	1.0
318.05093	12.2
319.05963	2.5
321.07642	7.3
322.04678	3.1
323.09064	2.1
333.06366	1.2
334.07434	1.8
335.05371	1.4
335.09027	1.2
336.06198	2.1
346.07104	5.5
348.08752	5.3
349.07092	23.8
351.08444	1.0
362.06735	3.8
363.07263	2.1
366.09781	8.5
367.07999	4.6
378.09760	91.4
379.10117	2.6
394.26843	2.6
419.15982	1.4
420.14456	100.0
421.14578	1.9
437.17053	70.9
438.17383	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	437.3417
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.05512	4.6
57.07079	2.3
61.78745	1.1
63.79694	1.2
67.05508	7.6
69.03426	2.2
69.07059	9.9
70.41377	1.5
70.41740	4.5
78.50330	1.2
79.05489	4.8
79.13828	1.1
81.07066	17.1
83.08617	4.6
89.06048	2.7
91.05466	4.1
93.05685	1.1
93.07052	11.9
95.04978	1.5
95.08618	27.1
97.10175	2.3
103.51195	1.3
105.06406	1.5
105.07020	9.4
107.08595	13.8
109.06514	3.0
109.10174	12.2
111.11709	1.7
113.84375	1.2
117.07049	2.5
117.90233	1.2
119.08608	10.5
121.06515	1.1
121.10156	13.3
122.07355	1.3
123.08088	2.2
123.11737	7.3
131.08571	5.6
133.06522	1.5
133.08630	1.4
133.10127	10.5
135.08080	7.7
135.11656	7.7
137.09612	6.7
137.13254	6.0
143.08534	2.1
145.10132	9.1
147.08067	2.0
147.11673	5.5
149.09608	15.2
149.13268	3.0
154.05774	1.6
157.10130	4.2
159.08136	1.3
159.11696	7.0
161.09639	3.4
161.13298	4.0
163.11217	4.6
163.14848	2.4
169.10152	1.9
171.11731	4.5
173.09663	1.6
173.13319	4.5
175.11191	3.3
175.14813	2.6
177.12767	2.5
177.16371	1.7
180.60091	1.4
183.11772	1.4
185.13251	2.5
187.11261	2.3
187.14822	5.0
189.11218	1.5
189.12788	4.3
189.16338	2.5
191.17987	2.5
193.10262	1.3
197.13263	2.3
199.11272	1.3
199.14854	3.4
201.12582	1.4
201.16463	2.2
205.19548	1.8
211.14937	2.6
213.12769	1.5
213.16400	2.1
215.18057	2.1
225.12939	1.5
229.19571	1.3
243.21164	2.5
245.22667	3.1
255.21053	1.4
263.18030	1.4
281.19312	1.5
283.24506	1.3
285.18546	1.9
401.32095	2.1
401.49933	1.2
419.33307	6.0
419.39053	1.3
437.34238	100.0
438.34409	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	437.3415
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.05504	1.2
55.42348	0.4
57.07084	0.9
57.61774	0.3
67.05511	2.1
69.03419	0.7
69.07076	2.7
70.73020	1.4
79.05496	0.9
81.07053	4.8
83.08613	1.7
89.06024	0.8
91.05472	1.3
93.07053	1.9
95.04930	0.6
95.08601	6.6
97.06522	0.6
97.10179	0.9
105.07038	2.3
107.08606	2.9
109.06509	0.9
109.10152	4.0
111.11689	0.5
117.07077	0.5
119.08584	3.6
121.10162	3.3
123.11700	1.7
131.08565	2.4
133.08600	0.4
133.10139	2.6
135.11691	1.7
137.09607	1.0
137.13254	1.1
143.08563	1.3
145.10126	3.7
147.08002	0.6
147.11690	1.3
149.09636	1.1
149.13269	1.1
157.10139	1.8
159.08086	0.6
159.11700	2.7
161.09595	1.3
161.13289	1.4
163.14825	1.0
165.12741	0.4
169.10141	0.5
171.11726	1.4
173.09642	0.5
173.13260	4.6
175.14850	1.0
185.13266	1.4
187.14766	2.4
189.12666	0.5
189.16425	0.8
191.14369	0.7
191.18019	0.8
195.11818	0.5
197.13286	0.9
199.11198	0.4
199.14821	1.0
201.16356	0.6
209.13289	0.5
213.12651	2.0
213.16301	0.6
215.14302	1.5
215.17908	0.7
223.14716	0.6
227.14359	0.6
231.13818	1.0
233.15414	0.8
239.14845	0.6
244.58815	0.4
270.35220	0.4
299.94067	0.5
395.33234	0.9
401.31946	0.5
419.33188	2.4
419.38467	0.5
437.34177	100.0
438.34558	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35563	2.3
55.05503	7.4
57.07087	5.6
67.05507	13.4
69.07080	19.5
70.64117	5.6
70.64494	4.8
71.04999	34.5
71.08641	3.1
79.05488	2.5
80.13456	2.4
81.07070	29.4
83.08611	10.5
89.06027	24.9
91.05491	4.9
93.07043	9.0
95.08617	58.7
97.10166	11.3
105.07050	5.8
107.08586	16.8
109.10167	66.5
111.11753	5.9
119.08574	4.2
121.10162	26.3
123.11727	26.5
129.07079	2.7
131.08548	15.7
133.10152	8.0
135.11708	21.7
137.13272	27.3
142.07800	5.0
143.08545	15.5
145.10115	18.0
147.11658	4.9
149.13255	17.4
155.08557	5.1
156.09352	4.7
157.10139	23.6
159.11693	7.9
161.13342	3.1
163.14806	6.8
169.10172	11.7
171.11700	44.3
172.08876	6.3
173.09650	10.4
173.13326	9.9
176.58325	2.9
179.08557	2.6
183.11681	15.0
185.13303	8.7
187.14906	2.6
195.11722	14.0
197.13260	18.6
199.14798	13.8
203.18001	14.4
205.19536	97.4
209.13321	4.8
211.14845	31.3
213.16382	6.4
217.12234	20.2
217.15866	2.9
223.14885	3.2
225.16397	6.7
241.15970	5.6
253.19554	2.5
259.16876	11.7
259.40491	2.6
267.17487	4.0
269.19009	4.2
281.18890	16.6
295.42694	2.7
347.27597	4.0
349.28928	42.9
351.26691	10.6
419.33051	27.0
419.38831	6.5
437.20721	2.7
437.34189	100.0
438.35284	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	437.3416
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.05503	3.9
57.07080	1.4
65.26883	1.1
67.05501	7.1
69.03409	1.0
69.07071	6.5
69.87683	4.6
71.04998	1.1
76.32426	0.8
79.05495	3.3
81.07060	11.9
83.04987	1.3
83.08627	3.3
89.06022	1.6
91.05476	3.1
93.07057	8.3
95.04987	1.7
95.08614	17.0
97.10172	2.2
98.21412	1.0
105.07034	5.6
105.41251	0.9
106.67266	0.9
107.08605	9.4
109.06528	1.3
109.10157	11.2
111.08086	1.7
117.07047	1.4
119.08581	8.6
121.06486	1.7
121.10148	8.4
122.24103	0.9
123.08071	1.3
123.11691	4.4
127.15289	1.0
131.08575	4.0
133.10133	6.3
135.08055	2.4
135.11691	4.1
137.13269	3.1
143.08571	3.4
145.10124	7.0
147.08041	1.8
147.11687	4.2
149.09686	1.3
149.13252	6.4
153.05437	1.3
155.08594	1.5
157.10149	5.2
159.08034	1.2
159.11658	4.5
161.09602	1.4
161.13293	1.5
163.07579	0.9
163.14824	1.7
169.10155	2.3
171.11726	3.0
173.09637	1.3
173.13242	4.5
175.11177	1.6
175.14908	2.9
177.16440	1.3
183.11740	1.8
185.13313	2.4
187.14833	3.3
189.12875	1.3
189.16524	1.8
191.14316	2.7
191.17992	2.4
197.13277	2.1
199.14888	2.0
201.12747	1.3
201.16385	2.0
203.14337	1.4
211.14922	2.2
213.12746	1.9
213.16313	1.8
215.14288	1.5
215.18002	2.4
219.17375	1.3
223.14713	1.2
225.16376	1.4
229.19456	1.0
231.13849	2.3
239.17912	1.7
241.19643	1.3
253.19539	1.2
259.20685	1.9
263.17853	1.2
273.57147	1.0
283.20795	1.3
299.20126	1.9
379.29984	2.0
401.31509	1.0
409.34967	1.6
419.32974	10.2
437.34222	100.0
438.34518	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01650	2.0
52.61743	2.1
53.03947	5.4
55.01886	5.0
55.05507	2.4
56.96563	2.3
57.03431	5.9
58.96006	1.9
61.02931	4.5
65.26057	1.9
67.04365	1.8
67.05511	5.2
68.99786	3.4
69.03434	22.2
69.07068	3.7
70.06561	3.2
71.04998	4.6
71.27306	4.2
73.02921	6.7
79.05495	5.6
81.03422	18.4
81.07059	7.9
85.02917	45.9
85.06514	3.1
87.00844	16.6
91.05480	6.9
93.07050	6.0
95.04951	2.5
95.08611	6.9
97.02906	24.5
98.97598	2.8
99.04460	7.3
105.01860	9.5
105.07052	4.5
107.08604	4.6
109.02886	19.0
109.10160	2.4
117.05774	3.4
117.07026	4.0
118.06542	20.6
119.08577	4.0
121.06512	3.5
121.10198	3.4
123.08190	2.6
124.07616	2.5
127.03933	24.5
129.01852	3.6
129.07027	13.5
130.06546	100.0
131.08559	2.4
132.08118	13.0
133.06497	3.7
133.10126	2.8
143.07329	11.3
144.08101	89.5
145.02837	2.1
145.04964	9.2
145.10179	3.5
146.06062	2.8
147.04425	4.4
154.06531	5.3
155.07318	4.6
156.08125	29.0
158.06030	10.2
158.09669	18.0
159.02888	7.8
160.07605	24.3
167.07318	7.6
168.08105	35.9
170.06023	25.1
171.06801	4.6
172.07597	60.1
174.09163	11.4
177.05443	3.3
180.08061	4.0
182.09538	4.5
184.07573	16.3
186.09172	28.5
190.08664	38.7
196.07556	11.7
197.13634	2.1
198.09253	2.5
202.08676	10.7
206.09714	2.6
207.06555	2.9
208.07408	2.0
210.09120	6.4
210.35420	2.3
214.08647	37.6
220.07768	2.7
224.07138	3.8
225.07983	4.1
226.08636	5.8
231.05032	3.9
232.09711	87.8
238.08688	7.0
250.08466	2.5
252.10178	3.4
256.09747	3.8
280.09717	9.6
281.63184	2.3
298.10757	19.7
322.95874	2.3
355.14185	2.4
402.11893	18.2
420.12744	9.9
428.73691	3.0
438.20978	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	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45377	1.8
55.01870	4.5
56.05030	8.9
56.96574	2.7
58.99595	14.8
61.01155	3.1
64.50597	1.9
67.05491	3.0
68.05026	6.7
69.03446	3.5
69.07079	2.4
70.02952	7.2
70.06593	5.0
70.07848	9.3
71.04997	2.4
72.04511	5.3
72.08154	2.3
73.01142	2.3
73.02941	2.3
74.00656	11.9
74.02419	2.1
74.09754	1.9
75.01430	2.4
76.02233	24.5
76.04009	7.3
79.05493	2.9
80.05019	7.7
81.05771	3.7
81.07040	2.8
81.46107	2.3
83.06097	5.8
84.04510	100.0
84.08122	2.2
85.01143	35.9
85.02914	9.2
85.04028	5.5
85.51226	1.9
86.00665	34.4
86.99065	61.5
87.02692	3.3
88.02202	3.7
89.00620	2.9
93.44855	1.9
95.04980	4.3
95.08633	2.6
96.04475	4.8
97.01125	5.1
97.06537	19.2
98.00641	5.5
98.20725	2.2
98.97575	2.6
99.02721	2.4
99.05567	4.6
100.02197	4.3
102.00105	2.8
102.03764	21.2
102.05568	15.8
103.31703	1.9
104.77312	1.9
108.04484	2.6
109.07642	3.6
112.02204	31.9
112.03951	2.7
113.05966	2.2
114.03781	13.1
114.05592	2.4
116.01698	24.7
120.08073	2.1
124.02177	1.9
124.07627	2.5
126.03748	4.2
126.05544	2.4
127.02156	6.7
127.03928	3.6
128.07089	2.1
129.06598	4.6
130.03255	17.2
130.05013	34.2
132.01193	2.8
137.06012	2.9
137.08348	4.5
138.42328	2.0
139.03888	4.0
140.01659	2.4
142.03246	17.8
143.02750	30.6
144.01147	6.3
145.06071	4.7
153.06630	2.5
154.06152	3.6
155.08168	8.1
156.06573	2.4
158.02722	5.8
162.02211	11.6
163.03905	6.3
168.04832	3.9
168.06544	2.9
169.04292	9.3
170.02705	3.3
170.06395	10.1
171.02252	6.5
173.09206	3.5
177.03316	8.4
179.04872	10.4
185.03850	2.4
188.03818	5.5
188.07431	8.0
189.03299	94.1
196.04355	10.4
205.06415	6.5
206.08517	4.4
211.07220	2.4
215.04878	45.2
217.06450	10.5
219.01620	2.1
223.13292	2.2
224.03758	4.3
231.04485	2.9
233.05946	14.0
237.02875	3.3
257.09753	4.2
259.07599	4.2
269.05945	3.9
287.06952	18.1
291.10129	30.6
299.06827	2.6
308.09103	2.6
345.07571	5.2
345.11395	3.2
362.10190	4.8
380.73407	2.3
438.10022	2.5
438.15372	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
55.05512	3.9
57.03439	22.5
61.02928	9.5
64.44009	1.4
65.03951	2.7
67.05507	92.8
68.82616	1.5
69.03433	20.1
69.07067	3.2
70.06587	7.9
70.76659	3.3
71.01361	2.5
71.04984	2.8
72.08160	1.9
73.02919	50.5
79.05482	4.6
81.03422	6.4
81.07063	16.7
83.26159	1.3
84.08167	1.9
85.02906	41.9
86.09706	3.3
87.04479	4.0
91.05475	4.3
93.07050	3.1
95.04980	2.4
95.08602	5.7
97.02898	40.6
97.06618	1.4
98.97596	2.1
99.04477	2.4
103.03931	1.8
105.07041	4.2
107.04953	1.7
107.08612	5.6
109.02887	6.4
109.10160	100.0
110.10516	1.4
111.04460	2.1
115.03947	27.3
119.04929	1.5
119.08630	2.1
121.06505	1.8
121.10123	2.2
124.16203	1.5
126.65497	1.5
127.03910	13.3
131.08594	1.7
132.06635	1.8
133.04999	8.9
133.06514	1.6
133.10135	2.0
134.92929	1.4
144.06590	1.5
145.04968	17.0
145.10101	2.0
147.04381	1.7
150.07683	4.2
152.05678	2.2
152.72083	1.6
159.11749	1.9
163.06042	6.2
177.05557	1.5
184.07530	1.7
193.12154	1.5
197.45276	1.6
207.06470	1.6
223.05997	3.3
241.07123	4.7
259.08188	3.3
263.08109	1.9
264.08286	2.8
274.12119	2.2
364.12259	4.9
379.10132	2.1
421.14868	2.6
438.15955	6.5
438.21829	2.1
439.17087	2.5
439.23083	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	438.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.3
55.05499	12.4
57.03430	9.3
57.07065	7.7
62.06084	31.9
67.05511	28.5
67.23251	4.2
69.07073	24.9
71.59724	6.5
79.05486	16.2
81.07050	23.9
83.08605	16.1
91.05470	9.8
93.07041	17.5
95.08624	23.3
97.06525	18.1
97.10163	7.5
98.98453	11.3
105.07026	6.8
107.08589	18.4
109.10160	13.1
111.08081	5.4
119.08556	6.2
121.10150	13.1
123.11702	5.7
129.05458	12.4
129.06940	4.6
133.10114	4.7
135.11668	14.3
142.02585	4.6
145.10107	4.9
149.05959	6.9
155.01004	6.8
159.11723	4.9
162.12277	3.9
166.66963	4.1
191.25961	4.6
205.19536	10.3
223.20599	9.8
230.64301	4.3
245.77913	4.4
255.73633	4.3
266.24756	17.3
297.20877	6.4
297.24231	100.0
297.27429	8.9
438.19595	10.1
438.31070	7.2
439.32068	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	439.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69392	1.0
53.03930	2.3
55.01855	3.2
55.18484	1.1
56.96568	1.2
57.03419	3.4
60.04522	1.6
61.02916	4.2
65.03929	1.2
67.05489	1.6
69.03109	1.4
69.03429	13.7
70.06596	6.3
71.04971	1.2
71.59512	1.8
72.08138	3.1
73.02914	4.3
74.02442	1.5
74.06046	1.4
74.34770	1.0
78.98762	1.0
79.05489	1.2
81.03421	6.5
83.04980	1.6
84.04501	3.9
84.08163	6.3
85.02422	1.6
85.02908	27.8
86.06059	1.7
86.09710	2.8
87.04459	4.2
90.05544	2.3
91.05473	3.2
93.07011	1.4
95.04955	2.4
95.06053	1.7
97.02895	11.3
98.97591	2.8
99.04450	2.6
100.62520	1.2
101.02364	1.2
102.05555	1.3
105.07089	1.4
107.04984	1.6
109.02853	4.1
110.07188	2.1
117.03370	2.0
118.06519	3.3
118.08646	1.5
119.04948	2.4
127.03967	5.8
130.04996	1.5
130.06523	18.9
131.11775	3.5
132.04434	3.9
132.08057	3.2
135.04396	1.6
136.07503	1.3
138.05467	3.0
143.07288	2.6
144.08090	12.8
145.02766	1.7
145.04945	4.1
146.06010	22.9
146.09271	1.3
147.04404	10.4
148.06105	2.2
151.03935	1.4
154.06496	3.3
156.08069	6.3
158.06018	1.1
158.09666	18.5
160.07600	18.2
163.03934	6.9
167.07251	3.3
168.08095	46.2
170.05981	3.2
170.09604	3.2
171.06801	1.2
172.07576	7.7
174.22105	1.1
177.00687	1.2
177.05508	2.0
177.10194	1.6
180.08051	3.1
182.05960	3.2
183.09106	3.4
184.07584	3.0
186.09149	82.3
188.07085	15.9
195.09181	23.0
196.07489	6.1
197.10794	2.1
213.10245	4.0
214.05301	1.7
214.08627	3.4
224.07040	4.7
229.09752	3.4
231.11263	3.1
241.09747	26.8
242.08092	17.9
259.08133	1.9
259.10806	29.2
260.05804	1.9
275.10721	1.5
277.11844	100.0
278.05917	1.5
278.12253	3.2
307.06143	1.6
325.07275	1.3
371.92349	1.3
422.14633	1.9
439.11188	1.8
439.16919	12.6
439.22708	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	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
54.28462	2.7
55.05508	9.9
56.05029	3.3
56.96560	5.5
57.03425	6.0
57.06818	3.5
57.07077	40.9
57.95264	2.7
67.05515	18.7
69.03420	12.7
69.07079	14.4
70.06594	15.4
71.05002	4.1
71.61008	5.6
72.08154	12.4
73.06544	10.4
79.05484	7.9
81.03415	12.9
81.07063	38.3
84.04490	4.7
84.08136	11.2
85.02908	19.0
85.06545	100.0
86.09705	11.4
91.05489	8.0
93.07041	7.3
95.04984	5.1
95.08610	25.3
97.02867	6.9
97.06514	2.9
97.10149	4.1
97.68449	2.9
98.97558	5.8
99.04421	3.0
99.08105	24.0
105.07079	6.6
107.04976	3.3
109.02864	6.5
109.10158	6.1
110.07133	4.8
117.03410	3.4
119.04958	6.9
119.08577	3.8
120.08118	5.7
121.02850	5.8
123.11691	3.1
127.03885	7.5
129.10187	3.4
134.83664	3.2
136.06180	31.1
137.06647	4.3
137.13269	22.5
145.02844	5.4
147.04431	23.6
148.04732	6.8
149.09711	3.0
155.14323	68.8
173.15427	17.3
177.05493	6.4
191.07108	8.5
191.16425	37.3
201.05321	24.8
204.10213	8.6
205.10501	5.4
237.02872	4.0
246.09457	3.3
256.06055	17.7
292.08566	3.3
294.05023	3.6
295.05936	3.7
307.05933	3.4
308.06842	4.1
323.05594	5.8
323.09177	12.3
325.07153	10.2
332.49225	3.9
337.07120	13.3
339.08655	3.4
349.07092	3.4
351.08624	4.1
377.06293	4.8
391.07822	4.0
392.76541	3.4
421.09241	4.0
422.16095	7.6
439.10275	23.6
439.19174	18.1
439.24307	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	439.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.9
56.96569	4.4
57.03439	4.5
57.07082	35.2
62.43779	3.6
67.05503	14.8
69.03438	8.7
69.07072	15.0
69.99335	6.2
69.99720	8.0
70.06598	14.7
71.04966	4.1
72.08160	22.4
73.06550	8.0
79.05484	7.4
81.03421	10.9
81.07056	42.1
83.04997	5.5
83.08633	4.1
84.08129	5.3
85.02906	15.2
85.06544	100.0
86.09701	12.1
87.00854	4.4
91.05490	7.5
93.07059	4.2
95.08607	26.0
97.10155	6.1
98.97594	5.1
99.08116	22.8
103.03945	4.7
105.01897	4.1
109.02905	4.5
109.10156	9.3
119.04947	5.4
120.13227	3.4
121.10164	4.4
127.03911	8.5
127.08624	3.2
129.10226	4.0
129.26944	4.2
133.10167	4.9
136.06177	27.1
137.05815	4.3
137.06602	6.8
137.13275	29.0
145.02831	5.7
147.04417	20.1
148.04813	10.4
155.14322	76.3
173.15381	20.6
177.05478	5.0
191.06989	5.1
191.16406	53.9
201.05359	39.1
204.10120	5.9
205.10561	6.8
216.00574	3.4
224.14102	3.5
235.07681	5.2
256.06058	34.9
263.06934	7.2
281.10419	4.5
291.06473	8.8
295.06122	4.4
298.10776	8.6
307.06104	4.3
323.09042	23.3
325.07083	8.6
337.07178	5.4
422.15964	18.0
439.10025	8.1
439.18680	54.5
439.23975	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	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.90332	0.3
55.01874	0.5
55.05510	0.7
57.03440	0.5
63.51923	0.4
65.46807	0.4
67.05505	0.7
69.03425	0.6
69.07063	0.6
71.05014	0.4
71.60925	0.6
73.05461	0.4
77.01241	0.4
79.05489	0.9
81.03407	1.0
81.07050	1.4
85.02904	0.6
86.09692	0.5
91.05485	1.0
93.07027	1.2
95.04948	0.4
95.08612	1.3
97.02874	0.6
97.06544	0.8
103.05480	0.5
105.07030	1.2
107.08590	0.8
108.22091	0.3
109.02889	0.4
109.10165	1.0
111.08115	0.4
117.06953	0.4
119.08585	1.4
121.10155	1.1
123.11686	0.4
133.10129	0.7
135.11725	0.4
137.05974	0.6
137.09625	0.7
140.68002	0.4
145.10146	0.5
147.11789	0.3
149.02402	0.4
149.09561	0.6
151.03862	0.4
161.06026	0.5
161.09648	0.4
163.14771	0.4
165.09117	2.5
177.05476	0.4
189.16385	0.4
191.14238	0.5
201.03723	0.8
203.05309	0.8
261.18323	1.2
367.17279	2.4
395.16595	0.7
421.22177	0.5
439.23080	100.0
440.23361	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	17.4
55.05496	34.4
56.96553	26.3
57.03420	16.6
61.02919	14.7
63.37940	10.2
67.05508	95.4
69.03420	34.2
69.07053	43.0
69.47614	20.8
69.48027	63.6
79.05494	74.8
81.03420	27.2
81.06631	10.6
81.07057	99.1
83.04980	16.0
83.08622	25.8
85.02915	58.2
88.18449	9.5
91.05463	60.8
93.07040	100.0
95.04967	19.0
95.08611	55.2
97.02892	23.7
97.06495	15.4
97.78374	9.3
98.97602	12.8
99.04430	11.6
104.10697	11.2
105.07005	82.1
107.08608	69.3
109.02905	15.1
109.06506	18.6
109.10128	48.6
110.97579	10.1
111.08051	17.7
117.06992	34.9
119.08595	62.0
121.10137	63.4
123.11700	13.8
125.09592	11.1
127.03914	22.7
129.07063	9.9
131.08556	38.3
133.10110	56.5
135.11696	46.4
142.07843	10.8
143.08536	22.2
145.04915	12.1
145.10118	59.2
147.11655	30.6
149.02351	14.0
149.09558	12.0
149.13271	19.4
155.08568	17.2
157.10101	19.4
159.11682	39.2
161.09636	10.9
161.13246	20.4
162.38562	9.5
163.11278	12.0
169.10173	13.7
171.11723	19.8
173.13268	20.5
183.11676	15.0
185.13210	15.2
187.14909	13.3
189.16443	11.4
193.04947	31.0
194.05301	31.5
208.66090	9.8
213.16353	9.8
229.33655	9.1
251.09755	10.5
256.17358	9.3
259.20639	13.1
269.10571	16.8
275.19916	19.9
277.21509	56.9
284.12738	27.7
287.20230	12.7
300.57681	9.6
301.21606	12.3
349.17126	12.2
403.24857	16.8
420.30759	10.5
421.25742	29.4
439.27728	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.3
58.06600	4.9
59.07387	3.5
70.06591	0.7
70.49158	0.7
71.59555	0.2
72.08163	5.3
81.03433	0.2
84.04525	0.2
84.08152	0.5
85.02909	0.4
91.78136	0.2
97.02910	0.3
97.06523	0.2
98.06079	0.3
98.97588	0.5
100.07653	1.1
112.11238	0.4
113.07149	0.5
117.03380	0.3
118.08662	100.0
119.09013	0.6
121.14188	0.2
123.48267	0.2
129.13914	0.3
136.06195	0.5
136.64085	0.2
137.05960	0.4
140.07085	0.8
145.02852	2.6
146.05998	0.6
147.04417	0.5
155.11803	2.4
163.03958	0.7
171.14963	0.3
172.14427	0.3
173.07230	0.3
174.05513	0.2
177.05495	5.1
191.08047	0.2
191.09634	0.2
206.11807	1.1
211.09154	0.3
215.34784	0.2
219.01776	0.3
234.11267	4.6
246.65128	0.2
251.13878	0.4
283.31262	0.3
305.18546	1.1
309.85358	0.2
322.21268	12.0
372.16156	0.2
439.12701	0.3
439.20911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16465	2.0
55.01842	2.7
55.05499	12.2
57.07068	4.2
67.05502	19.1
69.07080	18.3
71.04958	3.9
79.05499	16.0
80.64086	2.0
81.07059	35.9
83.04937	4.4
83.08575	9.6
85.02866	5.5
85.06510	4.3
91.05467	13.8
93.07043	30.4
95.04945	3.9
95.08614	50.1
97.06483	5.5
97.10153	2.9
99.08051	6.0
101.05981	10.3
104.80531	2.4
105.07037	25.4
107.04976	2.3
107.08601	36.0
109.06499	5.1
109.10157	30.9
111.08034	5.0
117.06982	5.4
119.08584	59.0
121.06436	3.0
121.10158	31.2
123.08002	8.0
123.11728	12.4
125.09572	3.2
127.11183	2.3
131.08580	16.8
133.10133	46.2
135.07976	9.2
135.11690	15.2
137.09526	4.0
137.13199	2.6
143.08470	9.2
144.09225	3.2
145.10165	21.3
147.07977	3.0
147.11694	24.2
149.09518	5.5
149.13252	12.5
149.44972	2.2
151.07498	5.3
151.11113	5.3
156.09270	2.3
157.10129	12.8
159.11696	24.0
161.09558	4.0
161.13280	14.4
163.11133	11.3
163.14731	8.2
165.12656	3.1
169.10019	6.4
171.11584	8.0
173.13263	15.3
175.11139	5.2
175.14679	8.7
177.12758	11.1
177.16315	2.4
179.14204	2.5
182.10678	2.9
183.11621	4.1
185.13110	8.5
187.11113	5.2
187.14841	15.9
189.12720	4.9
189.16368	11.3
191.14194	9.5
191.17828	3.4
193.15721	2.7
197.13162	4.9
199.14761	10.4
201.12669	5.8
201.16289	8.7
203.14255	3.6
203.17879	5.7
205.12016	2.8
205.15866	32.1
207.17293	6.7
209.13132	2.7
213.16267	6.4
215.14168	7.8
215.17804	2.7
217.15761	6.0
219.13687	5.4
219.17377	4.0
225.16252	4.2
227.17735	4.2
229.15738	5.0
233.15190	7.5
245.18675	3.0
251.17795	4.7
255.20885	2.4
259.20667	2.6
269.18875	3.4
279.24118	2.3
283.20343	2.4
287.19836	3.7
295.20419	3.4
321.25677	4.2
339.26804	18.0
391.10324	2.4
395.29077	3.6
403.29535	7.0
421.30234	15.8
421.35635	3.2
439.31604	100.0
440.31912	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.81456	0.6
55.01857	0.6
55.05516	5.6
57.07069	1.9
59.04992	1.3
63.48508	0.5
67.05508	9.4
69.03428	2.4
69.07072	6.7
70.06556	0.6
71.05003	0.8
71.08637	1.2
71.44527	1.3
75.95886	0.6
79.05489	3.3
81.07057	12.7
83.04993	3.3
83.08623	3.0
86.09701	1.5
88.41328	0.6
89.06023	2.1
91.05474	3.6
93.07060	8.7
95.04961	2.1
95.08611	64.3
96.08942	0.7
97.06540	1.6
97.10185	1.7
99.08098	0.7
99.45636	0.6
105.07037	6.8
107.08598	11.5
109.06496	3.7
109.10155	13.5
111.08079	1.2
111.11716	1.7
117.07005	1.1
119.08586	10.6
121.06537	1.4
121.10157	12.5
123.08066	4.2
123.11720	4.9
125.09627	1.0
128.88902	0.6
129.07034	0.6
131.08571	3.2
131.95291	0.7
133.08638	1.1
133.10139	11.2
135.08073	3.0
135.11693	8.1
137.09631	1.8
137.13254	3.8
143.08592	1.7
145.10143	4.8
147.08067	1.2
147.11696	5.4
149.09636	8.5
149.13261	3.9
151.07578	0.8
151.11186	1.4
155.08559	0.7
156.09315	0.6
157.10141	2.6
159.08047	1.3
159.11678	4.7
161.09644	2.1
161.13347	3.3
163.11191	2.7
163.14813	2.0
165.12747	0.8
167.14337	0.6
169.10207	0.7
169.25964	0.6
171.11731	1.8
173.09627	1.3
173.13269	3.7
175.11227	1.9
175.14842	3.8
177.12798	1.8
177.16417	1.8
183.11703	1.4
185.13266	1.7
187.11206	0.7
187.14842	3.1
189.12779	1.4
189.16394	6.1
191.14313	0.9
191.17938	4.3
193.16159	0.6
196.12468	0.7
197.13301	0.9
199.14868	1.5
201.12813	1.0
201.16486	1.0
201.77643	0.5
203.14360	0.9
203.18040	2.2
205.15926	1.1
205.19554	1.6
207.17477	1.8
211.14763	1.0
213.12851	0.6
213.16382	1.8
215.14386	1.8
215.17885	2.9
217.15897	3.0
217.19598	0.7
219.17435	0.7
221.15366	0.7
225.16484	0.7
227.17978	1.3
229.15811	1.0
229.19498	1.1
231.17458	2.2
233.15598	1.5
233.19023	1.4
235.16936	1.0
237.16537	0.6
239.14993	1.0
240.15248	1.2
241.19499	0.8
243.17470	1.7
243.21075	1.3
257.19281	0.7
257.22546	1.0
261.18573	0.8
265.19733	0.7
268.11722	0.6
269.22562	0.7
283.20462	1.3
285.22214	0.7
287.23700	2.2
295.24432	0.7
301.21677	1.5
313.25388	1.2
327.26886	4.6
332.74768	0.7
349.28979	0.7
357.28049	1.0
381.31378	1.7
393.31351	1.4
403.33527	2.1
411.36285	0.8
421.34689	34.8
422.35220	1.1
439.35770	100.0
440.36118	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3575
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05514	9.7
57.03453	2.0
57.07084	5.8
59.05013	1.9
60.45332	1.7
67.05518	18.5
69.07071	26.4
71.08635	2.0
79.05491	10.3
81.07064	31.6
82.73402	1.5
83.08627	8.2
85.06553	2.6
89.06055	7.0
90.06391	1.8
91.05467	10.0
93.07047	24.5
93.07538	2.5
95.04984	3.3
95.08608	44.4
96.69446	1.7
97.10186	3.2
105.07031	18.9
107.08603	42.3
109.06564	2.5
109.10168	32.0
111.08082	8.3
111.11758	6.6
117.07053	3.9
119.08598	21.3
121.06564	2.9
121.10149	36.9
123.08126	5.1
123.11723	36.7
131.08598	11.1
133.08620	3.6
133.10136	20.5
135.08124	3.2
135.11687	15.1
137.09697	2.7
137.13303	7.5
143.08609	7.6
145.10146	19.5
147.11710	17.0
149.09682	5.1
149.13243	8.5
151.11252	2.0
151.14886	6.9
156.09467	2.6
157.10135	13.4
159.11711	17.0
161.09535	1.8
161.13278	10.9
163.11227	5.1
163.14867	10.2
165.09137	2.4
165.12767	2.3
169.10184	3.4
170.10950	1.9
171.11690	8.7
173.13260	15.9
175.14890	6.4
177.12746	2.9
177.16426	10.2
179.14452	1.8
181.15930	4.1
183.11775	5.8
185.13232	10.1
187.14896	9.9
189.12782	4.8
189.16444	6.5
191.18022	4.9
197.13385	7.5
199.14885	5.4
201.16443	15.1
203.14381	2.1
203.18053	4.5
205.15936	2.0
209.13083	1.5
211.14952	5.0
212.15703	2.6
212.43042	1.8
213.16422	2.4
215.18088	6.7
217.15916	3.2
217.19504	3.1
219.17508	3.8
221.19112	2.4
223.14948	2.4
225.16512	5.7
227.17931	11.7
229.15878	2.5
231.17567	1.9
231.21175	2.7
233.19151	2.1
237.16464	2.1
239.14989	3.5
239.18044	3.3
240.15289	2.2
241.19643	2.8
243.17487	2.9
243.21199	1.8
245.18996	8.2
251.17931	3.1
253.19612	2.9
255.21077	3.5
265.19672	7.1
269.19159	2.2
271.20914	1.9
283.20715	6.6
297.22208	2.9
301.21823	2.8
309.25943	3.0
311.23972	1.9
311.27496	2.6
313.25317	1.8
327.27081	8.5
329.24756	1.8
351.26935	2.0
365.28528	1.9
403.29218	1.9
403.33557	10.5
421.34793	51.4
421.40222	2.9
422.35287	4.7
439.35986	100.0
440.36313	5.3
441.82782	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05508	11.2
57.06797	2.5
57.07068	8.9
60.36340	2.8
65.03948	2.6
67.05500	27.9
68.42695	2.6
69.07069	32.7
70.77106	2.7
70.77439	7.3
71.05016	4.4
71.08623	4.2
79.05485	17.8
80.16367	2.4
81.07056	50.5
83.04967	4.8
83.08618	11.1
87.04469	7.3
89.06037	8.5
91.05496	12.5
93.07050	34.0
95.04984	5.4
95.08606	100.0
97.10180	10.2
105.07034	35.8
107.08595	56.1
109.10151	61.0
111.08125	7.5
111.11706	14.6
117.07026	6.7
119.08578	53.3
121.06536	3.9
121.10148	55.9
123.08031	4.0
123.11707	33.5
131.08597	14.4
133.08594	4.4
133.10123	32.9
135.08078	5.8
135.11711	25.6
137.13264	20.8
142.07813	3.8
143.08601	9.5
144.09357	2.7
145.10121	31.6
147.08031	3.5
147.11670	25.0
149.09665	6.7
149.13272	17.7
155.08560	3.5
156.09421	4.7
157.10158	19.3
158.10909	3.7
159.11710	31.0
161.09641	5.0
161.13248	21.9
163.14873	11.0
165.12808	5.6
169.10098	4.5
170.10909	4.1
171.11635	13.0
173.13243	28.3
175.11285	5.9
175.14830	25.7
177.12767	7.2
177.16338	12.7
183.11723	6.5
185.13235	14.4
186.64897	2.8
187.14859	13.5
189.16347	20.6
191.14352	3.7
191.17961	45.0
193.15942	7.2
195.11676	2.8
197.13333	4.5
199.14902	12.2
201.16394	9.4
203.14349	14.3
203.17987	14.9
205.19595	7.6
211.14841	4.4
213.16486	7.5
215.14386	5.1
215.18033	10.1
217.15927	9.9
217.19463	16.5
219.17453	12.4
221.15498	10.7
225.16428	6.2
227.17972	5.8
229.15974	4.2
229.19548	5.8
231.17520	5.8
231.21194	6.5
233.15381	5.0
235.16919	62.7
239.15030	4.0
241.19534	3.4
243.17482	4.9
243.21211	4.1
249.18571	4.1
261.18549	9.7
271.24277	3.3
275.20175	5.2
283.20709	4.1
311.23877	4.5
311.27499	8.1
353.32162	6.6
363.30527	8.0
379.29666	2.7
380.49097	2.7
399.59714	2.8
403.33649	17.2
421.34653	51.3
422.34924	3.9
439.35806	98.8
440.36169	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	440.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01855	0.4
56.04995	0.2
61.02910	0.3
66.79243	0.2
68.99778	0.2
69.03429	1.8
70.06578	0.2
70.95168	0.4
71.04992	0.2
73.02904	0.4
74.26354	0.2
74.56183	0.2
81.01630	0.2
81.03417	2.1
85.02910	3.2
86.09685	0.3
87.00840	1.8
89.43258	0.2
91.05484	0.4
93.05788	0.3
93.07049	0.2
97.02908	1.5
99.04443	0.5
103.04179	0.2
105.01860	0.6
108.04456	0.2
109.02886	1.6
117.01868	0.2
121.05255	0.2
127.03921	2.1
129.01823	0.2
132.04445	0.6
136.06189	0.9
145.04976	0.6
146.06041	1.2
159.02907	0.8
177.04219	23.4
178.04605	0.5
192.06558	100.0
193.06923	1.7
200.67479	0.2
422.24274	0.2
440.11346	0.2
441.17371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15496	1.6
55.01873	6.0
55.05508	9.9
56.96561	2.7
57.03439	16.6
57.07070	3.7
59.97179	1.9
61.02935	15.7
64.25962	2.3
67.05503	7.4
69.03069	2.2
69.03433	38.2
69.06711	3.5
69.07072	56.3
69.07447	3.6
69.44832	12.5
69.45245	2.6
71.01353	5.0
71.05000	3.5
72.20457	1.9
73.02921	79.5
79.05510	4.0
81.03431	8.8
81.07059	6.5
83.08617	3.0
85.02909	100.0
86.09731	2.8
87.04468	4.5
89.03941	2.5
91.03955	3.0
91.05519	3.1
92.05875	1.7
93.07063	4.2
95.04954	3.4
95.08602	5.4
97.02895	58.4
97.06558	2.4
98.09695	1.9
98.97645	2.4
99.04429	4.1
103.03951	2.8
105.07076	4.6
107.02877	1.9
107.08570	4.7
109.02879	6.5
109.10151	2.8
111.04456	3.2
111.11733	23.8
115.03939	31.8
117.03377	7.7
117.35310	2.0
118.08691	4.5
119.08601	2.8
121.06502	2.2
121.10174	2.3
127.03919	29.7
127.04794	2.8
129.05504	2.2
133.04973	39.9
135.11647	2.3
144.06610	1.9
145.02873	21.0
145.04950	44.3
150.07695	3.0
155.61087	1.8
163.06017	16.0
165.09167	3.3
177.05473	31.5
184.07378	3.7
197.29199	1.7
199.06075	2.6
223.06021	8.0
241.07066	8.2
243.15883	2.9
255.16129	2.3
258.74335	1.9
259.08157	9.2
265.15378	12.0
357.69727	2.2
397.18359	3.7
440.23285	22.9
440.32523	2.1
441.16608	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	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16578	1.4
53.03938	1.8
55.01870	6.7
55.05513	12.2
57.03440	18.0
57.07056	2.2
59.05009	2.1
61.02928	14.5
67.05513	4.9
69.03439	40.5
69.07071	55.8
69.38817	1.5
70.10670	3.4
70.11087	5.1
71.01350	5.0
71.04987	3.5
72.08160	2.1
73.02921	87.5
78.81225	1.8
79.05492	4.8
81.03410	8.7
81.07062	5.4
83.04969	2.7
85.02911	100.0
85.06569	1.6
87.04475	3.1
89.03912	2.0
91.03920	3.0
91.05473	3.6
93.07018	4.7
95.05006	3.0
95.08631	4.3
96.70432	1.5
97.02902	65.6
98.97559	1.7
99.04466	4.2
99.08093	1.7
103.03938	2.8
107.08602	3.5
109.02864	6.6
109.10148	2.9
111.11719	24.4
115.03942	27.2
117.03374	6.4
118.08648	4.1
119.08609	4.6
121.10134	2.7
123.11729	2.9
127.03919	29.6
133.04977	33.3
133.10130	3.1
135.11703	1.8
145.02856	15.4
145.04965	40.5
145.10127	2.0
147.04457	3.0
149.06018	2.5
150.07675	2.5
159.11752	1.9
163.06055	16.4
165.09160	4.0
177.05495	23.2
184.07324	3.6
193.04890	2.5
195.13675	1.6
207.13887	2.5
216.33852	1.6
223.06029	5.3
241.07123	9.4
243.15927	3.2
244.36269	1.7
259.08163	7.0
265.15512	6.7
277.09338	3.1
287.03784	2.5
397.18369	3.6
440.23376	21.9
441.16873	11.6
441.25040	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	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37293	1.7
55.05499	2.8
57.03434	3.5
57.07080	17.3
62.06086	21.6
67.05496	7.9
69.07065	6.9
71.08635	11.6
71.61355	2.7
72.08146	2.3
79.05489	5.6
80.87157	2.1
81.07047	11.7
83.08618	3.6
85.10178	9.8
93.07059	4.3
95.08627	12.3
97.10153	2.5
98.97603	3.2
98.98462	5.7
107.08559	3.8
109.10136	5.8
119.08572	3.4
119.87629	1.9
121.10157	3.4
123.56264	2.2
131.00162	3.4
131.08632	2.7
149.01241	4.1
149.34781	2.0
155.00990	7.0
188.15237	2.2
195.54080	1.9
224.17688	2.2
234.42622	2.6
264.00986	2.1
266.87473	2.4
268.26459	9.9
277.13803	7.5
277.63858	5.1
299.25818	100.0
368.71552	2.0
379.22385	6.0
416.36404	2.2
440.36923	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	440.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54093	11.8
55.05508	24.5
55.96776	10.5
57.07079	22.1
65.76052	12.3
66.78008	10.9
67.05492	30.1
67.75885	11.9
69.07059	46.2
70.13119	52.8
70.37088	10.6
79.01964	10.7
79.05481	15.0
81.07056	75.8
83.04947	11.5
83.08598	15.4
89.06004	21.3
93.07040	44.6
95.08610	100.0
96.08931	16.0
97.10149	20.6
99.48980	11.7
105.07034	30.1
107.08582	44.4
109.10132	44.7
119.08581	35.7
121.10125	42.2
123.11676	20.3
133.10135	31.2
135.11707	34.2
141.52745	11.1
145.10078	16.3
147.11670	15.8
149.13263	26.0
159.11626	18.6
161.13248	14.5
162.13524	18.0
163.14899	11.2
185.07260	12.3
189.16464	19.7
190.16818	17.0
191.17915	24.4
192.18306	25.5
195.71101	12.9
203.18059	17.9
204.18358	24.7
210.53110	12.9
311.25891	23.1
367.83698	13.5
440.31274	20.0
440.37070	79.8
441.29596	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	440.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01421	1.2
55.05512	4.7
56.96564	2.3
57.07080	26.6
58.65382	1.5
60.44540	1.7
61.58556	1.5
67.05499	5.0
69.07069	4.9
71.08273	1.7
71.08637	23.4
73.06194	1.4
73.06561	6.3
79.05492	3.2
81.07052	6.4
83.08620	5.2
85.02901	1.8
85.10191	26.8
87.04469	2.6
89.06037	100.0
91.05504	2.0
93.07044	5.4
95.08620	6.0
96.08969	1.4
99.11741	2.9
105.07014	3.3
107.07088	2.6
107.08588	4.6
109.10156	4.6
117.09164	2.6
119.08605	3.1
121.10177	3.1
123.11651	1.5
131.08510	2.2
133.08624	39.2
133.10130	2.7
135.11707	2.2
141.16402	4.8
143.08592	1.5
145.10118	3.9
147.11723	1.9
149.13159	1.9
159.11746	2.0
161.13214	1.5
171.11755	2.0
177.11234	18.7
185.19020	5.1
186.90961	1.4
189.16434	1.8
195.12325	1.8
203.14209	1.9
205.84882	1.4
217.12305	2.0
221.13736	2.2
229.21631	8.8
239.15071	3.2
273.24289	3.6
283.17490	15.7
284.46866	1.7
349.17181	1.7
423.33252	20.5
440.32471	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	440.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01421	1.2
55.05512	4.7
56.96564	2.3
57.07080	26.6
58.65382	1.5
60.44540	1.7
61.58556	1.5
67.05499	5.0
69.07069	4.9
71.08273	1.7
71.08637	23.4
73.06194	1.4
73.06561	6.3
79.05492	3.2
81.07052	6.4
83.08620	5.2
85.02901	1.8
85.10191	26.8
87.04469	2.6
89.06037	100.0
91.05504	2.0
93.07044	5.4
95.08620	6.0
96.08969	1.4
99.11741	2.9
105.07014	3.3
107.07088	2.6
107.08588	4.6
109.10156	4.6
117.09164	2.6
119.08605	3.1
121.10177	3.1
123.11651	1.5
131.08510	2.2
133.08624	39.2
133.10130	2.7
135.11707	2.2
141.16402	4.8
143.08592	1.5
145.10118	3.9
147.11723	1.9
149.13159	1.9
159.11746	2.0
161.13214	1.5
171.11755	2.0
177.11234	18.7
185.19020	5.1
186.90961	1.4
189.16434	1.8
195.12325	1.8
203.14209	1.9
205.84882	1.4
217.12305	2.0
221.13736	2.2
229.21631	8.8
239.15071	3.2
273.24289	3.6
283.17490	15.7
284.46866	1.7
349.17181	1.7
423.33252	20.5
440.32471	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37035	2.3
56.63954	2.7
56.96569	18.7
57.03419	2.7
63.41543	2.5
67.05491	7.2
70.06586	6.3
73.02918	3.8
74.98666	2.5
81.07060	6.5
84.96015	6.1
85.02930	3.0
86.09692	3.0
88.69323	2.7
91.05487	14.6
94.06573	3.0
95.04951	3.2
97.02859	3.1
97.06477	2.9
97.96809	8.2
98.97592	66.0
99.72157	2.9
107.08597	3.0
109.10155	4.6
110.97066	2.3
110.97590	25.3
112.99124	5.4
113.69762	2.5
115.97928	3.2
116.98622	19.3
124.07618	3.3
124.99137	2.8
127.03853	3.9
128.98657	17.2
143.00180	3.8
146.99638	7.1
147.04388	5.1
152.98546	6.1
155.00134	3.5
158.99654	14.0
161.01265	3.7
170.99637	5.7
176.07146	4.5
177.00696	10.2
177.05544	4.2
185.03737	4.3
189.00665	6.5
191.07008	3.4
193.04921	6.6
196.03941	2.6
201.00700	4.4
207.03296	16.2
219.01778	38.4
225.04318	6.1
237.02831	28.8
239.08691	4.7
240.09326	3.3
243.19298	3.0
261.12360	5.4
279.13181	3.4
280.06760	3.1
309.06439	32.8
327.03821	5.4
327.07529	82.6
398.17856	4.6
430.95593	2.7
441.11362	100.0
441.15918	4.1
441.21719	6.9
459.11636	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	441.1392
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
53.03950	3.4
54.40596	1.4
54.52058	1.4
55.05503	3.0
61.02916	2.2
69.03436	13.9
69.71588	3.0
69.71999	6.9
70.06578	2.7
71.04993	2.3
72.08156	2.7
79.05484	2.8
79.63329	1.6
81.03432	11.2
81.07049	2.6
85.02908	11.4
86.09708	2.7
91.05495	8.6
97.02903	14.1
99.04433	3.7
102.04663	3.2
103.05476	24.5
105.07045	7.6
109.02873	6.6
115.05467	26.9
117.03383	3.0
117.07024	42.8
118.04206	7.9
119.04940	1.6
119.08582	1.6
127.03934	5.3
127.05447	2.3
128.06233	4.3
129.07002	3.1
130.04134	7.1
131.04919	24.9
132.05701	3.7
133.06499	9.0
143.04932	3.3
145.02849	5.8
145.04893	3.7
145.05122	2.9
145.06493	62.9
146.03659	4.9
147.04387	6.6
147.08037	2.6
148.05133	4.0
155.06042	17.1
156.05740	15.8
157.06448	3.7
158.03589	4.4
159.04436	10.7
160.05193	5.3
161.05962	14.2
162.03171	3.4
170.03621	2.0
171.04439	3.3
173.05981	57.0
174.03105	6.1
174.06783	2.1
175.03926	5.8
175.07545	4.5
176.04712	7.0
177.05455	12.9
178.06268	9.1
184.05228	2.8
186.03180	4.2
188.04706	1.9
189.05463	12.8
189.09137	2.2
190.06252	29.7
191.07042	23.4
193.04977	56.6
193.08646	4.8
198.03145	2.7
199.03793	2.3
201.05489	4.0
202.06215	2.9
203.03380	3.2
204.04172	7.9
205.04990	6.6
205.08563	19.3
206.05731	3.2
207.06593	2.6
214.63245	2.4
217.05074	18.9
217.08598	45.0
218.05676	3.5
219.06531	96.8
220.03691	2.9
220.07169	3.3
228.13846	5.3
228.64020	6.5
229.04965	3.3
231.06534	15.4
233.08101	3.3
234.05177	6.9
235.06056	21.3
235.09599	4.0
237.07538	9.3
237.14362	10.2
237.64517	8.2
238.14563	1.7
246.14923	34.9
246.65079	29.1
247.06097	2.5
247.15115	5.6
249.07573	19.7
251.09099	2.8
261.07593	57.9
262.07867	2.1
265.15482	4.7
279.08643	100.0
296.89911	1.7
299.69574	1.5
320.60028	1.6
381.11487	2.4
441.13852	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78403	0.3
53.03938	0.6
55.01880	0.6
57.03433	0.4
61.02921	0.5
69.03435	2.5
69.95510	0.9
69.95897	0.6
73.02908	0.5
75.81554	0.3
77.09327	0.3
81.03429	3.2
85.02912	3.2
87.00823	1.7
97.02885	1.2
98.20750	0.4
99.04449	0.9
103.05470	0.4
105.01878	0.7
109.02898	2.5
127.03944	1.8
130.06541	8.1
131.04976	0.3
144.08089	0.3
145.04982	1.0
148.07582	0.7
149.23755	0.3
158.06030	13.3
159.02901	1.4
160.07564	0.4
162.05580	0.5
164.07072	1.2
172.07623	0.8
174.05525	0.7
175.06332	0.5
176.07085	100.0
177.07410	1.3
188.07071	1.1
193.09746	25.4
200.07059	1.0
218.08171	3.0
235.10713	0.7
242.08112	0.9
284.09180	0.7
302.10468	0.3
362.12213	0.4
380.13452	0.9
388.10263	0.6
394.11084	0.4
406.11310	0.6
424.12546	4.4
441.09244	0.6
441.15079	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.03415	1.1
57.68923	1.0
63.20270	1.0
67.05492	2.1
69.03421	1.7
69.07055	1.6
70.06579	2.3
70.90553	2.2
75.66841	0.9
79.05480	2.8
81.03397	2.3
81.07074	4.3
83.04981	1.5
83.08595	1.1
84.04465	1.0
85.02894	2.4
91.05484	2.9
93.07033	3.6
94.06565	1.0
95.04964	1.0
95.08601	3.2
97.06535	1.5
98.97580	1.8
100.11272	1.1
103.05446	1.4
103.54823	0.9
104.73155	0.8
105.07053	3.3
107.08577	3.0
109.02882	1.6
109.10136	2.6
113.23425	0.9
117.06995	1.3
119.04950	1.6
119.08554	2.2
120.08138	2.3
121.06490	0.8
121.10155	2.1
123.08086	1.0
126.19185	0.9
127.03945	1.5
128.92746	0.9
131.04974	0.9
133.10126	1.7
135.11710	2.4
137.09625	1.4
143.01923	1.0
145.06509	0.8
145.10139	1.2
147.04422	2.7
159.11748	1.2
162.09111	1.9
165.09052	5.3
167.07042	1.5
171.08099	1.2
175.04053	1.9
177.05513	1.2
184.07335	1.0
193.12042	2.1
201.03786	1.0
203.05286	1.6
207.06505	1.3
243.04802	6.4
243.24405	0.9
245.06346	2.4
287.03741	54.2
289.05396	10.2
292.89575	0.9
319.12939	1.3
337.16223	1.1
355.17352	2.5
388.62808	0.8
389.63065	1.0
397.18335	23.9
425.64185	1.2
441.17322	100.0
441.23911	10.3
442.17841	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	441.1738
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.03930	0.7
55.05504	1.2
56.96554	1.0
67.05496	1.0
69.03421	1.3
70.06579	1.6
72.08140	1.8
79.05489	1.0
81.03413	1.2
81.07050	1.2
83.04954	0.6
83.08562	0.5
84.08118	0.8
85.02901	1.5
86.09697	1.1
91.05466	2.2
93.07023	2.2
95.04958	0.5
95.08608	0.8
97.02897	1.1
98.97590	1.0
103.05457	0.6
105.07010	0.8
107.08589	2.4
116.98576	0.6
117.03365	0.8
117.07025	0.6
119.01926	0.6
119.04949	0.6
123.92126	0.5
127.03892	0.9
133.10115	0.8
136.06165	1.2
137.05881	0.7
143.01897	1.4
145.02808	0.9
147.04387	0.9
155.50673	0.6
157.03401	0.7
160.60849	0.5
177.05443	2.7
185.04149	0.5
192.06517	1.1
193.06931	0.8
193.12022	3.2
205.08539	0.7
207.06531	1.1
227.05406	0.7
243.04703	1.6
245.06265	0.9
245.54214	0.6
265.15424	0.8
271.04385	1.4
279.08640	0.7
287.03778	3.0
289.05362	4.5
289.14737	1.2
337.16324	1.6
355.17261	6.2
379.17371	4.2
393.05231	0.6
397.18356	44.2
398.18594	0.8
423.16202	12.8
441.17282	100.0
442.17523	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	441.1735
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
50.39400	0.6
55.01859	0.8
55.05498	0.8
65.70074	0.6
67.05491	1.1
69.55292	4.2
70.06567	0.7
72.08160	0.8
79.05498	0.8
80.27193	0.6
81.07057	0.7
86.09730	1.5
91.05470	1.6
93.07049	2.7
98.21481	0.9
101.73582	0.6
107.08600	1.9
146.05937	0.7
179.69855	0.6
185.04182	0.7
193.12016	4.6
203.85040	0.7
227.05173	1.0
245.06351	3.8
271.04312	0.6
287.03766	1.0
289.05322	8.3
294.31735	0.6
355.17331	6.6
379.17542	0.7
397.18353	44.8
398.18799	1.4
423.16370	2.5
441.17322	100.0
442.17563	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	441.1736
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
54.57059	0.7
55.05509	1.2
56.53235	0.7
57.03428	0.9
58.85195	0.7
59.13848	0.8
67.05499	1.1
69.03439	2.0
70.06579	2.7
71.60064	1.1
72.08157	4.1
79.05510	1.5
81.03397	1.4
81.07057	1.9
83.08642	0.9
84.08145	1.0
85.02912	1.4
86.09706	6.2
91.05468	2.5
93.07043	2.6
94.99844	0.8
95.08583	1.3
97.02896	1.9
101.00836	0.9
105.07018	1.5
107.08582	2.4
116.07065	2.5
117.03382	1.3
119.08560	0.9
120.08157	1.0
127.03913	1.8
136.06184	1.2
143.01968	0.9
145.02844	3.6
157.03442	0.8
159.11542	0.8
175.03951	1.0
176.07022	1.1
177.05473	7.7
185.04370	0.8
185.16479	3.1
192.06520	1.4
193.06865	2.1
193.11993	2.4
207.06606	0.9
213.16014	3.9
223.66650	0.8
229.15448	2.6
243.04626	1.1
265.15366	2.2
271.04303	1.5
280.07404	0.9
287.03766	3.8
289.05328	3.5
309.07468	0.9
337.07486	0.9
337.16306	1.1
355.17178	6.4
379.17172	3.3
394.66269	0.8
397.18369	40.5
423.16333	12.1
423.24557	1.7
432.00345	0.8
441.17230	100.0
442.17612	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51120	0.5
66.33423	0.6
67.05502	1.2
69.07080	1.0
70.06620	0.6
71.59520	1.2
78.45747	0.5
79.05484	1.1
81.07077	1.8
81.52098	0.6
83.68041	0.5
83.98771	0.6
85.02906	1.1
89.76399	0.5
91.05493	1.7
93.07043	1.9
95.08614	2.0
98.97638	0.6
105.07008	0.9
107.04939	0.7
107.08577	1.4
109.10169	1.5
119.08539	0.8
121.10169	0.9
135.11667	0.7
137.09608	1.0
143.08521	0.7
145.02879	1.0
145.10138	0.8
147.11667	0.9
149.13330	0.7
151.07568	0.7
165.09117	5.7
193.12082	0.8
195.11653	0.6
227.05351	1.2
289.18597	0.7
317.59503	0.7
337.16238	0.8
355.17267	8.5
379.17548	1.7
397.18365	43.4
398.18817	1.3
441.17368	100.0
441.23917	5.2
442.17792	2.5
461.35272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
67.05471	1.3
69.03439	0.6
69.07053	0.8
69.47478	2.3
69.47902	2.2
76.31242	0.5
77.38174	0.5
79.05476	0.7
80.79705	0.6
81.07056	2.1
82.51737	0.6
85.02917	0.9
91.05476	1.6
91.38268	0.6
93.07038	2.1
94.42654	0.7
95.07658	0.6
95.08632	2.7
98.97586	0.8
105.07020	1.3
107.08584	2.7
109.10152	1.9
117.77488	0.5
119.08585	1.0
121.10138	0.6
131.89754	0.6
133.10136	1.0
135.11684	0.9
137.09647	1.9
147.11662	0.6
151.07526	0.7
159.11716	0.7
160.53708	0.5
165.09122	10.1
175.11159	0.8
177.09122	1.5
193.12054	1.8
203.10651	0.6
205.12326	1.0
227.05269	1.1
246.02271	0.6
288.77173	0.6
289.05359	0.7
293.94641	0.6
355.17264	8.5
379.17487	1.0
397.18347	46.2
398.18774	1.4
423.16202	1.3
441.17361	100.0
441.24048	6.4
442.17792	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	441.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
55.31867	0.6
61.02942	0.6
63.02370	0.6
64.25848	0.6
64.37751	0.6
67.05511	1.1
69.03423	0.7
69.07069	1.3
69.31974	1.1
69.32305	5.5
72.08143	2.1
81.07053	1.4
84.81689	0.5
85.02908	1.3
89.03929	8.0
89.10789	1.5
91.05499	1.6
93.07048	1.0
95.04980	0.7
95.08603	1.2
98.21555	1.0
101.00867	0.6
105.07028	0.8
106.04153	0.7
107.08619	1.3
109.10164	0.8
110.61002	0.7
117.03391	22.8
123.11656	0.8
134.03606	1.8
135.04347	0.7
135.11690	0.6
137.09673	0.8
143.01895	1.1
144.01865	0.7
145.02853	57.0
149.05995	7.6
161.02956	1.0
163.03839	0.8
165.09111	3.8
177.05479	100.0
178.05756	0.8
181.84567	0.6
193.11990	1.2
222.22264	0.7
243.04826	4.0
245.06334	2.8
247.14552	0.8
248.12843	2.7
265.15491	32.6
266.49554	0.6
287.03726	12.0
289.05295	10.6
291.13348	2.7
352.12262	1.6
355.17148	1.9
397.18359	20.3
398.18796	1.0
441.17282	52.2
441.23779	2.1
442.17844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2022
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
52.27137	0.2
57.03419	0.2
63.02367	0.5
67.05529	0.3
69.07064	0.5
69.25607	1.1
69.26031	1.0
70.67794	0.2
72.08154	2.9
73.02920	0.5
78.04729	0.3
85.02896	0.7
89.03915	7.5
89.10799	1.1
91.05477	0.7
93.07065	0.4
94.66867	0.2
95.04985	0.3
97.02896	0.4
103.05478	0.5
105.06992	0.3
106.04183	0.3
107.08570	0.3
115.08694	0.4
117.03382	22.6
122.44090	0.2
124.05231	0.2
134.03638	1.7
135.04416	0.7
140.57109	0.2
145.02847	58.9
146.03209	0.4
147.04387	0.2
149.05983	6.9
158.06110	0.2
163.03903	0.4
165.09138	0.6
177.05467	100.0
178.05785	0.9
186.05501	0.9
247.14336	0.6
248.12840	3.1
265.15472	28.9
266.15714	0.6
289.28784	0.2
291.13400	2.1
291.71677	0.2
296.96732	0.2
315.04773	0.2
441.19525	1.6
441.24686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.9
57.03440	2.6
57.07066	2.5
64.59737	1.7
67.05508	20.1
69.03425	2.1
69.07077	23.5
69.88894	1.8
71.04987	2.2
71.08624	9.5
77.61784	1.7
79.05519	12.5
81.06629	2.9
81.07060	31.4
83.04970	5.1
83.08623	10.1
85.06532	2.2
86.81374	1.7
89.67771	2.0
91.05488	12.3
93.07044	16.8
95.08610	31.2
97.06526	3.9
97.10158	4.2
99.08086	7.4
101.67661	2.0
105.07021	9.9
107.08604	23.2
109.06509	11.7
109.10162	15.6
111.08083	3.1
117.07011	2.8
119.08582	16.6
121.06480	3.6
121.10139	17.6
123.08070	33.3
123.11687	6.8
124.99992	3.0
125.05989	2.4
125.09647	2.5
131.08546	6.5
133.10139	17.2
135.08083	9.4
135.11682	8.9
137.09656	4.2
137.13205	3.7
143.08598	3.3
145.10097	8.8
147.11659	6.4
149.09595	5.5
149.13202	6.1
151.11209	2.4
153.12761	3.8
157.10109	4.4
159.11702	8.4
161.09737	2.3
161.13269	4.7
163.11171	3.1
163.14844	3.2
165.12714	2.2
171.11673	3.6
172.95236	2.3
173.13231	5.8
175.14758	5.3
177.12666	4.4
179.14322	44.8
181.12291	2.3
183.11649	2.2
184.07378	2.5
187.14772	2.2
189.16411	6.8
191.14311	2.8
191.18011	2.7
193.15886	3.8
195.24760	1.9
203.14409	2.4
205.15813	2.9
207.17450	3.0
213.16312	2.5
215.17903	1.9
217.19498	2.1
233.19028	2.4
247.20691	2.1
251.20125	11.8
269.13541	4.1
293.21075	8.4
303.26801	14.6
321.27731	2.2
331.22296	3.2
331.26297	51.3
349.27390	46.1
400.76874	2.0
405.30038	4.5
423.31085	100.0
424.31229	2.3
441.20493	3.0
441.33981	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.4
57.03432	8.5
57.07065	5.5
67.05500	40.4
69.03429	8.6
69.07067	27.3
71.04984	7.3
71.08659	7.6
77.75624	5.1
79.05495	25.9
81.07063	67.0
83.04982	7.8
83.08620	13.4
85.02921	4.9
85.06560	5.3
91.05486	23.7
93.07058	57.9
95.04969	5.4
95.08614	100.0
95.09211	5.5
97.06504	8.6
97.10138	6.6
97.19239	4.9
98.21481	21.1
101.06030	11.8
105.07042	48.5
107.08603	72.2
109.06534	10.1
109.10149	60.0
111.08077	9.2
117.07043	7.5
119.08586	84.1
121.06470	6.6
121.10143	73.8
123.08064	17.3
123.11719	27.4
131.08574	27.0
133.06551	7.5
133.10118	55.3
134.79556	5.0
135.08073	10.6
135.11700	47.9
137.13251	9.4
143.08542	9.0
145.10161	46.1
147.11685	41.3
149.09598	6.8
149.13248	22.6
151.07536	7.2
157.10144	20.2
159.11687	35.4
161.13283	21.1
163.11189	9.7
163.14763	15.6
169.10147	9.5
169.33170	5.3
171.11661	16.7
173.09674	5.5
173.13281	25.7
175.11189	9.2
175.14870	25.9
177.12773	16.7
177.16351	11.3
183.11736	8.1
185.13266	12.2
187.14796	25.5
189.12775	7.7
189.16376	35.1
191.14354	23.2
191.17989	76.6
197.13177	7.7
198.65758	5.0
199.14818	11.8
201.12775	7.1
201.16405	14.3
203.14417	7.1
203.17978	14.8
205.15877	6.4
207.17435	6.0
209.13431	6.4
213.16365	7.7
215.14359	41.4
215.17860	9.4
217.15865	13.3
217.19478	8.7
219.13805	23.7
219.17493	10.6
229.15862	9.9
230.07033	5.5
231.13802	7.2
233.13306	6.9
233.15369	42.3
243.17458	7.6
271.17242	5.2
323.27313	8.3
365.29388	5.2
405.31628	44.8
410.82324	5.6
423.32581	78.4
425.16296	5.4
426.16409	11.8
441.13895	12.2
441.19080	33.2
441.33942	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03943	0.6
55.05495	2.8
57.07068	1.4
59.05013	0.6
59.41727	0.5
65.03922	0.9
67.05497	3.4
69.03426	0.6
69.07073	3.7
70.25361	1.5
71.04995	4.5
71.08626	0.6
71.96982	0.6
79.05489	3.5
81.07056	9.0
83.04970	0.7
83.08634	2.6
85.06543	3.1
91.05479	4.6
93.07055	10.2
93.83884	0.5
95.04969	1.2
95.08611	14.5
97.06533	2.1
97.10176	1.5
98.34985	0.5
99.08104	1.0
105.07034	10.5
107.08598	15.2
109.06507	2.2
109.10172	8.6
111.08083	1.6
111.27779	0.5
113.09702	0.7
117.07028	1.8
119.08579	12.8
121.10157	12.1
123.08063	2.2
123.11724	3.6
125.09641	1.6
129.07024	1.1
130.07838	0.7
131.08560	6.0
131.09407	0.8
133.10133	12.7
135.08057	1.5
135.11697	6.5
137.09642	2.4
137.13271	1.8
139.11156	0.8
143.08553	4.3
145.10124	10.4
147.08054	1.6
147.11710	7.3
149.09613	2.9
149.13283	7.2
151.11192	2.8
155.08583	0.5
157.10124	3.5
159.11690	9.8
161.09659	0.9
161.13260	7.6
163.11191	7.9
163.14861	2.2
165.12856	1.2
169.10143	0.8
170.10870	0.6
171.11705	2.3
173.13274	5.1
175.11220	0.9
175.14822	6.5
177.12746	11.1
177.16295	1.2
179.14197	0.6
183.11740	0.7
185.13268	4.4
187.14842	7.7
189.12781	1.1
189.16441	1.7
191.14345	1.5
191.17899	1.2
193.15895	0.8
195.11636	0.6
197.13188	1.3
199.14763	3.0
201.16406	5.8
203.14337	10.1
203.17987	1.3
205.15901	9.2
205.19417	0.6
211.14755	1.1
213.16460	2.0
215.14427	0.7
215.18001	1.2
217.15912	2.3
217.19525	0.6
219.17439	11.8
223.14815	0.7
225.16226	0.9
227.17902	1.4
229.19463	0.7
231.17465	1.2
235.94427	0.5
239.18005	0.9
241.19536	1.2
245.19012	0.8
253.19554	1.7
255.21164	1.2
259.20639	0.7
267.21127	1.2
271.20615	1.6
272.58801	0.5
273.22232	0.7
281.22586	0.7
285.22171	0.7
337.25211	0.8
359.38840	0.5
367.40930	0.5
387.30151	0.7
397.30847	0.9
405.31464	5.3
423.32538	10.2
441.33640	100.0
442.34082	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	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05502	1.6
57.07061	1.3
58.99269	0.3
59.05003	0.5
67.05509	4.2
69.03420	1.3
69.07067	5.8
69.58459	2.3
69.58873	0.8
71.05029	0.3
73.18092	0.4
75.57183	0.3
79.05505	2.2
81.07055	9.6
83.04984	4.4
83.08620	1.6
85.06548	0.6
91.05455	1.8
93.07037	5.7
95.04948	1.9
95.08607	21.0
97.06523	0.9
97.10168	1.3
97.81319	0.4
105.07043	4.3
107.08596	12.4
109.06523	1.4
109.09444	0.8
109.10155	12.2
111.08093	1.4
111.11721	2.0
119.08583	7.7
121.06534	1.8
121.10146	11.1
123.08083	2.7
123.11716	6.0
125.09583	0.7
131.08592	1.0
133.10136	5.3
135.08031	4.0
135.11687	12.4
137.09637	1.2
137.13240	3.9
139.11163	1.0
143.08618	0.7
145.10135	2.6
146.07333	0.4
147.11699	3.4
149.09619	16.4
149.13248	3.8
151.11194	0.9
151.14861	0.7
157.10144	1.2
159.11671	3.4
161.09625	1.4
161.13246	2.9
163.11212	1.5
163.14845	2.1
165.12685	0.5
171.11691	0.9
171.41022	0.4
173.13235	2.6
175.11171	0.8
175.14818	3.9
177.03041	0.4
177.12752	1.1
177.16423	3.7
179.14339	1.2
182.59331	0.4
185.13293	0.6
187.14798	1.4
189.12770	0.6
189.16394	5.9
191.14307	0.6
191.17955	6.5
199.14888	0.8
201.16446	0.8
203.14310	0.6
203.17978	1.0
205.15891	0.9
205.19569	1.8
207.17390	0.9
213.16374	1.3
214.43509	0.4
215.17961	3.7
217.15964	0.8
219.17474	0.5
221.15393	0.6
227.17932	0.8
229.19502	0.7
231.17397	2.0
233.19005	5.4
235.16887	3.3
241.19586	0.5
243.21106	0.9
245.18875	0.7
247.20610	0.4
255.21164	0.4
259.20563	1.0
259.24515	0.5
261.22162	1.2
263.20102	0.5
269.22632	1.3
282.55511	0.4
287.23669	10.2
303.23212	0.6
405.35162	0.9
423.36334	2.0
441.37299	100.0
442.37704	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	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03945	2.3
55.05508	6.0
57.07083	2.5
61.02210	1.1
67.05510	16.2
69.03434	1.3
69.07071	11.5
69.59670	8.9
75.96465	1.1
78.85965	1.3
79.05497	14.7
81.07059	29.5
83.08613	2.9
89.52666	1.1
91.05492	8.8
93.07048	35.7
95.04956	2.2
95.08613	56.8
97.10156	2.7
105.07021	11.3
107.04969	2.3
107.08599	26.0
109.06522	1.2
109.10164	47.6
109.10917	2.8
111.08092	1.4
111.11718	5.3
119.08581	11.0
121.06515	1.4
121.10152	57.2
122.10456	1.7
123.08099	2.4
123.11718	25.6
125.13318	1.2
130.55162	1.1
131.08582	3.6
133.06528	1.8
133.10193	3.7
135.08067	3.7
135.11700	15.2
137.09636	2.9
137.13287	4.2
139.11185	4.1
143.08508	1.5
145.10127	3.1
147.08073	1.2
147.11691	3.3
149.09627	100.0
149.13269	20.5
149.14366	2.3
150.09959	1.8
151.11188	11.0
157.10251	1.3
159.11722	2.2
161.13309	2.3
162.10358	1.2
163.11180	6.5
163.14830	16.5
167.10669	8.7
173.13307	1.8
175.14873	1.6
177.12740	6.2
177.16457	1.9
187.14845	3.9
191.17969	2.3
201.16519	1.6
203.14357	4.9
205.15889	21.4
205.19525	12.9
207.17467	1.4
215.18097	1.2
217.15950	3.0
217.19508	1.3
219.17522	6.4
219.21072	21.1
231.17473	1.5
259.20346	1.3
275.94775	1.1
287.23676	1.4
313.25351	1.6
315.25052	1.3
345.28058	2.9
405.35153	1.6
423.36191	43.7
424.36383	1.5
441.37311	70.2
442.37686	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.63773	0.4
54.75620	0.5
55.05509	2.8
57.07072	1.2
67.05505	7.2
69.07071	9.2
71.07723	0.8
79.05482	3.4
81.07057	14.5
83.08617	3.1
89.15252	0.5
91.05479	2.4
93.07048	10.2
95.08611	21.0
97.10176	1.3
105.07015	3.6
107.08595	10.2
109.06546	0.8
109.10161	33.0
111.11704	3.2
119.08569	4.7
121.06523	1.5
121.10146	30.9
123.08075	0.9
123.11718	7.7
125.50483	0.5
125.61127	0.5
131.08565	1.2
133.10143	4.2
135.08035	3.2
135.11691	5.8
137.09650	1.1
137.13277	3.9
139.07558	0.5
139.11119	0.6
145.10162	1.9
147.08052	1.6
147.11694	2.7
149.09627	2.8
149.13254	4.6
151.14879	0.5
157.10184	0.6
159.11743	1.7
160.43198	0.5
161.09666	1.7
161.13287	2.2
163.07552	1.1
163.11272	0.8
163.14842	5.4
165.09132	7.3
171.11714	0.9
173.13254	2.0
175.11256	0.6
175.14861	3.2
177.12811	0.9
177.16379	1.9
185.13235	0.7
187.14816	2.7
189.12802	1.8
189.16403	1.3
191.17953	0.9
199.14877	1.2
201.16341	0.7
203.10742	0.5
203.14330	4.8
203.16011	0.7
203.18033	1.3
205.12238	0.9
205.15916	1.2
205.19496	2.5
213.16432	1.0
215.17941	0.6
217.15910	1.2
217.19524	0.5
219.17336	0.6
229.15901	0.5
231.17484	1.0
259.20313	0.6
269.22546	0.7
287.23660	1.3
338.34360	0.5
405.35312	1.2
423.36670	2.4
441.37323	100.0
442.37631	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.41742	2.1
55.05511	16.9
57.07070	8.1
60.29776	1.9
67.05516	23.1
68.99208	2.2
69.07068	25.8
71.05388	4.4
71.05747	2.6
79.05483	11.5
81.07060	54.6
83.04989	2.3
83.08617	13.7
87.04437	3.0
91.05479	9.6
93.07050	25.3
95.08611	100.0
97.06568	2.5
97.10182	7.8
105.07044	19.7
107.08601	35.1
109.06523	4.3
109.10163	70.2
111.08130	5.0
111.11732	6.8
117.07051	2.4
117.88652	2.2
119.08572	35.1
121.06516	4.3
121.10147	46.1
123.11725	24.9
131.08580	8.6
133.10155	21.8
135.08066	4.2
135.11700	25.8
137.09645	2.3
137.13260	29.5
142.07774	2.8
143.08591	2.9
145.10117	13.0
147.11693	18.1
149.09688	4.2
149.13278	18.2
151.14906	3.2
156.09389	2.7
157.10144	8.3
159.11705	14.0
161.09610	3.3
161.13254	12.1
163.11121	4.5
163.14790	11.2
171.11737	4.4
173.13316	12.5
175.11201	3.4
175.14886	14.9
177.12791	3.1
177.16389	9.9
185.13261	2.8
187.14830	9.3
189.16373	11.2
191.17941	14.8
193.12282	3.1
193.19556	4.7
199.14880	7.6
201.16425	6.1
203.17944	8.4
205.15816	4.6
205.19519	13.8
207.17409	2.4
213.16399	8.7
215.18005	9.7
217.16003	4.9
217.19569	7.1
219.17438	2.6
219.21291	2.4
227.17842	2.8
229.19522	3.2
231.17474	5.9
231.21071	7.0
235.16954	8.8
241.19524	3.3
243.21248	3.3
245.22685	5.4
248.28200	2.7
249.18475	4.2
255.20943	2.3
267.20923	3.4
285.22205	2.9
317.24701	2.4
323.27396	2.9
323.61462	2.3
405.35300	33.4
423.36560	24.6
424.38089	2.4
441.37616	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	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19068	1.1
51.66390	1.2
55.05520	8.8
57.07082	9.5
59.42246	1.1
67.05219	1.5
67.05510	21.9
68.93865	1.2
69.07073	14.7
71.04982	1.9
71.08633	1.4
77.09724	1.2
79.05501	9.1
81.06570	1.9
81.07063	67.3
83.08605	7.8
91.05484	6.8
93.07044	18.3
95.08611	100.0
96.08934	2.0
97.06538	2.6
97.10160	3.8
105.07052	13.7
107.08591	24.8
109.06515	2.6
109.10159	36.0
111.08096	2.6
111.11705	3.1
117.06971	1.9
119.08596	15.4
121.10149	23.0
123.08106	1.8
123.11716	22.6
125.09641	1.2
127.11133	1.4
129.07137	1.4
131.08565	4.0
133.10110	12.9
135.11707	16.5
137.09641	2.3
137.13261	64.2
143.08510	1.7
145.10127	7.4
147.04347	1.6
147.11693	12.4
149.09706	1.3
149.13277	13.5
151.11224	4.8
151.14810	6.1
157.10168	2.6
159.11688	8.0
161.13268	10.6
163.11095	1.4
163.14793	7.4
165.09196	2.2
167.10703	2.3
169.10170	2.0
171.11703	2.5
173.09694	1.9
173.13243	7.0
175.14836	7.5
177.12860	1.2
177.16356	4.6
179.17947	3.5
185.13249	1.8
187.14822	9.0
189.16333	6.3
191.17961	6.0
193.19589	2.1
201.16376	4.8
203.17941	3.4
205.19548	2.8
207.13736	1.8
213.16331	1.8
215.17966	4.7
217.16080	1.5
217.19510	8.4
219.13876	1.6
221.15399	1.7
229.19489	3.8
233.15375	2.4
233.18904	1.7
243.20990	3.1
245.19107	1.4
247.16911	2.6
255.21016	2.0
261.18539	3.9
273.22192	2.2
289.21667	4.8
303.23181	2.3
367.33755	4.7
387.83618	1.3
423.31796	2.2
423.36520	4.1
441.31909	12.6
441.37326	18.0
456.37476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05511	9.8
57.07067	6.1
66.55875	2.1
67.05511	19.6
69.06719	2.4
69.07072	28.2
69.32652	5.7
69.33079	15.0
77.03979	2.3
79.05489	13.1
81.07056	46.7
83.08630	10.7
85.06533	2.4
87.04497	2.2
91.05469	9.7
93.07047	22.9
95.04980	2.6
95.08043	4.6
95.08612	66.3
97.06496	3.1
97.10155	6.3
105.07033	16.5
107.08601	47.5
109.06502	5.8
109.09449	3.0
109.10168	44.8
111.11715	7.8
111.31252	1.9
119.08584	37.4
121.10149	36.9
122.29023	2.0
123.08080	4.2
123.11722	28.6
125.09598	3.4
131.08580	7.0
133.10123	24.5
135.08093	10.5
135.11720	31.8
137.13278	17.9
139.11195	2.8
143.08542	3.5
145.10104	11.3
147.11671	15.7
149.09610	6.0
149.13261	21.3
151.14822	7.7
153.12851	2.5
156.09348	2.4
157.10138	6.2
159.11656	17.3
161.13216	15.2
163.11124	2.8
163.14818	13.3
165.12689	2.7
169.10077	2.5
171.11693	5.1
173.13240	14.0
175.14845	9.9
177.12749	2.2
177.16418	12.2
185.13295	3.0
187.14815	8.4
189.12662	3.0
189.16391	12.4
191.17938	11.1
197.13219	2.4
199.14761	5.1
201.16441	15.0
203.14383	2.8
203.17982	6.9
205.15868	2.3
205.19536	11.2
207.17444	15.8
213.16397	3.5
215.18037	4.2
217.16006	2.4
217.19650	3.5
219.17462	6.9
225.16521	2.3
227.17964	2.8
229.19489	9.5
231.17319	2.3
233.18871	2.4
241.19577	2.2
243.21109	5.9
245.19019	2.7
247.20338	2.7
267.21173	3.1
269.22675	2.2
273.25821	6.4
281.22379	3.2
283.24243	2.7
285.22559	2.1
285.25885	3.0
287.23648	7.4
289.25134	3.2
301.25278	3.9
309.65710	2.1
401.99026	2.3
405.35123	15.6
413.34286	3.0
423.36514	37.8
441.37656	100.0
442.37457	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	442.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	2.7
57.03422	3.6
57.07087	1.7
61.02908	2.6
67.05503	11.7
69.03426	5.5
70.06573	2.3
70.25223	6.0
71.04980	3.2
72.08137	1.7
73.02937	7.5
73.03259	1.5
81.03388	2.7
85.02911	9.8
85.06525	4.6
86.96538	1.6
87.04497	1.7
91.05447	1.7
95.04966	15.1
97.02881	6.1
98.09692	2.4
98.21436	1.8
98.97564	2.6
113.06011	100.0
115.03901	2.8
127.03880	2.3
128.98550	2.0
131.07047	96.1
135.04485	1.8
136.06174	1.7
145.04942	2.6
147.04393	3.2
158.05931	2.1
163.03851	5.1
174.69148	1.5
176.07018	2.6
177.07401	3.8
202.61931	1.7
237.02962	1.9
254.99258	1.6
293.12222	6.7
440.19958	1.8
442.10236	6.0
442.16977	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01872	5.4
55.05494	2.1
56.02643	0.8
56.71550	0.8
56.96570	1.1
57.03439	4.4
57.25901	0.7
61.02939	3.4
61.49804	0.7
65.03947	1.0
67.05501	5.0
68.99785	3.2
69.03430	18.7
69.07037	1.7
69.36975	5.4
70.06581	1.1
71.04980	2.9
73.02921	4.5
78.04715	3.5
79.05499	6.5
81.02970	1.1
81.03424	17.7
81.07057	5.0
82.04185	0.7
83.04984	2.2
85.02908	41.3
87.00831	14.0
89.46160	0.6
91.03955	1.8
91.05486	8.4
91.56059	0.7
93.07042	4.7
95.04977	3.8
95.08600	4.6
97.02898	24.0
97.06535	1.7
99.04438	7.7
99.26369	0.7
101.02345	1.1
103.03939	1.4
103.05464	3.0
105.01234	1.3
105.01872	10.2
105.07042	6.4
106.04160	1.4
107.04961	28.2
107.08578	3.5
109.02885	11.7
109.06535	1.7
109.10156	1.7
111.04518	0.8
112.72356	0.7
115.03922	2.1
115.05464	6.4
115.19724	0.7
116.06224	1.0
117.01836	3.2
117.05738	1.2
117.07014	3.8
119.04948	1.3
119.08572	4.3
120.05619	0.8
121.06510	2.4
121.10144	2.4
123.04433	6.1
123.08098	1.0
123.11722	1.4
124.05193	2.9
125.05972	1.0
125.62872	0.7
127.03925	22.9
128.06204	2.0
129.01833	2.7
129.07010	5.6
131.08574	5.2
132.05717	2.1
132.06757	1.1
133.06485	2.2
133.10123	1.5
134.03596	1.0
135.04391	1.2
135.08072	8.4
135.11656	0.7
137.05988	1.7
137.09615	1.1
141.06987	1.8
143.04935	1.6
143.08522	1.3
144.05710	2.4
145.04965	5.7
145.06485	3.9
145.10080	1.9
146.07292	0.9
147.02779	1.0
147.04353	1.7
147.08043	3.7
147.11708	2.5
149.05946	1.9
151.03903	2.2
151.07527	5.9
151.11263	0.7
152.04681	1.5
153.02141	3.1
157.06509	1.8
158.07190	1.2
159.02921	7.6
159.04170	1.3
159.08023	6.2
159.11728	1.7
161.05992	2.0
161.09627	1.7
161.13252	1.5
163.06432	0.5
163.07552	24.1
165.09111	4.1
167.07048	100.0
168.07445	0.9
169.06514	1.0
170.07236	0.8
171.08040	1.1
171.11726	1.7
173.06017	0.9
173.09622	1.6
174.06783	0.8
175.07544	8.3
177.05435	1.5
177.09105	0.9
179.08603	0.8
180.07854	1.9
181.04939	3.1
182.07268	1.3
183.08073	1.4
183.44995	0.9
185.06061	0.7
187.07556	12.5
188.08302	0.9
189.04024	1.4
189.09138	4.0
190.06226	1.2
191.07036	1.2
191.10707	3.3
192.07841	2.8
193.08635	1.3
195.03224	26.1
195.10175	44.3
197.09624	1.5
197.80591	0.8
199.07462	0.8
201.09048	1.8
203.07025	1.2
203.10709	0.8
204.07834	1.4
205.08609	8.7
206.09387	1.8
207.10173	17.4
207.13828	1.7
219.10143	6.2
221.11659	4.3
223.09645	1.3
225.09125	2.8
227.07063	0.9
229.08742	0.8
231.05055	3.0
231.10150	2.1
233.08029	1.1
233.11751	1.5
235.09659	3.2
237.11324	3.5
243.10176	0.8
247.09651	2.7
249.11279	3.4
253.08586	2.4
257.11752	1.3
261.11331	1.4
275.12793	1.9
281.17496	1.8
285.11285	3.4
303.12259	6.0
321.13446	1.3
323.29346	0.8
333.13394	1.4
399.20160	0.9
425.18411	1.0
425.30145	1.1
443.19125	1.4
443.25677	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05502	9.1
57.07064	8.8
62.63550	2.0
65.74728	2.1
67.05511	13.3
69.07069	15.8
71.05000	3.8
71.08643	2.5
74.46346	2.4
79.05498	6.4
81.07060	31.9
83.04991	3.4
83.08611	13.2
85.06551	19.6
87.04446	4.0
91.05489	6.2
93.07050	17.7
95.04964	4.8
95.08608	37.1
97.06553	2.7
97.10165	5.6
98.21487	7.1
99.04482	2.5
99.08096	2.8
100.20738	2.4
105.07021	17.9
107.08596	26.6
109.06532	4.5
109.10169	28.7
111.08070	4.4
119.08587	21.4
121.10165	21.7
123.08076	7.2
123.11683	12.6
125.09724	2.9
127.07499	2.7
131.08562	10.0
133.10136	16.3
135.11678	12.6
137.13239	3.7
138.89801	2.4
143.08577	3.6
145.10162	14.0
147.11720	7.5
149.09590	2.5
149.13271	8.2
151.11191	2.7
155.07063	3.6
157.10152	6.8
159.11726	13.6
161.13286	9.7
163.11192	2.8
163.14877	6.6
165.09108	4.4
165.12798	3.0
171.11720	6.9
173.13272	9.4
175.14861	6.8
177.12759	3.1
177.16396	2.9
185.13319	5.4
187.14853	7.3
189.16380	6.2
191.17964	5.0
193.15967	2.6
197.31604	2.4
199.14859	5.5
201.16429	7.3
203.18033	4.5
205.15869	4.4
207.17401	4.4
213.16409	2.6
215.17996	4.8
217.15862	3.6
219.17491	4.4
227.18098	3.8
233.19160	2.4
241.19521	4.4
245.19110	2.4
255.21201	3.9
257.18982	3.9
378.18481	2.3
389.32162	4.5
407.33069	16.8
420.33328	2.5
425.34164	45.5
443.33676	100.0
444.33566	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05513	2.5
57.07061	1.2
59.50692	0.4
67.05505	3.8
69.03420	0.5
69.07069	4.1
69.39322	3.8
71.04997	2.2
79.05495	3.0
81.07059	9.0
81.29081	0.4
83.04982	0.5
83.08636	2.4
85.06538	2.4
88.15280	0.4
91.05480	4.1
93.07053	8.8
95.04956	0.5
95.08611	14.4
97.06521	1.0
97.10206	1.0
105.07036	9.8
107.08601	13.3
109.06528	1.7
109.09442	0.8
109.10159	10.6
109.94871	0.4
111.08082	1.7
113.09629	0.4
117.07030	0.8
119.08585	11.3
121.10151	8.3
123.08086	1.4
123.11725	4.7
125.09615	0.7
127.11209	1.0
129.06992	0.8
131.08569	2.8
133.10139	12.0
135.08075	0.4
135.11696	12.1
137.09618	0.8
137.13261	1.5
143.08559	2.8
145.10138	5.6
147.08069	1.8
147.11697	8.6
149.09656	0.8
149.13275	5.1
151.11165	1.5
151.19421	0.5
157.10143	2.7
159.11687	6.1
161.09627	1.2
161.13251	6.6
163.11151	0.7
163.14856	3.0
165.12781	0.5
169.10146	0.9
171.11714	2.0
173.13249	2.2
175.11172	0.9
175.14803	4.3
177.12747	4.3
177.16415	1.7
183.11635	1.2
185.13246	3.6
187.14825	5.3
189.12802	0.8
189.16402	7.4
191.14397	0.7
191.17891	1.0
197.13316	1.1
199.14836	2.0
201.16418	3.9
203.14331	7.9
203.17966	6.1
205.15936	1.7
205.19553	0.4
207.17496	4.4
211.14848	1.2
213.16434	1.3
215.14380	0.7
215.17972	1.1
217.15886	1.3
217.19489	0.6
221.18947	0.7
227.17966	0.7
229.15874	0.9
231.17441	0.9
241.19588	0.9
243.17488	0.6
251.14691	0.5
253.19579	1.8
255.21185	0.9
259.20547	0.6
267.21143	0.9
271.20547	2.9
273.22235	1.3
283.20529	0.7
285.22168	0.5
299.23648	0.5
309.22021	0.6
337.25220	0.6
351.26770	0.6
357.20599	0.7
389.32092	0.7
407.33203	7.0
425.34366	4.0
443.35263	100.0
444.35690	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03957	1.1
54.98384	1.2
55.01876	4.0
55.05514	18.0
57.07075	4.3
65.03938	1.2
67.05503	11.5
69.03427	2.0
69.06709	2.1
69.07074	30.4
71.05006	1.7
71.08637	1.2
71.26855	1.9
72.58883	1.1
72.96188	1.1
79.05495	5.0
81.07062	23.4
83.05000	1.9
83.08622	20.5
85.06561	1.8
87.04484	1.9
91.05495	4.2
93.07053	11.3
95.04968	1.9
95.08617	32.9
95.09221	1.6
97.06540	5.5
97.10182	3.0
99.08117	1.2
105.07040	9.3
107.07881	0.8
107.08602	21.5
107.09283	1.7
109.06539	2.6
109.10162	36.5
110.10515	1.2
111.08076	6.7
111.11687	6.0
117.07021	1.2
119.08577	10.8
121.10159	18.7
123.08102	1.7
123.11735	11.9
127.11216	4.2
129.95500	1.2
131.08600	3.6
133.10155	9.0
135.08092	4.7
135.11708	13.0
137.05971	1.3
137.09639	2.5
137.13264	6.4
139.07579	2.3
139.11256	1.3
143.08643	1.4
145.10129	5.4
147.11681	6.5
149.13277	8.5
151.07526	2.3
151.14842	2.5
153.09084	1.2
153.12799	5.0
155.07385	1.1
155.08650	1.1
156.09451	1.2
157.10110	1.8
159.11748	4.5
160.07605	2.3
161.09665	2.6
161.13297	4.6
163.07477	1.4
163.14848	7.0
165.09171	1.9
167.10735	2.0
169.10138	1.0
171.11757	3.3
173.13301	3.3
175.11195	1.6
175.14876	4.9
177.16447	4.4
179.10823	1.1
185.13255	1.1
187.14896	3.5
189.16451	3.6
191.18034	3.3
199.15063	1.7
201.16478	2.2
203.18027	3.0
205.16040	1.2
205.19507	1.5
207.13846	1.3
215.18059	2.7
217.19632	2.6
219.21049	2.3
227.17967	1.5
243.21318	1.3
249.14825	1.3
259.20709	1.3
277.21869	2.0
287.20447	1.4
334.42303	1.1
343.26352	2.1
351.27075	1.1
355.25961	1.2
369.27979	1.7
383.33334	2.0
407.33365	2.4
425.34229	14.1
443.35223	100.0
444.35626	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05524	24.8
57.07074	9.6
67.05505	31.5
68.39009	3.9
69.07073	35.0
71.04981	16.9
71.61073	8.4
79.05502	20.3
81.07066	69.2
83.08624	18.2
87.04459	5.5
91.05470	16.3
93.07053	57.2
94.42950	3.7
95.04991	4.8
95.08609	96.1
97.10171	11.3
99.08052	5.2
105.07024	27.9
107.08605	75.3
109.10164	100.0
111.08066	5.8
119.08595	41.7
121.10155	53.7
123.11705	49.6
127.11198	17.3
131.08601	9.0
133.10124	25.9
135.11711	63.0
137.13251	17.0
139.11166	7.7
141.12695	4.6
145.10159	11.6
147.11697	36.3
149.13255	38.3
151.14873	7.1
153.12685	11.0
157.09999	4.1
159.11691	22.0
161.13304	26.2
163.14854	22.2
167.14336	5.2
173.13248	16.7
175.14833	18.1
177.16426	21.1
179.14317	7.2
187.14822	15.5
189.16379	17.2
191.17957	18.7
195.17461	14.3
201.16312	11.3
203.18001	15.9
215.17981	8.9
217.19579	15.5
229.19608	21.2
231.21106	14.7
233.19064	4.9
257.22742	5.1
259.24249	4.2
278.01181	4.2
285.25674	5.7
315.27325	4.1
407.36670	5.1
408.37482	5.2
425.37839	59.2
443.33450	35.2
443.39090	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.4
57.01760	6.0
57.07071	16.5
67.05503	22.4
69.07065	37.7
71.05004	8.6
71.08618	9.7
71.61615	10.5
79.05499	13.9
81.07063	53.5
83.08625	32.9
87.04452	11.9
91.05496	18.1
93.07034	43.5
95.08617	78.3
97.10184	13.6
99.53967	6.0
105.07030	23.3
107.08605	55.2
109.10162	64.4
119.08589	27.2
121.10146	43.3
123.11709	23.2
127.11225	10.6
131.08527	12.5
133.10135	24.8
135.11795	29.5
137.13255	13.5
145.10136	21.9
147.11671	20.1
149.13248	22.7
157.10107	8.6
159.11685	20.3
161.13252	17.0
163.14832	15.0
165.09111	19.8
173.13245	12.6
175.14818	14.0
177.16405	17.0
187.14832	12.7
188.28859	6.0
189.16457	14.8
191.17964	20.9
201.16473	7.5
203.18002	9.3
215.17963	7.6
229.19551	12.7
231.21129	6.7
234.46390	5.9
257.37927	6.3
425.38586	31.8
443.33609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.64691	4.3
53.03961	5.1
55.05500	19.6
57.07065	15.2
58.84178	3.9
67.05511	28.6
69.07072	37.8
69.60314	24.7
70.97250	3.4
71.08628	5.7
73.02905	7.4
79.05483	14.2
81.07057	73.2
83.08611	17.1
83.25311	4.5
87.04438	5.6
91.05485	10.4
92.30971	4.1
93.07042	25.0
95.08605	100.0
97.10154	10.2
98.21507	4.9
105.06343	4.4
105.06993	25.2
107.08600	60.0
109.06526	4.8
109.10157	77.9
111.11759	9.2
119.08583	35.4
121.10148	34.4
123.11714	36.4
125.09624	6.6
131.08551	6.1
133.10107	34.8
135.11687	43.0
137.13248	20.6
143.84357	3.8
145.10121	14.1
147.11642	26.9
149.09625	6.1
149.13277	25.4
151.11218	5.2
153.12711	4.2
154.32722	3.9
159.11681	15.6
161.13261	21.6
163.14818	17.1
165.09117	5.9
173.13309	6.2
175.14818	14.2
177.16367	15.2
179.15919	5.0
187.14893	4.9
189.16339	27.3
191.17949	19.7
193.63109	4.3
201.16418	6.5
203.17979	17.9
205.19476	16.6
207.17509	23.6
215.17963	10.3
217.19481	20.2
218.55136	4.4
221.19011	18.1
227.17928	4.6
229.19502	8.0
231.21065	9.2
245.22658	13.6
271.24158	6.2
325.75674	4.1
327.65628	4.3
331.47754	4.3
407.36615	11.6
425.38126	38.3
443.33237	37.0
443.39316	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03447	2.2
59.05010	1.7
61.02921	1.7
68.66163	0.3
69.03432	6.8
70.06586	0.6
70.14296	0.3
70.84339	0.3
71.04977	0.9
73.02936	0.4
73.04745	0.5
75.04487	0.7
76.70503	0.3
81.03411	1.0
82.06556	0.3
83.01367	0.3
84.04496	0.5
84.08165	0.4
85.02419	0.6
85.02911	10.1
85.03423	0.6
85.06519	0.3
87.04472	5.1
89.06085	0.3
97.02898	4.6
98.97575	0.9
99.04455	0.9
101.06027	3.1
109.02883	0.8
110.97592	0.3
111.04453	0.7
115.03922	2.2
119.03546	1.2
120.08086	0.9
121.02876	0.7
122.07217	0.5
127.03931	1.4
129.05478	1.2
136.06190	100.0
137.04587	0.6
145.02875	0.5
145.04912	0.6
147.04482	0.6
147.06534	5.1
163.03911	0.8
166.08658	0.5
167.07082	0.4
176.07129	0.5
177.05490	0.5
177.07436	0.5
211.52582	0.3
218.46269	0.3
219.84108	0.3
237.02892	0.4
249.26819	0.3
281.11227	0.3
282.11954	10.7
298.11578	1.2
338.46597	0.3
393.94751	0.3
444.17249	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	444.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01871	1.9
55.05497	1.2
56.96575	1.0
57.03222	0.8
57.03441	10.2
60.04507	1.2
61.02928	1.4
68.99783	3.2
69.03431	23.7
70.06615	1.1
70.65200	3.2
71.04989	4.5
73.02906	3.3
79.05476	1.0
81.02972	1.6
81.03423	26.2
81.07022	1.4
83.01362	1.0
84.04501	1.1
85.02412	1.8
85.02910	30.8
87.00835	3.1
93.07054	2.0
95.04954	0.9
95.08595	2.0
97.02899	37.5
97.06551	1.1
98.06038	0.9
99.04460	8.3
101.02384	58.7
105.07022	2.2
107.08619	1.3
108.04484	9.9
109.02888	34.6
109.10140	0.9
115.03895	1.3
118.08637	1.6
119.03422	100.0
119.08499	0.9
126.05512	4.2
127.03926	42.0
131.03413	12.0
133.06470	2.5
136.06190	3.4
137.06021	5.1
145.04968	18.4
151.07585	0.9
161.04488	2.1
165.09120	5.8
173.04463	23.4
177.09071	2.0
189.09218	2.0
192.18753	0.9
192.96548	0.9
197.04463	1.8
201.09131	1.5
203.05507	1.6
227.05566	4.1
244.08173	1.8
245.06548	8.1
255.10074	1.8
262.09329	1.6
273.11276	1.6
444.25940	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	445.111
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
58.88057	2.6
61.55844	3.3
64.77058	2.7
68.33647	3.4
69.03439	3.3
69.87547	17.2
71.04107	2.6
85.02900	4.7
97.02911	3.3
98.20920	5.9
98.21434	2.9
98.97599	4.6
110.75707	3.3
124.55975	3.0
130.60413	2.7
131.36902	3.1
152.05676	6.1
167.09232	6.4
183.84286	3.5
219.01910	4.5
415.00455	3.2
445.11124	100.0
445.17416	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	445.1106
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
52.37336	3.8
57.00873	3.9
59.08183	4.2
68.31336	4.3
69.60681	9.7
69.61089	17.9
78.01830	3.5
98.20773	4.8
109.91122	3.7
141.53961	4.6
156.04181	9.0
345.93698	4.4
398.67856	4.7
445.05096	24.9
445.11047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	30.1
57.03442	5.3
59.04989	9.5
60.81662	4.8
67.05492	6.6
69.03415	15.7
70.06584	18.5
71.20272	5.1
71.20618	9.8
72.60645	4.6
73.02910	6.0
73.04755	40.1
81.03419	9.6
84.08138	14.3
84.96046	11.3
85.02914	35.6
86.06081	4.7
89.03898	6.6
91.05818	82.3
97.02876	18.7
98.97588	90.7
99.04469	5.7
100.94344	5.5
107.04965	5.7
109.02895	6.4
110.97567	15.1
116.98633	34.1
117.03371	6.1
121.02846	57.4
123.07889	5.5
127.03929	11.3
128.98628	28.2
131.53488	4.9
134.99644	11.5
135.04407	9.1
136.06206	8.6
137.04565	36.1
137.05492	5.3
137.05998	4.8
139.03917	7.2
143.00146	8.1
145.02895	8.8
145.04959	7.1
146.99644	17.8
147.06506	7.5
158.99643	8.2
160.07576	15.2
161.01225	9.7
163.03943	48.1
167.05536	34.4
167.07011	13.8
170.99664	10.3
177.00655	14.1
177.05453	10.4
189.00729	8.1
189.06679	7.1
199.34213	4.9
201.00697	8.7
219.01773	31.8
225.04263	22.4
227.02180	9.8
229.00145	7.8
237.02870	45.7
241.56670	5.4
242.07220	18.3
245.11325	6.7
252.34106	4.9
260.02112	10.0
265.03961	8.6
268.02591	9.8
283.04813	7.4
289.62448	4.8
301.06305	5.7
307.04782	13.1
309.08658	7.6
325.05893	20.6
342.99692	6.7
359.02808	47.9
367.06995	11.2
373.04327	10.4
400.10345	6.6
445.11346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.91240	1.1
55.01859	3.2
55.05501	3.1
56.96577	1.4
57.03446	2.3
61.02907	2.0
67.05492	2.8
68.99780	1.6
69.03117	1.0
69.03437	11.3
69.48433	8.0
69.52258	0.9
70.06579	3.8
71.04995	1.3
72.08139	2.4
73.04739	1.6
75.90372	1.0
79.05484	3.0
81.03429	9.6
81.07050	5.2
83.04985	1.3
85.02910	15.7
85.06499	1.2
86.09694	3.4
87.00838	5.1
91.05447	13.0
93.07042	7.6
95.04943	2.1
95.08598	3.3
97.02891	6.4
97.10160	1.1
99.04435	3.1
102.05527	1.3
105.01874	2.4
105.07020	7.3
107.04939	1.8
107.08603	28.6
109.02878	6.9
109.06515	2.0
109.10141	1.5
111.04414	1.5
117.01871	1.3
119.04963	12.7
119.08588	5.5
120.08084	1.2
121.02869	5.7
121.06462	1.5
121.10146	6.1
123.08027	1.3
125.09644	1.7
127.03916	10.6
133.10141	17.9
135.04402	1.2
135.11673	2.6
137.05960	2.1
139.07588	1.3
145.02844	2.2
145.04898	2.4
145.10059	1.5
147.04424	6.6
149.09607	4.0
151.07614	1.7
151.11142	6.9
157.03960	1.6
159.02948	1.9
161.09619	4.9
165.01801	3.3
167.05540	1.0
167.10672	11.4
169.07585	1.8
175.03903	14.0
177.05470	6.2
179.07033	1.7
179.10663	16.5
183.02916	1.6
197.11742	100.0
207.06541	32.5
225.06799	1.0
226.80602	1.1
231.04857	2.1
237.02840	1.4
281.51593	1.0
283.05908	11.6
283.15350	1.8
289.71124	1.2
313.07504	1.8
359.02942	2.3
369.12173	1.4
397.09198	1.5
409.08887	1.4
427.10199	1.3
427.16068	1.3
445.24557	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.91240	1.1
55.01859	3.2
55.05501	3.1
56.96577	1.4
57.03446	2.3
61.02907	2.0
67.05492	2.8
68.99780	1.6
69.03117	1.0
69.03437	11.3
69.48433	8.0
69.52258	0.9
70.06579	3.8
71.04995	1.3
72.08139	2.4
73.04739	1.6
75.90372	1.0
79.05484	3.0
81.03429	9.6
81.07050	5.2
83.04985	1.3
85.02910	15.7
85.06499	1.2
86.09694	3.4
87.00838	5.1
91.05447	13.0
93.07042	7.6
95.04943	2.1
95.08598	3.3
97.02891	6.4
97.10160	1.1
99.04435	3.1
102.05527	1.3
105.01874	2.4
105.07020	7.3
107.04939	1.8
107.08603	28.6
109.02878	6.9
109.06515	2.0
109.10141	1.5
111.04414	1.5
117.01871	1.3
119.04963	12.7
119.08588	5.5
120.08084	1.2
121.02869	5.7
121.06462	1.5
121.10146	6.1
123.08027	1.3
125.09644	1.7
127.03916	10.6
133.10141	17.9
135.04402	1.2
135.11673	2.6
137.05960	2.1
139.07588	1.3
145.02844	2.2
145.04898	2.4
145.10059	1.5
147.04424	6.6
149.09607	4.0
151.07614	1.7
151.11142	6.9
157.03960	1.6
159.02948	1.9
161.09619	4.9
165.01801	3.3
167.05540	1.0
167.10672	11.4
169.07585	1.8
175.03903	14.0
177.05470	6.2
179.07033	1.7
179.10663	16.5
183.02916	1.6
197.11742	100.0
207.06541	32.5
225.06799	1.0
226.80602	1.1
231.04857	2.1
237.02840	1.4
281.51593	1.0
283.05908	11.6
283.15350	1.8
289.71124	1.2
313.07504	1.8
359.02942	2.3
369.12173	1.4
397.09198	1.5
409.08887	1.4
427.10199	1.3
427.16068	1.3
445.24557	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	445.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01870	3.9
57.03186	2.7
57.03444	44.1
61.02929	18.7
69.03072	2.4
69.03430	39.0
69.37972	18.9
70.03775	2.0
70.06599	2.1
71.01356	5.7
72.08145	4.7
73.02921	100.0
73.04756	3.6
74.08251	2.1
74.64180	1.8
75.05070	1.8
79.05495	3.6
80.27135	2.2
81.03416	7.5
81.10914	1.8
85.02911	81.9
85.03425	4.6
85.06582	3.9
86.09700	4.1
87.04494	5.1
91.03938	6.1
93.07050	2.6
97.02898	64.0
99.04471	4.9
104.42077	2.2
107.04977	7.6
107.08581	2.0
109.02879	7.4
115.03938	56.2
121.02862	10.7
127.03909	25.6
131.04953	2.8
132.06563	2.1
133.04970	18.7
134.06001	5.9
135.11696	2.2
145.03035	2.0
145.04971	51.2
145.06119	2.8
147.04401	2.6
150.07600	7.4
158.06093	4.0
163.06042	12.8
177.05461	3.5
223.06087	4.5
241.07147	5.8
246.05045	3.0
248.09268	2.2
259.08279	4.5
266.10297	23.3
274.70090	2.0
279.47629	2.3
295.06018	2.5
295.10233	6.4
313.13791	2.8
324.16257	2.1
359.02832	4.9
420.43100	2.3
428.15228	4.7
445.20810	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	445.205
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
50.05763	1.2
53.03949	1.4
53.29752	1.1
55.05513	3.9
55.91248	1.1
56.96564	3.6
57.03441	1.4
61.02914	1.3
67.05510	7.6
69.03429	4.9
69.07067	4.7
71.05005	2.1
71.60964	1.7
73.04747	1.9
73.10338	1.0
79.05497	5.4
81.03419	5.9
81.07068	10.7
83.04986	2.4
83.08636	2.2
84.96047	1.4
85.02926	5.2
85.06543	1.5
91.03963	1.2
91.05432	5.5
93.07051	7.9
95.04970	3.3
95.08616	10.5
97.02923	4.0
97.06552	2.7
97.10151	1.3
98.97616	2.3
99.04424	1.8
104.94245	1.1
105.07047	8.3
107.04963	1.7
107.08627	6.2
109.02876	2.8
109.06532	3.4
109.10178	5.7
111.04457	1.6
116.98648	1.2
117.06996	1.2
119.04930	1.1
119.08596	3.6
121.02911	2.7
121.06515	2.5
121.10170	4.6
123.08083	5.0
123.11744	3.1
125.09635	2.3
127.03899	2.5
131.08597	2.5
133.10132	4.0
135.08084	2.7
135.11717	2.3
137.05989	2.9
139.03955	1.2
145.10150	5.0
147.04515	1.1
147.11694	1.6
149.09709	1.9
149.13248	2.1
151.07556	37.2
155.08508	1.7
157.10202	2.0
159.08014	2.3
159.11739	2.1
161.13345	1.4
163.11224	1.5
165.09154	4.4
167.05632	1.8
167.06990	2.6
167.62997	1.1
171.11682	1.6
173.06258	1.1
173.09645	1.5
173.62962	1.1
175.07614	1.5
175.11266	1.8
175.14838	1.2
177.05521	1.4
177.09137	1.2
181.12340	1.4
185.13142	1.5
189.12761	1.7
191.10683	5.5
193.12268	2.2
197.13417	1.1
197.15152	2.4
199.11140	1.4
201.16420	1.1
203.10669	1.2
205.12352	1.5
213.12999	1.3
225.04497	1.2
227.05328	2.1
267.09045	2.8
285.10092	2.0
315.10986	2.9
324.11316	1.6
359.02969	1.9
359.20413	7.1
377.20172	1.6
401.21497	38.4
420.17307	1.7
445.20514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05515	21.0
57.03445	6.9
57.07077	8.9
59.27158	0.7
67.05521	3.9
69.06710	1.3
69.07075	23.8
69.42054	0.7
70.18618	1.0
70.19021	2.0
71.08643	5.1
79.05476	2.4
81.07059	5.5
83.08624	16.2
85.10178	1.9
93.07062	3.8
95.08607	6.1
97.06508	1.5
97.10177	11.0
105.07016	1.5
107.08600	3.6
109.10171	2.3
111.08048	1.3
111.11732	2.6
119.08614	1.6
121.10166	3.3
123.11750	0.9
127.99477	0.7
133.10175	1.3
134.98195	100.0
135.11684	1.5
137.13332	0.7
145.10156	1.0
147.11702	0.8
149.13258	0.9
151.09836	0.8
152.99249	0.8
157.10132	1.0
176.00880	1.1
187.11314	0.8
209.01888	1.3
311.25812	32.6
312.26178	1.3
333.23944	8.6
340.27740	1.0
351.25183	0.9
417.98138	0.8
427.32010	1.8
445.23346	40.7
445.28461	1.4
445.33023	1.7
446.23471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72904	0.7
52.07413	0.7
52.51181	0.7
53.03940	1.2
55.05259	1.2
55.05513	21.0
57.03436	7.1
57.07078	7.8
67.05490	4.8
69.07070	22.7
70.71499	2.2
71.08636	5.5
73.04762	2.4
79.05476	2.6
81.07056	4.7
81.29502	0.7
83.04950	0.7
83.08621	20.5
85.10178	2.6
88.02178	1.1
91.05831	1.6
93.07043	2.7
95.08637	3.9
97.06525	2.2
97.10175	12.0
107.08582	3.9
109.10169	1.5
110.97314	0.7
111.08093	0.9
111.11725	3.5
121.10117	2.2
123.11689	1.4
134.98190	100.0
135.11678	2.4
149.13234	0.8
167.05553	1.2
176.00880	1.4
187.11237	1.1
191.52486	0.7
209.01813	1.0
219.21115	0.8
267.19910	0.7
311.25818	32.9
333.24026	9.6
343.00003	0.8
359.02832	3.1
409.12198	0.9
445.23294	50.4
445.33032	1.5
446.23434	1.6
446.91052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14091	1.7
53.03942	2.3
55.01859	2.7
55.05518	9.6
57.03440	11.1
57.07062	2.8
65.03929	1.7
67.05504	28.9
68.39014	1.6
69.07071	10.6
69.64553	11.0
71.04971	2.5
73.26331	2.0
79.05495	25.8
81.03412	3.8
81.07060	33.1
83.04980	3.1
83.08613	6.0
85.02826	1.6
85.06543	2.3
91.05461	30.6
93.07047	34.1
95.04990	2.7
95.08608	22.4
97.02875	2.1
97.06534	4.6
97.10125	2.6
99.04449	2.2
105.07030	34.0
107.08607	24.5
109.06508	2.6
109.10170	11.1
111.04437	1.8
113.00021	65.0
115.05524	2.1
117.07008	7.6
119.08584	34.1
121.06524	2.0
121.07375	1.8
121.10146	19.1
123.08017	2.9
123.11695	5.5
129.05466	4.2
129.06987	6.5
131.08556	20.5
133.10147	27.8
135.08043	3.1
135.11691	18.3
137.09564	2.1
137.13286	2.0
141.06961	2.1
143.08553	7.9
145.10110	13.1
147.11682	21.7
149.09650	3.1
149.13226	9.1
153.09171	2.0
157.10159	8.5
159.11684	13.7
161.09651	2.1
161.13260	24.0
163.11235	2.8
163.14807	7.7
169.02615	6.2
169.10057	2.2
171.11649	9.0
173.13268	13.3
175.11201	1.9
175.14836	17.6
177.12857	2.1
181.57651	1.6
185.13287	10.7
187.03642	12.8
187.14807	4.5
189.12933	1.7
199.14838	5.7
201.16380	1.9
203.14339	2.6
213.16412	2.5
215.17941	5.9
216.52425	2.1
217.19539	5.4
231.21045	4.4
241.19507	38.2
243.21059	5.4
259.20590	29.0
277.21729	2.8
304.52905	1.7
315.23047	4.5
333.24249	100.0
408.51837	1.7
445.29276	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	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.2
55.01867	4.4
55.05516	11.0
56.96568	1.7
57.03222	1.3
57.03445	15.1
61.02902	2.0
61.11313	1.0
61.93598	1.2
65.03950	2.9
67.05514	50.4
67.90876	1.0
69.03433	19.9
69.07074	9.8
70.06605	1.4
71.01347	2.0
71.05000	100.0
71.61153	1.7
73.02917	1.7
76.22413	1.1
79.05505	22.8
81.03429	30.4
81.07066	72.3
83.04976	11.5
83.08608	4.6
84.69469	1.2
85.02916	11.6
85.06560	9.3
87.04478	2.5
91.05472	44.5
93.07050	20.1
95.04964	6.2
95.08616	15.6
97.02902	36.5
97.06536	9.4
98.97582	1.8
99.04473	6.5
99.08107	2.4
103.03964	3.9
105.07043	24.1
107.04972	5.3
107.08604	18.9
109.02899	9.0
109.06499	5.0
109.10154	13.9
111.04448	5.8
111.08085	2.7
117.07036	3.3
119.04974	2.2
119.08563	6.7
121.02865	4.2
121.06501	3.0
121.10157	7.2
123.04398	1.6
123.08066	3.5
123.11723	13.4
125.09656	1.9
127.03930	11.0
129.05504	5.6
129.07028	2.0
131.08612	6.3
133.10141	30.2
135.08038	2.8
135.11676	4.8
136.06190	2.1
137.05974	2.6
137.09607	2.2
145.04991	1.7
145.10165	3.7
147.04413	1.8
147.08110	1.8
147.11688	3.3
149.09648	2.9
149.13281	7.8
151.03894	1.9
151.07555	6.6
151.11229	17.3
153.05530	1.3
157.10136	2.9
159.08067	1.5
159.11711	9.5
161.06075	1.2
161.09625	1.5
161.13335	2.0
163.03873	1.4
163.11201	1.5
165.09135	4.3
165.12845	1.6
167.05609	1.9
167.07056	2.7
169.12280	3.8
171.11685	1.9
173.04524	7.1
173.13336	1.4
175.11192	2.6
177.05457	1.3
177.09074	1.9
177.12740	6.6
183.13867	7.9
183.15491	1.4
187.13315	28.0
191.10760	1.6
195.13780	7.1
201.14870	16.5
207.06662	1.6
213.14815	1.9
217.12411	1.3
221.15352	1.4
229.16267	1.8
233.15343	1.6
239.16452	2.2
241.17972	1.6
243.16023	4.6
249.14848	1.2
254.17574	2.1
255.17847	3.8
257.17511	59.1
259.20947	1.6
267.16150	1.2
269.17526	5.9
279.73965	1.4
283.19058	2.0
301.20248	9.0
321.17023	2.5
339.18103	4.2
355.63303	1.1
359.02881	1.4
369.18881	1.7
394.26508	1.3
395.20572	3.2
407.43182	1.3
413.21829	11.1
433.09833	1.4
445.24408	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	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01881	4.1
55.05517	16.8
57.03437	2.9
57.07076	2.6
57.12745	1.7
64.08103	1.6
65.03944	3.9
67.05513	46.0
69.03422	3.2
69.07065	13.0
70.85193	4.7
71.05001	5.3
73.04770	2.1
79.05501	36.6
81.03429	3.2
81.07061	45.5
83.04973	5.6
83.08628	10.4
85.06550	4.4
91.05480	54.5
93.07056	35.2
95.04978	6.6
95.08619	32.7
97.02914	1.9
97.06538	4.5
97.10174	3.0
103.05487	4.5
104.51916	1.6
105.07035	55.7
107.04982	5.6
107.08597	19.4
109.06522	6.0
109.10205	10.3
115.05472	3.7
115.61616	1.6
117.07028	25.0
119.07780	2.3
119.08599	33.3
121.06512	6.1
121.10160	15.6
123.08113	3.5
123.11733	3.1
125.09664	3.7
128.06238	5.1
129.07016	20.1
130.07816	2.8
131.08582	39.7
133.06458	2.7
133.10141	22.3
135.08061	4.1
135.11703	9.2
137.09621	3.2
137.13281	1.9
141.07021	7.4
142.07860	3.0
143.08585	15.1
145.10144	21.6
147.08049	3.8
147.11734	5.0
149.09619	4.0
151.11183	2.2
155.08569	11.9
157.10147	11.2
159.08110	2.4
159.11690	11.8
161.09532	2.1
161.13257	3.4
163.11176	3.8
165.06885	2.1
166.46780	1.7
167.08566	4.5
169.10153	8.6
171.08011	2.0
171.11671	8.8
173.09621	4.0
173.13254	5.0
175.14891	3.5
181.10210	4.1
183.11736	6.5
185.13280	4.8
187.14795	4.7
189.12709	2.3
191.10652	1.9
191.14362	2.4
195.11705	5.6
197.13283	5.1
199.14844	3.9
201.12717	2.2
209.13351	2.9
211.14882	3.6
215.14297	2.4
215.17874	1.8
223.14821	5.0
233.15422	2.5
241.15869	2.5
247.17047	4.4
250.02432	1.5
259.17017	2.2
261.14789	1.8
261.18494	1.8
325.25284	4.8
333.04727	1.9
335.23743	4.7
343.26505	4.4
353.24896	20.9
355.15652	1.9
359.02798	2.0
371.25797	15.5
389.26794	17.3
427.28226	3.9
445.29514	100.0
446.30014	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	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.7
55.05515	41.7
57.06819	4.3
57.07082	78.1
67.05510	28.2
69.07075	66.5
69.23615	39.0
71.08638	56.6
73.04764	4.1
79.05476	16.5
80.47010	3.0
81.07065	48.8
83.01348	13.5
83.04985	10.0
83.08627	52.8
84.84721	3.3
85.10198	26.1
91.05489	13.7
93.07046	22.8
95.08621	41.0
97.02867	5.3
97.10181	35.3
98.21445	6.8
99.04433	7.2
105.07024	19.6
107.08614	21.6
109.06526	56.9
109.10171	30.2
111.08081	5.5
111.11739	18.4
119.07845	3.2
119.08560	17.6
121.06532	8.1
121.10158	19.0
123.08069	14.3
123.11705	11.2
125.06024	7.1
125.13283	6.8
131.08565	10.6
133.10130	14.4
135.08051	24.1
135.11723	8.4
135.50798	3.7
137.05991	100.0
137.09622	13.3
139.07550	41.2
143.08615	6.3
145.10164	7.7
147.08145	4.6
147.11670	10.0
149.09593	20.4
149.13220	6.5
151.07565	41.5
151.11211	4.9
153.09131	7.9
156.09337	4.2
157.10159	8.0
159.08144	4.0
159.11656	8.4
160.08875	4.9
161.09677	17.8
161.13333	8.3
161.14635	3.6
163.07567	12.5
163.11209	8.6
163.14856	8.0
165.05466	5.8
165.09120	53.5
167.07027	7.5
169.08617	4.1
171.11685	12.5
173.09628	8.7
174.10356	6.3
175.07533	4.2
175.11195	20.5
177.09135	18.2
179.07028	3.7
179.10675	13.3
181.08586	3.6
185.13280	8.2
187.11304	4.4
189.09135	5.1
189.12788	21.1
191.10692	9.3
191.14360	3.8
193.08617	6.6
193.12308	17.8
202.09895	13.7
203.10609	16.4
203.14355	9.5
205.12315	11.9
207.13849	13.5
217.12216	5.4
217.15936	5.9
219.13797	3.6
221.11850	4.7
221.15337	8.7
231.13841	9.5
231.17517	4.4
235.13541	5.0
235.17010	9.3
244.05528	3.5
249.18613	4.3
259.20303	3.9
263.20032	8.0
277.21533	6.7
291.23285	6.4
307.30237	4.6
333.27914	5.5
385.34589	24.6
399.36285	27.1
403.35861	17.6
409.34686	4.6
417.37225	42.6
427.35941	24.4
445.30954	5.6
445.36627	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.9
57.07081	4.2
62.99150	0.7
67.05512	5.5
67.30579	0.7
69.07069	16.6
69.21796	7.7
71.08640	3.0
75.21681	0.7
78.73280	0.8
79.05502	2.9
81.07071	8.1
83.08628	11.2
89.44292	0.8
91.05520	2.7
93.07052	3.7
95.04984	1.7
95.08618	7.4
97.10168	4.2
98.21514	1.4
101.25301	0.8
105.07049	2.9
106.43141	0.8
107.08603	5.4
109.10162	8.3
110.11901	0.7
111.08084	1.0
111.11742	2.7
119.08595	3.3
121.06525	1.4
121.10184	2.7
121.55515	0.8
122.07294	1.1
123.08096	1.3
123.11731	2.8
125.13323	0.9
131.08582	1.7
133.10143	2.3
135.08067	2.9
135.11691	2.7
137.09619	8.0
137.13301	1.1
139.07561	0.9
142.07848	0.7
145.10132	1.7
147.11679	1.5
149.09622	9.5
149.13315	1.0
151.07576	1.0
156.09447	0.7
157.10139	1.2
159.08116	1.4
159.11665	1.4
163.11185	9.6
165.09125	100.0
166.09479	1.5
171.11755	1.0
173.09616	1.1
175.11197	3.5
177.09094	5.4
177.12758	0.9
179.10753	1.4
183.11803	0.8
187.11180	1.8
189.09184	1.7
189.12820	2.1
190.09888	1.1
191.10680	6.0
193.40337	0.8
199.11208	2.8
201.12737	1.7
203.10800	4.2
203.14381	1.3
205.12257	6.5
217.12407	1.0
219.10172	0.8
219.13831	2.3
231.13899	1.2
275.19916	0.9
293.28220	1.3
371.29211	0.8
387.15884	1.3
401.17670	1.1
409.34534	1.0
415.15329	2.2
417.21118	1.0
427.35742	5.8
429.16852	1.8
430.17715	3.0
445.20050	25.7
445.29791	1.5
445.37283	6.9
446.20789	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	445.3681
Annotation	globosterol
Peak:m/z	Relative Intensity
50.55151	2.1
53.03938	2.5
55.05303	2.3
55.05521	32.8
57.07078	31.9
62.96060	2.3
65.03930	2.6
67.05161	2.9
67.05506	36.5
69.03419	3.1
69.06712	3.6
69.07072	62.7
69.48058	5.6
69.48459	13.4
69.75257	2.4
71.01337	4.1
71.04985	7.0
71.08640	27.6
79.05504	28.1
81.07063	83.4
83.08628	26.0
85.06557	6.8
85.10182	18.6
91.05490	27.8
93.07051	52.5
95.04951	4.3
95.08615	100.0
97.06539	5.5
97.10181	20.0
98.21551	4.8
99.04504	3.6
105.07039	57.9
105.07741	3.3
107.08602	73.8
109.06486	7.7
109.10162	61.7
111.08122	4.2
111.11702	14.6
113.09657	4.4
117.07024	11.2
119.08589	52.8
121.10155	54.0
123.08047	4.5
123.11721	33.1
125.13294	5.4
129.07036	3.4
130.07811	4.3
131.08575	34.4
133.10149	44.2
135.08067	4.1
135.11708	33.5
137.09602	4.3
137.13271	12.6
139.07533	6.2
143.08601	9.4
145.10147	34.3
147.08037	3.2
147.11690	38.9
149.09610	5.6
149.13272	33.2
151.07568	2.5
151.11215	3.7
151.14824	5.4
155.07068	12.6
157.10138	13.8
159.11700	30.1
161.09644	3.0
161.13251	27.9
163.11172	3.3
163.14832	16.4
165.09082	11.6
165.16299	2.6
169.08723	2.8
171.11629	10.8
173.09621	3.0
173.13232	16.8
175.11232	3.5
175.14764	12.8
177.09120	7.1
177.16385	7.8
179.10698	6.6
181.12346	2.4
185.13266	8.9
187.14809	15.2
189.16360	20.1
191.10680	17.3
191.18016	4.2
193.12245	4.2
193.19579	2.7
195.11790	2.9
195.13680	2.3
199.14809	6.8
201.16396	9.6
201.83220	2.7
203.17975	14.5
205.12283	5.3
207.13702	2.6
207.17419	6.6
209.11685	3.3
213.16466	4.1
215.18015	4.0
217.19423	3.2
219.13788	5.1
219.17409	4.7
227.17827	4.1
231.21082	3.7
233.15392	7.9
233.22629	5.3
243.21127	3.5
245.15353	5.2
247.16829	3.7
247.24350	6.1
257.22702	2.3
259.16855	3.1
261.25833	8.6
263.16336	4.7
269.19177	3.2
273.18549	8.0
273.25836	5.4
287.20114	11.9
305.21152	5.6
327.30521	2.7
341.32059	9.8
343.33606	28.2
367.33511	4.3
385.34790	3.8
409.34802	12.0
427.35770	61.9
445.36832	77.6
446.36697	4.0
451.74875	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
53.39211	4.0
55.05512	56.5
57.07080	76.1
58.91624	4.1
67.05518	26.8
69.07076	92.2
70.95848	7.8
71.08638	49.7
73.04755	4.6
79.05504	17.1
81.07068	70.3
83.01353	7.6
83.04988	11.9
83.08628	66.6
85.10196	27.7
91.05491	15.3
93.07058	35.2
95.08620	54.2
97.06497	5.2
97.10187	46.5
105.07049	12.5
107.08603	35.9
109.06521	32.9
109.10155	29.9
111.08079	12.1
111.11745	31.8
114.59389	4.3
119.08624	9.3
119.09399	4.6
121.06513	11.6
121.10144	18.9
123.08083	15.8
123.11739	15.3
124.05163	5.7
125.13279	8.0
133.10104	5.4
135.08047	12.3
135.11729	17.2
137.06007	52.7
137.09615	11.3
137.13232	6.0
139.07544	100.0
145.10100	9.1
147.11694	9.1
149.05908	3.9
149.09666	18.0
149.13260	13.4
151.07527	35.9
157.10207	5.2
161.09636	10.4
162.01903	4.4
163.07553	8.8
163.11211	10.6
163.14857	12.8
165.05516	13.7
165.09138	43.0
167.07056	10.8
171.11713	7.2
174.10603	4.1
175.11172	15.8
175.51047	4.1
177.09093	11.4
177.16455	5.3
179.10681	6.2
181.08630	6.5
185.13254	6.2
187.11183	6.7
188.11984	4.8
189.12770	16.8
191.10692	7.5
193.08623	19.2
193.12254	10.6
202.09958	9.3
203.10695	13.4
203.14453	6.3
205.12206	8.8
207.13832	7.2
217.12302	6.6
221.11708	6.4
221.15417	4.5
231.13785	9.9
233.22536	4.5
277.21597	7.2
283.60159	4.3
289.28922	15.5
291.22949	5.4
307.29987	21.6
319.30234	4.6
345.20746	4.2
347.29514	6.6
385.34659	10.8
399.36224	16.8
403.35730	12.7
417.37326	34.6
427.35632	21.8
445.36841	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49703	1.6
53.03933	4.5
55.01876	10.4
55.05515	41.5
57.06819	3.4
57.07080	44.9
67.05505	25.2
69.03432	2.3
69.07071	88.9
69.23647	16.4
71.04986	2.2
71.08636	34.9
72.99292	1.6
79.05495	14.2
79.27419	1.6
81.07060	66.1
83.04956	5.4
83.08626	52.1
85.10187	11.1
86.43234	1.8
91.05457	11.8
93.07046	37.4
95.08608	52.0
96.54650	1.6
97.06530	7.0
97.10177	34.1
105.07040	5.3
107.08605	30.9
109.06516	6.7
109.10162	28.7
111.08097	15.3
111.11725	20.7
119.08632	8.8
121.06512	8.7
121.10147	22.0
123.08088	9.9
123.11740	13.3
124.05209	5.1
125.06049	1.8
125.09613	4.8
125.13271	7.9
131.08516	1.9
133.10147	3.3
135.08049	5.8
135.11684	19.2
137.05997	16.0
137.09607	3.9
137.13213	5.8
139.07552	100.0
139.11108	3.1
139.14822	1.9
143.08601	1.9
147.08075	2.5
147.11665	5.3
147.54475	1.9
149.09621	5.8
149.13278	17.7
151.07570	13.0
151.14804	2.0
153.09114	2.0
157.10162	3.0
159.11742	3.5
161.09618	4.0
161.13290	5.5
163.14813	12.3
165.05487	17.2
165.09123	27.1
167.07031	2.2
171.11653	2.4
173.09554	1.9
175.11203	6.4
177.09157	5.9
177.16397	6.1
179.10703	3.1
181.08615	5.1
189.09093	2.6
189.12744	3.0
191.17915	2.7
193.08643	14.0
202.09770	2.0
203.10727	9.1
203.14330	1.7
205.12202	3.8
217.12294	4.0
219.13777	2.1
221.11786	6.4
231.13814	5.4
235.13347	2.6
289.28897	16.6
307.29956	20.2
359.02808	3.3
363.84750	2.0
366.78128	2.0
399.36252	4.0
403.35333	2.4
417.37122	5.8
427.35852	6.8
445.36832	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.4
55.01870	10.1
55.05500	2.7
57.03437	7.1
60.04512	2.6
61.02928	7.0
63.99993	1.4
67.05490	3.7
68.99788	4.5
69.03067	2.3
69.03427	37.6
69.07076	1.6
70.06590	3.6
71.04986	7.7
71.60170	1.7
71.60558	1.7
72.08150	1.7
73.02909	11.0
79.05479	3.4
80.05035	2.2
81.03424	31.0
81.07048	4.4
83.04947	3.2
84.04500	3.0
85.02907	100.0
86.09718	2.9
87.00827	40.8
91.03953	3.5
91.05437	10.9
93.07024	11.4
95.04964	3.6
95.08598	3.4
97.02895	45.7
98.06073	1.7
98.97598	2.3
99.04460	17.0
103.03940	3.1
103.05457	8.7
105.01871	31.1
105.07061	3.7
107.04935	2.1
107.08595	2.1
108.04506	12.5
109.02876	35.8
109.10136	2.4
111.04420	2.2
115.03909	2.8
115.05441	3.2
116.98589	1.5
117.01843	6.6
117.07005	1.6
118.08641	1.9
119.08559	1.7
120.08035	1.8
120.08896	1.5
121.02860	1.6
121.04064	1.5
121.06518	12.6
121.10149	1.8
126.05513	6.5
127.03919	61.5
129.01814	3.5
145.04959	33.1
145.06232	2.9
145.06450	2.5
145.88150	1.6
147.02919	4.3
147.08017	2.2
149.05974	26.2
151.07582	1.7
159.02890	23.3
163.07491	2.3
166.06267	2.6
167.07063	11.8
173.05984	5.0
181.08594	74.5
187.07416	1.8
189.03935	3.5
191.07045	5.9
193.08612	11.0
205.08603	6.3
207.10190	5.1
211.07539	2.5
213.03908	2.4
223.09698	4.7
228.12968	2.5
229.08777	2.0
230.06560	4.0
231.04941	9.5
233.08205	2.6
235.09650	2.9
239.07021	2.4
248.07571	6.3
249.14949	1.7
257.08224	1.7
261.11328	2.6
266.08777	1.8
271.09714	4.7
289.10742	5.9
307.11795	2.2
393.11700	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.4
57.07076	5.4
66.56316	2.1
67.05506	6.8
69.03443	2.0
69.07067	7.1
69.67243	10.2
71.08643	2.6
79.05490	5.8
81.07069	19.9
83.08640	8.5
85.06546	23.7
91.05486	6.7
93.07056	10.2
95.08618	24.6
97.10157	2.2
98.20853	3.4
105.07044	11.6
107.08606	24.5
109.10168	22.8
119.08591	14.8
121.10142	24.4
123.11707	11.4
131.08600	5.8
133.10121	12.0
134.98247	4.8
135.11726	9.3
137.13281	8.3
143.08559	2.5
145.10123	20.3
147.11665	12.1
149.09662	3.4
149.13293	8.6
151.11209	2.9
151.14806	4.7
153.09196	4.0
157.10153	4.3
159.11687	15.3
161.13205	12.8
163.14838	8.2
171.11722	3.8
172.09973	2.1
173.13284	11.2
175.14795	8.5
177.16452	6.6
185.13309	4.8
187.14861	13.9
189.16389	6.8
191.14258	5.2
191.17975	3.0
193.15878	8.1
199.14853	2.7
201.16389	18.8
203.14322	10.8
203.17888	3.5
205.15862	13.6
213.16350	3.1
215.17992	4.8
219.17484	5.5
231.17519	3.0
235.33047	2.2
255.21158	2.5
313.27579	2.9
337.25378	2.6
351.30615	4.2
369.31525	24.7
375.30347	3.4
383.33234	4.3
393.31482	28.2
411.32617	100.0
429.33704	62.6
430.34238	3.5
446.36230	3.4
447.24881	21.4
447.34756	6.6
456.57999	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	447.1477
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
50.48177	0.4
55.05504	0.7
56.96558	0.8
58.90417	0.3
67.05489	0.6
69.03422	1.1
70.02760	0.8
70.03139	1.2
70.06595	0.6
72.08145	0.6
73.02903	0.6
73.04743	0.6
81.25436	0.4
83.04975	1.3
85.02911	0.9
86.09696	0.8
89.03885	0.5
91.05781	1.5
94.67721	0.3
95.04974	1.1
97.02882	0.5
98.97571	0.8
99.00854	0.4
103.16471	0.3
111.04469	1.9
116.98622	0.3
121.02876	1.6
128.98595	0.4
129.05528	0.4
135.04462	0.6
135.73482	0.4
139.03932	0.8
141.55449	0.4
145.02841	0.5
147.04359	0.6
149.02391	0.6
153.05243	0.9
157.05026	0.5
162.23615	0.4
163.03923	2.4
167.05537	0.6
168.08623	0.4
173.67349	0.4
185.04277	0.7
237.02800	0.4
275.07364	1.3
278.45670	0.4
315.10471	6.4
317.08463	4.8
335.09543	7.1
361.03021	0.5
447.14771	100.0
448.15143	1.6
472.48117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50906	8.3
52.55423	7.1
53.03961	10.9
55.01860	11.4
55.05513	23.4
56.96563	23.5
57.03429	20.4
57.07075	10.3
67.05511	86.1
69.07066	27.5
69.63399	20.5
69.63815	37.3
71.04996	23.7
78.82815	7.7
79.05489	67.0
81.03417	22.3
81.07063	100.0
83.08607	27.8
91.05458	43.6
93.07051	76.4
95.04979	22.1
95.08615	62.8
97.02886	16.0
98.20753	18.2
105.07032	31.2
107.08603	51.0
109.10171	28.5
111.49673	9.5
113.00024	50.4
114.12547	9.8
117.07041	14.4
119.08593	34.0
121.10163	34.1
126.39441	9.0
131.08588	16.8
133.10143	31.0
135.08102	9.3
135.11700	36.6
145.10133	27.2
147.11685	23.5
149.02342	9.9
149.13322	13.3
159.11688	27.9
161.09604	9.8
161.13324	16.9
163.14775	12.8
169.02594	19.2
173.13284	13.6
205.07233	9.2
215.18246	8.9
235.13055	12.9
243.21089	11.3
261.22079	17.6
280.25375	8.0
307.16086	10.7
335.25797	63.5
349.17001	15.0
367.17807	28.5
390.24496	8.1
401.26987	8.5
411.29089	11.4
431.59915	9.3
447.27921	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64135	1.9
53.03961	3.1
55.05514	13.5
57.03436	19.2
57.07088	2.8
65.03951	3.2
67.05506	43.9
69.07064	11.6
70.73281	2.2
70.98480	3.6
70.98825	4.2
71.08600	2.2
79.05496	30.0
81.07061	46.8
83.05003	4.4
83.08642	6.2
91.05510	11.4
93.07048	28.3
95.04957	2.5
95.08617	35.0
97.06514	3.7
97.10182	4.9
98.98480	9.0
105.07016	11.9
107.08597	17.6
109.10184	16.0
113.00020	100.0
117.07031	4.2
119.08604	10.4
121.10134	16.6
123.11723	7.8
129.18259	2.2
131.08589	7.4
133.10133	7.9
135.11700	10.1
137.00002	6.8
145.10138	6.9
146.89638	2.6
147.11707	6.8
149.13269	6.8
155.01074	8.8
159.11725	6.2
161.13278	4.0
163.14789	4.0
169.02606	21.6
173.13252	3.8
177.16385	2.9
184.84167	2.3
187.03639	14.4
187.14909	2.6
200.75354	2.4
240.42464	2.5
243.21115	7.5
261.22232	15.1
299.23798	2.2
311.25760	6.7
317.24774	5.7
335.25818	94.1
369.18561	2.2
447.25162	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	447.3834
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05515	51.3
55.90041	3.1
56.40721	2.6
57.07078	71.0
67.05499	7.4
69.07068	100.0
71.08633	51.8
71.51972	3.9
79.05453	3.6
81.07050	10.5
83.08628	60.6
85.10184	27.4
91.05478	4.2
93.07034	6.6
95.08604	10.0
96.55034	2.5
97.10172	52.3
107.08591	10.5
109.10157	8.6
111.11729	40.8
119.08566	4.3
121.06503	5.9
121.10168	2.9
124.05242	3.0
125.13280	15.3
135.08057	14.7
137.09631	12.3
138.06799	2.8
139.07553	31.7
149.02344	28.4
149.09625	10.7
151.07541	15.7
153.09142	16.5
163.07526	3.9
163.11095	3.2
165.09111	82.4
166.06256	5.3
167.06966	4.2
169.08595	7.9
173.09656	3.7
175.77298	2.9
177.09090	9.3
181.08614	33.7
182.15166	2.5
191.10674	9.4
205.12303	7.2
237.40804	2.7
262.93350	2.8
314.38852	3.2
426.32022	3.1
429.37390	13.7
430.38000	5.2
447.38391	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
55.05521	0.6
57.03427	2.8
57.37368	0.6
61.02934	0.6
65.03918	0.7
67.17825	0.7
69.03431	1.6
70.06593	1.3
70.65295	1.4
71.04998	18.3
72.08173	0.6
73.02939	0.7
73.56793	0.6
75.04468	1.3
77.03918	0.7
79.05483	0.6
81.03419	1.1
83.04981	2.4
85.02913	30.8
86.09693	0.9
87.04481	0.7
91.05490	17.4
92.01440	0.6
97.02888	1.8
98.97589	0.7
109.02871	1.0
111.04435	1.5
119.04955	24.0
121.02918	0.6
127.03903	1.6
129.05482	9.7
132.02036	1.2
145.04953	1.8
147.04419	21.8
147.06471	6.4
149.02377	1.0
157.03990	2.3
163.05968	0.8
164.04588	0.9
164.09204	1.2
165.01878	1.0
175.03925	42.7
179.07060	1.3
192.04135	1.1
207.06543	100.0
208.06754	1.4
269.10217	0.9
287.05447	1.4
299.05450	5.0
325.07275	0.9
329.06604	3.7
353.06552	1.5
362.07236	0.7
369.11703	1.5
383.07727	1.3
413.08932	1.1
431.09570	1.0
448.18988	0.9
449.11032	1.2
455.81131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
56.05014	1.8
60.05626	1.0
64.26198	0.4
65.03926	0.6
66.92725	0.4
67.05493	0.7
69.03416	1.9
69.07058	0.7
70.06567	1.9
70.90103	0.9
71.04973	0.8
72.08145	0.7
73.02908	0.5
79.05470	1.4
81.03400	1.4
81.07040	1.1
83.04992	2.6
83.06114	2.6
84.04507	0.8
84.05296	0.7
84.08131	1.3
85.02917	2.4
86.09702	0.8
88.07617	0.5
89.03883	0.8
91.05460	1.6
92.04979	0.6
93.03391	0.9
93.07082	0.7
94.03716	0.7
95.04955	1.6
96.04445	0.7
97.02889	1.4
97.07616	0.7
98.07160	0.6
98.97568	1.6
99.04424	0.5
102.30850	0.5
103.04049	0.5
104.04981	0.7
105.03404	3.6
105.05767	0.9
105.06993	0.6
106.06563	3.4
107.04955	1.0
109.02887	0.7
110.97528	0.6
111.04446	3.1
111.05576	6.4
112.28223	0.5
112.94841	0.5
113.07111	1.6
116.98569	0.7
118.06550	0.9
119.08569	0.6
119.82317	0.5
120.04477	16.4
120.08103	0.8
121.02866	1.4
123.05542	1.7
124.07555	1.8
126.06650	10.1
127.03918	0.6
127.07444	0.9
129.05516	0.9
132.04465	24.1
132.08162	0.5
134.06026	10.1
135.04399	1.3
137.04720	3.7
137.05640	0.6
139.03889	1.1
139.99783	0.5
140.08173	1.2
142.08566	0.7
145.03966	1.1
145.05022	0.6
146.02362	0.8
146.06032	0.9
147.04402	0.7
148.34367	0.5
149.07072	0.5
151.04987	0.8
151.06155	10.6
151.72821	0.5
154.08687	0.9
157.04916	1.1
157.07553	0.9
159.05493	0.7
162.06657	0.8
163.03917	3.2
164.07149	0.6
165.09096	1.2
168.08809	2.8
202.09756	14.6
214.09804	0.6
216.11333	5.1
217.58618	0.6
219.01735	0.5
223.04727	0.5
230.09268	9.1
231.12376	1.3
232.10840	5.2
242.09335	4.0
255.08759	0.6
257.10410	4.8
259.11926	85.7
260.12317	2.3
277.12946	3.0
284.11389	6.3
286.05115	0.7
299.05505	2.1
300.06107	0.6
301.14050	8.8
302.12488	34.3
303.12665	0.6
319.15079	3.2
329.06622	2.2
362.18188	0.8
363.16626	1.3
406.17267	14.3
413.08972	0.7
430.18558	1.2
431.10135	0.8
431.16595	1.2
448.19415	100.0
449.14325	1.4
449.19696	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	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03630	1.4
53.03937	2.1
55.05501	2.1
57.03437	8.5
58.60780	1.4
61.02903	1.9
69.03423	5.3
69.86561	7.5
70.06590	3.5
71.04999	73.0
72.38995	1.5
73.02920	2.9
75.04482	4.4
83.04982	10.5
85.02909	99.1
85.71201	1.5
87.04465	2.4
91.05483	20.1
97.02904	4.9
98.97608	1.8
99.04507	2.6
99.62909	1.7
103.05515	2.0
105.07056	2.9
107.08553	1.5
109.02882	2.1
111.04437	6.0
119.04943	28.0
127.03925	5.1
129.05492	42.9
137.02362	1.7
145.04951	6.2
147.04424	23.3
147.06517	24.1
163.05972	2.2
164.07150	1.4
164.09203	5.1
165.01793	2.0
175.03915	42.7
179.07048	2.6
180.38260	1.8
207.06540	100.0
208.06779	1.5
225.07693	1.5
287.05542	1.6
299.05515	13.2
311.05585	2.9
325.07114	2.1
329.06604	10.6
339.08609	1.6
353.06799	2.3
383.08044	2.1
413.00037	1.6
413.08649	3.0
431.09976	3.7
448.18848	4.2
448.25436	1.8
449.10892	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	448.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.9
56.96569	43.6
57.03439	10.1
57.73636	6.0
61.02919	25.6
64.84930	5.2
65.03915	6.2
66.47791	4.7
67.05511	35.7
69.03423	15.1
69.07087	28.5
71.60210	10.2
73.02925	11.5
79.05504	33.0
81.03411	11.0
81.07072	50.8
83.04987	6.3
83.08630	9.6
85.02888	16.2
91.03968	8.4
91.05494	15.8
93.07048	25.6
95.04991	8.0
95.08607	20.4
97.02905	13.0
97.06571	10.8
98.97623	13.1
101.02431	7.6
105.07043	18.1
107.08607	21.8
109.10167	18.7
117.07046	10.5
119.08588	16.0
120.08922	7.3
121.10152	13.5
128.98642	8.1
131.00154	5.4
131.08569	17.7
133.10141	10.1
145.10193	8.7
147.11673	10.3
149.09535	5.9
159.11707	6.1
171.03242	6.2
195.13795	8.3
199.06448	7.1
205.07414	6.4
217.07480	9.7
229.07529	26.5
229.14305	7.7
231.09100	11.2
243.09109	6.0
247.08565	8.1
255.09085	19.6
267.09064	11.5
269.10611	39.8
269.17499	9.3
270.17682	5.3
273.10098	13.1
275.20062	7.1
281.10599	5.9
285.10233	20.1
287.05511	7.6
287.11615	14.1
292.12000	7.4
299.05508	46.1
300.06262	10.4
329.06638	23.8
331.15829	30.0
339.08582	7.4
349.16916	51.6
353.06390	10.0
367.17978	100.0
368.18353	11.9
383.07755	11.2
390.19699	7.2
413.08990	7.7
426.33124	6.6
431.09592	7.3
448.27744	8.6
449.11084	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89724	0.5
55.05515	1.6
56.96566	1.8
57.07076	6.3
58.06596	2.7
67.05492	1.8
69.07069	1.5
70.06236	1.3
70.06595	16.1
71.08627	2.6
71.59766	1.3
79.05493	2.0
81.07048	2.3
83.08602	0.7
88.07635	19.6
91.05487	2.1
93.07045	1.0
95.04974	0.8
95.08613	1.0
96.72955	0.8
102.08536	1.1
102.09187	14.7
104.02629	1.8
105.07052	1.1
107.08613	1.1
109.10166	0.9
119.04954	2.3
119.08615	0.7
132.02075	7.4
135.11714	0.7
136.01561	6.5
143.47133	0.7
147.04417	25.3
148.05171	1.2
149.02362	0.9
158.71454	0.6
175.03909	44.0
176.04729	1.6
180.04193	9.3
191.07085	2.2
193.04974	1.0
219.06532	82.6
220.06889	1.2
235.78726	0.7
256.26367	50.1
257.26825	1.2
287.05188	0.7
299.05585	1.9
329.06506	1.3
339.08517	0.9
353.06339	0.9
365.16003	0.8
399.43359	0.7
448.30627	100.0
449.10666	1.1
449.30887	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24567	1.2
55.05511	5.5
57.07079	5.6
67.05502	3.9
69.06741	1.5
69.07073	9.6
69.84091	1.1
70.07385	1.9
70.78254	3.2
71.08640	6.0
83.08611	6.7
84.08924	1.3
85.10179	2.5
91.05485	1.8
93.07035	2.0
93.12571	1.1
97.10163	6.3
99.15137	1.1
109.10150	4.8
111.11709	3.9
112.12019	1.5
119.08573	2.9
121.06525	11.6
122.07301	2.1
125.13326	1.9
135.08112	1.7
136.08849	14.0
137.09633	12.6
139.07584	1.7
149.02353	2.2
149.05804	1.3
149.09599	2.8
153.09030	1.4
154.09390	1.2
154.78078	1.1
161.19640	1.3
164.08342	35.6
165.09131	100.0
166.09499	5.4
177.09079	2.0
178.09621	1.1
181.08627	2.5
182.09003	1.5
190.09837	1.3
205.12288	5.8
206.12402	1.2
264.21887	1.3
430.38095	64.6
431.38345	2.1
448.38708	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	449.1079
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
64.71297	1.1
69.03429	1.0
70.06589	2.0
72.08147	1.3
76.71231	0.9
79.01855	4.1
81.03418	4.1
84.08125	1.4
85.02900	4.4
86.09731	1.2
89.03931	1.2
90.77917	1.0
91.05468	2.3
93.07064	1.6
95.04964	1.8
95.08596	1.4
97.02895	1.0
98.97606	1.3
109.02877	2.5
110.93577	0.8
121.02876	3.3
130.05025	1.7
131.54990	1.1
131.55930	0.9
135.04405	4.7
137.02350	16.7
137.03407	1.9
137.05943	1.3
141.01842	1.0
142.30515	0.9
147.04498	1.2
147.07674	2.7
153.01823	1.3
161.02351	3.6
163.03905	3.3
163.11343	1.3
165.01828	10.1
167.03375	1.2
177.01791	1.2
177.05475	2.1
179.03432	2.3
183.02934	2.3
187.03818	1.1
187.08867	1.1
189.01836	1.1
195.02887	1.4
203.03331	1.5
215.03362	1.2
217.05016	4.2
219.02948	1.0
227.07022	1.5
229.05014	3.4
243.02950	2.2
243.06458	1.1
244.07335	1.0
255.06500	1.2
259.06088	3.3
261.03976	2.1
271.06082	5.7
272.06760	9.6
272.14676	1.0
275.05515	1.2
283.05975	2.0
286.04791	1.8
287.05481	16.7
287.13889	1.8
295.05936	1.8
297.07581	3.3
299.05496	92.0
300.06265	32.8
301.07111	2.4
309.07559	1.2
311.05551	20.4
311.09241	1.2
313.07028	16.7
321.07440	1.1
323.05298	2.1
324.06244	3.6
325.06970	10.0
327.05011	2.3
329.06549	100.0
330.07040	1.8
337.06891	1.5
339.05014	2.3
339.08609	22.4
341.06448	4.7
349.07178	1.6
353.02200	1.5
353.06552	30.9
359.07919	4.3
365.06702	3.9
367.08151	5.9
371.07483	1.6
377.06604	3.3
383.07584	19.6
395.07623	14.0
413.08646	33.9
431.09735	42.8
432.10153	1.2
449.10785	61.7
450.10574	1.9
450.16660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Homoorientin
Peak:m/z	Relative Intensity
55.01870	1.0
56.44522	0.9
68.99813	1.3
69.82039	4.4
69.82455	1.9
79.14233	1.1
81.03421	2.6
85.02917	2.2
87.36232	1.1
92.10499	1.1
93.78030	1.0
109.02902	1.6
121.02882	2.6
135.04402	5.1
137.02361	9.8
141.01848	1.4
147.04543	1.2
149.02342	3.3
161.02376	3.5
163.03905	3.7
165.01836	25.0
167.03419	3.5
175.03835	1.4
177.01881	2.6
179.03419	1.9
181.04977	1.5
183.02913	4.6
187.03934	1.9
189.01831	1.5
191.03406	1.5
195.02939	1.4
205.04967	2.0
243.02827	1.3
255.06334	1.7
271.05948	1.7
283.06036	10.0
286.04788	3.1
287.05444	5.9
295.05969	2.1
297.07520	6.2
299.05515	100.0
300.06165	11.7
309.07602	1.3
311.05634	10.8
311.08960	2.5
313.07156	2.4
321.07608	3.8
323.05527	1.8
324.06125	2.5
325.03604	2.3
325.07065	24.1
327.05176	1.4
329.06567	70.8
337.07114	2.7
339.08670	14.4
349.07135	4.9
353.06564	36.1
365.06619	12.2
367.08252	2.9
377.06573	8.9
383.07614	20.3
395.07632	19.8
413.08707	18.3
431.09732	9.5
449.10727	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	449.1077
Annotation	Homoorientin
Peak:m/z	Relative Intensity
69.73144	4.8
71.01352	1.1
71.50821	1.1
72.64333	0.9
79.01851	3.7
81.03398	2.6
85.02907	2.2
113.68383	1.1
116.47441	1.2
135.04420	3.5
136.05234	2.1
137.02336	18.2
147.04369	1.3
149.02341	1.7
153.01791	1.7
161.02332	3.9
163.03842	1.8
165.01834	11.0
167.03407	1.5
177.01932	1.8
179.03432	1.9
183.02878	2.7
187.03883	1.9
191.03435	1.8
195.02878	1.7
203.03323	1.7
213.05499	1.8
217.05000	4.1
227.07039	1.6
229.04926	4.5
243.02966	2.6
243.06458	1.0
249.15384	1.1
255.85652	1.2
258.05270	1.1
259.06018	3.6
261.03973	2.5
271.06021	6.2
272.06775	10.9
277.67862	1.1
279.52881	1.1
283.05948	2.4
287.05502	6.2
295.05902	2.3
297.07541	2.5
299.05511	86.6
300.06256	39.4
300.09747	1.3
301.06967	2.8
311.05545	20.3
311.09036	0.8
313.07065	20.8
314.04141	1.4
321.07660	2.4
323.05771	2.5
324.06323	3.6
325.07065	9.4
327.04971	2.5
329.06561	100.0
330.07007	1.9
337.07361	1.6
339.04977	2.5
339.08661	19.4
341.06659	4.5
343.08215	1.9
349.07123	1.2
353.06580	26.1
354.06973	1.3
359.07629	7.8
365.06625	4.0
367.08148	7.0
371.07883	1.2
377.06317	1.8
383.07660	15.9
395.07635	12.1
413.08655	31.1
431.09747	44.6
449.10815	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02710	0.6
58.06580	1.8
59.07371	1.0
60.04510	2.2
69.03427	0.8
71.55775	0.6
71.58575	0.7
74.09702	2.5
79.27003	0.5
84.04494	0.9
85.02895	2.2
86.09711	1.1
91.05414	0.6
94.93015	0.7
97.02874	0.7
98.97561	0.8
106.05034	3.4
118.07860	1.1
118.08669	16.4
119.01919	1.4
121.92527	0.7
126.05544	1.9
127.03945	1.1
131.01921	1.3
133.06050	0.6
135.04428	0.7
135.05527	0.7
136.94144	0.8
145.02802	1.0
156.04218	3.3
158.06631	2.3
161.02928	0.8
163.03864	2.9
176.07689	8.5
177.07854	0.8
182.66833	0.6
200.07730	0.7
204.03876	0.8
226.09245	2.6
245.05101	1.6
245.09914	0.9
246.14494	1.1
256.96033	0.9
268.94562	1.3
270.08136	1.1
274.10046	5.0
275.14520	8.2
314.07208	0.8
321.14554	0.6
345.15063	1.0
430.97873	2.4
431.14606	1.1
431.19455	1.2
449.02567	4.1
449.14227	100.0
450.14548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46128	0.6
55.05513	1.5
65.03955	0.9
67.05520	2.3
69.03433	1.7
69.07066	1.6
79.05514	2.1
81.03440	1.2
81.07066	3.5
85.02931	1.9
88.69981	0.7
91.05508	2.6
93.07070	1.7
95.04986	1.3
95.08636	3.3
97.02933	1.0
97.06501	0.6
98.21494	1.6
98.97584	1.0
103.05477	0.9
105.07074	2.7
107.04971	1.3
107.08625	1.8
109.06555	0.9
109.10173	1.6
111.04471	1.0
112.12651	0.7
119.08633	1.8
121.06510	0.9
121.10191	1.4
123.11736	1.0
127.03937	1.1
129.07065	1.0
131.08582	1.3
133.10138	2.1
135.11723	1.0
137.02370	2.0
137.05980	1.4
141.01695	1.2
141.07002	0.7
145.10184	1.5
147.11658	0.7
149.02350	0.8
151.07585	1.0
153.01939	0.6
157.10222	0.9
159.08206	0.9
159.11815	0.8
160.07573	1.2
161.09615	0.6
165.01906	2.5
167.03346	0.9
171.11792	1.2
183.02913	2.0
186.06528	3.6
196.16736	0.7
242.05890	0.8
270.05283	1.2
283.06116	2.0
285.05933	2.6
286.04877	0.8
287.05548	4.5
297.07687	1.3
299.05511	20.7
300.06180	3.8
311.05728	2.3
313.07178	2.4
315.04980	4.2
325.07007	3.8
329.06549	15.1
339.08636	3.4
353.06586	6.8
365.06644	1.1
377.06784	1.1
383.07550	4.3
395.07697	3.4
408.70786	0.7
413.08630	4.0
431.09668	4.6
449.14297	100.0
450.14352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94795	1.8
55.01862	3.0
55.05509	12.0
57.07077	24.2
61.00145	2.2
64.53545	2.0
67.05497	11.3
69.07074	26.2
70.89073	4.2
70.89472	5.2
71.08629	20.5
79.05475	7.9
79.47380	1.9
81.07067	20.9
83.04977	4.9
83.08618	17.7
85.10177	10.1
91.05479	7.2
93.07035	14.4
95.04972	12.0
95.08607	22.6
97.06508	4.2
97.10159	15.9
99.04432	6.5
105.07040	7.7
106.00396	2.0
107.08576	5.9
109.06539	10.5
109.10139	7.0
111.04447	100.0
111.08067	3.3
111.11681	6.3
113.05971	6.7
119.04942	2.4
119.08569	8.6
119.12083	1.9
121.06477	9.3
121.10131	3.8
123.04431	25.1
123.08064	6.1
123.11642	3.5
125.06016	13.9
125.13245	4.2
131.08578	2.4
131.14084	2.1
133.10088	6.3
135.04396	6.7
135.08015	4.0
135.11700	2.5
137.05986	22.5
139.07515	8.3
145.06479	2.7
145.10120	4.3
147.08034	2.1
147.11673	4.4
149.05978	4.4
149.09645	3.5
151.07524	4.2
153.05476	21.0
155.07018	5.6
159.11708	4.0
161.09663	2.6
162.10071	2.1
163.07506	6.1
163.11212	2.3
165.05481	66.2
165.09099	2.0
167.07022	3.4
171.06502	7.4
171.11597	2.4
177.09012	3.0
177.12730	2.7
183.06540	75.7
189.12715	6.9
191.10631	2.9
203.10674	2.3
219.17328	2.9
231.25093	3.7
299.05444	3.4
301.28925	3.1
319.29880	4.7
329.06598	2.0
385.34619	20.4
389.34048	3.1
396.55731	2.6
403.30801	3.4
403.35733	44.6
404.36145	2.5
413.34128	9.2
431.29785	3.0
431.35196	34.9
449.36197	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01869	0.9
55.98132	0.3
56.96546	1.0
57.03417	0.7
61.02914	0.7
68.99789	0.3
69.03439	2.5
69.75282	1.6
70.06599	1.1
72.08145	0.6
73.02920	1.6
78.04699	1.5
79.05476	0.9
81.03426	4.0
81.07047	0.8
83.04964	0.4
84.04482	0.4
84.08154	0.6
85.02910	6.6
87.00825	2.1
91.05464	0.5
95.04969	0.4
97.02898	3.7
98.06029	0.4
98.97580	1.5
99.04458	1.2
101.19331	0.4
105.01843	1.5
105.03417	0.5
106.04180	0.8
107.04961	0.8
108.04466	1.6
109.02882	2.7
110.07130	0.5
111.04414	0.5
111.05560	0.5
115.03950	0.5
116.98595	0.8
119.04902	0.4
120.04472	0.9
121.02906	1.7
121.04832	0.3
123.04434	4.2
124.05217	1.4
124.07616	0.6
126.05550	1.1
126.06665	0.9
127.03916	3.6
132.04446	1.2
133.04816	0.6
134.06093	0.3
135.04390	0.5
137.04926	0.3
137.05965	0.8
139.03879	0.8
145.02846	0.9
145.04970	1.7
147.04433	0.4
151.03867	1.2
151.06081	0.7
152.04642	0.9
152.07161	0.7
159.02939	1.7
163.03912	2.6
167.07043	100.0
168.07416	1.0
203.10117	0.5
219.01787	0.3
230.06622	0.5
230.09174	0.4
231.05025	0.6
232.09798	0.4
237.02827	0.8
248.07550	0.5
259.12027	2.0
260.12271	2.1
261.12457	2.8
284.11301	0.4
288.05850	0.7
300.05811	0.7
302.12473	0.9
304.12888	1.1
330.06970	0.9
408.17819	0.9
432.10098	0.4
450.14359	0.9
450.19946	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	450.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
54.03492	2.8
55.01875	3.2
55.98326	2.6
56.96550	3.2
57.03442	50.4
58.59089	3.1
61.02924	17.5
69.03432	50.6
69.94510	11.1
69.94867	4.5
70.06588	10.6
71.01359	6.2
72.08158	4.5
73.02921	100.0
81.03424	7.9
82.06587	4.1
84.04499	4.0
84.08130	5.5
85.02909	81.4
87.04482	4.1
91.03971	2.8
91.05478	22.0
93.07027	5.9
97.02898	89.8
98.21588	3.4
98.97606	3.8
99.04479	3.0
105.07027	3.3
107.04946	3.1
109.02849	6.4
111.04438	4.0
115.03934	76.3
117.03404	5.5
118.08693	3.8
121.02885	35.1
121.06508	20.7
124.07593	34.7
127.03925	26.1
128.07097	6.6
133.02795	3.7
133.04964	17.2
133.06474	3.5
135.04440	3.4
137.05981	12.5
138.09178	3.1
139.03909	64.4
145.02902	7.6
145.04977	33.2
145.06456	4.9
146.06067	3.4
147.04419	4.1
149.05963	6.2
156.10260	4.7
161.06012	3.6
163.03911	21.6
163.06052	10.7
164.69540	2.7
166.08624	6.6
167.07076	3.6
175.07547	4.6
177.05492	6.4
181.05051	3.6
187.07585	7.3
201.61371	2.7
202.09680	3.4
205.08667	8.7
219.01645	3.7
223.06111	5.6
229.08519	8.1
234.11313	3.5
235.09778	5.0
237.02800	3.0
241.07159	5.6
252.98027	3.9
259.08002	3.0
265.10513	4.6
265.65146	2.7
270.13608	5.1
288.14484	5.1
295.10196	3.7
299.05649	5.1
300.05875	7.9
329.06696	4.5
330.06805	10.3
354.06924	6.6
384.07935	3.7
414.09100	5.1
432.10165	3.8
450.11176	4.1
450.16867	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01863	3.3
56.05037	3.3
56.96584	2.1
57.03436	13.1
60.16923	1.5
60.54096	1.5
61.01149	3.7
61.02938	9.2
61.83569	1.5
69.03436	30.6
70.06597	15.4
71.01358	2.4
71.04986	3.2
71.59347	3.0
72.08152	2.1
73.02924	26.6
74.76819	1.8
79.05495	2.3
81.03416	11.0
81.07076	3.3
84.04548	2.1
84.08126	6.1
85.02910	88.0
87.04467	3.6
89.03911	4.4
91.03957	3.4
91.05484	100.0
92.05809	2.3
93.07024	2.1
97.02903	51.6
98.97578	4.7
99.04458	4.9
103.03951	2.3
104.05311	3.0
105.07059	3.0
107.04954	3.7
109.02897	10.6
110.07182	3.5
111.04460	2.6
115.03945	17.5
116.98666	1.9
117.03373	7.7
117.06969	2.0
118.06603	2.3
118.08624	7.7
120.08102	5.1
121.06516	22.2
122.06058	2.3
122.08671	1.8
124.07571	14.8
127.03925	22.3
128.07100	2.4
129.10251	2.4
133.02831	3.2
133.04951	4.4
136.07535	3.0
137.06001	6.0
138.09088	2.0
140.07057	3.9
143.00124	2.0
143.08551	1.8
144.04701	2.0
145.02859	12.7
145.04977	35.7
145.06442	3.8
146.06113	5.4
147.04471	2.7
147.06424	3.1
148.07581	4.6
149.06015	4.2
149.07938	3.2
151.07585	1.7
161.04483	3.2
163.03918	4.3
163.06020	13.0
164.07048	3.7
165.07513	2.5
166.08583	2.4
167.07059	4.1
174.05707	1.8
175.07542	3.3
176.56348	1.7
177.05496	19.2
184.07399	2.0
187.07549	5.5
201.11116	1.9
205.08603	4.3
217.08578	4.3
229.08618	4.0
233.23608	1.7
235.09808	1.9
237.02776	1.8
247.09793	2.6
270.13345	4.7
271.11536	2.0
287.04953	1.9
287.13925	3.8
288.05936	2.7
288.14261	8.8
300.05902	3.7
303.07465	2.1
306.15408	2.9
330.06989	2.8
354.07040	2.4
406.17603	7.1
434.62866	1.7
450.11084	3.8
450.17059	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	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95855	3.4
53.03943	13.6
55.01870	12.1
55.05503	8.4
56.04248	3.2
56.96555	3.1
57.03426	9.8
61.02929	6.5
65.60242	2.9
66.09575	3.4
67.05484	8.9
68.99780	5.2
69.03438	43.9
69.07095	16.7
70.06573	5.8
71.05005	17.6
73.02930	5.7
79.05488	16.0
81.03436	34.4
81.07056	19.4
83.04977	9.2
84.08171	3.8
85.02412	5.9
85.02911	97.3
85.06561	3.3
87.00838	48.0
87.04472	21.3
91.05465	9.4
93.07058	22.2
95.04996	5.0
95.08607	18.2
97.02901	44.5
97.06538	55.3
98.97556	6.2
99.04458	19.2
105.01877	49.4
105.07030	11.7
107.04939	4.8
107.08602	33.6
109.02882	55.3
109.06457	5.1
109.10148	8.5
113.06003	23.2
114.95041	3.1
115.03967	18.6
119.04894	4.8
119.08585	5.1
121.10133	22.6
123.04472	4.1
123.08060	5.8
123.11693	5.0
125.06030	3.4
125.09641	10.2
127.03933	87.1
129.01836	3.3
131.08525	8.3
133.10143	7.0
135.04411	4.2
135.08095	5.1
136.07603	3.9
137.06015	4.1
137.09625	4.1
139.11176	50.8
145.04976	20.7
145.10153	3.7
146.06055	3.6
147.02808	3.6
147.04367	5.6
147.11670	10.9
147.64651	3.8
149.09627	24.0
153.01819	9.9
159.02921	8.1
161.02327	4.4
163.03922	17.5
165.01897	5.3
167.10684	98.1
173.02377	5.3
177.05409	4.2
185.11725	29.3
187.14868	4.0
188.07059	4.6
197.66640	4.0
213.04008	7.8
215.07095	10.0
217.15787	8.6
231.05020	22.2
235.17055	6.3
249.05991	4.6
253.17964	7.5
259.09601	21.9
275.12784	6.0
287.05463	45.1
288.05856	100.0
298.07883	3.6
299.05505	12.8
300.05844	40.8
312.05844	4.5
326.07422	11.9
329.06546	9.9
330.06985	34.7
340.08920	6.4
354.06940	15.4
366.06693	6.1
368.08899	4.1
384.08023	9.5
396.07858	11.4
407.12787	9.7
414.08975	12.6
432.09857	12.8
450.11221	36.4
450.17014	6.4
451.11542	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	451.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01871	2.4
56.90936	1.9
57.03436	45.7
61.02935	18.6
65.42106	1.9
67.05497	7.1
69.03432	37.8
69.07076	5.1
69.39888	8.9
69.40316	7.9
70.06584	8.1
71.01337	4.3
71.04955	2.5
72.08163	2.6
73.02919	100.0
79.05476	4.7
80.05026	2.1
80.31430	1.8
81.03432	7.1
81.07055	5.0
83.05015	3.4
84.04507	2.7
84.08153	4.1
85.02908	80.2
85.03416	4.0
86.09686	3.8
87.04475	3.0
91.03923	2.7
91.05461	4.4
91.59314	2.2
94.06561	2.3
95.04988	4.0
95.08620	2.3
96.04512	2.2
97.02897	53.8
97.06481	3.5
98.97604	7.4
99.04443	3.7
103.03958	3.2
107.04935	2.9
108.08099	5.6
109.02879	7.7
115.03931	42.3
120.08102	9.7
123.03176	11.8
124.07607	3.2
126.09132	2.7
127.03925	26.8
132.06586	7.0
133.05009	12.1
136.07588	15.8
137.05963	2.4
140.03423	43.2
140.07056	21.9
143.08220	3.2
145.04962	36.7
147.04391	4.0
148.07596	4.4
150.07625	14.2
152.07121	4.2
153.01868	2.3
158.99646	2.8
163.03809	2.7
163.06024	13.7
164.07054	14.1
167.07066	5.1
167.14757	2.3
178.08646	5.8
182.08144	31.5
189.06732	2.5
206.08092	14.3
214.11044	2.3
215.07118	5.7
218.08162	3.2
225.13751	2.6
237.02885	3.3
240.94762	1.9
241.07002	2.7
243.14960	15.7
261.10022	3.4
271.14523	16.8
284.11301	3.7
289.15457	29.6
302.12341	6.4
355.12982	2.4
451.21481	4.9
459.23038	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
53.64289	2.0
55.01851	3.9
55.81161	1.8
56.96555	5.8
57.03433	23.7
61.02928	12.0
62.06414	1.7
63.08580	1.8
65.44603	1.5
67.05507	6.6
69.03432	22.3
69.07059	5.7
70.06590	7.1
71.01319	3.3
71.04992	2.3
71.59768	2.3
72.08155	5.4
73.02921	50.8
79.05486	3.9
81.03410	10.0
81.07025	8.9
83.04986	5.9
84.04502	2.6
84.08140	2.5
85.02909	100.0
86.09705	6.0
87.04493	1.9
91.05489	3.4
94.06570	2.0
95.04968	6.0
96.04527	2.0
97.02896	48.8
97.06528	2.0
97.12226	1.6
97.25108	1.8
97.93353	2.0
98.97587	7.8
99.04417	2.9
103.03932	3.2
105.07044	2.9
107.04960	2.1
107.08592	2.4
108.08079	8.9
109.02893	12.6
110.07220	1.9
112.99162	2.2
115.03938	15.0
119.04969	2.2
120.08111	9.5
122.06020	6.5
123.03152	2.4
123.04437	2.5
124.07549	2.9
125.05987	5.6
126.05513	5.2
126.09180	4.0
127.03041	3.3
127.03910	25.4
130.12300	3.1
131.00116	2.9
132.06699	1.7
133.04988	3.7
135.04303	2.0
136.07582	19.1
140.03427	7.4
140.07072	78.5
143.08261	2.9
145.04956	40.3
147.04439	2.5
150.07640	4.7
150.09167	4.0
152.07062	14.6
153.12712	3.0
154.08612	3.4
159.03307	2.2
163.03951	2.7
163.06020	19.4
164.07066	21.5
167.07063	5.0
177.00639	2.0
177.04341	6.2
178.08643	16.3
182.08139	96.6
187.07660	1.9
189.06651	3.7
197.05893	2.2
206.08130	49.1
215.07072	5.3
218.08104	5.4
219.01773	2.5
225.13995	2.0
235.13321	2.1
236.09207	6.0
243.15005	8.4
248.09157	10.4
259.09644	6.0
261.09921	7.3
266.10300	3.8
271.14401	13.0
284.11319	7.8
285.06628	2.7
289.11780	4.9
289.15482	17.6
289.21335	1.7
301.05969	3.7
302.12354	27.3
303.07526	5.8
327.07611	3.1
331.07178	2.6
353.18811	1.9
451.11356	3.3
451.21579	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	451.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.0
61.93493	7.8
67.05489	11.9
69.03419	8.9
69.07068	28.1
70.75189	18.5
71.04992	12.1
76.57999	8.4
79.05511	19.0
81.03418	9.0
81.07062	23.7
83.08620	8.5
83.79155	6.4
85.02917	9.7
91.05478	17.0
93.07063	18.0
95.08623	24.6
97.02954	7.6
97.06534	80.9
105.07014	16.5
119.08589	17.4
133.10132	11.8
135.11691	7.6
141.05493	8.0
163.03905	48.2
173.02341	21.1
179.14297	10.9
215.07080	28.5
259.09668	100.0
271.18997	56.0
310.54971	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	451.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05510	5.8
55.41530	2.2
56.96560	15.9
57.03437	3.0
60.59684	2.1
62.71262	2.4
67.05502	8.4
69.03418	4.9
69.07063	15.3
70.89892	3.1
70.90214	3.7
71.04979	3.9
78.47850	2.2
79.05487	11.9
81.03409	3.1
81.07066	14.6
83.04991	2.5
84.96046	11.0
85.02921	4.6
87.47884	2.1
89.03932	3.9
89.08561	2.1
89.15850	2.6
91.05486	4.4
93.07030	4.4
95.08623	14.4
97.02883	3.6
97.06532	91.3
98.97581	65.4
105.07082	6.3
109.02875	3.0
110.97552	22.4
111.46432	2.2
112.99145	5.5
116.98614	19.9
117.03372	5.3
119.08578	6.7
121.10128	2.2
122.53370	2.2
124.99075	2.8
127.03945	5.6
128.98608	14.7
129.43552	2.3
131.00200	6.6
133.02861	3.0
133.10172	4.6
134.99629	7.0
135.04437	6.3
135.11726	2.9
135.84822	1.9
137.06024	2.6
140.98643	2.8
143.00163	7.1
145.02870	6.3
146.99590	5.9
149.01260	5.5
156.03716	3.2
158.99704	7.6
159.04431	5.6
161.01213	3.9
161.02361	10.9
161.13274	11.6
163.03905	36.0
170.99606	5.6
173.02356	24.9
177.00674	6.1
179.14320	9.9
185.01225	4.8
189.00664	4.9
196.63396	2.4
201.00758	8.4
203.02234	4.2
206.02614	5.1
213.00793	2.7
215.07034	38.1
219.01778	38.0
224.03625	14.9
230.09892	3.4
236.09911	3.1
237.02811	41.1
243.01718	2.9
245.10387	18.4
245.60684	3.4
253.18130	2.7
259.06918	4.7
259.09665	100.0
260.09854	3.1
261.02771	6.7
261.43002	2.5
263.06021	2.7
265.03912	3.3
271.19052	12.1
281.06927	5.3
302.04556	2.8
317.07230	3.8
350.06784	2.9
365.09091	17.5
383.10080	30.0
406.11816	2.9
407.10217	6.0
425.11108	5.2
451.09921	26.6
452.10739	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
57.07083	0.3
58.99860	1.7
59.58580	0.3
67.05485	1.3
69.03415	1.0
69.07040	0.8
70.34595	0.5
70.34970	0.7
76.76654	0.3
77.00913	6.7
77.18468	0.3
79.05473	0.8
81.03415	0.7
81.07064	2.5
83.04935	0.3
83.08609	0.5
87.00820	0.3
91.05463	0.6
93.07018	1.2
95.01380	0.3
95.01952	4.5
95.08614	2.2
97.02866	0.4
97.06539	0.6
97.80746	0.3
100.02450	0.4
105.07002	1.3
107.08560	0.8
109.02933	0.4
109.06535	0.4
109.10145	1.2
119.08551	1.1
121.10114	0.8
123.11707	0.8
131.01878	0.4
133.10101	0.7
145.10089	0.7
147.11661	0.8
149.09563	0.3
159.11703	0.7
161.13194	0.4
165.11235	0.5
169.10739	0.3
183.12265	1.4
191.12762	0.6
193.14442	0.6
201.09676	0.3
201.16261	0.6
203.17934	1.3
207.12279	0.7
209.13840	0.4
211.15417	1.7
213.09703	0.6
217.10750	1.3
219.12325	5.6
225.13356	3.3
227.11362	0.4
231.17261	0.4
233.10321	0.6
235.11792	2.2
237.13365	69.4
238.13481	1.8
243.14455	15.9
244.14778	0.5
251.11447	0.5
253.12865	1.7
255.14432	100.0
256.14624	3.3
260.14941	3.3
261.15445	2.5
266.15741	0.5
273.15491	9.6
274.15747	0.4
278.15997	6.0
296.17105	0.6
421.28320	0.5
451.29080	26.0
452.29379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01863	3.7
55.05513	36.4
57.07082	41.6
67.05511	17.9
69.07074	63.2
71.08630	29.5
71.60005	5.4
79.05481	11.0
79.45972	3.3
81.07056	28.8
83.04979	5.9
83.08630	39.2
85.10172	12.0
89.06031	7.0
91.05482	14.4
93.07050	26.7
95.04970	13.3
95.08612	30.6
97.06528	11.6
97.10178	28.3
105.07024	8.2
106.78774	2.7
107.08585	11.4
107.28952	3.6
109.06524	9.6
109.10155	11.3
111.08089	8.5
111.11728	17.0
117.46053	3.0
119.04954	11.7
119.08579	7.5
121.06519	65.6
121.10143	11.9
123.04452	7.3
123.08055	17.1
123.11683	4.3
125.06016	6.2
125.13288	5.3
126.35977	3.3
133.08592	6.5
133.10121	8.7
135.08078	4.6
135.11668	6.8
137.05975	43.7
139.07535	19.8
141.05455	7.2
147.11685	5.8
149.13284	6.5
155.07053	67.6
159.11760	4.5
163.20236	3.6
167.07048	50.5
182.75717	2.9
219.13763	3.2
281.12378	3.0
387.36316	5.2
405.37234	22.0
415.35721	4.4
433.36429	13.6
451.31836	6.9
451.37836	100.0
452.38174	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	452.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
54.88127	1.7
55.01863	2.7
56.96328	1.7
56.96564	13.7
57.03442	45.9
60.04531	2.2
61.02922	17.1
61.91919	1.7
69.03431	39.9
70.06584	4.9
71.01344	3.8
71.60278	2.2
71.60732	2.0
72.08130	1.8
73.02919	100.0
81.03418	12.8
81.27125	2.0
82.66336	1.7
83.30289	2.2
84.04540	1.9
84.08147	3.1
84.96042	2.6
85.02911	60.2
87.04452	5.5
89.03906	4.5
89.05820	1.8
91.03915	2.5
96.04473	2.7
97.02897	57.2
98.97581	8.1
99.04436	2.7
104.16772	2.1
109.02881	85.2
110.97505	2.4
112.05115	2.1
113.00598	3.9
114.05544	2.3
115.03933	54.4
116.98617	2.2
117.03387	3.3
119.04920	2.9
120.08044	2.5
124.03953	11.4
127.03921	24.9
130.06465	2.1
132.06593	2.1
132.97154	2.1
133.02818	3.4
133.04985	15.0
135.04411	8.6
137.05956	5.5
138.05498	7.0
141.04361	4.2
141.05472	86.7
142.05016	5.0
143.00128	5.8
144.06560	3.1
145.02876	5.5
145.04965	24.5
147.04387	5.7
150.07591	8.3
153.05461	7.3
155.01677	4.3
155.03371	8.0
161.01254	2.4
163.03911	22.8
163.06032	5.4
165.05479	7.3
167.07008	4.7
168.99539	7.5
169.04942	2.9
172.99297	2.0
176.07068	3.9
177.05478	11.8
177.13579	1.8
180.08662	2.9
193.38680	2.1
201.02176	57.1
207.06590	8.9
209.01128	2.5
219.01750	2.2
219.06628	3.1
223.05949	2.6
237.00717	8.2
237.07545	12.5
241.07129	3.4
249.07579	3.8
255.01849	16.3
255.08566	2.6
259.08182	4.0
267.08557	5.5
273.02829	11.6
278.03583	2.9
290.06918	13.7
307.87457	2.0
356.40826	2.0
393.04959	3.4
411.06226	4.4
429.06912	6.8
452.17767	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	453.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72258	0.7
56.96572	21.5
69.55946	0.7
71.16125	1.9
79.05513	1.5
82.95283	0.7
84.96011	0.8
85.02898	1.0
89.03928	10.4
98.97602	3.5
100.75021	0.9
107.04971	2.6
116.98637	1.6
117.03387	13.6
124.99138	2.7
131.00125	0.8
134.99770	0.7
135.04430	25.7
136.07646	1.3
141.02261	0.9
143.00162	7.5
145.02853	18.4
146.99666	0.9
147.04410	1.4
159.03311	2.5
161.01225	7.6
163.03918	100.0
164.04291	1.4
169.01820	1.4
170.99690	3.2
171.64198	0.8
175.00650	1.3
177.05544	1.0
179.02174	0.9
185.01257	2.8
186.99173	0.9
187.02762	1.6
188.56152	0.9
189.00710	4.7
191.00134	1.1
193.01781	2.0
200.98685	2.4
203.02303	1.9
205.00102	1.2
209.01248	2.5
211.02881	1.8
213.00804	1.7
218.99690	10.4
219.01703	1.7
231.01811	1.8
237.00728	44.3
249.02888	1.6
251.02242	1.1
255.01776	27.6
260.02399	0.8
269.03354	1.1
273.02890	11.4
278.03290	0.9
279.07611	1.0
287.02121	1.9
291.03934	1.4
291.13406	1.0
297.02942	1.3
305.03421	3.0
309.05008	1.1
315.01801	3.1
323.04407	1.3
331.01251	1.2
333.02814	2.9
347.04456	3.4
349.02313	2.3
358.08865	1.0
365.05338	1.8
367.03598	1.7
375.03693	4.6
393.05042	13.2
411.05988	17.4
411.11218	1.4
429.07117	24.9
434.07541	1.1
452.08893	1.3
453.07129	5.7
453.13770	6.0
453.17871	1.2
453.19113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	73.7
58.06563	2.1
62.65161	1.9
70.06601	3.6
71.19030	1.9
71.39896	3.5
79.97263	1.9
84.08126	2.2
84.96019	3.9
85.02914	5.4
89.03915	10.4
97.02882	3.7
98.97581	19.3
101.00880	2.7
107.04936	3.4
110.97575	4.1
112.99139	7.3
116.98635	5.7
117.03345	11.8
117.04077	2.1
118.08659	4.9
119.01913	8.0
124.99100	14.4
127.00659	3.9
127.03835	2.0
128.98615	4.2
131.00168	5.6
131.01878	4.1
133.03479	3.6
135.04399	25.7
139.00618	2.6
141.02222	8.0
143.00183	21.0
143.01895	7.1
145.01729	3.8
145.02672	12.0
147.04401	4.6
152.98553	2.9
155.01898	4.8
157.01683	3.5
157.03554	2.7
158.99698	2.8
159.03285	9.4
161.01253	11.4
161.02945	7.4
163.02530	4.5
163.03902	93.5
164.04225	2.5
167.00188	4.5
169.01744	10.7
169.03348	2.4
170.99641	7.9
173.02933	7.0
175.00653	10.7
177.02248	2.5
179.02280	3.1
185.01241	11.6
185.02856	4.1
186.99217	4.9
187.02872	11.2
187.04292	2.4
189.00714	7.7
189.06258	2.4
191.00174	4.2
193.01799	15.3
194.99670	3.6
203.02281	14.8
203.04039	4.1
205.00180	5.0
205.03740	2.9
206.99725	2.8
209.01213	10.1
211.02792	14.3
213.00731	17.5
216.98694	4.4
218.99635	15.8
221.03313	5.4
221.05208	4.6
227.02246	3.1
229.05898	2.5
231.01729	22.1
234.99724	3.6
237.00719	63.2
237.03012	4.2
245.05083	8.0
249.02782	16.2
251.02354	3.6
255.01775	100.0
256.02170	2.5
269.03131	2.1
273.02832	82.3
279.09375	5.2
287.02170	2.6
293.37756	2.0
301.00348	2.4
305.03146	2.3
307.04828	2.7
315.01709	4.6
323.04370	6.9
331.04895	3.9
333.02866	3.1
343.19626	2.1
347.04361	6.0
349.02197	4.0
349.05936	4.6
361.02591	4.0
365.05362	6.7
367.03140	5.7
375.03818	10.2
393.04941	33.4
393.12537	4.1
411.06018	54.8
429.07086	57.1
453.06888	16.1
453.13187	3.9
471.07437	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1371
Annotation	Aspalathin
Peak:m/z	Relative Intensity
51.03819	0.3
57.03416	0.4
63.27554	0.4
63.32664	0.3
67.05495	0.7
67.06551	0.3
69.03436	0.6
69.07084	0.5
69.45393	0.7
69.45798	2.1
70.06581	1.2
71.04976	0.3
72.08173	0.3
73.19198	0.3
79.05480	0.5
81.03407	0.9
81.07056	0.7
84.08153	0.4
85.02901	1.0
86.09711	0.5
91.05480	1.0
93.07031	0.9
95.08595	0.6
97.02905	0.6
97.06535	0.5
98.97579	0.5
105.06997	0.5
107.08607	0.5
109.10182	0.4
109.54816	0.3
110.06036	0.3
110.07124	0.4
120.08087	0.5
121.02855	1.4
121.10188	0.4
139.03926	0.5
147.04414	0.7
152.05699	0.9
153.41866	0.3
167.07088	0.6
175.03827	0.3
177.05521	0.5
207.06639	0.5
320.09845	0.4
453.13705	100.0
454.13971	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	453.3342
Annotation	Melliferone
Peak:m/z	Relative Intensity
53.05330	0.9
56.91740	1.0
69.27298	7.1
69.27705	2.3
89.06001	2.5
98.20690	1.6
99.30586	0.9
108.80382	0.9
123.30225	0.9
133.08649	1.1
164.93678	0.9
187.03665	100.0
188.04047	1.5
228.06293	3.6
321.98517	1.1
329.16904	1.1
453.33411	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
51.47941	0.7
53.93046	0.7
55.05502	3.2
56.31773	0.8
56.96563	0.9
57.03431	3.3
57.07080	24.3
61.02907	0.9
62.05777	1.3
62.06091	24.1
67.05504	5.6
69.07080	4.6
69.30151	6.7
71.08633	17.3
73.77298	0.7
78.66852	0.8
79.05499	1.4
81.03397	1.0
81.07061	7.8
83.08626	4.9
85.09780	0.7
85.10192	9.4
88.68532	0.7
93.07025	1.3
95.08601	8.9
97.10172	1.9
98.97611	1.0
98.98457	5.7
105.07037	1.0
107.08585	0.9
109.10183	4.3
111.11781	1.1
119.08591	1.0
123.11676	1.9
124.01594	1.2
142.02594	0.8
148.26335	0.8
155.01041	7.0
177.00778	0.8
198.05270	1.6
210.26949	0.8
216.06348	2.9
239.23787	1.3
257.24808	0.8
267.08997	0.9
282.27917	12.9
313.27368	100.0
314.27664	2.0
317.17715	1.0
349.15894	2.1
393.23947	5.7
433.58154	0.7
436.28143	1.1
436.33383	0.9
454.29068	1.3
454.34647	1.4
477.87326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.2
57.07080	34.3
57.54964	0.8
67.05501	1.7
69.07063	3.6
71.08636	26.3
73.06561	6.0
79.05492	1.5
81.07067	3.4
83.08610	2.6
85.09702	1.7
85.10185	21.3
87.04475	2.1
89.06036	100.0
90.06358	0.9
91.05495	1.0
93.07055	2.0
95.08613	4.4
97.10175	3.3
98.21534	1.3
99.11735	4.3
105.07005	1.8
105.47149	0.9
107.07093	2.5
107.08618	2.6
109.10177	2.2
111.08109	0.7
113.13328	1.6
116.65548	0.9
117.09103	2.3
119.08571	1.6
121.10147	2.4
123.11726	1.4
130.08670	2.7
133.08617	47.4
134.08902	0.8
135.08020	1.0
135.11636	0.9
151.09721	1.2
155.17897	4.1
159.08096	1.3
159.11745	1.2
171.11678	1.0
172.12048	1.0
173.18596	0.8
177.11247	15.9
180.81195	0.8
189.16469	1.0
192.34724	0.9
195.12314	2.4
199.20584	3.8
221.13869	1.1
239.14914	2.1
243.23166	8.2
283.17529	13.8
287.25812	2.9
349.29428	1.9
393.31912	1.6
437.34784	15.8
454.18164	0.9
454.34030	1.9
455.35486	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43502	0.7
53.03940	1.1
55.05488	0.8
56.96541	1.2
57.03185	0.7
57.03436	7.8
61.02889	2.4
69.03441	3.6
70.06593	3.9
70.95104	0.7
71.04961	1.2
71.59623	1.4
72.08118	0.8
73.02923	13.1
79.05476	1.5
81.03388	2.4
81.07012	1.8
83.04944	0.8
84.08109	1.9
85.02923	4.9
86.09678	0.9
89.03891	0.8
91.05474	1.0
95.04976	1.0
97.02850	2.9
98.97554	1.0
104.71728	0.7
105.06962	1.2
109.02821	1.6
110.07124	2.1
115.03876	1.6
115.10147	0.6
119.04915	1.2
123.04391	0.9
124.07598	1.8
127.03874	2.0
135.04413	1.7
136.07443	0.9
136.97496	0.7
141.06744	0.8
142.06435	0.9
145.02824	1.6
145.04897	0.9
152.07100	0.8
158.06001	1.2
158.99614	0.8
161.02040	2.9
163.03880	3.9
167.06915	1.1
168.77014	0.7
170.08061	1.0
176.07047	9.3
177.05437	1.7
185.04167	1.9
193.09657	2.9
203.05289	0.8
207.06445	1.3
213.05373	1.6
213.12424	0.7
215.11691	1.0
229.06801	1.0
237.02739	1.3
257.12662	0.8
275.07401	1.0
275.13858	3.5
293.06329	1.9
293.15060	1.0
317.08435	61.0
317.14371	2.5
335.09479	64.4
336.09747	1.0
411.12274	1.2
432.33093	0.8
455.11279	100.0
456.11542	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	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58385	0.7
56.96552	2.8
57.03421	1.5
65.03931	0.7
67.05502	1.2
69.03422	1.5
69.60480	5.2
70.06571	2.7
75.53024	0.7
79.05473	0.9
80.21147	0.7
81.03413	1.1
81.07046	1.1
84.04498	1.0
84.08117	2.4
85.02891	2.7
86.09673	1.2
89.03867	1.7
91.05482	1.0
97.02895	1.4
98.20759	1.5
98.97564	2.6
106.79113	0.8
107.04945	1.1
109.02908	1.4
110.07160	1.5
116.98626	1.1
117.03359	1.8
119.04940	1.1
123.04442	0.8
127.03924	1.1
128.98564	1.2
135.04378	2.2
136.07602	1.3
140.15933	0.7
143.00122	1.2
145.02840	2.1
147.04433	1.6
160.07590	1.2
162.05612	0.7
163.03914	9.3
164.04132	1.0
167.07045	3.6
177.00580	0.8
177.05489	2.5
183.08069	0.8
206.05539	8.1
206.07462	1.0
206.08006	0.9
207.06339	8.8
207.08160	1.5
219.01732	1.0
227.05244	2.5
237.00648	0.9
237.02814	1.3
255.01689	1.4
271.04297	3.2
317.08517	1.3
335.09521	2.1
369.11627	5.9
409.68515	0.7
411.12628	38.2
412.12903	1.6
455.11575	100.0
456.11792	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	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63699	1.6
69.27625	14.6
77.05247	1.6
95.75515	1.6
98.20647	3.1
101.00902	2.5
103.62816	1.5
112.89610	44.9
119.01168	1.8
119.01883	8.5
127.03934	2.6
131.01904	5.1
140.74347	1.4
143.01901	12.2
145.03468	4.1
155.01920	13.4
157.03485	2.8
161.02962	13.1
163.03912	3.6
166.96548	1.3
167.01932	2.8
173.02959	26.2
185.02922	15.0
197.03011	2.8
203.03957	9.8
215.04076	1.5
221.05087	3.8
227.03841	1.6
233.22925	1.4
245.05070	29.1
263.06226	3.4
275.02695	3.3
275.06207	5.3
293.03589	9.7
293.06848	2.8
305.07153	2.2
320.11148	1.6
365.09338	4.2
454.15952	1.8
455.11679	100.0
456.12210	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93505	0.8
71.44324	1.6
94.93023	3.0
96.92844	1.6
99.71249	0.9
112.89609	2.8
201.09715	1.0
212.85231	2.3
250.89478	3.2
252.63489	0.9
253.47906	1.2
327.98236	1.0
344.85803	2.1
455.11661	100.0
456.12000	3.2
458.32193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.05514	12.7
56.05031	8.7
56.96550	13.5
57.03428	18.4
67.05511	10.0
69.03426	17.9
69.07059	5.3
70.06602	33.1
71.04980	18.3
71.60804	6.4
72.08155	19.1
72.86692	4.6
73.02929	23.7
79.05493	10.9
81.03417	15.4
81.07050	14.6
83.04985	10.2
83.18628	5.2
84.04508	12.4
84.08143	40.7
85.02905	24.3
86.09702	9.0
88.45343	4.8
89.03920	5.4
89.06042	37.3
91.05473	17.7
93.07042	6.2
94.06612	5.2
95.04987	9.6
95.06135	6.1
95.08573	7.0
96.08112	9.0
97.02869	15.8
97.06544	6.4
98.97575	21.5
102.05565	7.3
107.08601	9.2
109.02860	7.7
110.07172	5.6
111.05554	13.7
116.98631	11.9
117.03351	8.2
119.04949	8.8
120.08112	25.0
120.09106	5.3
121.06554	6.5
123.05576	8.3
124.07586	24.8
125.09637	15.4
127.03894	6.8
129.10251	7.6
129.70145	4.7
130.06509	5.4
135.04437	49.2
136.07568	9.4
141.06584	24.8
145.02847	18.7
145.08595	10.7
147.04413	11.9
151.03828	7.0
158.06003	7.1
159.07697	13.1
160.07648	5.5
163.03896	54.9
164.04323	7.9
167.07083	9.3
170.08139	22.7
176.07077	35.6
177.05458	22.4
207.06403	9.2
213.12341	7.1
237.00591	8.8
237.02774	11.8
247.14445	5.6
255.01854	5.7
257.12848	7.1
275.14020	14.6
293.06247	10.3
293.11566	5.3
302.10559	5.8
313.11880	5.2
317.08521	57.2
335.09567	66.4
430.61139	5.6
455.11005	100.0
455.20969	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	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.8
56.96552	4.1
57.03428	3.3
57.07070	5.8
60.95842	2.2
67.05504	17.0
68.66158	2.1
69.03431	8.0
69.07075	17.0
69.47650	15.1
70.81752	2.1
73.28232	1.9
79.05488	13.7
81.07058	35.4
83.04975	3.1
83.08613	6.5
85.06509	2.5
91.05481	9.2
93.07062	21.5
95.04944	7.3
95.08610	39.2
97.06543	6.3
97.10142	4.9
99.04457	2.1
105.07047	22.2
107.08591	40.6
109.06524	4.5
109.10155	25.9
111.08077	5.3
111.11716	2.6
117.06982	3.0
119.08578	26.0
119.09351	3.1
121.06499	5.6
121.10140	30.0
123.08062	5.4
123.11693	16.0
125.09651	5.4
131.08569	8.4
133.06483	2.5
133.10135	20.4
135.08063	9.2
135.11708	18.8
137.09686	3.3
137.13258	8.0
139.11160	2.4
143.08588	8.6
145.10149	17.3
147.08025	5.5
147.11703	17.0
148.43660	1.9
149.09598	7.1
149.13274	14.5
151.11176	3.0
155.08540	2.8
157.10146	5.4
159.07919	2.0
159.11708	18.0
161.09674	11.5
161.13277	10.5
163.11205	5.0
163.14816	5.8
165.09106	2.4
169.10072	3.8
171.11681	7.4
173.09605	4.8
173.13280	11.3
175.11237	10.1
175.14822	10.9
177.12761	5.7
177.16408	5.0
183.11606	4.8
185.13229	5.4
187.11186	20.0
187.14867	7.9
189.12840	2.6
189.16389	7.5
191.17990	5.1
197.13272	3.7
199.14804	7.7
201.12712	9.7
201.16342	4.1
202.13509	2.6
203.14296	2.5
203.17996	3.3
205.15848	4.6
205.92059	2.3
211.14854	4.1
213.16379	5.3
215.14349	2.7
215.18015	2.7
217.15778	4.9
219.17448	2.3
225.16353	4.4
231.17459	6.9
232.18138	2.4
233.15404	3.4
243.17537	11.3
259.20624	3.1
279.21091	2.7
285.22305	2.5
289.17984	5.0
297.22241	2.9
311.23651	7.1
317.17816	2.4
318.18243	5.3
321.17285	8.0
325.25275	6.7
331.70828	2.5
339.18265	2.4
339.26999	11.6
340.27591	22.8
353.28452	4.9
381.31534	58.1
386.29968	2.1
409.31052	6.3
419.33237	3.8
427.32101	80.9
428.32544	3.9
437.33972	11.4
455.30435	100.0
455.36066	32.0
456.31458	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	455.3522
Annotation	Embelinone
Peak:m/z	Relative Intensity
51.09396	0.5
55.05515	2.8
56.15133	0.4
56.96568	0.4
57.07071	1.0
67.05499	3.6
69.07075	7.9
69.31174	4.3
71.05006	0.6
71.08662	0.5
79.05493	1.9
79.20110	0.4
81.07062	7.5
83.08614	2.6
86.75719	0.5
91.05476	2.7
93.07051	5.5
95.04976	0.5
95.08604	11.3
97.06485	0.5
97.10147	1.0
98.21452	0.8
101.60137	0.5
105.07021	4.6
105.33279	0.4
107.08601	8.8
107.09284	0.8
109.06557	0.6
109.10152	6.9
111.08120	0.4
111.11713	2.3
117.07028	1.0
119.08586	6.1
121.06519	1.6
121.10143	8.7
123.08097	0.8
123.11732	4.9
129.06969	0.6
131.08588	1.8
133.10139	5.3
135.08086	1.3
135.11702	4.1
137.13297	1.9
142.07800	0.5
143.08537	1.1
145.10141	3.7
147.08054	0.9
147.11699	3.5
149.09668	1.7
149.13304	1.5
151.14836	1.9
155.08514	0.7
157.10135	1.9
159.08067	0.9
159.11716	3.8
161.09644	1.3
161.13278	3.6
163.11209	0.6
163.14853	1.9
169.10167	1.1
171.11728	1.8
173.09660	1.3
173.13295	3.3
175.11240	1.8
175.14862	2.1
177.16432	1.3
179.10719	0.9
183.11795	1.3
184.08902	0.6
185.13300	2.0
187.11224	1.5
187.14835	2.2
189.12732	1.1
189.16435	2.0
191.10710	0.6
191.14261	1.0
191.17955	0.9
193.07268	0.5
193.12251	0.9
195.11720	0.8
197.13284	1.1
199.11281	0.6
199.14961	0.8
201.12802	1.1
201.16415	1.7
203.14345	0.6
203.17963	1.1
205.16034	0.6
211.11153	0.5
211.14835	0.9
213.12833	1.1
213.16444	0.9
215.14413	0.7
215.18042	1.3
217.15793	0.7
217.19728	0.5
219.13866	1.6
225.12779	0.6
225.16455	1.0
227.18098	0.7
229.15874	0.8
229.19592	1.0
235.16908	0.6
237.16354	0.8
237.58490	0.5
238.17310	0.5
239.14267	0.6
239.18040	1.1
241.15967	1.0
241.19545	1.1
243.17451	1.1
243.21262	0.8
247.16968	0.9
253.19482	0.5
255.17363	0.5
261.18597	1.2
267.17465	0.9
267.21155	1.4
269.10825	0.9
271.20554	0.5
273.18433	0.5
281.19150	0.8
281.22726	1.3
287.20230	0.7
291.20923	0.7
295.20770	0.7
299.23550	0.6
309.22083	0.9
313.21790	1.2
315.23532	0.5
325.66843	0.5
327.23203	3.5
341.24780	1.1
349.25635	0.9
365.28812	0.6
391.33746	2.3
397.31256	0.8
410.78983	0.5
419.33398	2.2
437.34332	9.6
441.63651	0.5
455.35303	100.0
456.35657	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	455.352
Annotation	Embelinone
Peak:m/z	Relative Intensity
52.33196	0.4
55.05512	1.1
57.07068	0.9
67.05505	1.6
69.07081	3.3
69.24089	4.8
70.66683	0.4
75.24567	0.5
79.05485	0.8
81.07068	3.7
83.04974	0.5
83.08621	1.1
91.05499	1.0
93.07042	2.0
95.04940	0.5
95.08617	7.2
97.10156	0.5
99.75491	0.4
105.07036	2.0
107.08585	3.8
109.06513	0.8
109.10177	4.0
111.08112	0.8
111.11713	1.2
117.07036	0.8
119.08572	5.1
121.06490	0.6
121.10157	3.9
122.42147	0.4
123.08102	0.9
123.11705	2.0
127.76508	0.5
131.08574	2.3
133.10141	3.8
135.08084	1.6
135.11678	2.3
137.13249	1.4
143.08553	0.6
145.10121	3.3
147.11714	1.6
149.09570	0.7
149.13304	0.7
155.08562	0.5
157.10152	1.5
158.10872	0.9
159.11693	2.1
161.09624	1.3
161.13307	0.6
163.11221	0.5
163.14873	1.0
169.10088	0.6
171.11714	0.9
173.09685	0.5
173.13281	9.3
175.11224	0.8
175.14854	0.7
177.16338	0.5
185.13264	0.9
187.11221	0.6
187.14828	1.7
189.16362	0.6
191.17943	1.6
199.14845	0.9
201.16330	0.5
203.17966	0.6
203.52785	0.5
205.15939	0.7
205.19559	0.4
213.12865	1.1
215.14415	1.0
217.15985	0.6
223.14641	0.7
225.12849	0.6
225.16348	0.6
227.14349	1.4
231.13884	0.7
231.17580	0.6
233.15392	2.9
281.19183	0.8
299.20044	0.5
315.19769	0.5
341.28619	0.7
369.31702	0.7
401.32568	0.6
419.33167	2.1
437.34189	13.4
438.34372	0.6
454.67227	0.5
455.35239	100.0
456.35535	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	455.3522
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
54.16047	1.1
55.05517	7.9
56.48956	1.2
57.07074	4.8
67.05502	15.0
69.03423	1.8
69.07070	17.8
69.32918	1.3
69.33234	13.5
71.05006	3.3
71.08614	2.5
79.05499	8.4
81.07059	29.0
83.04995	3.2
83.08624	7.1
91.05468	7.4
93.07050	17.6
95.04972	3.2
95.08611	52.2
97.06541	4.1
97.10178	3.6
102.26897	1.4
105.07019	11.9
107.08600	30.5
108.17109	1.3
109.06537	4.0
109.10159	32.3
111.08116	3.9
111.11721	5.1
117.07027	2.1
119.08591	19.5
121.06525	4.4
121.10144	26.9
123.08113	3.7
123.11714	17.4
125.09672	1.4
129.06998	2.7
131.08580	8.0
133.10135	15.0
135.08093	9.3
135.11690	14.0
137.09657	3.7
137.13266	10.6
141.06976	1.7
143.08603	4.2
145.10101	8.4
147.08092	2.8
147.11697	9.3
149.09631	6.7
149.13271	41.4
151.11232	2.6
151.14873	2.5
154.30533	1.4
155.08501	2.1
157.10114	7.6
159.11711	9.8
161.09598	7.2
161.13290	5.1
163.11253	3.4
163.14799	6.9
169.10167	2.7
171.11728	6.8
173.09616	3.3
173.13234	9.4
175.11244	6.0
175.14888	5.1
177.12836	2.8
177.16429	2.2
179.17970	1.6
183.11726	2.5
185.13254	6.7
187.11201	3.8
187.14873	5.3
189.12804	3.6
189.16423	2.9
191.14333	11.5
191.17978	7.7
193.12297	1.5
195.11621	1.5
199.14842	2.8
201.12749	3.7
201.16483	2.1
203.14395	3.0
203.18007	2.2
205.15918	1.8
205.19580	5.3
207.17358	1.5
211.14862	1.9
213.12717	2.2
213.16344	2.2
215.14432	2.9
215.17970	2.1
217.12283	1.6
217.15977	2.4
217.19547	2.8
225.16502	1.6
229.15929	2.3
231.13901	4.2
231.17577	1.8
233.15367	2.5
241.19688	1.6
243.21115	1.4
259.17065	1.3
259.20676	1.8
261.72968	1.3
271.20795	1.6
281.19095	1.6
299.20139	4.9
299.23438	1.4
312.97641	1.4
323.27365	2.1
339.26819	2.6
341.28583	3.0
367.29901	3.6
393.31418	2.0
409.34741	4.6
411.32642	3.0
419.32977	12.9
437.34189	95.2
455.29849	4.2
455.35284	100.0
456.35544	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	455.3523
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.98077	1.1
55.01876	1.2
55.05518	9.0
57.03449	1.4
57.07073	4.6
67.05504	13.8
69.03431	1.3
69.07071	12.3
71.08624	3.2
71.60129	1.8
79.05502	8.9
81.07060	23.6
81.07512	2.0
83.04978	1.7
83.08612	6.6
84.12287	1.1
91.05476	9.0
93.07049	14.7
95.04970	3.2
95.08604	26.6
95.51659	1.3
97.06548	3.8
97.10182	4.8
98.76247	1.5
99.08097	2.2
105.07037	12.0
107.08597	24.3
109.06547	2.0
109.10154	19.5
111.08115	1.7
111.11722	3.0
117.07045	3.6
119.08583	25.6
119.09427	1.8
121.06504	3.0
121.10153	16.1
123.04458	1.3
123.08082	3.8
123.11722	9.1
124.93774	3.4
125.05963	6.1
125.09659	3.8
129.06966	1.2
131.08624	4.7
133.10129	22.6
135.08060	4.9
135.11688	22.2
137.09604	1.9
137.13309	4.1
139.07565	3.6
139.11131	1.2
142.94766	1.5
143.08615	3.7
145.10115	12.3
147.11682	14.5
149.09657	3.0
149.13275	7.4
151.11157	2.9
151.14828	1.7
157.10133	2.8
159.08109	2.3
159.11676	8.0
161.09631	3.5
161.13293	5.5
163.11195	1.6
163.14786	9.5
169.10164	2.9
171.11745	2.6
173.08336	1.4
173.09697	5.7
173.13327	5.4
175.11185	3.6
175.14821	2.8
177.09167	2.6
177.16330	2.6
185.13252	2.1
187.11191	10.9
187.14789	8.3
189.12865	1.9
189.16393	39.7
191.10715	2.7
191.14481	1.5
191.17998	2.5
197.13263	4.5
199.14951	2.4
201.12721	1.9
201.16460	3.4
203.14374	2.2
203.18077	1.8
205.15988	4.6
205.19588	3.2
207.17444	76.5
211.14870	3.1
213.16420	1.9
215.14326	13.2
215.17920	1.4
217.15945	2.6
221.15771	1.2
221.18930	1.2
225.16449	1.5
227.18033	1.7
229.15880	59.9
231.17485	9.4
233.15372	28.7
233.19101	2.9
243.17581	4.8
247.16943	24.0
257.19086	4.0
257.23080	1.3
283.20679	4.3
287.04715	1.5
297.22314	1.8
299.41843	1.3
409.35178	2.0
419.33240	3.1
437.34268	35.0
438.34326	1.4
455.22256	5.8
455.35373	100.0
456.35535	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05505	0.6
56.96570	0.2
63.02371	0.4
67.05522	1.1
68.25270	0.3
69.03420	0.6
69.07071	1.5
69.92913	1.1
79.05499	2.0
81.03408	0.7
81.07045	1.6
83.04971	0.3
84.04505	0.4
85.02899	0.7
85.06548	0.3
85.09833	0.2
87.08064	0.5
89.03923	9.2
89.04474	0.5
91.05497	1.0
93.07061	1.5
94.55918	0.3
95.04968	0.8
95.08607	1.4
97.02865	0.4
97.06577	0.3
97.10174	0.3
98.21407	0.3
105.03371	0.4
105.07021	1.0
107.04968	2.5
107.08598	1.1
108.20616	0.2
109.02917	0.3
109.06454	0.3
109.10157	1.0
111.04443	0.2
117.03392	11.5
117.06976	0.3
119.08575	1.2
119.67754	0.2
121.10159	0.9
123.08046	0.3
123.11662	0.3
127.03937	0.3
127.07470	0.3
129.06975	0.2
130.06667	0.2
131.08577	0.4
133.06458	0.3
133.10141	0.7
135.04424	19.0
135.08025	0.3
135.11711	0.6
137.06007	0.3
137.09610	0.4
137.13162	0.3
142.03241	0.5
145.02856	15.1
145.10110	0.6
146.03262	0.3
147.04398	0.5
147.11714	0.7
149.09631	0.6
149.13271	0.4
150.43919	0.3
153.01842	3.5
159.11687	0.4
163.03914	100.0
164.04245	1.4
165.09145	2.6
167.07076	0.4
177.05447	0.5
187.14833	0.3
189.05533	0.3
192.04216	0.4
193.04973	0.9
203.06996	0.3
205.04977	21.7
206.05408	0.4
217.04973	0.5
231.06511	2.9
245.05620	0.3
249.07596	18.9
250.08069	0.3
295.08136	9.1
295.11301	0.5
331.08453	0.4
377.02762	0.3
385.05508	0.3
457.11304	13.2
457.20715	0.9
457.36859	0.3
458.11710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
53.61483	0.3
55.01855	0.5
55.05476	0.6
57.03405	0.8
64.98866	0.3
65.03930	0.4
67.43005	0.3
68.99760	0.4
69.03404	0.9
70.06600	2.4
71.40120	0.7
72.08112	1.0
79.05476	0.9
81.03401	0.8
81.05768	0.4
81.07014	0.6
84.04492	0.4
84.08114	1.0
85.02926	2.0
86.09666	0.8
91.05460	0.8
91.06102	0.3
93.03346	0.5
95.04971	0.5
96.08140	2.1
97.02866	1.2
97.06502	0.7
98.97547	0.5
105.03386	0.8
105.07015	0.4
106.06535	0.5
107.04943	0.5
109.02836	0.7
109.06492	0.8
112.07590	1.3
119.04897	0.9
120.08076	0.3
121.02872	3.1
124.07591	12.8
127.03888	0.7
127.11105	0.3
129.10231	0.4
135.04425	0.4
137.05948	0.5
145.02852	0.4
147.04430	0.5
149.05975	0.4
151.03972	0.4
153.01834	13.6
154.08594	1.1
156.10193	0.4
158.99677	0.4
159.04320	0.3
162.05537	0.3
163.03935	0.8
172.09663	1.2
175.03868	0.4
177.05487	0.7
179.03444	0.7
189.01762	0.7
190.02631	0.4
191.03380	0.4
191.14262	0.8
192.04158	2.4
193.04980	1.9
195.02879	0.5
203.07080	0.4
205.04962	46.0
206.05219	0.6
207.02817	0.5
207.06554	0.6
209.04337	0.5
209.15295	0.5
213.05345	0.5
215.03487	0.4
217.04950	0.9
231.06497	2.7
232.13193	0.3
249.07600	38.6
250.07896	0.9
259.14417	1.1
260.12848	0.6
268.07352	0.7
277.07263	0.4
277.15448	2.2
279.06644	0.6
280.07016	0.4
291.06561	0.4
293.08228	0.5
294.05322	0.9
295.08163	100.0
295.16339	3.1
296.08521	1.1
297.07520	0.8
307.06091	2.9
308.06778	1.5
309.07504	0.5
319.06052	0.5
321.07730	0.9
322.08411	1.2
323.08932	0.6
325.03653	0.4
325.07062	10.2
337.07092	4.3
347.09213	0.6
349.39377	0.3
351.08652	2.6
363.08945	0.5
365.10181	1.2
367.08282	0.5
375.08527	0.7
379.08173	5.2
391.08197	1.4
403.08121	1.5
409.09290	0.9
421.09280	2.6
439.10361	2.6
439.19437	0.6
457.11041	4.4
457.15854	0.6
457.21616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01860	2.1
55.05497	1.7
56.96564	0.7
57.03431	1.5
57.07054	0.8
58.38330	0.7
61.02921	1.2
65.65150	0.7
67.05494	2.5
68.99785	1.5
69.03431	11.9
69.07056	2.9
69.44218	5.2
70.06570	1.5
71.04978	1.1
73.02905	1.8
77.99532	0.6
78.91913	0.6
79.05489	2.3
81.03414	11.3
81.07062	5.0
83.04981	1.8
85.02907	16.3
85.06547	1.1
87.00835	6.7
91.05483	3.3
93.07040	3.6
95.04970	3.8
95.08594	4.9
97.02890	6.2
97.06519	1.4
98.97567	0.9
99.04462	3.8
104.23419	0.6
105.01869	3.3
105.07027	5.8
107.04926	0.8
107.08601	5.8
109.02866	7.9
109.06520	5.9
109.10157	3.5
111.08069	0.7
117.01889	0.8
119.08593	3.4
121.06500	1.2
121.10133	9.1
122.07265	1.6
123.08067	4.7
123.11691	2.6
125.09588	0.9
127.03917	9.8
131.08542	2.6
133.10136	8.9
135.04375	1.8
135.08054	2.4
135.11642	1.4
137.09607	11.8
137.13283	0.8
145.02899	0.8
145.05023	4.0
145.10080	1.8
147.11710	2.3
149.09615	7.3
149.13249	4.6
151.11189	42.3
151.21892	0.6
158.10754	0.8
159.02864	3.5
163.03886	5.7
163.14848	1.3
165.09163	1.4
165.12761	35.9
171.11670	0.6
173.13255	4.7
175.03911	0.7
177.05464	0.8
182.50844	0.8
191.14304	7.1
193.15866	5.9
205.04935	1.3
205.11971	0.7
209.15361	100.0
210.15714	1.9
213.03864	0.8
227.94739	0.7
231.04866	1.4
249.07697	1.3
457.24234	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.63079	3.7
55.69794	3.3
56.96566	5.1
57.03412	3.2
59.42519	4.0
62.30830	3.7
67.05496	7.5
69.03436	16.8
69.07067	13.7
71.05004	6.9
79.05501	12.7
81.03400	7.1
81.07060	17.2
83.04986	19.7
83.08624	4.2
85.02894	14.0
86.09685	3.7
87.00861	4.7
91.05479	11.3
93.07043	11.7
95.04974	7.3
95.08607	28.2
97.02897	6.5
97.06551	8.1
98.97594	5.3
99.08114	5.3
105.07021	10.9
107.04942	4.3
107.08600	40.5
109.02889	11.4
109.06514	10.3
109.10156	19.6
116.98632	3.7
118.83116	3.6
119.08562	8.5
121.06515	8.5
121.10159	43.1
123.08083	6.9
123.11689	4.7
125.09628	11.9
127.03943	9.7
131.08568	7.3
133.10130	25.6
135.08063	19.1
135.11710	7.8
137.08630	3.8
137.09555	19.1
139.11198	4.5
145.02751	3.8
145.10054	5.5
147.11674	12.6
149.09639	19.3
149.13242	20.6
151.11188	97.7
153.09084	3.7
158.10895	5.4
163.03873	7.5
163.14801	15.6
165.09122	9.5
165.12785	6.9
173.13264	14.8
177.05466	4.9
181.04977	5.1
187.07532	4.5
191.14323	100.0
209.15392	85.0
215.07030	6.0
229.11856	5.1
237.03003	4.1
238.56535	3.7
292.09933	4.0
325.60303	4.2
369.13376	13.8
389.14658	4.6
457.14828	7.9
457.23630	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
53.77531	1.8
55.01865	2.5
55.05514	5.3
56.96554	3.1
57.03429	2.3
59.96584	1.8
61.02939	2.0
67.05502	9.6
69.03431	61.5
69.07064	5.7
69.46823	15.5
70.06601	3.8
71.04996	4.4
72.91818	1.7
79.05492	7.1
81.03411	7.1
81.07059	17.6
83.04990	7.3
83.08598	3.1
85.02907	22.8
85.06551	3.6
86.09695	7.4
87.00828	8.9
91.05473	11.3
93.07059	12.9
95.04977	4.8
95.08619	17.7
97.02909	10.5
97.06522	7.7
98.21494	2.0
98.97598	4.7
99.04441	3.2
103.05437	2.6
105.01891	6.9
105.07014	14.0
107.04970	2.9
107.08594	19.6
109.02894	7.9
109.06526	9.3
109.10153	14.8
111.08124	5.0
117.07033	2.8
119.04926	2.9
119.08601	11.2
120.08200	2.1
121.02901	2.5
121.06479	3.0
121.10172	17.7
123.08118	4.2
123.11730	9.2
125.09641	21.4
127.03925	11.0
129.10265	1.7
131.08566	12.0
133.10153	10.6
135.08081	15.5
135.11688	9.6
137.05983	2.2
137.09624	9.9
137.13278	2.9
145.04921	4.3
145.10135	7.8
147.04482	1.9
147.11700	6.7
149.09621	12.1
149.13272	7.2
151.07571	2.4
151.11143	2.8
153.09134	7.7
157.10165	3.3
158.10864	4.1
159.02940	3.6
163.11211	7.6
163.14841	4.0
165.09122	62.3
165.12776	4.5
173.13300	24.5
176.12012	2.2
177.05516	3.0
191.10654	3.5
191.14317	100.0
201.04774	3.0
203.10654	2.3
205.12263	3.9
207.06558	2.6
209.15376	95.7
211.19344	1.8
217.04147	2.8
219.05754	8.4
235.05246	9.0
295.08777	37.4
321.99387	1.9
389.20090	1.9
413.17502	2.5
457.13943	11.7
457.24683	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	457.368
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05507	16.6
55.05741	3.0
55.15177	2.8
57.07060	12.7
61.78598	3.5
65.03923	3.6
66.90698	3.0
67.05514	32.2
69.07074	49.1
69.23158	28.4
71.08642	4.2
79.05499	37.7
81.06571	4.0
81.07057	60.0
83.08621	12.9
88.07626	3.9
89.06019	5.3
91.05465	13.6
93.07051	37.2
95.04972	3.2
95.08614	100.0
97.06531	5.3
97.10156	8.3
102.09122	3.4
105.07040	19.2
107.08602	82.6
109.06536	4.6
109.10169	72.7
111.08087	8.9
111.11693	14.6
112.99999	7.1
116.78246	3.3
119.08569	34.4
121.06520	4.9
121.10162	43.2
123.08072	6.6
123.11731	30.5
125.09641	22.4
131.08585	8.6
133.10129	25.7
135.11717	23.2
135.42853	3.1
137.09627	7.8
137.13269	14.2
145.10170	17.9
147.11665	8.9
149.09624	4.9
149.13264	15.8
151.14851	6.8
157.10138	6.2
159.11670	14.3
161.09509	4.0
161.13196	16.0
163.14822	37.0
165.09140	10.1
169.02646	4.7
171.11737	5.8
173.13281	11.1
175.11317	4.3
175.14786	12.6
177.16394	12.2
182.26814	3.3
183.11624	3.3
185.13249	4.6
187.14835	12.1
189.12973	3.8
189.16322	16.1
191.14351	5.7
191.17931	11.5
200.20178	5.7
201.16414	14.0
201.20389	4.0
203.17995	4.7
205.15964	6.8
205.19525	25.2
217.15829	6.0
217.19582	4.8
219.13847	3.9
219.17426	10.5
219.21190	4.0
229.15799	4.0
229.19553	3.2
259.20801	4.3
273.25729	8.3
284.26678	6.1
287.27429	4.3
297.25806	11.2
315.26886	24.4
321.44980	3.6
335.90759	3.5
421.34595	10.7
439.36136	37.2
457.36475	37.5
457.44427	17.1
461.09198	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	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.54342	2.5
55.05505	10.1
57.07073	7.5
67.05513	20.2
69.03437	2.5
69.07071	27.0
71.04955	2.6
72.96821	2.8
73.51861	2.5
79.05470	8.9
81.07065	29.9
83.08611	7.5
85.06554	2.4
91.05469	9.2
93.07055	21.6
95.04948	5.9
95.08039	4.7
95.08611	66.6
97.06548	3.1
97.10185	3.5
105.07043	17.8
107.08601	34.8
109.06521	5.3
109.10167	36.7
111.08060	2.7
111.11734	7.0
113.09663	11.2
117.06995	3.2
119.08591	32.6
121.06539	4.1
121.10138	34.2
123.08070	7.7
123.11719	18.0
131.08575	9.0
133.10146	28.5
135.08070	7.4
135.11707	19.6
137.09598	5.3
137.13254	13.0
141.09097	5.0
143.08551	4.0
145.10158	18.2
147.08061	2.3
147.11699	15.9
149.09596	2.9
149.13248	14.0
151.14818	2.3
157.10088	5.3
159.11674	11.1
161.09639	3.3
161.13245	16.8
163.11229	4.3
163.14818	7.6
165.12778	7.7
169.10097	3.5
171.11734	5.7
173.09612	4.2
173.13274	7.0
175.14865	19.9
177.12769	4.0
177.16341	3.2
185.13240	4.5
187.14824	18.9
189.12708	4.2
189.16435	11.7
191.18039	5.1
193.12236	10.6
193.15881	6.6
197.13312	3.1
199.14780	5.6
201.16321	4.5
201.20407	2.5
203.14362	5.4
203.17970	3.7
205.19571	7.9
207.17531	3.0
213.12708	2.7
213.16431	2.8
215.14325	9.9
215.17873	3.3
217.15935	6.9
217.19354	3.0
219.17387	4.8
219.20963	3.2
223.14777	3.0
225.16455	2.7
231.17445	3.8
239.17963	2.8
241.19382	3.1
243.20963	3.5
249.13341	3.0
265.19775	2.7
273.22250	2.6
283.20752	3.0
284.26608	2.8
299.23801	3.1
327.26871	2.8
339.26855	2.9
369.31516	6.7
403.33591	10.7
411.32581	9.1
421.34692	100.0
422.35013	4.3
439.36078	87.9
457.35391	73.3
457.44827	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	457.3678
Annotation	beta-Peltoboykinolic acid
Peak:m/z	Relative Intensity
55.05509	3.9
56.81489	0.9
57.07067	4.0
67.05514	8.0
67.37074	0.8
69.07071	13.4
71.08613	1.6
73.00114	0.8
73.30102	1.0
79.05499	3.8
81.07058	22.7
83.00459	0.9
83.08611	5.6
88.07610	1.6
91.05486	2.6
93.07030	8.8
95.08614	38.1
95.09235	1.9
97.10171	2.3
102.09191	1.4
105.07043	7.4
107.08595	16.4
109.06529	1.5
109.10166	17.2
109.36290	0.9
111.11758	2.7
117.07011	1.3
119.08590	11.5
119.25914	1.0
121.10149	12.5
122.60139	0.9
123.08067	1.5
123.11701	8.9
124.06413	1.0
125.09628	1.7
131.08569	3.5
133.10130	11.7
135.08058	2.0
135.11668	8.6
137.09586	1.6
137.13261	14.2
139.07532	2.3
143.08568	1.9
145.10085	5.4
147.08078	1.9
147.11668	7.6
149.09615	1.6
149.13298	4.5
151.07494	1.9
151.11099	1.2
151.14832	2.1
153.09056	2.2
157.10146	3.5
159.11678	6.9
161.09712	1.3
161.13264	4.2
163.11133	1.4
163.14859	2.0
165.09119	2.8
171.11658	2.5
173.13196	5.1
175.07489	0.8
175.11208	1.7
175.14832	10.9
177.09024	1.5
177.16434	4.9
179.10684	2.2
179.14410	1.3
185.13371	1.5
187.11182	1.1
187.14841	4.0
189.16414	3.6
191.10736	1.7
191.17960	4.4
193.12225	1.6
199.14833	1.3
200.20172	2.3
201.16447	2.1
201.20467	1.1
203.14354	1.3
203.17996	5.1
205.12317	1.0
205.19537	2.5
213.16457	1.6
215.17902	2.1
217.19440	1.7
219.17296	1.4
221.15340	3.7
227.17989	1.2
229.19550	2.5
231.17334	1.9
233.15295	1.5
235.16820	1.4
243.21117	11.5
245.22597	1.4
247.20485	1.2
249.18655	1.0
255.21117	2.8
261.18390	1.5
269.22653	1.4
275.20117	2.2
284.26624	3.1
287.20126	1.6
289.21545	2.2
301.21704	5.1
301.24960	1.0
303.23184	2.3
311.23593	1.0
315.23065	1.2
329.24960	1.9
358.34894	1.1
393.35025	4.8
393.89752	1.0
393.95676	1.0
411.36234	24.0
412.36627	2.2
421.34659	3.4
423.72775	1.0
439.35733	100.0
440.36096	3.8
457.36383	21.9
457.44391	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	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01871	6.1
55.05509	10.7
56.96566	3.5
57.03441	8.5
57.07059	4.1
61.02919	13.6
67.05507	36.2
69.03432	27.2
69.07078	8.9
71.04990	6.6
73.02921	3.6
74.69375	3.3
79.05489	9.9
81.03394	15.1
81.07059	42.3
83.08595	5.5
85.02415	6.6
85.02908	100.0
87.04435	3.8
91.03967	6.4
91.05471	12.4
93.07069	20.9
95.04914	3.8
95.08624	42.1
97.02898	35.1
98.21561	8.4
99.04462	7.0
105.07006	11.0
107.08620	16.7
108.08914	4.1
109.02874	10.8
109.06483	4.8
109.10159	27.0
110.10571	4.2
111.08035	4.6
119.08578	8.4
121.10141	12.9
123.11700	13.8
127.03907	21.1
128.67529	3.4
131.08560	8.6
133.10127	12.2
135.11713	9.4
137.13260	4.2
145.05000	30.0
145.10115	5.4
147.11705	5.9
149.09630	4.7
149.13235	4.3
159.11580	4.9
161.13306	5.9
168.31200	3.7
170.05542	3.9
171.11705	3.8
173.13310	5.7
180.08646	21.7
183.11633	3.6
187.14761	3.9
209.50662	3.6
259.53534	3.8
279.23154	12.7
400.27533	3.7
458.37683	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	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09875	2.5
52.98088	2.4
56.33447	2.2
57.03459	3.2
57.19621	2.2
58.06593	6.8
61.02912	3.0
69.03439	6.0
70.06567	5.4
71.60131	3.7
72.08149	3.3
74.09728	15.4
78.18883	2.6
81.03409	4.5
82.99870	2.6
84.08143	9.5
85.02901	12.3
86.06058	2.5
89.03924	3.6
97.02876	12.3
98.97577	6.5
100.00119	5.9
101.00883	17.6
103.89500	2.1
105.00227	2.1
107.04897	3.0
109.02876	4.6
116.98611	3.6
118.01154	7.4
118.08655	8.6
119.01925	36.3
119.04949	7.9
121.02869	2.9
123.04467	3.8
127.03886	2.9
128.98624	3.8
131.01920	19.0
135.04395	5.6
136.02190	2.3
137.05997	56.9
140.06828	4.0
142.01108	10.0
143.01926	32.3
143.49518	2.5
145.03447	9.3
145.04637	3.0
145.07625	4.4
147.03363	2.4
147.04414	14.8
155.01892	9.8
156.02644	5.5
157.03477	6.1
158.06657	2.9
158.31993	2.8
158.99721	3.1
160.02153	14.6
161.01672	5.1
161.02977	77.7
161.05959	2.8
163.02638	3.7
163.03882	18.9
164.04247	4.3
167.07080	3.8
168.02705	6.3
170.00592	3.5
172.02156	4.1
173.02986	15.0
174.03758	3.0
174.09775	2.6
176.07672	6.8
177.00774	3.3
177.04007	3.6
177.05472	5.0
178.01137	6.7
179.01878	3.7
181.03436	13.7
184.04430	2.4
185.01285	2.4
185.02919	9.0
189.00771	4.1
193.03499	2.9
194.04352	3.3
195.05074	32.0
196.02177	12.0
197.02974	10.2
199.04622	2.6
200.07715	35.9
203.02216	3.9
203.04015	44.2
205.03542	8.0
206.04279	2.8
210.03676	2.9
211.04462	4.6
213.05951	2.8
218.04306	5.7
218.08734	35.5
219.01755	4.9
219.05035	48.4
221.03056	4.3
221.05022	22.4
222.03749	6.7
223.04539	14.8
226.03314	2.9
229.05495	3.2
231.05003	7.5
233.06671	2.7
235.04579	5.0
236.05283	6.4
237.02847	4.3
237.06094	37.3
238.06122	3.3
240.04741	3.4
244.04315	100.0
245.05124	24.3
246.03642	5.4
247.04578	19.0
248.05347	2.5
249.06123	11.7
252.04791	5.5
253.05632	8.9
255.07198	3.3
259.04517	6.2
261.06183	14.5
262.05438	10.2
263.05890	15.1
264.04843	16.1
265.05685	3.7
267.07135	7.0
279.00150	4.4
279.04126	3.0
279.07132	46.5
279.13461	2.8
291.07138	7.1
297.08258	57.2
300.04922	3.4
303.07425	2.7
307.06696	16.2
309.08127	7.0
315.09183	2.9
317.15610	30.7
321.08051	16.9
333.07990	3.5
336.06955	7.0
339.09290	3.5
342.08792	6.7
348.06909	68.2
349.07388	4.6
350.24963	2.5
351.09470	3.7
360.10132	4.2
363.09290	36.0
366.08041	10.5
369.10391	2.9
381.10333	86.1
399.11456	45.0
417.12387	6.3
441.12045	7.7
441.17935	2.8
459.12704	14.4
459.20438	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	459.1838
Annotation	Tyr Asn Tyr
Peak:m/z	Relative Intensity
55.05503	0.4
57.03423	0.4
65.64243	0.5
67.42865	0.4
69.03413	1.1
69.95795	0.3
70.06580	1.7
71.59506	0.5
72.08167	0.9
81.03410	0.7
81.07045	0.6
82.70902	0.4
83.04961	0.4
84.04484	0.5
84.08146	0.8
85.02898	1.8
86.09691	0.7
91.05487	0.6
97.02903	0.5
98.97569	0.7
105.07040	0.6
109.02872	0.7
110.07168	0.9
111.22731	0.4
121.02859	0.6
127.03918	0.6
127.93400	0.4
135.04488	0.5
137.05949	0.5
145.02896	0.8
145.04886	0.5
151.03912	0.5
167.82693	0.4
173.02861	0.4
175.03941	0.4
177.05458	1.1
182.05020	0.9
201.03745	0.7
205.05014	0.5
207.06642	0.6
208.02907	0.8
259.06863	0.4
287.03665	1.7
289.05338	1.3
295.07962	0.5
297.08768	1.5
327.08551	0.8
327.13968	1.1
333.07907	13.5
335.09464	0.6
415.19357	1.3
459.18365	100.0
460.18643	2.0
462.86639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31347	1.6
55.05505	8.3
57.03454	2.4
57.07078	3.6
59.05015	2.9
62.38528	1.5
67.05511	16.8
69.03442	9.4
69.07076	10.8
70.71035	2.1
70.71354	3.0
71.04992	3.7
79.05512	4.0
81.03416	4.8
81.07066	20.2
82.70277	1.4
83.04993	11.9
83.08625	5.2
85.02912	7.4
85.06561	5.1
87.00835	5.2
91.05470	5.1
93.07053	10.2
95.04979	2.9
95.08616	28.1
97.02904	3.3
97.06523	1.9
99.04465	2.3
99.08096	7.3
99.26988	1.6
102.73598	1.7
105.07049	8.2
107.08595	22.9
109.02852	3.8
109.06518	8.2
109.10165	100.0
109.78682	1.5
111.08088	3.0
117.68616	1.8
119.08591	32.4
121.10160	11.1
123.08097	13.0
123.11727	8.5
125.09641	2.8
127.03927	5.3
127.11174	1.7
133.10144	17.9
135.11696	79.8
137.09630	16.6
147.11647	1.7
149.08124	2.0
149.13274	6.2
151.07494	2.5
151.11142	9.4
151.14876	11.3
153.12724	2.4
153.73224	1.6
161.69832	1.7
165.09116	7.3
165.12772	1.7
165.16394	3.5
167.07072	2.0
175.13467	2.7
175.14856	36.7
177.05527	2.3
193.15878	47.1
211.16943	93.1
440.92462	1.7
459.16385	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10719	2.4
53.03936	4.9
55.01870	4.8
55.05511	15.6
56.96558	5.0
57.03444	4.2
57.07055	3.1
65.03901	4.2
67.05501	24.7
69.03426	18.2
69.07065	14.9
70.06590	7.0
70.80852	7.3
71.04983	7.0
72.08153	5.1
73.02923	3.2
79.05494	13.2
81.03420	15.1
81.07059	36.6
81.26181	3.0
83.04976	11.2
83.08625	5.9
84.08160	5.7
85.02898	29.0
85.06539	7.7
86.09685	4.3
87.00825	6.7
91.05460	16.9
93.07050	22.4
95.04958	10.2
95.08612	44.0
97.02888	8.7
97.06537	5.4
97.10186	3.3
98.97581	4.2
99.04462	7.5
99.08086	18.6
102.23795	2.7
104.52467	2.5
105.01833	3.6
105.07020	19.5
107.04991	6.1
107.08592	33.9
109.02862	12.0
109.06499	12.1
109.10155	100.0
111.08065	5.1
116.98650	3.3
118.08628	3.2
119.04935	5.6
119.08578	40.0
121.02880	8.4
121.06493	3.1
121.10124	21.8
123.08057	12.9
123.11707	11.9
125.09610	7.6
127.03907	21.5
131.08560	5.4
133.10143	27.7
135.04388	4.5
135.08109	2.8
135.11691	93.1
136.12003	2.9
137.05930	9.3
137.09615	20.6
145.02948	3.1
145.04929	6.1
145.10124	6.2
147.04378	6.4
147.11679	6.7
149.06001	4.0
149.13239	7.3
151.03889	3.5
151.07524	6.4
151.11163	11.6
151.14803	10.8
153.05481	3.0
153.12782	3.6
155.10681	7.4
159.02951	3.5
163.07599	3.1
165.09114	40.4
165.16418	3.9
167.07066	6.4
170.09772	3.0
171.11473	3.1
175.03830	3.1
175.14822	43.8
177.05467	7.3
181.04926	3.1
193.15875	56.9
207.06548	5.0
211.16936	76.3
219.01877	2.9
459.10556	3.5
459.16602	6.5
459.21658	3.8
459.26709	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	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01862	9.2
55.05257	3.4
55.05516	61.4
57.03434	5.7
67.05162	4.0
67.05505	58.0
67.05862	2.9
69.03424	9.3
69.07072	17.4
69.72110	5.4
69.72527	7.0
71.04973	3.5
71.55354	2.5
76.36923	1.9
79.05495	63.4
81.03403	7.7
81.07061	47.5
83.04988	10.2
83.08620	28.1
85.06534	2.8
91.04948	4.3
91.05483	55.1
93.07054	31.8
95.04984	14.6
95.08610	18.8
97.06537	6.7
97.10175	45.5
98.20827	4.3
103.05463	19.9
105.07036	44.8
107.04962	8.7
107.08595	32.5
109.06528	5.5
109.10149	20.0
111.04478	2.7
111.08096	5.0
115.05445	14.9
116.06261	3.3
117.07024	62.0
119.04910	4.7
119.08591	29.6
121.06518	7.8
121.10147	14.9
123.08073	5.7
123.11685	5.0
125.09631	38.1
127.04025	2.7
128.06201	8.3
129.07005	32.9
131.04948	6.4
131.08571	48.3
133.06480	10.8
133.10129	12.0
135.08034	13.7
135.11687	5.4
137.09651	4.7
137.13235	2.7
141.06960	15.6
142.07730	4.7
143.04987	2.7
143.08582	20.1
145.06483	20.1
145.10130	16.3
146.11285	2.1
147.04463	2.5
147.08099	7.4
147.11646	4.8
149.09674	10.6
153.06953	5.3
153.09085	5.2
155.08571	18.6
157.06508	8.2
157.10139	10.6
159.08054	9.0
159.11699	7.7
161.13333	2.6
163.11174	3.2
165.06914	3.1
165.09169	5.0
167.07120	3.4
167.08577	9.0
168.09438	2.6
169.10156	15.4
171.08046	8.2
171.10304	3.9
171.11604	10.8
173.09650	4.6
173.13234	6.8
175.11165	4.3
181.10167	4.6
183.08168	3.4
183.11681	5.4
185.09631	5.0
185.13269	7.2
187.11078	2.5
187.14816	18.5
189.11230	25.5
189.12747	3.6
191.10712	2.6
193.10136	2.7
193.12303	2.5
195.11719	7.6
197.09715	2.5
197.13268	19.5
199.11307	2.8
199.14731	2.1
201.16393	2.4
209.13315	3.9
211.14894	3.0
213.12775	7.0
215.14330	92.3
221.13290	2.7
223.11275	2.9
225.12750	2.9
227.12727	31.2
229.07458	3.0
231.13918	2.8
233.15396	4.7
235.14659	3.2
239.14549	3.1
241.12312	4.5
245.13661	3.6
253.15965	3.3
271.16962	7.8
273.14856	4.6
287.16431	2.4
333.17273	2.2
339.23163	6.2
349.17264	4.1
349.21457	19.5
367.22696	44.1
385.23727	28.3
403.24796	7.1
423.25479	4.8
441.20764	4.4
441.26422	61.3
459.27417	100.0
460.27832	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01870	7.8
55.05252	1.7
55.05513	29.0
55.45446	1.1
57.03430	6.0
59.04992	1.0
63.41110	1.1
65.03932	2.5
67.05164	2.1
67.05507	36.3
69.03432	6.0
69.07069	11.2
69.39483	8.8
71.04990	3.2
73.94728	1.2
77.81380	1.1
79.05497	39.9
81.02960	1.7
81.03425	26.4
81.07058	33.5
81.68781	1.2
83.05010	5.8
83.08620	19.4
85.02894	1.5
85.06554	1.9
91.05480	32.1
93.07052	22.2
95.04421	1.7
95.04975	17.5
95.08610	19.8
97.02894	1.4
97.06532	5.5
97.09602	1.8
97.10172	20.8
99.08052	1.6
103.05491	1.8
105.07032	25.4
107.04955	20.7
107.08591	22.2
109.02852	1.1
109.06518	6.3
109.10161	14.1
111.04454	1.3
111.08110	5.2
113.05959	1.6
115.05447	3.9
117.07026	10.7
119.04930	2.8
119.08580	16.7
121.06516	12.4
121.10126	7.2
123.04440	2.0
123.08060	5.9
123.11726	3.0
125.06014	1.5
125.09637	15.4
127.03931	1.4
128.06219	2.6
129.07011	15.3
131.04907	7.3
131.08562	14.1
133.06497	9.8
133.10165	7.7
133.16071	1.0
135.04420	1.1
135.08066	7.2
135.11687	4.1
137.05988	2.5
137.09634	3.5
139.07532	1.2
141.06976	3.8
142.07797	1.6
143.08569	7.6
144.05702	2.4
145.06482	32.0
145.10129	10.1
147.04442	4.2
147.08072	9.2
147.11700	9.8
149.09653	5.0
149.13257	2.3
151.07536	2.5
151.11169	1.4
153.09134	5.4
153.12756	2.0
155.08528	6.0
157.06464	5.5
157.10115	8.9
159.08063	6.3
159.11676	4.2
160.07571	2.6
161.05986	4.6
161.09621	4.9
161.13261	1.6
163.11203	3.8
165.09103	11.7
165.12683	2.5
166.07878	1.1
167.07057	2.6
167.08549	3.1
169.06499	2.1
169.10121	5.4
171.08043	5.9
171.10301	1.4
171.11629	5.1
171.99870	1.0
173.06041	1.1
173.09589	2.8
173.11835	1.2
173.13286	2.8
175.11237	6.0
175.14694	1.2
177.05502	1.6
177.09137	1.2
177.12779	1.3
179.08650	1.9
181.10118	3.5
183.08122	2.9
183.11729	3.5
185.09682	5.7
185.13246	2.9
187.11159	3.3
189.09389	1.9
189.11241	8.9
189.12733	2.2
191.10612	1.5
193.12234	19.2
195.08051	1.5
195.11723	4.5
197.09612	2.3
197.13274	4.1
199.11171	4.9
199.14734	1.0
201.12859	1.2
203.14413	1.5
205.12262	3.1
205.15791	1.6
209.13313	2.8
211.11264	2.3
211.14912	1.5
213.12802	3.6
215.14383	3.8
217.10112	1.1
217.12334	2.5
223.11177	3.0
225.12769	3.4
225.16626	1.0
227.14304	4.3
229.15894	1.1
231.13844	1.4
233.15349	6.6
237.12732	3.5
237.16428	1.6
239.14320	1.8
241.14355	1.3
243.13895	2.0
245.15465	2.3
249.14937	2.8
253.15921	2.3
255.13824	6.2
257.15381	1.6
259.13333	2.7
269.15396	2.2
271.17065	2.1
273.14850	19.1
281.15353	2.1
283.16913	1.7
287.16422	3.0
289.17996	1.7
299.16299	2.2
311.16324	1.8
321.22287	2.3
331.20618	2.4
339.23090	8.4
349.21622	19.8
357.24277	4.4
367.22687	50.1
368.23105	1.3
377.24677	1.3
385.23727	40.2
386.24258	1.5
387.22998	1.4
403.24966	9.8
405.24139	4.0
423.25299	3.3
441.26245	8.4
459.27402	100.0
460.27786	5.0
479.02274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01870	1.4
55.05514	6.5
56.96573	0.8
57.03439	1.0
57.07068	1.0
65.03935	0.5
67.05162	0.8
67.05511	12.2
69.03423	1.7
69.07071	4.4
69.45905	1.6
69.46327	1.9
71.04972	1.3
79.05499	6.7
81.02968	0.9
81.03423	11.9
81.07060	10.5
82.01656	0.4
82.45833	0.5
83.04990	2.3
83.08614	3.9
85.02907	1.5
85.06529	1.3
86.83150	0.5
91.05486	7.2
93.07053	5.5
95.04983	4.0
95.08605	8.9
97.02885	1.3
97.06527	1.1
97.10166	2.8
98.97599	0.9
98.99229	0.5
99.04485	0.5
103.05483	0.5
105.07030	6.8
107.04968	2.8
107.08598	6.1
109.02889	0.7
109.06497	2.7
109.10169	8.6
111.04434	0.7
111.08096	1.7
115.05502	0.7
117.07026	2.4
119.05013	0.9
119.08599	8.1
121.02855	0.7
121.06512	1.8
121.10154	3.4
122.07301	2.1
123.04429	0.5
123.08080	1.7
123.11702	2.6
125.09671	2.9
125.10497	0.6
127.03876	0.9
128.06227	0.6
129.06996	3.2
131.04977	1.3
131.08591	3.8
133.06480	1.4
133.10101	2.8
135.08063	1.3
135.11700	2.1
137.05984	1.1
137.09625	11.6
137.13260	1.2
139.07584	0.6
141.06949	0.6
143.08601	2.0
145.06509	3.2
145.10138	2.2
147.04420	1.1
147.08063	1.5
147.11688	2.7
149.06001	0.7
149.09641	2.5
149.13283	1.5
151.07506	0.9
153.09061	1.1
155.08525	1.2
157.06483	0.5
157.10126	2.5
159.08109	0.7
159.11734	1.5
160.07574	0.5
161.06023	0.7
161.09583	1.1
161.13203	1.1
165.09125	100.0
166.09488	1.3
167.07042	2.2
167.08435	0.7
169.10059	1.0
171.08072	0.9
171.11705	1.3
172.27873	0.4
173.09676	1.0
173.13193	1.0
173.39513	0.5
175.11169	2.8
177.05473	1.0
177.09171	0.6
183.13773	0.7
185.13254	0.8
187.14801	0.8
189.11229	1.0
189.12793	0.9
189.16324	0.6
191.10680	0.7
193.12271	5.4
195.07973	1.0
195.11742	1.2
196.87686	0.5
197.13214	0.9
199.11177	0.7
199.77463	0.5
203.10757	0.5
203.17857	0.5
205.12230	3.0
211.11140	0.7
215.14330	1.3
227.14507	0.7
231.13841	0.5
233.15337	0.8
237.12769	1.2
243.13785	0.6
249.14761	0.8
255.13635	1.0
256.26907	0.5
273.14795	1.9
277.24792	0.5
287.19907	0.5
289.25110	0.5
307.26382	1.5
339.23077	1.3
349.21680	2.2
367.22592	5.4
385.23792	5.0
403.24744	1.3
405.24188	0.5
441.26035	0.6
459.27344	14.9
459.32755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3473
Annotation	Nanjiol C
Peak:m/z	Relative Intensity
53.03947	3.1
55.05518	14.7
57.03438	3.2
57.07086	12.0
61.15751	2.2
67.05515	19.1
69.03426	2.7
69.07069	25.1
71.04985	6.8
71.08641	3.2
79.05503	15.5
81.06631	4.3
81.07064	51.7
83.04986	2.9
83.08633	14.8
85.06552	11.3
89.06019	3.9
91.05489	7.3
93.07056	33.6
95.04961	3.8
95.08616	61.6
97.10159	6.7
98.21546	7.4
105.07053	20.5
107.08608	42.1
109.06522	5.9
109.10167	43.1
111.08062	4.3
111.11729	6.8
119.08591	29.8
121.10149	44.4
123.08080	5.0
123.11721	100.0
131.08601	6.6
133.08604	2.5
133.10179	24.0
135.08061	3.3
135.11708	31.2
137.09619	3.5
137.13249	16.3
139.07544	4.3
145.10135	20.0
147.11719	21.5
149.13275	28.2
151.11118	3.8
153.09154	2.6
157.10118	6.8
159.11693	11.8
161.13252	13.5
163.11259	4.3
163.14835	14.3
171.11685	4.8
173.13257	8.8
175.11183	3.2
175.14828	14.5
177.16353	5.5
185.13164	5.3
187.14804	10.0
189.16376	8.5
191.10808	2.7
191.14253	3.4
191.18016	3.2
193.15881	5.8
199.14832	5.9
201.16353	9.3
203.14317	5.6
203.17915	6.8
205.15877	5.4
205.19518	8.0
213.16431	4.5
215.18036	5.4
221.15349	4.5
225.16289	2.5
229.60751	2.6
231.17442	4.3
233.18814	3.2
273.25793	64.4
287.23306	2.6
337.28772	4.9
355.29941	12.5
357.31647	3.0
381.31519	5.2
399.27499	5.3
399.32617	97.0
400.32944	4.6
413.34174	8.8
423.32578	11.2
441.33578	14.1
459.24323	5.5
459.34586	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.347
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	0.9
55.05514	6.9
55.81094	0.9
57.07063	3.7
59.37991	0.9
67.05499	10.3
69.07076	10.1
70.53123	2.2
70.53482	1.5
71.04988	2.6
71.08652	1.0
74.16893	0.9
79.05481	5.9
81.07063	20.0
83.04974	2.4
83.08617	7.2
85.06534	6.5
91.05479	6.1
93.07052	14.3
95.04961	1.9
95.08611	22.3
97.06532	3.3
97.10155	4.9
99.04455	1.7
99.08087	1.1
101.06036	1.8
105.07033	16.9
107.07863	1.1
107.08590	21.8
107.09282	1.6
108.94077	0.9
109.06522	2.1
109.10149	18.5
111.08058	2.2
111.11695	1.0
115.07584	1.1
117.07017	2.4
119.08589	18.5
121.06515	2.2
121.10146	18.7
123.08068	2.9
123.11705	8.2
125.06073	1.1
125.09660	2.1
129.07011	1.5
131.08554	6.9
133.10135	20.1
133.11067	1.6
135.08047	2.0
135.11711	9.2
137.06049	1.0
137.09610	1.6
137.13277	3.7
139.07600	1.5
142.07793	0.9
143.08600	4.4
145.10135	10.3
147.08047	3.6
147.11691	15.9
149.09637	2.7
149.13255	10.7
151.11183	3.4
151.14786	1.1
153.09097	1.3
157.10133	4.1
159.08051	1.0
159.11685	10.2
161.09634	3.1
161.13254	8.2
163.11188	2.6
163.14868	2.6
165.12744	2.1
167.10680	2.0
167.14320	1.2
169.10196	2.1
171.11685	4.8
173.13257	7.4
175.11211	3.7
175.14825	8.6
175.36607	1.2
177.12727	4.8
177.16368	1.8
181.12117	2.3
183.11711	3.3
185.13260	4.6
187.14845	5.9
189.12779	2.4
189.16405	7.8
191.14302	3.2
191.17892	1.8
193.12186	1.4
193.15932	2.1
195.13869	1.5
197.13261	3.1
199.14838	3.9
201.12727	1.6
201.16487	4.6
203.14323	7.2
203.18031	4.4
205.15959	3.7
211.14853	2.4
213.16423	2.4
215.14268	2.0
215.17900	1.6
217.16011	1.8
219.13849	2.1
219.17461	2.5
221.18996	1.4
223.14752	1.2
227.17934	2.0
229.15930	1.4
229.19534	1.9
231.17484	1.9
234.53185	1.1
235.16953	1.2
241.19676	1.4
243.17766	1.6
253.16049	1.0
253.19589	2.7
255.21179	2.0
259.20590	1.9
267.21100	2.9
269.18985	1.9
271.20612	3.3
281.22870	1.3
283.20798	1.0
285.21979	1.1
299.23761	1.5
323.55478	1.0
353.24802	2.6
381.27826	1.8
395.33234	2.5
405.31525	6.2
405.36279	1.0
413.34412	1.1
423.32507	19.9
423.37714	1.4
424.33292	1.1
441.33606	42.8
442.34143	1.7
459.34766	100.0
460.35144	2.4
460.41150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.2
55.01655	0.9
55.01876	10.5
56.95287	0.8
57.03439	5.7
59.78536	0.8
60.04515	2.2
61.02920	4.7
65.03940	0.8
68.99788	2.8
69.03435	29.4
69.47720	1.6
69.48131	4.4
71.04990	4.4
73.02927	7.8
79.05469	1.3
80.05036	1.0
81.03420	31.1
81.07055	0.8
82.29320	0.7
83.01319	1.2
84.04541	0.9
85.02910	77.2
87.00835	31.9
87.04457	1.2
90.51298	0.6
91.03937	2.3
91.05485	1.2
93.07053	0.8
97.02901	30.2
98.06065	0.9
98.21459	1.5
99.04459	14.7
103.05466	5.9
105.01165	1.6
105.01875	29.6
105.07021	2.9
107.04951	7.0
108.04482	10.4
109.02892	33.8
109.10154	0.9
111.04413	0.8
115.05424	1.0
117.01839	4.6
120.05714	0.8
125.53820	0.7
126.05536	4.2
127.03925	56.6
129.01865	3.9
129.16121	0.7
131.04907	1.7
135.08035	7.6
139.03885	4.6
144.06577	0.9
145.04965	26.7
147.02853	2.3
154.06258	30.9
159.02890	21.1
163.07553	29.7
165.09148	1.7
167.06992	1.8
177.03938	1.0
180.07881	1.3
189.04007	0.8
193.08597	1.5
195.10178	100.0
196.10568	1.7
213.03995	3.6
230.06662	3.2
231.05013	13.3
248.07614	5.9
249.06065	2.0
266.08664	1.4
303.12189	1.5
374.86624	0.7
427.82620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.8
55.05518	26.0
56.47145	8.9
57.07068	16.6
61.88961	10.5
67.05497	51.2
69.07069	58.9
71.04986	18.2
71.60019	10.0
71.60434	11.3
75.60863	8.9
78.09610	9.5
79.05489	36.2
81.07058	98.8
83.08646	14.0
86.60629	9.4
87.66414	12.3
91.05489	55.9
93.07056	67.9
95.08609	100.0
97.06511	16.1
97.10150	15.3
105.07024	39.4
107.08611	70.7
109.10153	66.8
119.08640	55.0
121.10143	46.9
123.11754	19.0
124.07614	20.6
133.10146	31.3
135.11720	64.9
136.07581	39.4
145.10207	11.8
147.11682	28.4
149.13287	20.6
161.13307	22.1
191.17947	25.4
217.93713	10.7
222.14833	35.7
249.06004	10.2
281.11856	12.9
303.54935	11.9
337.79358	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	461.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39116	0.9
56.96556	1.5
57.03429	1.7
61.02929	1.3
67.05487	1.5
69.03415	3.9
70.06569	2.9
71.05005	1.4
71.59325	1.8
72.08154	8.1
73.02895	3.2
79.05483	1.0
81.03394	2.2
81.07046	1.3
84.04494	2.9
84.08125	3.4
85.02898	6.6
86.09711	6.5
91.05482	2.1
91.99664	0.9
95.04957	1.5
95.08588	1.1
97.02878	4.2
98.97565	3.1
103.46145	0.9
104.04938	1.9
105.03383	1.0
107.04994	4.4
109.02917	0.9
110.07156	1.4
115.03896	1.7
117.03345	2.8
119.04953	1.1
119.08627	0.9
120.08009	1.0
121.02831	3.0
121.03983	1.3
127.03887	2.7
128.98587	0.9
132.04456	100.0
133.04817	1.0
135.04428	1.5
137.02318	1.2
137.05957	2.8
145.02820	3.8
145.04939	1.2
146.06026	1.9
147.04395	1.8
149.05995	1.1
150.05510	35.2
151.03908	3.1
153.05418	1.2
163.03865	3.4
164.04414	1.2
167.07001	2.4
177.05472	7.1
194.88673	0.9
197.12978	1.0
213.07506	1.8
229.11835	1.3
237.02815	1.3
237.12169	1.1
247.12859	2.0
291.62192	1.0
299.14124	1.1
310.04614	1.9
312.10822	1.5
323.05453	2.1
329.11996	3.1
341.06409	1.2
353.06458	1.8
360.39282	1.2
371.07758	1.4
393.37918	1.0
395.07477	1.8
407.07483	1.1
425.08359	1.9
444.15311	2.2
461.16132	33.9
476.88092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.0
56.96563	7.6
57.07074	17.7
66.19444	7.8
67.05506	34.4
69.07070	32.0
69.94178	34.2
71.05058	8.8
71.15139	7.8
78.50681	9.5
79.05502	23.5
81.07074	65.6
83.04983	10.8
83.08605	17.4
85.06511	8.9
91.05498	25.4
93.07050	30.4
95.08642	48.3
105.07047	28.1
107.08591	34.3
107.86201	8.4
109.10166	24.0
111.11729	8.9
119.08631	19.7
121.10157	23.1
123.11715	15.1
132.34126	8.1
133.10124	15.6
135.11670	18.3
136.93089	14.9
137.13232	13.7
140.83878	8.0
145.10092	16.1
147.11714	14.6
149.09682	10.2
149.13255	12.7
150.95599	80.3
151.07582	8.6
154.94154	10.8
157.10175	10.8
159.11682	19.9
161.13313	14.1
168.95790	16.6
172.95320	11.2
173.13208	10.6
179.18073	8.0
186.96834	100.0
187.14856	9.8
193.06686	9.1
204.97859	38.0
220.57845	9.0
224.98523	10.8
242.99472	19.7
311.25793	11.3
376.23315	8.4
401.33475	11.0
425.34210	12.9
447.18381	24.1
461.20972	39.9
461.30914	69.1
482.97449	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.0
57.67371	2.8
61.83529	3.2
67.05498	5.9
69.03435	3.5
69.07047	9.7
69.51999	25.2
71.04985	4.2
73.41547	3.2
75.54635	3.0
77.42708	3.1
78.15181	2.9
79.05491	7.8
81.03435	5.2
81.07076	17.2
83.08609	8.8
84.08144	3.8
84.62768	3.2
85.02905	12.6
87.00851	4.7
89.38681	3.2
91.05462	4.5
93.07051	15.4
93.07560	3.2
95.08607	24.9
95.73302	3.4
97.02914	8.0
99.08097	20.1
105.01822	5.6
105.07034	4.9
107.08615	33.1
109.02867	5.4
109.10111	6.4
109.45599	2.9
111.08080	4.9
119.08549	4.9
119.31194	3.2
121.10143	49.9
125.09620	5.0
127.03849	3.9
129.22562	3.5
135.11684	10.8
137.13235	5.1
145.02658	3.1
149.13310	5.9
177.16400	100.0
195.17458	20.6
213.18539	32.7
397.96921	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.05515	41.5
55.40694	7.0
57.03426	25.3
58.95540	7.1
65.03937	6.0
67.05507	94.7
69.03416	7.6
69.07073	34.2
69.30003	64.1
71.04987	7.1
79.05501	87.2
79.59213	6.7
81.03391	15.8
81.07054	96.7
83.05000	11.8
83.08611	31.5
90.13628	7.1
91.05480	100.0
93.07059	84.5
95.04969	31.5
95.08607	53.7
97.06515	19.6
97.10141	10.4
99.04471	7.4
99.08133	7.7
105.07032	83.5
107.04928	12.7
107.08602	44.8
109.06529	7.9
109.10137	25.6
111.08057	19.2
115.05476	13.3
117.07019	49.0
119.08599	52.6
121.06521	15.5
121.10144	36.2
123.08105	10.5
125.09627	13.4
128.06187	17.2
129.07008	45.4
131.08557	66.0
133.06487	16.9
133.10172	38.9
135.08044	18.0
135.11734	19.3
141.06964	18.7
142.07823	12.0
143.08551	52.8
145.06491	15.7
145.10101	42.8
147.08029	12.6
147.11755	14.9
149.09676	10.5
149.13243	9.3
155.08563	29.1
157.10121	22.6
159.07990	10.8
159.11694	22.6
163.11205	8.4
167.08546	12.2
168.09387	7.7
169.10115	27.3
171.11685	15.0
173.13268	15.0
175.11230	13.9
181.10110	19.2
183.11705	12.3
185.13278	11.2
187.14836	11.0
190.69751	8.2
193.10010	10.2
195.11778	11.1
195.13705	6.9
197.13333	14.9
199.14861	10.9
209.13345	10.8
215.14320	11.2
221.13214	10.5
225.12767	7.9
239.14302	13.4
257.15454	8.7
333.22375	13.5
341.24710	14.4
351.23044	37.9
369.19739	14.1
369.23947	45.5
387.25150	10.3
415.27997	7.1
443.27823	75.4
461.28848	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95519	1.4
53.03939	3.4
55.01862	3.5
55.05509	8.7
56.96561	1.7
57.03425	1.6
57.07064	3.1
57.29640	1.4
59.04995	1.9
61.02920	1.9
61.32427	1.4
63.44617	1.3
67.05507	20.6
69.03424	5.1
69.07076	11.4
69.73886	1.7
70.06573	2.1
71.04991	2.6
71.60743	1.8
79.05498	11.8
81.03405	4.9
81.07064	28.1
83.01331	3.6
83.04967	5.1
83.08618	6.5
85.02904	4.3
85.06536	3.5
89.57854	1.4
91.05482	12.1
93.07060	15.6
95.04975	6.2
95.08041	2.3
95.08614	28.5
97.02872	2.2
97.06529	4.0
97.10176	2.6
98.97604	3.7
99.04456	2.2
99.08069	1.6
100.11264	2.0
103.05462	2.2
105.07024	12.7
107.04957	4.2
107.08578	12.3
109.02888	2.4
109.06500	4.7
109.10170	15.6
111.04443	9.5
111.08067	2.8
117.07056	3.9
119.04977	2.1
119.08588	9.6
121.02864	2.9
121.06502	5.1
121.10165	7.3
122.07252	2.1
123.08099	11.7
123.11701	4.5
125.06028	3.0
125.09628	2.5
129.05455	1.8
129.07024	3.0
131.04942	1.5
131.08640	7.2
133.06520	1.9
133.10133	6.3
135.08063	12.6
135.11707	3.5
137.05945	4.9
137.09610	13.6
137.13283	2.1
139.07613	1.7
141.06946	1.6
143.08592	3.0
145.10120	6.5
147.04428	3.4
147.11685	3.2
149.09642	9.2
149.13214	3.0
151.03883	5.4
151.07558	85.3
152.05759	1.6
157.06540	1.8
157.10091	2.7
158.07248	2.7
159.08052	6.1
159.11678	6.3
161.05957	2.3
161.09546	1.8
162.06801	3.0
162.95607	1.4
163.07590	3.1
163.11171	9.3
165.09132	100.0
167.07066	6.3
169.10156	1.8
173.09628	7.1
175.07597	3.0
175.11156	3.2
176.08310	10.0
177.05559	1.6
177.09128	53.8
177.12663	1.5
179.10791	2.0
181.04938	1.6
185.13263	1.6
187.11153	5.6
189.12694	1.8
189.16402	1.6
190.09892	4.6
191.10687	96.3
192.11111	2.4
193.30873	1.5
205.12254	66.0
217.12231	1.9
219.13780	4.9
237.12819	1.6
267.08960	2.0
285.10034	2.4
341.24527	1.8
346.14661	1.9
369.24283	1.9
415.32098	5.8
425.31271	2.2
440.39328	2.2
461.27191	2.7
461.32651	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01884	3.9
55.05291	3.2
55.05516	32.8
57.06814	4.5
57.07080	74.9
67.05506	30.6
69.07072	58.2
70.87560	5.6
70.87887	4.2
71.04987	8.9
71.08278	3.6
71.08639	51.2
79.05492	15.4
81.07063	100.0
83.04987	8.1
83.08620	38.6
85.10180	24.6
91.05495	11.3
93.07059	19.3
95.08617	64.4
97.10169	28.7
99.04478	14.7
105.07030	13.2
107.08606	17.9
109.06545	22.9
109.10166	36.0
111.04476	8.5
111.08073	4.7
111.11745	20.9
117.07059	7.3
119.04948	3.2
119.08571	15.8
121.10150	13.3
123.08068	7.1
123.11726	22.0
125.06002	12.2
125.13279	5.9
127.03902	22.8
131.08600	15.4
133.06529	6.0
133.10156	5.5
135.08119	8.4
135.11708	7.5
137.05992	95.5
137.09598	3.9
137.13229	7.8
139.11150	3.0
143.08569	4.1
144.09309	5.7
145.10138	19.3
147.11664	4.3
149.05986	4.3
149.09645	9.4
149.13239	6.6
151.07553	25.8
151.14822	7.7
155.08575	4.4
157.10114	6.0
158.07245	4.6
159.08044	4.8
159.11676	40.6
161.09593	6.9
161.13313	3.6
163.07562	5.7
163.11224	6.0
163.14908	3.7
165.09105	8.7
165.16464	4.8
167.07074	7.3
168.61638	2.9
169.10106	9.5
171.08031	3.4
171.11656	7.6
172.08836	9.2
173.09630	76.6
173.13248	7.2
175.11186	13.6
177.09140	19.5
177.12813	3.9
179.07051	5.2
183.11734	6.2
187.11195	64.3
190.09961	4.0
191.10719	14.3
193.08549	9.8
201.12772	5.7
203.10719	5.8
205.12219	28.4
215.10693	9.2
215.14395	4.6
219.13858	10.3
229.12277	8.3
229.15831	7.2
241.13626	3.4
257.18802	3.2
260.33499	3.4
277.29001	11.2
317.31958	3.6
335.33105	6.5
383.33081	72.9
384.33212	3.4
397.34729	29.1
401.34192	47.0
419.35104	5.0
425.34232	19.6
443.35388	27.0
461.28897	3.3
461.35800	5.4
489.50214	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	461.3628
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03937	4.4
55.05511	21.8
57.06861	3.1
57.07084	36.2
67.05511	17.9
69.07075	54.4
71.08306	3.3
71.08636	31.0
71.45876	5.1
72.58354	3.0
79.05485	20.2
81.03420	6.4
81.07063	54.4
83.08622	25.5
85.10183	18.3
91.05488	19.3
93.07063	29.6
95.04971	6.2
95.08613	48.3
97.10197	23.7
99.11753	3.6
99.36028	3.3
103.74120	2.9
105.07049	35.5
107.04295	3.2
107.04968	43.2
107.08611	29.6
108.19258	2.9
109.02869	9.9
109.06525	9.6
109.10158	28.1
110.93700	3.1
111.08109	2.9
111.11725	16.0
115.94073	3.4
117.07011	11.1
119.08584	28.3
121.06512	7.5
121.10168	23.6
123.08030	7.2
123.11701	14.5
125.05975	3.4
128.06244	3.9
129.07001	7.7
131.08600	25.2
133.06491	9.4
133.10135	31.3
135.08052	5.1
135.11707	17.3
137.05927	7.3
137.13280	9.4
141.07014	3.6
143.08595	22.3
145.06499	4.9
145.10127	22.2
147.08049	14.6
147.11716	17.5
149.09637	5.2
149.13284	9.6
151.07535	7.1
155.08546	8.5
157.10114	15.4
159.11757	18.8
161.09621	11.6
161.13251	13.8
163.14859	6.2
169.08606	9.0
169.10005	5.9
171.08057	11.3
171.11697	10.7
173.09608	6.2
173.13248	11.7
174.42821	3.0
175.14824	6.5
177.16316	5.0
179.10704	4.0
183.11713	5.5
185.09592	4.0
185.13278	9.4
185.88919	3.0
187.14873	8.1
189.09155	15.7
189.12822	4.5
189.16463	3.3
197.13271	4.9
199.14856	7.3
201.16460	5.6
203.10619	3.6
203.14326	3.9
205.12204	3.5
207.10172	5.4
211.14778	6.5
217.12262	6.2
225.12791	3.4
225.16386	7.9
227.17865	5.9
231.13860	6.1
239.14296	3.7
239.18086	3.5
243.13879	5.3
245.15356	4.2
247.13319	5.8
253.15833	5.0
257.15494	4.9
267.17484	4.4
267.20944	3.8
271.17056	4.3
279.88446	3.4
285.18594	15.8
301.28864	11.1
313.21585	5.8
325.28949	7.2
341.24902	4.1
343.30017	18.5
359.73117	3.1
365.31931	4.0
383.32999	8.4
385.30978	5.7
397.34692	10.2
398.05893	3.7
401.34387	15.8
401.49722	3.5
403.31992	9.4
407.33240	12.3
415.35837	3.3
425.34241	66.2
430.61859	3.1
443.35223	100.0
461.23029	7.0
461.30765	4.1
461.36356	27.8
480.03766	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	461.3627
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03940	4.2
55.01884	4.4
55.05521	42.3
57.07081	55.2
67.05219	3.7
67.05519	33.9
69.07069	63.1
71.08646	36.5
71.19897	5.0
71.60576	4.8
79.05499	16.9
81.07064	100.0
83.01360	14.7
83.08617	47.0
85.10189	19.2
91.05491	22.1
93.07050	27.3
95.04987	7.9
95.08612	95.3
97.10168	39.4
99.04472	5.9
105.07047	16.8
107.08594	15.3
109.06519	25.3
109.10156	58.2
111.11745	19.5
113.40464	4.3
119.08621	20.5
121.06497	14.8
121.10155	20.4
123.08076	25.2
123.11730	33.3
125.05988	10.0
125.13272	7.8
127.07599	6.4
131.08568	28.1
133.10121	12.0
135.08022	9.6
135.11693	8.3
137.05981	34.7
137.13243	17.8
139.07574	13.6
143.08472	6.8
145.10152	19.8
147.08199	4.8
147.11743	8.8
149.05984	11.4
149.09615	7.9
149.13251	7.2
151.07552	67.3
151.14836	9.5
153.22157	5.2
157.10146	13.2
159.08089	12.6
159.11749	9.8
161.09573	6.7
161.13292	4.3
163.07535	13.3
165.09131	23.3
167.07062	4.7
169.02580	9.1
169.08730	4.6
169.10136	5.3
173.09604	10.5
173.13313	9.3
175.07562	5.8
175.11174	6.3
177.09100	34.8
179.10718	10.6
179.18025	4.7
187.11217	11.0
187.14812	5.3
189.09058	4.9
191.10687	22.7
193.08606	18.5
193.12262	7.8
201.09019	5.2
201.12730	7.6
201.22878	4.8
205.12265	18.0
207.13742	5.1
215.14281	6.5
218.27985	4.5
219.13838	9.7
233.15567	8.1
243.13890	5.2
247.17056	7.5
257.18851	4.0
261.14932	7.3
261.18500	10.7
263.27325	28.3
275.20038	5.7
289.18170	6.7
299.27539	5.4
311.29471	6.4
315.26935	5.2
320.95389	4.4
371.29718	6.2
383.33054	12.6
397.34598	11.8
401.34134	43.4
415.35712	19.1
425.34317	26.7
443.35107	74.4
461.36148	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	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
57.03417	1.3
60.67065	0.4
61.02933	0.4
65.03940	0.8
69.03420	1.3
69.51820	3.3
70.06591	1.5
73.02904	1.7
77.03925	0.5
79.05525	0.5
81.03416	1.0
81.07082	0.4
85.02903	1.8
89.03940	0.5
91.05487	17.0
97.02898	1.2
99.04469	0.4
103.05473	0.7
107.04933	1.0
109.02859	0.8
115.03952	1.2
119.04950	24.0
121.02769	0.6
127.03943	1.1
132.02119	1.0
134.17747	0.5
136.05180	0.5
141.28224	0.4
145.02806	0.7
145.04904	0.6
145.64841	0.4
147.04413	20.4
149.02344	0.8
149.05948	0.6
151.07550	2.5
157.03970	2.1
161.05917	0.5
164.04681	1.0
175.03918	37.9
176.04407	0.4
177.05598	0.5
179.07074	2.1
192.04207	0.7
207.06538	100.0
208.06903	1.3
209.02652	0.7
225.07492	1.1
270.05316	0.5
283.06149	0.7
283.11810	0.8
283.36600	0.5
298.04678	0.7
300.06396	0.4
311.05530	0.6
313.07101	4.3
314.07761	0.5
324.58405	0.4
325.07184	0.5
327.08749	0.6
328.05716	1.4
338.07819	0.7
343.08105	3.9
367.08093	1.6
369.11832	2.1
397.09229	1.1
409.08871	0.6
427.10477	2.1
445.11511	2.6
463.12448	3.5
471.47842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.5
55.22143	2.0
55.38632	2.1
57.07080	5.5
58.38288	2.2
67.05503	22.6
69.07075	24.4
71.05005	13.7
71.32937	3.6
71.33275	2.2
79.05492	11.0
81.07059	49.5
83.08633	16.5
85.06544	14.3
91.05491	8.2
93.07062	29.0
94.63715	2.1
95.08613	88.8
97.06525	5.6
97.10178	7.0
99.04485	4.3
105.07029	23.3
107.08601	43.4
109.06534	4.9
109.10163	50.3
111.08087	6.0
113.09630	15.0
115.07551	2.6
119.08579	30.6
121.10153	36.6
123.11726	24.9
131.08588	4.3
132.04797	3.4
133.10130	37.8
135.08054	3.2
135.11717	20.8
136.59933	2.4
137.09636	5.6
137.13239	10.8
139.11223	3.0
145.10121	10.5
146.30922	2.5
147.11682	28.1
149.09677	3.8
149.13275	25.0
151.11150	4.5
151.14836	2.8
159.11723	12.9
161.13290	17.1
163.11227	4.2
163.14835	16.4
167.10677	3.6
171.11673	3.4
173.13379	5.4
175.14832	22.3
177.12825	2.9
177.16461	11.0
181.12199	3.2
187.14867	13.1
189.16402	20.9
191.17926	9.6
193.15909	6.0
195.13826	5.4
201.16409	9.6
203.14290	2.2
203.17924	11.7
205.15929	3.8
205.19682	2.9
207.17433	13.7
215.17920	6.0
217.19470	8.9
219.17476	6.8
221.19011	8.4
223.16933	5.6
227.17966	2.7
229.19611	3.5
237.18576	4.7
263.20117	2.4
263.23608	3.2
271.24277	4.7
289.25113	2.8
385.35150	2.7
391.33725	5.8
409.34738	48.4
427.35739	93.4
428.35977	3.8
445.36798	100.0
446.37128	2.9
462.26489	6.2
462.39551	16.8
463.37878	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
55.01851	1.0
57.03413	1.0
58.16850	0.4
60.71989	0.4
67.05495	0.4
68.99783	0.4
69.03399	0.6
69.19736	0.3
69.22443	4.0
70.06587	0.4
72.08067	0.3
78.38941	0.3
79.05476	0.5
81.03372	1.2
81.07031	0.7
84.04482	0.4
85.02910	2.3
85.06548	0.4
91.05450	1.0
93.07005	0.4
95.04937	0.6
95.08594	0.4
96.51501	0.3
97.02856	0.8
102.77446	0.3
103.03919	0.6
105.03381	0.4
109.02898	2.0
111.03347	0.3
121.02837	1.4
123.00768	0.5
127.03873	0.5
132.75331	0.3
134.03564	0.6
135.04471	0.5
137.02341	0.6
138.05438	0.5
141.01807	1.2
145.02805	0.7
147.04269	0.4
149.02319	0.8
149.05994	2.6
151.02736	0.4
151.03918	5.7
151.05070	0.8
163.03874	0.5
165.00502	0.7
165.01843	11.0
167.03447	2.3
168.03680	0.3
175.03918	1.7
177.01804	1.0
177.05438	0.8
183.02890	2.5
187.03902	1.2
189.01820	0.5
191.03424	0.9
193.04936	0.4
195.02884	1.6
203.03351	0.6
205.04935	0.6
215.03409	0.7
215.06902	0.5
217.04900	0.4
229.04964	0.8
233.04507	0.5
243.02826	1.0
243.06538	0.9
246.65070	0.4
254.05711	0.9
258.05307	0.8
259.06076	0.6
261.04065	0.8
268.07196	1.0
269.08194	0.5
270.05237	3.2
271.06027	3.0
272.06818	0.6
282.05228	6.3
284.06821	0.6
286.04788	1.7
286.08005	0.5
292.07376	0.7
295.06189	0.5
296.06799	9.2
296.80777	0.4
297.07605	3.7
298.04730	19.8
299.05396	1.6
300.06311	7.6
301.07080	5.2
308.06726	1.5
309.07578	1.1
310.04688	4.3
310.08392	4.6
311.09128	5.3
312.03168	0.5
312.06378	1.6
313.07056	100.0
314.07684	6.3
320.06671	1.9
321.07376	0.5
323.05551	0.5
324.02509	0.7
324.06293	10.9
325.07040	6.6
325.10754	2.0
326.07507	0.6
327.05261	0.6
327.08624	2.6
328.05765	15.9
329.06247	0.7
335.09079	1.1
336.06281	2.4
337.06842	2.0
338.04367	0.2
338.07828	7.2
339.05008	1.3
339.08633	14.1
341.06500	0.9
343.08133	72.5
344.08301	1.7
348.06320	2.6
351.08600	2.0
352.05634	0.9
353.06012	0.8
353.10214	12.3
355.08154	0.7
363.08539	2.8
364.05688	2.6
366.07309	1.5
367.08130	41.2
368.08463	1.0
376.05701	2.3
379.08121	11.4
381.09668	3.3
391.08112	9.4
394.06879	2.3
397.09189	22.1
398.09552	0.5
409.09192	21.8
410.09540	0.5
427.10263	23.2
428.10852	0.7
445.11301	12.4
463.12393	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	463.1237
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
63.78405	0.1
66.86462	0.1
67.05487	0.2
70.70383	0.2
70.70714	0.1
81.03432	0.1
81.07059	0.2
84.04506	0.2
85.02890	0.1
91.05496	0.2
93.07037	0.1
93.20469	0.1
109.10196	0.1
121.02873	0.1
121.06490	0.1
122.02728	0.3
144.49156	0.1
148.96422	0.1
153.01859	0.5
159.11835	0.1
195.13876	0.2
229.04904	0.4
257.04492	0.2
258.05243	15.5
258.34964	0.1
258.43762	0.1
259.05731	0.3
286.04718	35.4
287.05066	0.7
301.07062	100.0
302.07397	2.2
316.15759	0.1
337.78989	0.1
463.12134	0.6
463.20844	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	463.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12187	0.4
54.61708	0.4
57.03424	0.5
57.59490	0.4
67.09890	0.3
69.03418	1.1
69.39849	1.8
69.40275	1.0
81.03466	0.4
85.02906	2.6
86.74387	0.3
97.02915	0.9
109.02887	0.4
125.17047	0.4
145.04997	0.5
151.03900	0.5
153.01878	0.6
153.43579	0.4
207.06541	0.8
208.06911	0.6
257.04388	0.4
258.05255	16.5
283.06006	0.6
286.04727	32.9
287.05063	0.9
298.04755	0.8
301.07083	100.0
302.07483	2.4
313.07114	3.1
314.07773	0.6
325.06699	0.4
327.08411	0.5
328.05814	1.1
343.08133	4.1
353.10101	0.5
367.08029	1.1
397.09204	0.9
406.51950	0.3
409.09540	0.8
427.10226	1.5
445.11404	1.8
463.12262	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	463.1239
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
54.02395	0.2
55.05485	0.3
57.03435	0.2
67.05489	0.7
69.03416	0.6
69.07040	0.5
69.53792	1.5
70.06599	0.2
71.04985	0.4
73.02862	0.2
79.05477	0.4
81.03383	0.3
81.07062	1.1
83.04961	0.3
83.08612	0.2
85.02900	0.5
91.05458	0.7
93.07036	0.6
95.04931	0.3
95.08599	0.7
97.02919	0.3
97.06523	0.3
98.97565	0.4
105.07027	0.5
107.04942	0.3
107.08620	0.4
109.02850	0.4
109.10161	0.5
111.04456	0.3
119.08585	0.5
121.10110	0.3
123.08096	0.2
123.11662	0.2
127.03848	0.2
131.08560	0.3
133.06548	0.2
133.10094	0.5
135.11746	0.3
137.02391	0.2
137.05894	0.2
145.10101	0.4
147.04463	0.2
149.13232	0.3
151.03841	0.4
151.07562	0.3
153.01810	0.6
153.05646	0.2
154.02655	0.4
163.03909	0.3
178.02643	0.5
181.04999	0.2
207.06519	0.3
214.06020	0.2
242.05754	2.1
243.06398	0.2
255.02934	0.4
258.05194	2.0
269.04489	0.2
270.05249	8.1
273.03909	1.3
286.04797	2.0
287.05487	3.7
298.05197	0.4
299.05460	0.8
301.03409	1.7
301.07080	1.6
302.04248	2.1
310.04800	0.2
313.03394	0.9
313.07138	1.3
315.04999	32.8
316.05725	4.3
325.07306	0.2
328.05753	0.3
331.08136	100.0
332.08508	2.2
343.08109	1.7
367.08231	0.4
397.09100	0.4
427.10202	0.6
445.11407	0.8
463.12259	1.4
463.18439	5.2
463.32590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
50.27751	1.1
50.29177	1.1
54.62860	1.1
70.70451	2.8
79.01849	1.6
79.47328	1.2
81.30699	1.1
85.02908	1.9
93.07023	1.6
105.40748	1.1
119.48994	1.2
125.68330	1.2
129.89497	1.1
137.02321	6.2
147.04568	1.4
151.03914	12.5
165.01884	5.1
175.03976	2.3
177.01881	3.4
183.02968	1.6
192.04106	1.8
217.05011	4.7
238.04449	1.3
241.08730	1.9
243.02953	2.1
243.06650	6.5
259.05978	2.6
261.04019	2.7
270.05362	2.7
271.06207	2.7
272.06833	4.8
282.05048	1.3
283.06085	1.6
285.07623	3.0
286.04764	2.0
286.08353	3.0
296.06744	2.0
298.04758	16.8
299.05585	3.6
300.06357	7.6
301.06952	2.5
302.09253	2.2
309.08002	1.5
310.04745	4.3
310.08359	3.4
311.05548	9.1
311.08749	2.1
312.06277	11.6
313.07065	75.2
314.07782	19.5
324.06342	4.3
325.07065	11.7
325.10651	2.0
327.08609	12.8
328.05814	20.6
338.04294	2.2
338.07788	8.1
339.08765	2.9
341.06812	2.3
343.08124	100.0
344.08386	4.2
352.05881	2.6
353.06476	2.0
353.10306	14.6
355.08267	2.9
367.08133	22.6
373.09079	7.2
379.08072	3.2
381.09631	6.6
385.09183	2.1
397.09149	20.1
409.09079	11.2
427.10284	35.9
445.11307	52.6
446.11478	1.3
463.12402	77.0
464.12756	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01867	0.9
55.05510	3.4
56.05026	1.0
57.03432	1.3
57.07082	0.6
58.99591	4.1
63.61709	0.5
67.05508	15.0
69.03416	1.7
69.07079	3.5
70.06602	0.9
70.47564	1.2
70.47961	1.3
71.04974	2.2
73.01132	0.6
76.01888	0.7
76.02236	8.3
79.05491	7.5
81.03416	1.8
81.07061	19.6
83.04981	2.7
83.08612	3.8
84.04505	17.6
84.05011	0.9
84.08150	0.8
85.01125	0.6
85.02903	1.9
85.06539	1.2
86.00656	5.0
86.09713	1.2
86.99052	2.7
87.02695	1.8
88.03987	1.7
91.05487	6.9
93.07051	15.6
94.06561	0.6
95.04964	2.5
95.08607	6.6
97.01115	6.0
97.02857	0.7
97.06528	4.4
98.20712	0.5
99.04469	0.8
99.08099	1.1
103.05456	0.7
105.00091	3.3
105.07041	3.6
107.04970	0.8
107.08601	8.8
109.02821	1.4
109.06530	1.4
109.10169	2.3
111.02654	2.1
111.08096	2.9
113.04291	0.5
113.28478	0.6
117.07004	3.4
119.08558	1.5
121.06480	1.0
121.10135	4.6
122.02732	40.3
123.02674	0.6
123.08063	0.7
123.11729	1.1
125.09650	0.7
127.03925	1.4
130.05020	3.7
131.08583	4.0
132.01163	6.3
133.10133	6.0
135.08057	1.2
135.11719	5.3
137.05962	1.3
139.11122	0.6
139.52640	0.6
142.03226	4.3
143.54778	0.5
145.10095	1.3
147.04398	0.7
147.07961	0.7
147.11662	1.4
149.09647	1.1
149.13269	9.9
151.03830	0.8
151.11165	1.6
153.01877	0.8
157.10173	0.7
159.11716	8.5
161.05931	0.8
161.13394	0.6
163.11177	1.1
165.07333	1.7
167.14236	1.0
169.10059	0.6
172.08745	0.7
177.05595	0.8
177.12743	5.5
181.04980	0.7
183.08435	1.8
187.07475	3.3
187.08873	0.6
188.03723	4.3
191.08801	1.0
195.13812	12.7
199.07410	2.5
201.09395	0.6
207.06470	0.8
209.09935	1.3
213.14857	5.5
216.07698	0.7
216.10059	1.4
226.12592	1.2
227.11006	2.0
234.04340	1.6
235.11426	0.8
243.06750	0.7
243.08813	5.1
244.09575	31.0
245.10226	0.9
250.89709	0.6
251.06848	2.9
252.14169	1.7
253.12685	1.5
258.05267	16.9
270.15259	4.8
271.13586	1.2
272.13126	0.7
273.11548	1.0
283.15436	0.8
286.04727	34.6
287.05243	0.8
288.16342	1.7
290.14316	0.8
298.04623	1.2
298.14688	1.9
301.07077	100.0
302.07379	2.4
313.07053	5.9
314.07773	1.0
316.15781	24.8
317.14145	3.0
328.05603	1.0
334.16852	9.0
336.16577	0.8
343.08173	3.9
353.10345	0.9
362.13623	1.0
367.08154	2.0
378.15295	2.5
379.16095	15.4
397.09320	1.6
409.09528	0.7
427.10226	1.7
445.11227	0.9
445.20078	5.6
446.18387	1.8
463.12427	1.7
463.21246	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3034
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
53.03948	2.4
55.05513	7.7
56.96561	4.2
57.03453	4.1
57.07068	1.7
61.02926	3.5
65.03967	2.1
67.05515	15.3
69.03413	2.4
69.07091	4.7
71.05024	1.8
71.61301	3.1
73.02922	2.3
79.05505	9.3
81.03446	4.6
81.07053	15.4
83.05010	2.4
83.08625	3.5
85.02914	4.5
91.05499	6.9
93.07045	10.2
93.21941	1.4
95.04975	2.9
95.08613	9.0
97.02901	3.3
99.04449	1.8
105.07055	5.0
107.08597	6.2
109.10163	4.5
111.08189	1.8
117.07027	2.3
119.08609	4.1
121.10180	6.3
124.39198	1.6
131.08583	2.8
133.10188	2.3
135.11729	2.5
145.10191	2.5
149.13283	3.7
158.99686	1.8
159.11736	2.3
167.68861	1.9
183.54233	1.7
195.13806	2.0
216.48944	1.7
243.09003	3.1
261.10184	1.8
267.09183	7.3
274.07724	1.8
285.10144	8.2
315.11365	1.6
317.18073	6.4
324.11710	5.0
335.25751	2.0
349.16156	3.4
445.29315	86.8
446.30316	2.5
463.30551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31910	2.3
53.03925	7.1
53.22887	2.0
55.01855	4.8
55.05507	38.2
57.03437	11.3
57.07053	3.5
60.21875	2.1
61.02912	4.1
61.31976	1.9
65.03918	5.4
67.05505	90.5
69.03416	5.1
69.07067	32.2
71.04976	9.5
79.05061	4.0
79.05491	70.3
81.03396	7.9
81.07053	91.5
82.69640	2.2
83.04971	5.4
83.08615	19.9
85.02872	6.3
85.06528	5.0
91.03964	2.3
91.05475	98.4
92.98580	2.6
93.07043	75.7
95.04976	14.9
95.08041	4.1
95.08602	58.1
97.02836	3.3
97.06527	12.2
97.10133	7.4
105.04479	3.8
105.07030	84.5
107.04930	9.6
107.08592	36.6
109.06512	10.4
109.10160	19.5
111.08031	6.7
117.07010	39.1
119.04938	3.2
119.08580	55.8
121.06468	8.7
121.10127	32.7
123.08023	8.4
123.11665	5.6
125.09550	3.6
128.06178	8.6
129.06995	30.4
129.19630	2.4
130.07709	3.8
131.08574	75.3
133.06459	4.1
133.10135	34.3
135.08049	6.3
135.11693	14.8
137.06046	2.0
137.09618	6.5
141.06929	10.3
142.07730	3.0
143.08569	28.0
143.27864	2.1
145.06468	6.1
145.10123	40.5
147.08011	9.7
147.11707	14.8
149.09567	7.2
149.13211	8.4
151.11124	5.3
155.08577	15.7
157.06464	2.6
157.10147	20.6
159.08020	2.8
159.11679	22.1
161.09521	8.3
161.13226	6.7
163.11140	3.5
167.08548	6.0
169.10120	14.5
171.08075	3.0
171.11676	18.1
173.09593	4.2
173.13246	9.8
175.11189	3.8
177.12756	4.1
181.05019	2.9
181.10092	5.7
183.11714	10.6
185.13222	8.6
187.14706	3.9
189.12608	3.2
193.10197	3.7
195.06506	5.5
195.11674	8.7
195.13765	3.8
197.13206	6.9
199.11185	2.5
199.14850	3.4
201.12653	3.6
201.16290	3.4
207.13782	2.0
209.08058	2.7
209.13191	5.6
211.14737	5.3
213.16463	2.8
215.14294	3.6
217.15860	3.0
221.15230	3.6
223.14807	5.1
225.16217	2.8
227.14253	2.4
229.38910	2.8
233.15277	6.2
237.16368	3.6
245.15210	3.2
247.16927	5.4
255.17334	2.9
256.43204	2.6
259.16852	5.6
260.88882	2.3
261.18536	3.6
267.08606	2.5
273.18503	5.6
287.05362	2.5
287.19913	3.0
301.06879	2.9
307.24277	2.7
325.25226	10.8
335.23389	11.2
343.26358	20.3
353.24741	45.9
356.85724	2.4
371.21268	4.1
371.25790	64.3
373.16672	4.3
389.26859	61.6
427.28464	5.3
445.29434	83.1
463.30115	100.0
464.30804	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.8
53.03937	6.8
55.01867	6.6
55.05512	32.5
56.96572	4.4
57.03428	8.5
61.02901	4.0
61.41607	2.5
65.03957	5.0
67.05507	98.4
69.03419	5.4
69.07070	31.5
69.30511	2.8
69.75709	17.1
71.04983	7.6
79.05492	68.0
81.03433	8.0
81.07059	87.4
83.04976	8.2
83.08613	13.9
85.02900	5.9
85.06531	5.5
91.03937	3.1
91.05480	83.7
93.07047	78.3
95.04978	13.8
95.08033	4.9
95.08609	55.5
97.02905	3.5
97.06525	11.0
97.10159	7.1
103.05479	4.5
105.07032	77.2
107.04951	8.1
107.08599	38.2
109.06527	10.3
109.10155	21.0
111.04401	3.0
111.08096	4.8
115.05412	4.0
117.07026	37.4
119.08588	48.2
121.06489	10.5
121.10151	29.0
123.08063	5.7
123.11742	4.8
128.06195	7.2
128.98616	2.7
129.06999	26.6
131.08566	63.9
133.06508	4.1
133.10127	31.9
133.84627	3.0
135.08064	9.1
135.11670	10.2
141.06984	8.4
142.07790	3.8
143.08563	21.9
145.06474	8.6
145.10120	34.7
147.08061	9.7
147.11720	12.0
149.09612	8.3
149.13277	16.8
155.08557	11.2
157.10136	16.8
159.08148	3.6
159.11746	20.4
159.12938	3.8
161.09628	5.8
161.13274	4.3
167.08609	3.8
169.10147	12.3
171.11681	12.5
173.09647	4.9
173.13263	5.8
175.09631	2.9
175.11162	6.1
177.12747	5.3
181.10139	8.7
183.11682	8.1
185.09668	3.8
185.13231	4.2
187.11058	3.0
187.14897	6.9
189.12729	3.1
189.16531	3.8
193.12172	3.3
195.13777	3.7
197.13274	6.6
199.14783	5.7
209.13248	5.7
211.14833	4.6
213.12796	3.2
215.14215	3.0
217.16058	3.1
229.15974	4.0
233.15407	3.0
237.16420	3.7
239.17787	3.8
247.17014	5.5
249.88235	3.3
259.16956	4.9
261.18600	5.8
273.18472	4.2
285.10132	6.5
287.05563	4.1
291.89969	2.8
316.11804	3.2
325.25214	9.8
335.23749	6.2
343.26266	19.7
353.24731	35.7
371.25824	52.2
389.26913	51.9
417.30438	3.9
427.28339	7.1
445.29489	100.0
463.30621	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.9
55.01871	7.6
55.05515	38.4
56.96563	8.5
57.03438	9.0
57.07071	3.3
59.05009	3.4
65.03954	5.0
67.05507	73.5
67.05866	4.1
69.03442	6.0
69.07068	26.3
70.67635	2.5
70.67979	5.0
71.04993	11.8
79.05052	4.1
79.05495	54.5
79.05955	3.8
81.03425	98.1
81.03908	5.4
81.07062	100.0
83.04984	11.6
83.08627	35.7
84.50382	2.2
85.02921	5.6
85.06544	10.2
91.05486	56.5
93.07058	47.7
95.04985	38.1
95.08611	80.2
97.02913	3.1
97.06557	17.0
97.10175	8.9
98.97571	5.7
99.08090	4.3
104.64711	2.2
105.07043	40.4
107.04964	9.7
107.08603	24.5
109.06526	9.0
109.10152	24.3
109.29892	2.3
111.08076	12.9
115.07575	2.5
117.07029	7.4
119.08594	38.3
121.06506	9.2
121.10149	15.1
123.08116	7.0
123.11752	4.6
125.09650	7.3
129.07024	11.9
131.08583	18.5
133.06491	5.4
133.10123	24.1
135.08115	3.3
135.11702	11.5
137.05997	3.7
137.09621	5.9
137.13197	5.2
142.07794	3.7
143.08589	4.8
145.10123	8.1
147.08098	5.1
147.11688	8.9
149.09602	7.7
149.13272	5.3
157.10153	12.1
158.99753	2.2
159.11708	4.2
161.13275	26.6
163.87122	2.4
167.07097	3.7
169.10144	3.1
173.11876	3.5
173.13286	5.5
175.09747	2.9
175.11172	9.9
179.14339	10.3
185.13243	3.4
193.12233	31.5
211.13203	3.7
213.08147	5.9
231.09062	5.7
249.14911	5.2
251.09723	3.7
253.18039	22.6
267.15878	18.6
269.10620	26.0
273.18680	4.1
287.11765	9.7
292.12454	3.3
301.06982	3.2
339.18106	3.0
371.25632	10.7
389.26675	7.3
445.29709	16.7
463.23779	7.9
463.30728	42.2
475.55127	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	463.3788
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03954	4.8
55.01869	3.7
55.05518	59.2
57.07081	70.4
67.05500	38.4
69.03419	5.1
69.06709	6.4
69.07075	100.0
71.08635	49.3
79.05496	29.7
81.07063	60.3
83.04970	4.4
83.08628	63.6
85.10182	31.9
91.05480	24.2
93.07042	34.7
95.08620	70.6
97.10180	54.0
105.07050	38.5
107.04965	4.9
107.08605	64.2
108.08978	4.7
109.06526	26.8
109.10163	28.3
111.08096	23.2
111.11746	26.5
113.00034	8.6
117.07040	8.5
119.08578	46.4
121.06493	12.7
121.10146	27.9
123.08077	24.9
123.11704	14.7
125.05956	9.3
125.13283	11.5
129.06975	4.0
131.08549	15.8
133.10144	35.6
135.08069	39.2
135.11717	12.7
137.05960	11.6
137.09610	10.8
137.13264	9.2
139.07555	11.0
143.08617	7.6
145.10118	20.9
147.08101	9.4
147.11714	22.3
149.05991	4.8
149.09627	16.7
149.13269	12.3
151.07567	16.4
151.11171	4.9
151.14825	5.0
156.09442	4.1
157.10170	14.5
159.08020	4.6
159.11670	18.2
160.08846	4.0
161.09654	12.5
161.13255	36.1
163.11211	4.9
163.14879	7.5
165.09181	8.0
167.06956	7.6
169.02661	13.1
171.11684	7.2
173.09647	11.3
175.07549	5.8
175.11223	12.7
175.14885	8.4
177.09134	14.5
177.12724	9.1
179.18092	4.0
181.08559	20.9
185.13301	6.4
189.09116	6.1
189.12698	19.7
189.16454	4.9
191.18074	4.7
193.08607	6.9
203.10703	9.8
203.14351	10.0
203.18037	5.2
205.12215	6.4
217.12361	8.6
217.15994	8.2
221.11725	4.5
231.13756	9.3
235.13232	6.8
237.14868	6.2
249.14922	8.5
263.16415	5.4
277.17960	5.1
287.20108	4.5
291.19513	9.9
301.21695	4.4
301.25412	4.2
303.30710	4.1
305.21152	10.6
307.30045	7.4
315.30450	5.1
317.28299	4.8
319.22617	10.1
333.24347	9.8
347.25876	7.6
357.35162	32.3
361.27469	10.1
375.36313	11.0
385.34631	13.1
399.36362	29.0
403.35492	7.1
417.37222	23.2
427.35944	37.7
445.36758	61.6
463.37793	9.2
478.26892	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03918	1.6
55.05512	13.1
57.06815	2.5
57.07077	34.8
67.05498	8.9
69.07069	24.1
71.08275	1.9
71.08637	27.6
71.32430	2.2
71.32764	1.5
79.05486	4.1
81.07059	21.8
83.04978	1.7
83.08614	14.6
83.76781	1.7
85.10181	12.0
91.05468	2.3
93.07039	6.5
95.08610	16.9
97.02892	2.3
97.06538	4.3
97.10184	11.0
99.04435	4.5
105.07034	8.6
107.08585	8.2
109.06528	14.6
109.10159	7.5
111.08064	2.1
111.11720	5.8
119.08582	5.7
121.06499	1.5
121.10130	6.9
123.08066	12.3
123.11701	4.6
125.05995	16.5
127.07558	41.3
128.26111	1.7
131.08569	2.7
133.10118	3.1
135.08032	2.6
135.11641	2.9
137.05992	6.4
137.09616	5.2
139.07539	100.0
139.81248	1.4
144.11354	1.4
149.05974	4.9
149.09619	3.4
149.13275	1.7
151.07564	8.8
151.11195	2.4
153.09114	1.5
161.13269	2.5
163.07521	2.1
165.09024	2.5
167.07047	5.6
173.09674	1.7
175.14856	2.6
177.09097	13.4
189.16393	1.9
193.12234	2.4
207.13934	2.1
235.16965	2.0
249.18727	1.7
263.20151	1.4
301.28928	4.3
319.29877	9.7
347.33063	13.3
352.53125	1.4
373.31076	5.3
399.36246	4.8
403.35513	3.4
409.65445	1.4
417.37268	19.7
424.26080	1.8
427.35547	3.2
445.36789	57.2
446.37085	1.9
463.37915	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.73642	0.6
53.03949	1.0
55.01865	1.5
55.05513	14.0
56.20163	0.6
57.07079	30.6
67.05512	6.9
69.03410	0.9
69.06718	1.5
69.07074	24.4
69.53212	5.0
70.08392	0.6
71.08636	22.8
79.05493	5.4
81.07062	18.9
83.01345	0.9
83.02846	0.7
83.08619	14.1
85.02899	0.8
85.06483	0.7
85.10187	12.8
91.05468	5.6
91.75473	0.7
93.04736	0.7
93.07043	7.0
95.04963	2.2
95.08608	14.9
97.02869	1.4
97.06543	3.2
97.10185	9.1
99.04446	4.3
99.11742	1.9
105.07037	6.2
107.04967	1.6
107.08596	5.4
109.06524	12.3
109.10152	7.3
111.08086	2.1
111.11713	4.4
113.13277	0.7
119.08568	4.5
121.06501	2.0
121.10158	3.8
123.08075	12.4
123.11686	3.4
125.05997	14.2
125.09647	1.8
125.13316	2.3
127.07562	44.3
131.08614	1.7
133.10152	2.6
135.08070	2.7
135.11700	2.9
137.05984	4.7
137.09648	2.3
137.13292	1.4
139.07545	100.0
140.07890	1.1
145.10107	1.5
147.11703	2.7
149.05977	4.6
149.09650	2.6
149.13263	1.1
151.07545	7.8
151.11212	0.9
154.77223	0.8
159.11795	1.1
161.09688	1.2
161.13297	2.5
163.07556	1.9
163.11194	1.2
163.14941	0.9
165.09155	2.4
167.07059	5.2
169.08612	1.1
173.09750	0.9
173.13263	1.3
175.11220	2.0
175.14867	1.9
177.09122	14.2
177.12833	0.9
179.10727	1.4
187.11169	0.8
189.12825	1.4
191.10667	1.3
193.12294	0.9
193.15977	0.8
195.10185	1.0
203.14407	1.8
205.12334	1.4
207.13843	0.9
233.15598	1.1
233.40097	0.7
249.14949	1.9
301.28903	4.7
319.26450	0.6
319.29977	12.5
319.33517	1.1
347.33102	17.4
347.37006	1.1
373.31186	6.1
385.34390	1.5
389.37833	1.4
399.36298	3.4
403.35867	2.5
417.37259	17.8
427.35547	3.3
445.36783	42.5
446.37143	1.8
462.38657	0.7
463.37878	30.9
464.37964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.7
55.01870	12.2
56.05012	3.4
56.96554	9.0
57.03431	8.9
58.06614	3.0
60.70695	2.4
61.02924	5.0
65.03945	4.0
67.05507	2.7
68.99793	3.0
69.03434	43.5
70.06588	8.5
71.04993	4.7
71.59240	3.7
73.02909	9.7
78.51009	2.3
79.05511	3.2
81.03426	32.9
83.04996	5.0
84.08155	4.4
85.02909	94.8
86.06076	5.0
86.09698	8.0
87.00837	31.7
87.04459	14.8
87.05528	2.7
89.03918	14.7
95.04978	8.6
95.08637	2.4
97.02899	44.1
97.62961	2.8
98.97574	6.2
99.04465	14.9
104.05314	3.2
104.07104	28.8
105.01881	40.5
105.07036	4.5
107.04948	6.1
108.04487	10.0
109.02885	34.2
111.04443	3.7
115.61272	2.8
117.03384	11.4
120.04411	3.2
121.02909	5.4
121.06509	3.3
123.04420	6.2
124.99108	4.2
126.05501	6.4
127.03919	66.1
133.06470	4.8
135.04451	18.1
138.09129	3.0
140.04695	24.7
143.00200	5.0
145.02856	10.1
145.04965	31.2
147.02882	4.7
147.04387	4.3
151.03842	5.0
154.08522	3.2
155.07039	13.8
159.02872	19.0
160.07487	3.9
161.01161	3.0
161.06038	7.3
163.03909	100.0
164.04271	8.3
166.08650	4.4
167.07039	8.0
177.05438	3.4
181.04941	24.3
181.08661	6.9
193.08690	6.4
199.06036	26.3
199.09645	5.3
213.03964	6.2
231.05003	12.6
237.00688	5.3
255.01779	5.0
264.10220	3.2
273.02805	3.3
350.83282	3.3
374.45224	3.0
429.10031	4.1
464.17096	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	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01875	6.5
55.06028	1.4
56.96551	1.9
57.03430	2.9
61.02915	3.4
65.49744	1.3
65.86263	1.5
68.99788	3.0
69.03437	15.2
69.75172	2.4
69.75578	5.3
70.06595	2.2
71.04979	3.7
72.64797	1.3
72.88917	1.6
73.02900	4.5
74.97487	1.3
78.91321	1.2
79.05495	2.4
81.03422	18.3
84.04518	1.5
84.08125	1.5
85.02418	2.7
85.02905	48.0
87.00838	16.8
91.05481	9.8
93.07039	9.8
95.04966	3.0
95.08631	1.6
97.02907	16.8
98.97597	4.0
99.04427	6.1
103.05464	6.5
105.01855	12.1
105.06998	2.8
107.04949	3.9
108.04456	4.3
109.02871	16.9
117.01833	2.1
117.07029	1.8
117.19048	1.3
119.04957	2.6
120.05750	1.5
121.02848	2.4
121.06528	14.7
122.30596	1.4
123.08036	1.7
126.05532	3.1
127.03923	22.2
129.01807	2.1
131.04929	2.4
135.08029	3.8
137.05914	3.9
137.62180	1.4
138.09109	3.6
142.04483	1.3
145.04965	16.8
146.06015	2.1
147.02859	1.5
147.04376	3.0
149.05965	5.9
151.03964	1.8
159.02867	7.5
159.08055	2.3
163.03902	2.2
166.06252	7.6
166.08559	6.9
167.07013	3.0
175.03848	1.9
177.05446	2.3
179.06934	2.1
181.08600	100.0
191.06981	2.9
195.10159	5.2
199.09659	52.2
207.06586	2.9
209.08112	4.3
213.09462	1.4
215.07080	1.5
218.08076	2.2
219.10164	2.3
223.09676	18.9
229.08536	2.1
231.04987	3.9
232.07481	1.4
247.09718	5.1
248.07593	3.1
257.08234	1.6
261.11337	3.3
265.10818	8.4
280.07040	2.5
289.10712	12.8
307.11780	16.7
351.79773	1.3
403.17459	1.4
464.16299	2.0
465.19086	3.0
488.39792	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01860	2.9
55.05509	3.0
57.03440	29.1
61.02920	10.3
67.05484	5.9
69.03078	2.3
69.03434	35.5
70.06585	6.5
71.01315	3.4
71.04999	2.6
71.61209	3.3
72.08147	6.4
73.02923	68.3
73.45145	2.4
74.08322	2.4
74.95755	2.0
79.05487	2.6
81.03424	8.2
81.07044	2.8
84.08131	3.7
85.02911	51.4
86.09726	3.1
87.04482	3.9
89.03937	2.5
91.03941	2.5
91.05470	9.8
93.07040	2.8
95.04998	4.6
95.08572	2.3
97.02904	59.1
98.97567	6.8
99.04459	2.9
105.07026	3.8
109.02861	3.9
112.99107	2.7
115.03947	48.3
116.98678	2.6
117.09145	3.2
119.04945	5.5
119.08585	2.5
121.02876	59.9
127.03926	19.7
129.30455	2.1
131.00169	4.0
133.04997	14.6
135.04393	4.6
136.28754	2.1
137.22279	2.4
141.06860	2.1
145.04990	14.4
147.04385	4.1
153.05475	100.0
158.06033	2.5
163.06027	3.8
167.07100	2.6
175.03931	9.3
177.05498	3.7
207.06572	13.2
208.06847	3.1
219.01720	3.7
241.07126	4.8
259.08356	3.7
260.94083	2.6
272.07275	4.5
272.57501	6.9
273.07449	4.9
302.07242	4.8
302.19699	4.4
337.08008	3.6
464.21863	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	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.7
54.25378	0.5
55.01860	1.1
55.05508	1.1
56.96552	0.6
57.03424	1.7
60.12453	0.5
61.02907	1.8
65.03949	0.7
67.05489	0.6
68.99785	0.9
69.03434	3.8
69.07040	0.6
70.06583	1.4
70.87654	1.4
71.04972	0.9
72.08150	0.9
73.02901	0.7
79.05473	0.9
81.03422	2.8
81.07060	1.5
83.04993	0.6
84.08126	1.0
85.02911	12.0
86.09710	2.2
91.03989	0.6
91.05479	1.5
93.07033	1.6
95.04993	0.8
95.08595	0.9
97.02415	0.5
97.02905	4.2
99.04462	0.6
105.07012	1.0
107.08578	0.6
109.02887	2.2
111.00803	0.8
111.04448	0.6
119.04906	0.8
119.08599	0.9
120.08116	2.1
121.02870	1.7
121.06536	0.6
123.04435	0.8
127.03934	2.6
137.02365	4.2
137.05908	0.7
143.08524	0.7
145.02873	0.5
145.04955	2.0
145.10133	0.6
147.03172	0.4
147.04399	1.5
153.01823	5.5
155.04903	0.7
159.11693	0.5
163.03992	0.9
164.07141	0.5
165.01840	2.3
166.08667	0.5
173.06075	0.6
174.02328	0.5
177.05479	0.7
183.02919	0.8
201.05493	2.2
220.14925	0.6
220.65057	1.1
229.04941	4.3
229.15494	0.8
229.65646	0.9
238.16058	3.9
238.66176	5.4
239.16095	1.3
246.14925	0.6
247.06044	0.7
257.04529	3.3
274.04724	1.1
285.03857	1.8
303.05008	100.0
304.05301	2.5
315.04968	0.8
447.10626	0.6
465.17041	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1374
Annotation	Keyakinol
Peak:m/z	Relative Intensity
60.51943	0.3
69.03468	0.6
71.13965	0.5
79.05489	0.6
81.03419	0.4
81.07052	1.1
85.02890	1.1
85.06557	0.3
91.05489	1.3
93.07066	0.9
95.08610	0.5
105.07054	0.5
107.08627	0.7
109.10131	0.8
111.84986	0.3
119.08619	0.7
127.00044	0.6
127.03889	0.5
167.03174	0.7
176.04483	0.4
185.04243	0.6
200.93887	0.4
201.05315	1.3
215.06906	0.5
216.07582	10.8
216.09642	0.6
217.08385	10.1
224.82370	0.4
227.05353	2.6
238.06755	0.6
250.44760	0.4
257.04504	0.5
265.86206	0.4
271.04239	3.9
277.71191	0.4
285.16904	0.7
286.04715	0.8
295.83255	0.4
379.13687	4.8
403.13290	0.7
421.14725	39.5
422.15057	0.7
465.13736	100.0
466.13861	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01848	2.5
56.96555	3.5
61.02903	2.1
62.94927	1.8
65.03946	5.4
67.05503	2.2
68.86835	1.8
69.03431	10.1
70.06593	3.4
70.97536	1.7
73.02962	2.1
77.31927	2.3
81.03417	5.0
82.43713	1.7
83.04980	3.2
84.04518	1.9
85.02911	9.5
89.03909	3.1
95.04969	8.4
97.02894	5.6
98.97594	4.8
99.04404	2.6
109.02909	3.9
109.75739	2.3
111.04433	6.8
116.98603	2.3
117.03375	3.0
119.04938	2.4
121.02869	100.0
127.03933	2.5
135.04442	3.5
137.05989	2.2
139.03906	15.8
145.02907	3.9
147.04401	2.8
163.03932	17.8
164.04219	2.0
177.05515	2.1
219.01732	2.9
231.67334	2.1
265.07303	3.9
267.65988	2.1
283.08218	15.2
322.68011	2.2
333.83148	2.6
465.20059	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	465.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.8
55.05518	18.4
57.03441	8.5
57.07078	12.0
59.95681	0.9
66.66587	1.1
67.05511	10.6
69.07070	23.3
70.02750	4.6
71.08636	8.4
73.02928	8.5
79.05515	5.5
81.07062	10.8
83.04996	1.2
83.08626	22.9
85.10183	2.4
91.05470	1.5
93.07051	7.5
94.27246	1.0
95.08591	9.1
97.06530	3.6
97.10182	14.4
98.98470	46.6
99.04425	1.0
105.07053	1.4
107.08582	3.5
109.02883	1.2
109.10151	4.3
110.03696	1.6
111.08120	1.5
111.11710	3.3
121.10155	7.9
123.11669	1.7
129.05489	2.5
133.10110	1.1
135.01268	0.9
135.11716	4.8
136.99960	2.9
149.13223	1.2
155.01050	42.1
170.27083	0.9
173.73160	0.9
174.85925	0.8
191.00085	2.1
211.03778	1.9
218.74536	1.3
219.21066	2.8
229.04712	2.4
237.22188	10.6
239.23729	2.3
311.25815	100.0
312.26233	2.2
369.87305	1.0
380.35513	1.0
447.25101	14.6
465.29425	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	465.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86520	2.5
55.05291	3.2
55.05516	38.8
57.07084	15.5
59.05002	4.2
65.03944	4.7
67.05509	96.9
69.07073	43.2
69.58752	5.6
69.59152	18.7
71.05011	3.4
71.08638	9.2
79.05482	3.4
81.07063	23.6
83.08620	40.8
85.10197	4.7
89.06065	5.5
91.05495	5.1
93.07040	3.9
95.08620	11.8
97.10168	24.3
107.08606	4.0
109.10162	80.9
111.08088	3.8
111.11721	10.2
119.08559	5.4
125.13258	3.3
137.09621	3.6
139.03940	7.0
155.10722	3.4
158.47369	2.7
162.21400	3.2
171.88953	3.1
173.11755	29.7
181.05000	12.3
196.03432	2.7
203.10228	2.8
263.00827	2.9
362.48962	3.1
379.59021	3.7
416.12024	3.3
465.35858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05504	15.7
57.07082	27.7
57.75154	4.0
57.78324	3.8
65.03924	6.0
67.05500	18.3
69.07059	23.0
69.34031	21.2
69.34454	16.2
71.03716	4.1
71.08632	19.3
79.05489	9.6
81.07048	19.1
83.04975	10.0
83.08611	14.4
85.10184	13.1
89.06032	5.4
91.05486	5.1
93.07052	11.2
95.08605	12.5
97.06519	3.9
97.10177	11.7
99.04478	8.3
107.04988	6.1
107.08590	6.6
109.06489	5.6
109.10098	8.6
111.04433	18.9
111.11704	6.9
119.08627	5.9
121.10172	7.5
123.11745	6.1
125.02421	7.1
125.06004	14.7
127.03933	9.8
133.10194	5.6
135.04449	5.4
139.03842	7.1
149.09575	5.0
153.05478	94.6
163.07480	4.9
167.07082	9.0
181.04869	4.0
181.08603	10.9
187.06033	5.2
195.10187	6.8
199.06026	100.0
201.46165	4.6
213.07655	7.6
223.13281	4.3
227.09201	5.6
241.10748	5.2
255.12306	14.9
269.13840	7.5
283.15408	4.2
287.50891	4.8
297.17343	4.6
311.18515	6.6
325.20169	4.8
339.21594	12.4
353.23505	5.5
391.32227	5.2
409.29459	4.8
419.35062	8.7
447.34674	7.7
465.35965	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.7
55.05513	13.7
57.07083	26.1
61.57016	2.4
65.03924	2.1
67.05509	16.9
69.07072	22.9
71.04980	2.7
71.08633	26.5
79.05482	9.8
81.07044	14.6
83.04971	7.9
83.08635	14.9
85.06541	3.5
85.10191	13.7
89.06050	5.3
91.05453	4.3
93.07057	5.8
95.08604	16.9
97.06522	3.8
97.10172	12.2
99.04469	5.4
105.07040	4.1
107.04955	4.2
107.08597	7.4
108.15170	2.0
109.06525	5.0
109.10167	13.1
111.04451	12.4
111.08116	2.5
111.11724	4.6
119.08562	3.0
121.10135	4.6
123.08081	3.1
123.11686	5.2
125.02336	8.3
125.05990	15.2
127.03892	8.7
128.31235	2.3
131.08565	2.5
133.10097	4.0
134.50507	2.1
135.04414	5.6
135.08055	4.4
135.11688	6.1
137.05887	5.2
139.03923	4.1
139.07605	3.5
145.10158	2.1
147.11778	2.0
149.09673	3.6
149.13235	3.3
151.07550	6.6
153.05470	82.6
153.06718	4.6
155.07030	4.1
159.11723	2.8
167.07050	8.1
167.10742	2.8
169.04955	4.2
169.08656	3.8
173.11787	4.2
177.09099	4.4
179.10718	3.1
181.05006	6.8
181.08614	7.7
187.06018	2.7
187.14815	2.6
192.23622	2.2
195.10143	6.5
199.06024	100.0
203.93904	2.2
209.11691	5.3
213.07552	3.5
223.09457	2.0
223.13257	3.5
227.09132	4.9
237.14905	3.7
241.10577	3.4
255.12256	7.2
265.14355	2.9
265.17865	4.0
269.13922	4.6
283.15323	3.5
297.17038	4.1
307.22354	2.9
311.18497	7.9
325.20035	7.0
335.22107	3.5
335.25668	3.7
339.21628	5.9
347.29480	6.4
353.23166	6.9
367.24890	3.4
381.26251	4.1
385.29291	3.6
390.80295	2.4
391.31979	6.0
395.28036	4.2
401.33908	3.4
409.29553	4.7
416.35858	2.3
419.35257	6.5
429.36752	3.3
465.35757	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	466.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.7
61.02891	0.8
65.03941	0.7
69.03426	2.2
70.06596	5.9
71.04971	0.7
71.60746	0.8
72.08148	1.2
79.05482	0.7
80.04422	0.6
80.04929	0.7
81.03413	1.0
82.06576	0.6
84.08160	0.9
85.02891	2.2
86.09677	0.9
89.03902	1.7
91.05498	0.7
91.56473	0.6
91.86884	0.6
95.05006	0.8
96.08122	1.2
97.02874	2.6
97.25204	0.6
98.97576	1.6
110.07182	0.8
110.97556	0.7
115.03910	0.9
115.08656	0.7
117.03368	1.7
119.04911	0.9
120.08156	0.7
121.02836	1.8
121.04061	1.1
123.04413	1.1
124.07587	7.7
127.03928	1.4
128.98602	0.7
130.06502	1.4
132.04434	0.7
133.05003	0.7
135.04434	1.6
142.83424	0.6
145.02887	1.3
145.05025	0.7
146.06020	0.9
147.04422	0.8
151.03938	2.1
152.04291	0.9
155.03320	0.6
155.07047	2.7
163.03902	10.3
164.04279	1.5
169.04950	1.0
169.21973	0.6
171.02672	0.7
172.07602	0.6
175.03816	0.9
177.05502	0.7
178.33096	0.6
179.06992	0.7
188.03638	0.7
207.06479	1.4
215.03688	1.1
216.11342	1.9
234.12428	1.3
242.09213	1.8
247.05676	0.7
286.12024	0.9
304.12894	1.5
317.08701	2.9
333.07980	1.3
334.09033	6.2
335.09598	0.9
363.16644	2.1
431.99698	0.7
448.16635	0.7
466.13229	100.0
467.13596	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	5.1
57.03436	22.8
60.04522	3.6
60.08165	4.0
69.03433	88.2
69.81926	8.7
69.82343	13.4
70.06592	4.2
73.02915	4.6
75.50078	3.8
81.03413	7.4
81.07064	4.4
84.08143	5.7
85.02902	75.0
87.04474	54.3
89.03947	4.3
89.58022	4.1
91.05431	3.8
97.02898	69.1
98.21320	10.1
98.97557	5.2
102.06470	3.6
107.04971	4.3
109.02889	7.7
110.97585	5.5
115.03934	89.3
116.98591	5.2
121.02885	6.5
123.04388	4.2
124.07629	7.9
127.03945	12.0
128.98537	5.3
133.04974	100.0
133.06453	4.6
137.02325	46.8
137.05977	7.7
145.02942	6.5
145.04959	13.4
146.06027	4.2
147.04405	5.6
150.07637	18.4
155.03394	73.0
163.03925	17.2
177.05510	6.8
191.56268	3.5
216.11348	8.7
219.01811	4.0
221.08017	4.1
363.16724	7.9
367.29404	3.5
422.23831	7.8
466.12820	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26460	2.5
53.03936	2.5
55.01873	6.2
55.05500	2.4
57.03445	19.2
59.04996	4.2
61.02941	4.4
69.03437	52.8
69.07082	3.2
69.91058	10.1
70.06591	7.6
73.02941	14.7
81.03416	7.6
84.08155	4.2
85.02916	36.7
87.04469	28.3
91.05470	8.7
95.04955	8.1
97.02905	42.1
98.20757	4.4
98.97590	6.4
105.07044	4.6
107.04960	2.8
109.02876	4.6
115.03942	50.5
119.04949	7.8
121.02869	2.7
123.04442	32.2
124.05238	7.3
127.03923	7.2
133.04967	51.9
135.04387	2.8
137.05995	14.9
139.03931	4.1
140.04677	7.1
145.02837	3.4
145.04932	8.0
147.04416	14.0
149.02298	2.7
149.05927	3.0
150.07693	13.1
151.07555	11.9
153.05473	6.6
155.07040	100.0
163.03922	9.8
164.04765	15.4
167.07072	6.7
175.03932	10.5
177.05556	4.8
179.07059	46.4
181.05006	3.1
182.05768	3.8
191.07019	8.7
197.08130	11.7
205.08560	3.8
206.05943	3.6
207.06525	30.4
219.06505	2.4
221.08107	7.9
233.08061	9.6
234.12453	3.6
251.09123	22.1
281.10324	3.9
286.14444	3.8
291.51205	2.4
293.08929	2.9
363.16702	3.0
457.37555	2.4
466.13867	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90820	1.2
52.99323	1.3
54.16357	1.1
55.05504	1.3
56.05036	2.4
56.96553	2.8
60.05635	3.0
69.03413	2.3
70.06594	17.6
71.59481	2.3
72.08150	2.1
73.02897	1.6
79.05483	1.7
81.03410	2.6
81.07058	1.4
83.06104	16.1
84.04519	2.3
84.08135	2.9
85.02895	5.9
86.03559	8.3
91.05531	2.0
97.02895	3.1
97.07682	7.7
98.06030	1.6
98.97578	3.7
102.05616	1.3
105.03397	2.2
105.07046	1.6
107.04939	3.8
107.08584	1.4
110.97581	2.4
111.04448	1.9
115.08688	5.6
117.03362	1.6
118.08649	2.7
119.04893	1.7
120.04483	11.6
120.08068	1.7
121.02847	2.1
121.03951	3.9
124.07607	4.0
127.03981	1.5
128.98586	1.9
132.04465	3.9
134.06007	4.3
135.04434	2.8
141.06549	4.2
145.02846	2.6
145.04860	1.3
146.06070	1.9
147.04369	3.0
158.06030	5.1
161.07104	2.2
163.03879	5.8
167.07048	2.8
172.47247	1.4
177.05441	2.0
196.04521	1.3
204.06470	2.1
206.12883	3.3
216.11327	100.0
217.09702	1.7
217.11615	2.0
219.01788	1.4
232.10789	2.2
234.12381	68.2
234.98988	4.8
235.99387	1.9
260.10315	9.1
288.13602	2.7
292.11749	1.9
317.16037	4.6
319.14542	2.0
319.17920	7.9
334.09061	2.3
337.04739	1.4
345.15240	1.5
363.16638	95.4
364.16916	3.3
372.79581	1.4
381.17697	8.0
389.14206	1.5
466.13336	27.1
466.19653	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56261	0.6
53.03946	1.8
55.01874	2.2
55.05507	2.7
56.00108	0.6
56.96567	0.7
57.03448	3.6
57.07063	2.0
59.89793	0.5
61.02927	2.7
67.05503	6.0
69.03439	8.3
69.07063	4.5
71.01358	0.9
71.04978	1.2
71.60972	1.0
73.02921	11.3
79.05495	10.4
81.03428	2.5
81.07061	100.0
83.04989	1.5
83.08626	1.1
85.02913	20.2
85.03425	1.3
85.06518	0.8
86.09712	0.9
87.04476	1.2
91.03970	0.8
91.05492	2.1
93.07051	4.6
95.04965	1.2
95.08612	17.6
97.02898	13.7
98.97584	1.1
99.04445	1.2
103.03951	0.9
105.07031	2.4
107.04953	1.0
107.08595	2.5
109.02903	2.7
109.10181	2.5
110.07149	0.7
111.04469	0.7
115.03952	5.1
119.04933	0.9
119.08596	1.4
121.10159	1.6
123.11752	1.2
127.03929	7.3
131.08588	1.3
133.04977	8.9
133.10201	1.2
136.07690	0.8
137.05962	1.1
137.13264	21.1
145.04984	10.3
145.10220	1.0
147.11633	1.0
149.13350	1.5
159.11769	2.0
163.06041	3.3
167.07039	0.7
177.12798	1.8
184.07416	1.3
185.07773	0.8
223.06053	1.5
233.09340	0.9
238.09746	1.7
241.07173	2.3
259.08179	4.3
260.10968	1.0
269.17480	5.9
277.09348	1.0
295.10400	2.0
304.13852	1.2
381.06018	0.7
450.66403	0.7
451.17203	0.7
466.13522	0.8
466.29697	1.2
489.73572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05510	4.8
56.96568	1.2
57.03449	5.5
57.07076	1.1
61.02932	1.9
65.03959	1.1
65.49083	0.7
67.05514	23.0
69.03429	2.8
69.07080	7.1
69.33350	0.9
70.06579	0.8
71.05009	2.4
71.60997	0.8
73.02926	1.7
79.05502	11.0
81.03423	2.2
81.07066	30.4
83.04987	3.1
83.08627	4.6
85.02922	5.0
85.06554	1.5
89.03945	0.9
91.03992	1.4
91.05494	8.1
93.07055	21.3
95.04991	3.0
95.08611	8.9
96.08961	0.8
97.02898	2.6
97.06547	5.7
97.10165	1.2
98.97610	0.9
99.04479	1.7
99.08091	0.9
105.07047	3.2
107.08614	11.9
109.02888	2.2
109.06532	1.5
109.10166	2.6
111.08089	3.6
115.03923	0.7
116.98636	0.9
117.07040	2.5
119.04989	1.2
119.08588	2.4
121.06540	0.8
121.10163	8.0
123.08067	0.8
123.11680	1.5
127.03957	2.4
131.08575	4.4
133.10130	2.8
135.11714	4.7
137.09743	0.9
137.13261	1.2
145.02837	2.9
145.10123	1.1
147.04407	1.2
147.11713	1.3
149.05940	0.9
149.09645	1.0
149.13281	16.1
159.11734	9.3
161.13261	0.8
169.10083	1.1
177.05545	4.4
177.12770	5.2
179.14323	1.2
195.13873	6.9
207.06483	0.8
213.14946	1.1
269.17508	100.0
270.17859	1.7
273.10172	1.7
304.87311	0.8
316.46027	0.9
342.11392	0.9
352.91357	0.8
448.30219	1.0
466.31055	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.3
57.03436	5.8
57.07069	1.9
57.52362	1.2
61.02907	3.0
67.05510	22.0
69.03423	3.1
69.07067	9.3
69.46708	9.2
71.04986	1.5
71.17309	1.0
73.02912	4.0
77.03886	1.1
79.05502	11.6
81.07056	48.5
83.04985	2.5
83.08631	5.8
85.02902	4.1
85.06519	2.1
91.05482	4.5
93.07043	26.3
95.04977	1.5
95.08600	9.9
97.02880	4.5
97.06529	6.2
99.08073	1.7
105.07030	4.5
107.08588	13.1
111.08089	2.8
111.53346	1.2
115.03930	2.3
117.07027	3.7
119.06148	1.4
119.08606	1.3
121.10130	7.8
127.03985	1.5
130.06403	1.6
131.08553	2.8
133.10126	3.7
135.11661	3.8
137.13234	4.0
145.04951	1.9
149.13252	16.2
159.11713	5.7
170.23055	1.2
177.12732	4.9
195.13818	5.5
205.24246	1.2
206.91914	1.4
216.61673	1.6
219.01816	1.1
222.65244	1.2
269.17471	100.0
356.12277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99408	2.1
55.05495	3.4
57.07084	29.5
67.05515	4.7
69.07069	2.7
71.08277	2.2
71.08641	28.2
73.06541	3.4
76.54705	2.3
76.66912	2.2
81.07053	3.5
83.08636	2.8
85.10202	16.8
89.06036	100.0
95.08612	2.3
97.10168	6.0
98.21496	5.3
107.07085	2.5
111.04447	2.2
128.07138	3.8
130.08694	3.1
133.08601	47.9
139.03899	2.9
151.09645	2.9
177.11263	8.6
221.13812	2.8
239.14915	22.7
278.52698	2.2
278.55661	2.2
449.38611	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	467.1526
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
52.33551	0.4
64.40530	0.4
67.05495	1.2
68.25279	0.4
69.03419	1.8
70.06578	1.4
71.59837	0.6
74.44840	0.4
79.05499	0.9
81.03416	1.0
81.07031	1.1
82.11877	0.5
83.04942	0.5
84.08137	1.1
85.02899	1.4
85.06040	0.5
85.06536	0.9
86.09695	1.7
90.11346	0.4
91.05466	1.4
93.07040	1.1
95.04950	0.5
95.08601	1.1
97.02873	0.7
97.06535	0.9
98.97588	0.8
105.07043	0.8
107.04982	0.6
107.08592	0.7
109.02814	0.7
109.10117	0.5
117.06986	0.4
119.04905	1.1
119.08562	0.6
121.06481	0.4
125.09595	0.4
125.88732	0.4
127.03931	0.8
136.07545	0.5
137.05986	0.5
145.02831	0.4
145.10123	0.5
147.04396	1.5
160.07622	0.6
161.05978	0.5
162.02254	0.9
167.07071	0.7
175.03975	0.6
181.05008	0.8
184.07292	0.5
207.06535	0.7
219.10303	0.6
229.25157	0.4
232.98254	0.4
259.09586	0.5
265.04596	0.4
287.18533	0.5
292.05884	0.5
304.11597	0.5
452.13239	0.5
467.15265	100.0
468.15326	2.8
486.20908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
61.33495	0.5
67.05505	0.8
69.03421	1.8
69.07061	0.6
70.06603	1.6
71.05003	0.6
71.61176	0.6
72.08144	0.8
73.02910	0.6
79.05474	0.8
80.05013	0.4
81.03426	0.9
81.07069	1.7
84.08128	0.8
85.02914	2.3
86.09711	1.9
91.05487	1.3
93.07057	1.3
95.05000	1.0
95.08588	0.9
97.02911	1.0
97.06522	0.6
98.97578	1.0
99.08112	0.4
105.07043	1.6
107.08603	1.0
109.02914	1.0
109.06480	0.5
115.59715	0.4
116.98604	0.5
119.04999	0.9
121.06496	0.4
121.10151	0.7
124.07563	0.7
133.06517	0.5
136.07594	0.7
137.05984	1.0
140.07010	0.5
144.54620	0.5
145.02776	0.6
145.10115	0.6
146.06041	0.9
147.04419	0.9
159.11739	0.6
164.07106	0.9
167.07072	1.1
177.05493	0.6
181.05081	0.5
184.07399	0.9
201.06686	0.8
207.02455	0.4
207.06616	0.8
219.06569	0.6
223.06091	0.6
265.46402	0.5
295.04135	0.5
305.18524	1.1
423.16699	1.3
467.15286	100.0
468.15497	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09934	0.2
56.96574	0.4
57.03422	0.2
68.05028	0.5
69.03439	0.6
69.95727	0.5
69.96128	0.4
70.06596	100.0
71.04995	0.5
71.06922	0.6
73.02954	0.4
81.03429	0.2
83.05013	0.2
84.04533	0.3
84.08157	0.4
85.02918	1.1
88.67066	0.2
89.03916	0.3
97.02911	0.5
98.97619	0.5
105.01914	0.2
109.02882	0.6
110.07201	0.3
112.07598	0.5
113.44276	0.2
116.98598	0.2
117.03387	0.4
119.04956	0.3
120.08099	0.4
121.02908	0.3
122.73074	0.2
123.04549	0.2
124.07624	0.4
127.03946	0.5
128.98640	0.2
130.06546	0.3
132.04448	1.5
135.04439	0.4
140.07085	0.3
143.00208	0.3
145.02895	0.7
145.07689	0.3
147.04437	0.5
150.05548	0.7
150.30971	0.2
151.03947	0.6
151.42296	0.2
155.07095	0.3
163.03912	2.0
177.05450	1.3
188.28647	0.2
201.10268	0.9
219.01762	0.2
219.11400	0.8
231.05305	0.2
261.24866	0.2
269.03540	0.3
287.14096	0.3
294.04401	0.2
318.12054	0.3
330.40073	0.2
335.08908	0.2
362.08606	0.2
364.17316	0.2
467.16614	2.9
468.09479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	15.9
69.03436	13.6
69.29997	41.9
70.06598	24.2
84.08131	6.3
85.02912	15.3
89.03930	13.7
91.05502	25.8
97.02937	7.0
98.97579	35.7
102.62527	4.9
107.04974	5.8
110.97610	8.1
112.99203	7.8
116.98631	15.8
117.03390	18.8
118.08630	5.9
119.04957	40.2
120.08100	10.1
122.06035	16.5
124.07637	23.4
125.07945	10.2
127.03973	6.6
127.04957	4.4
134.06050	12.2
136.07597	100.0
137.05978	7.6
138.05469	24.4
140.07079	64.7
142.08664	7.2
143.00182	8.2
145.02840	58.9
146.06065	6.3
147.04433	9.6
149.05925	6.8
158.99655	5.5
160.07578	14.7
161.01295	7.7
162.05486	23.2
163.03897	25.8
168.98082	6.3
177.00691	6.2
177.05492	77.6
181.52452	4.9
186.99187	9.3
201.00624	5.7
215.07994	4.9
219.01785	18.9
237.00764	5.0
237.02785	23.9
261.02850	11.4
267.09802	12.7
269.03430	11.6
270.87582	5.0
287.04263	5.7
320.01328	5.9
331.03262	9.5
392.90298	5.0
407.06641	9.5
425.07834	7.0
443.08624	18.8
446.20621	4.9
467.14453	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	467.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95841	1.0
55.05512	2.5
56.96569	22.5
57.51797	1.0
67.05499	3.0
67.52521	0.9
69.01264	1.0
69.07071	1.6
69.71227	6.3
70.06603	1.6
71.04970	1.2
71.95264	3.7
79.05499	2.7
81.07050	3.6
81.16944	1.0
82.81879	1.0
83.05011	1.1
83.08615	1.1
84.96044	2.2
91.05489	2.6
93.07031	2.3
95.08604	3.8
97.96802	2.2
98.97588	2.2
105.07012	2.9
107.08611	1.9
109.10149	3.3
110.97587	8.0
119.08605	2.5
121.10155	2.6
128.98625	13.2
131.08635	1.3
133.06534	1.3
133.10130	2.1
137.02739	1.7
143.00099	1.4
145.10081	1.9
146.99638	7.3
149.02351	3.5
150.02661	1.2
157.01788	1.1
157.10164	1.2
159.11691	1.1
161.01198	1.8
161.04869	1.2
171.03308	1.9
185.04884	1.7
189.04355	1.9
193.04990	3.0
194.05370	1.6
199.15022	1.0
203.05870	2.2
209.05005	1.1
212.93683	1.1
214.41202	1.1
218.68610	1.1
227.09459	1.5
241.11140	1.3
259.12283	1.5
263.09592	4.9
270.11337	1.2
281.10651	3.8
299.11627	2.5
301.00726	1.2
303.12692	3.2
313.14694	1.6
315.16306	54.2
331.15680	2.3
333.17392	100.0
334.17651	1.5
351.18414	31.9
356.18951	11.7
374.20013	4.5
377.20071	1.6
399.65039	1.2
407.21036	12.6
407.25955	1.7
411.57361	1.1
467.33017	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	467.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	21.3
69.07023	0.3
70.09255	1.3
71.95265	3.1
72.96045	2.2
84.96031	0.7
86.97568	0.3
97.96825	0.5
98.21462	0.6
105.00164	0.7
109.57335	0.3
110.97565	1.3
115.00682	0.3
119.01736	0.6
123.01153	0.5
124.83572	0.3
127.00698	0.3
128.98581	1.0
132.39484	0.3
133.03207	0.3
137.02774	1.7
140.55376	0.3
141.02219	0.4
142.55800	0.3
151.04312	0.6
155.03830	0.6
161.01218	0.3
167.03751	0.3
169.05321	0.3
179.07448	0.6
181.05324	0.3
197.08569	0.8
212.07158	0.4
223.10052	4.3
235.10066	7.1
241.11130	42.9
253.11130	79.3
254.11461	1.0
259.12189	35.6
264.12802	1.5
271.12180	100.0
272.12488	1.0
276.12689	1.5
282.13724	1.0
289.13223	2.7
294.13779	6.4
345.17160	0.3
369.19409	0.4
374.05463	0.4
378.24646	0.3
407.50052	0.3
453.69919	0.3
467.26813	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	467.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45316	1.1
55.05515	6.0
57.03436	11.0
57.06820	2.2
57.07081	35.0
67.05510	11.4
69.07074	9.9
69.07896	1.1
69.56131	8.1
71.08275	1.6
71.08636	22.1
79.05514	1.2
81.07059	13.6
83.08647	7.8
85.10194	11.0
89.06043	1.7
94.85995	1.1
95.08611	19.0
97.10156	5.4
98.98479	52.9
105.07046	1.6
107.08582	1.5
109.10165	10.6
123.11705	2.2
136.99980	5.4
155.01050	54.8
157.07437	1.4
162.32690	1.3
211.03711	2.1
229.04723	2.4
239.23682	4.2
311.25894	1.3
313.27380	100.0
314.27731	1.7
321.11969	1.3
393.24060	2.6
449.26639	12.3
449.58463	1.3
467.31332	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.4
57.03426	1.1
57.07079	37.5
59.05007	5.1
64.07533	0.9
65.03938	1.6
67.05509	100.0
68.21011	0.9
69.07072	10.3
69.33173	0.9
70.03203	5.0
70.03577	2.1
71.04999	2.4
71.08270	2.0
71.08635	26.7
79.05491	3.8
81.07065	33.8
83.08629	16.7
85.06554	3.5
85.10185	15.9
87.04456	1.5
89.06033	3.1
91.05495	8.1
93.07037	5.1
95.08608	29.4
97.10162	5.4
97.53526	1.2
99.11764	1.1
105.07025	2.5
107.08606	3.3
109.10162	83.4
110.10489	1.0
110.31054	1.0
111.08092	3.6
117.06936	1.4
119.08593	6.7
121.10146	2.1
123.11739	6.3
133.10112	2.0
137.09642	4.1
137.13310	3.4
145.10201	2.2
155.10609	5.9
156.96431	1.3
159.11752	1.2
165.16399	1.2
173.11761	27.2
221.22571	1.2
239.23701	9.4
288.32504	1.1
408.38931	1.2
443.26938	1.0
467.22437	4.9
467.31787	7.8
467.37445	82.3
468.38007	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
55.05518	15.6
57.03430	1.7
57.06818	2.7
57.07076	38.0
59.04985	4.7
62.49096	1.3
65.03921	2.9
67.05508	100.0
67.48625	1.2
69.07070	11.0
69.40409	7.0
69.40828	5.3
71.04998	3.2
71.08634	24.0
79.05489	2.9
81.06585	1.5
81.07059	27.9
83.08624	17.1
85.06542	3.1
85.10194	11.7
89.06036	2.4
91.05495	7.0
93.07046	5.3
95.08615	31.3
97.10165	7.6
98.21553	2.7
99.04429	1.5
107.08611	3.8
109.06496	1.5
109.10160	74.9
111.08084	4.1
111.11713	2.0
113.06013	1.7
119.08579	4.6
123.11694	5.4
125.06045	1.9
135.11691	1.5
137.09631	4.2
137.13284	2.5
155.10701	4.0
173.11771	25.6
173.13185	2.8
239.23743	7.0
290.57516	1.6
379.35623	1.8
380.42166	1.7
467.37311	75.4
468.37646	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.6
57.03442	0.5
58.06597	5.9
59.07380	3.7
69.03426	0.9
70.06583	0.9
70.75602	1.0
79.05486	0.5
84.08153	0.7
85.02898	1.6
89.03935	1.1
91.05445	0.4
91.19440	0.4
97.02883	0.8
98.97591	0.8
101.00887	1.0
103.00591	0.4
107.04956	0.8
109.02835	0.4
110.07195	0.5
111.04462	0.5
117.03381	1.5
118.08662	100.0
119.01926	1.3
119.04967	0.8
119.08984	0.7
120.02113	0.4
121.04012	0.6
122.01395	0.6
127.03968	0.6
131.01888	0.7
133.03465	0.5
133.06422	0.5
135.04424	1.9
136.06200	0.4
137.05994	0.6
143.01903	1.4
145.02902	1.4
146.06024	0.9
147.04443	2.2
155.01942	0.7
156.04276	0.8
161.03000	1.6
162.03131	0.6
163.03909	6.7
164.04259	0.9
167.07069	0.7
169.03523	0.4
173.02953	1.3
175.04633	0.4
176.07713	0.7
177.05482	1.8
185.02960	0.7
187.04491	0.5
200.07991	0.4
203.04057	0.9
207.60571	0.5
212.07660	0.5
219.01961	0.5
221.04965	0.6
222.05350	0.5
245.05174	1.4
246.05389	0.9
251.98300	0.6
275.08383	0.5
282.54788	0.5
287.11832	1.1
288.09134	0.6
305.12918	1.5
334.15469	0.7
348.89935	0.4
351.18088	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	468.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	6.5
59.07383	3.9
71.53947	0.3
88.78668	0.4
96.53434	0.4
101.00876	0.4
103.56319	0.4
118.08661	100.0
119.09087	0.6
140.60504	0.5
156.04182	0.5
163.03911	0.6
173.03001	0.5
177.84937	0.4
186.06165	0.5
187.04533	0.5
204.07137	0.4
245.05101	1.1
246.08492	0.4
272.09363	0.5
274.07840	0.5
287.11908	0.6
305.12781	1.8
334.15646	0.5
351.18207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05513	0.5
56.05023	1.3
57.03436	0.8
57.07078	3.5
58.06602	1.4
60.07867	0.9
60.08167	17.3
67.05493	1.0
69.07052	0.6
69.77006	0.7
69.77412	2.0
71.07375	6.5
71.08621	2.2
81.07057	1.4
85.10180	1.6
86.09707	47.7
86.49259	0.4
93.97611	0.4
95.08616	1.7
98.98461	2.8
104.10746	100.0
105.16542	0.5
107.08616	0.8
109.10171	0.5
117.45181	0.4
125.00009	27.4
134.27928	0.4
163.01599	0.7
176.26141	0.5
184.07344	94.5
258.11111	1.0
285.24268	2.7
450.29828	8.9
468.30878	23.8
469.30930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
53.03929	0.7
55.01871	0.8
56.96561	0.9
57.03431	1.2
61.02911	0.5
67.05500	1.0
69.03422	1.3
69.07059	0.8
70.06603	2.9
70.48682	0.3
71.59739	0.8
72.08146	0.7
73.02921	1.9
79.05489	0.6
81.03404	0.6
81.07053	1.6
83.04998	0.7
83.08627	0.4
84.04504	0.7
84.08150	1.2
85.02897	1.3
85.06524	0.8
86.09689	1.3
91.05486	1.1
91.53984	0.3
93.07042	0.9
94.56194	0.3
95.04986	2.4
95.08607	0.8
97.02898	0.6
97.06535	1.0
98.09711	0.4
98.97576	1.0
99.08091	0.4
105.04533	0.3
105.07018	0.6
107.04929	0.4
107.08579	1.1
109.02900	0.6
109.06502	0.5
109.10149	0.5
110.06044	0.4
110.07108	0.4
111.04404	0.7
116.98560	0.5
119.04896	0.8
119.08624	0.9
120.08118	1.5
121.06486	0.4
121.10168	1.2
123.04428	2.9
123.08020	0.5
124.07574	0.9
125.05914	0.4
130.06494	0.4
131.04970	0.5
131.08504	0.4
133.10104	0.5
135.04428	0.5
135.11710	0.6
135.34766	0.3
137.05974	0.8
140.04691	1.0
143.08527	0.5
146.05974	0.4
147.04443	0.8
148.87114	0.4
155.07028	1.9
161.05959	0.8
163.03902	0.8
165.01903	0.5
165.05513	0.4
167.07024	1.5
168.31174	0.4
169.06561	0.4
175.03743	2.0
175.07584	0.5
177.05470	0.8
181.04935	1.2
181.06358	0.4
183.06572	3.2
185.04214	0.8
187.07521	0.8
189.09088	0.9
191.07056	0.7
199.07785	0.4
207.06595	1.1
209.01225	0.5
213.09137	1.0
217.08527	0.5
225.07568	0.7
229.06871	0.6
231.10048	0.4
235.09694	0.5
253.21750	0.6
259.09680	1.5
271.22849	0.5
274.06750	0.5
277.10693	3.4
285.07465	0.4
299.05521	1.7
300.05914	1.8
301.06448	0.4
313.07053	0.4
317.08450	9.4
321.07736	0.5
329.06647	3.3
330.06967	1.7
337.08887	1.5
353.06619	0.9
354.06970	0.7
361.02237	0.5
367.01575	0.4
371.04181	0.6
375.03821	0.7
376.04282	0.5
385.02243	1.0
386.02890	0.8
403.03421	1.0
404.03680	0.8
415.03381	1.2
416.03714	1.0
432.09796	0.5
433.09100	0.6
437.10623	0.5
469.13159	100.0
470.13315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
57.03438	0.8
57.17244	0.6
58.57434	0.6
67.05482	1.4
69.03432	1.5
70.06586	2.6
70.28799	1.5
70.29194	1.3
71.04998	2.0
72.08147	0.9
79.05461	0.8
81.03396	1.2
81.07064	1.4
84.04494	1.0
84.08140	1.4
85.02905	2.6
85.06548	0.8
86.09738	1.2
91.05479	1.1
95.04980	1.5
97.02859	1.0
98.97567	1.9
104.00355	0.6
109.02918	0.7
121.02811	1.0
123.04421	0.9
127.03904	1.5
132.04431	0.7
136.07558	0.7
137.05994	0.9
138.31079	0.6
145.02876	1.4
145.07622	1.0
149.97314	0.7
160.07684	0.7
163.03972	0.9
167.07045	0.9
175.07449	0.7
177.05490	2.7
183.06590	1.4
185.04280	0.8
189.05196	3.2
189.09212	0.8
205.04732	1.8
220.07071	11.3
221.07849	12.7
227.05457	1.4
247.10881	0.9
268.20428	0.7
271.04398	3.4
277.10681	1.8
289.11871	1.5
307.13251	3.6
307.16089	0.8
327.07526	0.7
351.11533	0.7
374.14935	0.7
383.13174	6.3
407.12918	0.9
425.14209	35.9
426.14221	1.1
448.96014	0.7
451.17126	1.9
469.13217	100.0
470.13535	2.6
476.47998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03954	12.1
55.01868	4.7
55.05495	2.6
56.96561	1.1
57.03447	1.6
61.02934	2.5
65.03944	5.3
67.05507	10.7
69.03421	2.8
69.07070	1.4
69.61562	7.2
70.06621	6.0
71.05002	1.5
73.69567	0.9
74.34190	1.0
74.54207	0.9
77.03934	1.2
79.05484	3.6
81.03416	3.9
81.07062	11.7
83.04980	1.3
83.08600	1.4
84.08139	2.4
85.02895	4.5
85.06536	3.6
91.05494	7.3
93.07035	2.2
94.04184	1.2
95.04975	69.0
95.08618	3.0
97.02887	1.7
97.06523	2.7
98.20791	2.0
98.97549	2.6
100.11282	2.1
103.05443	2.4
105.03383	3.1
105.04520	4.9
105.07033	4.3
106.04255	1.0
107.04958	3.4
107.08569	2.9
108.02086	2.9
109.02882	1.9
109.06512	2.3
110.03637	1.8
110.07136	1.5
111.04414	2.0
112.88986	1.0
119.05022	2.4
119.08544	1.4
120.08129	7.1
121.02846	3.3
121.06485	1.5
121.10132	2.9
123.04439	83.1
123.11705	4.7
124.07583	1.2
125.02321	1.6
127.03951	1.6
127.07609	1.9
129.10245	1.1
130.06535	3.4
133.02835	3.7
133.06467	1.7
136.05211	1.5
137.05965	6.8
139.03900	1.7
140.04694	23.7
143.08578	1.6
145.02882	1.6
145.53697	1.1
147.04390	3.6
147.11674	4.7
149.05981	2.8
151.03960	2.9
151.07529	2.3
153.05455	2.8
154.06200	1.2
155.07042	46.5
161.05972	2.6
163.03925	2.6
165.05492	8.4
165.12770	7.8
166.06287	1.2
167.07065	22.9
167.08401	0.9
169.10126	1.0
171.06529	1.1
171.07927	1.4
175.03940	2.4
177.05464	8.2
179.03398	1.1
179.07040	2.7
180.07863	2.9
181.04971	26.8
181.06407	1.0
182.05612	1.4
183.06543	100.0
183.13797	7.9
187.07541	2.9
189.09158	1.8
191.07028	1.3
193.04929	4.5
195.06615	5.6
199.07663	1.5
203.07082	1.2
205.08549	1.4
207.06575	5.3
208.07269	10.0
209.08061	5.2
209.16568	1.1
213.09126	2.4
217.08585	2.7
219.06528	1.3
225.07607	18.1
226.08325	5.9
226.44981	1.1
227.09094	1.7
231.10146	1.6
235.09575	1.8
245.59694	1.1
253.21748	1.6
257.17523	7.9
259.09589	3.0
277.10706	16.2
283.06287	1.3
304.12665	1.3
317.08429	1.7
318.11127	1.1
331.11685	1.3
359.11209	1.3
451.32785	1.5
469.12836	8.6
469.18457	5.1
469.33676	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	469.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71950	1.1
52.92565	1.2
53.03950	9.2
55.01862	4.1
55.06054	1.3
61.02908	2.6
65.03928	6.0
67.05504	8.2
69.03426	1.5
70.06587	4.2
70.70978	4.1
71.01347	1.4
77.03938	2.3
79.05470	4.1
81.03400	2.3
81.07068	1.9
83.04955	1.5
85.02893	2.6
91.05466	4.8
93.07039	1.5
95.04971	74.4
97.06507	1.5
98.97651	1.3
105.03418	2.7
105.04504	4.7
107.04947	3.7
109.06514	3.0
110.03674	1.4
111.04448	1.6
119.04936	2.4
120.08089	10.1
121.02869	2.4
121.06483	2.1
123.04433	80.8
127.03857	1.4
133.02850	4.7
137.05963	4.6
140.04675	25.6
145.02858	2.1
147.04333	1.9
149.05965	2.6
151.03894	3.0
151.07510	2.2
153.05472	3.8
155.07031	44.3
161.06099	1.3
163.03923	2.2
165.05478	8.8
165.23456	1.3
166.06332	1.4
167.07065	23.9
167.08466	1.6
175.07536	1.8
177.05544	8.4
179.07051	2.4
179.17850	1.2
180.07820	3.5
181.04968	29.9
181.06503	2.7
183.06532	100.0
184.12079	1.2
187.07527	1.6
193.04973	4.8
195.06517	5.9
207.06596	7.1
208.07358	7.4
209.08061	4.9
213.09068	2.6
217.08650	1.9
225.07591	24.4
226.08447	6.3
259.09692	2.4
271.22675	1.4
277.10825	8.5
289.12814	1.6
299.05484	2.0
300.05933	1.6
321.07587	3.3
329.06564	3.1
330.06918	2.0
349.06970	1.7
375.03677	1.5
379.08182	2.3
385.02078	1.7
433.09244	3.4
451.10208	5.0
469.12228	8.8
469.20267	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	471.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24104	2.5
63.95555	2.7
70.41138	7.0
70.41521	6.2
74.20280	2.4
85.27200	3.4
94.93002	6.2
105.44260	2.6
112.05045	4.0
127.93922	2.9
128.43439	3.0
145.02791	3.3
148.04662	2.9
150.91980	4.1
155.34702	2.8
159.80600	3.0
163.03874	5.2
173.07129	3.6
191.08315	2.9
206.81241	2.7
240.96657	11.1
244.90167	4.1
320.93442	3.2
322.97247	3.1
333.05756	12.4
351.06833	14.9
471.08868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05729	1.1
56.96549	3.2
65.03922	1.5
67.05473	1.3
69.03407	2.6
70.06590	2.1
70.38007	2.3
70.38373	3.7
72.08125	1.4
73.02897	1.3
84.08089	1.1
85.02878	3.4
89.03896	1.6
97.02869	2.3
98.97557	4.9
100.27552	1.4
110.02387	1.2
110.97575	1.5
116.98590	2.0
121.74253	1.2
126.54670	1.3
135.04413	2.0
145.02838	1.4
147.04411	7.0
163.03885	6.6
177.05449	2.6
201.00645	1.1
219.01720	2.2
237.02614	2.1
257.62289	1.2
317.08453	9.7
339.06430	6.0
357.07123	1.4
400.38113	1.2
453.10016	1.6
471.10895	100.0
472.11566	1.8
491.27173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1823
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
50.65846	1.2
55.05511	2.5
56.08365	1.4
56.96566	18.3
58.94243	1.1
66.17147	1.1
67.05501	4.9
69.07060	3.4
69.30301	6.2
69.30723	4.6
71.95266	2.4
72.21555	1.2
72.96066	1.4
79.05493	2.7
81.03402	1.5
81.07053	5.7
84.96043	2.4
85.02914	1.2
91.04016	1.5
91.05472	3.6
93.07035	3.4
95.04978	1.3
95.08635	5.7
97.96846	1.4
98.97571	1.3
101.69113	1.2
102.92619	3.2
105.07018	3.6
107.08613	5.8
109.06519	1.7
109.10181	3.8
110.97591	3.1
111.08088	1.9
118.91376	1.2
118.92058	5.8
119.08627	2.1
121.10155	3.1
123.11673	1.7
128.98602	3.6
131.08572	2.0
133.10146	4.4
135.08083	1.3
135.11697	2.1
136.93124	35.0
136.94141	2.4
137.09656	1.4
141.10522	1.2
145.10103	3.1
146.99722	2.5
147.11687	2.2
149.13326	1.6
154.94176	69.2
157.10135	1.6
159.11794	2.4
161.13326	1.5
170.68048	1.1
172.95244	80.1
177.95773	3.7
183.11633	1.5
185.05128	1.1
189.04295	1.3
190.96284	25.8
192.95764	2.5
195.96901	6.0
198.96689	1.6
210.96800	22.5
212.98373	2.1
227.14604	1.2
228.97856	29.4
233.98396	2.4
246.98970	5.4
251.99641	2.2
279.12729	2.2
287.22415	1.4
315.16296	2.6
317.17886	75.1
318.18246	2.8
333.17441	4.2
335.18915	26.0
357.15625	1.2
358.20581	7.9
397.14432	5.1
411.16388	1.5
453.17160	65.3
453.33392	2.9
454.17651	1.8
471.18240	100.0
472.18524	1.8
494.19843	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	471.2206
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.18196	0.3
54.81283	0.3
55.05518	0.5
57.07055	0.3
67.05494	0.8
69.03423	0.9
69.07059	0.5
70.91579	0.4
70.91925	0.6
74.02436	0.3
79.05518	0.3
81.03418	1.0
81.07054	1.1
85.02919	1.9
87.00840	0.6
91.05467	0.6
93.07044	0.6
93.15495	0.3
95.08624	1.0
97.02886	1.4
97.06561	0.5
99.04478	0.4
105.01834	0.7
105.03383	0.6
105.07039	0.8
107.08600	0.8
107.94930	0.3
109.02871	0.8
109.10147	0.4
119.04910	0.3
119.08595	0.7
125.09602	0.3
126.74170	0.3
127.03862	1.3
131.08627	0.3
133.10146	0.3
135.08015	0.3
137.06006	0.3
137.09680	0.4
145.04958	0.8
147.04482	0.4
159.02928	0.5
163.03900	0.4
165.09102	0.5
167.06912	0.3
203.05383	0.6
207.68402	0.3
223.17056	0.4
230.92558	0.3
231.05017	0.4
259.07962	0.8
309.16812	1.4
333.07935	5.8
335.09552	3.2
417.74295	0.3
471.22055	100.0
472.22311	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	471.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01875	0.4
55.05506	0.7
56.96558	0.6
57.07064	0.3
67.05505	1.5
69.03422	1.0
69.07059	1.1
69.60365	1.5
69.60782	0.7
70.06592	0.4
70.15195	0.3
71.04996	0.7
73.02932	0.3
79.05489	0.8
81.03418	1.0
81.07053	2.1
83.04986	0.9
83.08627	0.5
85.02914	1.3
85.06571	0.4
91.05482	2.2
93.07040	2.0
95.04966	0.6
95.08630	2.0
97.02900	0.8
97.06504	0.7
98.21515	0.4
98.97633	0.6
101.32368	0.3
105.07038	1.5
107.04940	0.6
107.08589	1.4
109.02879	0.6
109.06508	0.8
109.10178	1.9
117.07011	0.4
119.04957	0.9
119.08591	1.3
120.71931	0.4
121.10144	1.4
123.08024	0.5
123.11687	0.6
125.09629	0.5
127.03946	0.5
131.08591	0.9
133.10121	1.1
135.08067	0.6
135.11737	0.9
137.05963	0.4
137.09651	0.9
145.10167	0.9
147.04417	2.7
147.11693	1.0
149.09579	0.6
149.13307	0.7
151.11194	1.1
157.10106	0.5
159.11732	0.8
161.13222	0.5
163.11159	0.4
163.14877	0.4
165.09123	1.3
167.07137	0.4
175.03871	0.5
175.07495	0.5
177.05469	0.4
185.13252	0.6
187.14822	0.5
191.14357	1.2
205.08420	0.3
207.06538	0.4
209.15433	1.3
211.87012	0.3
223.16922	0.7
308.12888	0.5
309.16733	1.7
325.15573	0.4
367.18802	0.3
453.33652	0.4
471.22028	100.0
472.22336	2.6
476.80338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05507	0.6
56.96563	0.5
57.03431	0.3
61.02938	0.2
61.59469	0.2
61.99779	0.2
62.28314	0.2
65.03934	0.2
67.05508	0.8
69.03424	0.8
69.07059	0.7
70.06585	0.2
71.04992	0.3
71.61131	0.2
75.55200	0.2
78.47844	0.2
79.05486	0.7
81.03413	0.8
81.07076	1.6
83.04973	0.4
83.08626	0.3
85.02906	1.3
87.00857	0.3
91.05489	0.9
93.07077	0.9
95.04974	0.5
95.08618	1.2
97.02904	0.6
97.06536	0.7
97.10193	0.3
98.06018	0.2
98.97580	0.3
99.04466	0.2
103.05510	0.2
105.01836	0.3
105.03398	1.0
105.07027	1.3
107.04974	0.3
107.08600	1.0
109.02863	0.7
109.06501	0.4
109.10162	1.2
111.04465	0.3
111.08073	0.2
117.95042	0.2
119.04967	0.2
119.08582	0.7
121.06481	0.2
121.10149	1.0
123.08068	0.6
123.11698	0.4
125.09594	0.3
127.03909	1.0
131.04950	0.2
131.08607	0.4
131.37598	0.2
133.10155	0.8
135.08043	0.4
137.05969	0.3
137.09615	0.8
143.08554	0.3
145.04945	0.7
145.10124	0.6
147.04419	0.7
147.11714	0.5
151.11160	0.2
157.10118	0.3
159.11703	0.4
161.13307	0.2
163.03934	0.4
165.09132	1.0
167.07022	0.3
177.05528	0.2
185.04428	0.2
189.09058	0.5
201.00764	0.2
203.05226	1.0
215.07225	0.2
215.10979	0.2
223.16930	0.7
259.07974	0.6
267.21640	0.2
271.13730	0.2
309.16745	1.3
309.27832	0.2
333.07919	5.9
335.09515	3.1
453.34192	0.2
471.22046	100.0
472.22351	2.8
488.44553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Lippiolide
Peak:m/z	Relative Intensity
53.03934	0.9
53.72471	0.9
55.05522	2.0
57.07083	1.2
66.51221	0.9
67.05505	4.3
69.07076	8.2
69.77386	5.9
71.01366	1.2
72.04512	2.1
72.85949	1.0
73.04813	1.1
79.05495	3.7
81.07061	12.8
83.08636	1.7
89.95767	0.9
91.05494	3.2
93.07066	5.3
95.04979	1.7
95.08614	15.4
97.06532	1.2
97.10159	2.1
98.20782	2.0
105.07055	5.6
107.08613	9.9
109.06509	1.1
109.10175	9.9
111.11720	1.8
119.08591	8.8
121.06553	1.7
121.10149	8.1
123.08124	1.4
123.11714	9.4
125.09628	1.0
131.08606	3.2
133.10129	5.5
135.08060	3.1
135.11694	5.1
136.95975	1.0
137.09724	1.1
137.13283	4.3
139.07513	0.9
143.08601	2.3
145.10135	5.1
147.11729	5.9
149.09657	1.5
149.13258	1.9
151.11140	2.4
157.10170	4.0
159.11697	3.1
161.09569	1.7
161.13223	5.2
163.11180	6.0
163.14839	1.7
171.11742	3.7
173.09700	1.6
173.13258	3.6
175.11212	2.1
175.14876	2.8
177.16449	1.2
180.15843	0.9
183.11620	1.6
185.13306	2.6
187.11192	2.3
187.14825	2.1
189.16389	1.7
191.18004	3.3
195.69263	1.1
199.14868	2.3
201.12817	1.4
201.16425	2.0
203.14388	1.5
203.18056	2.1
204.68932	0.9
205.15961	1.1
205.19542	1.7
211.14990	1.1
213.16382	5.3
214.43445	0.9
215.14433	3.3
215.17998	1.6
217.15887	1.4
217.19434	1.4
219.17520	2.7
224.86563	1.0
231.17537	4.3
233.19016	1.5
241.19629	1.6
243.21133	1.9
245.19087	2.2
251.18228	1.1
255.17514	1.1
255.21086	2.2
257.22452	1.0
259.20636	4.0
300.64789	1.0
339.26968	3.4
340.27606	1.5
341.28491	2.0
351.30429	7.9
353.28656	2.6
368.30838	2.2
369.31573	29.4
383.33145	4.0
384.49713	1.0
393.31458	4.8
407.33102	1.3
411.32599	100.0
412.33188	3.5
435.32632	3.8
453.33688	16.4
471.34796	62.1
472.34769	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	472.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.9
55.01875	11.0
55.05506	1.9
57.03437	6.5
58.82417	1.2
61.02931	9.1
67.05510	1.4
68.99784	3.5
69.03068	2.3
69.03430	38.2
70.06596	1.6
70.37453	3.4
70.37795	1.5
71.01347	1.4
71.05000	9.0
71.20501	1.1
73.02912	10.4
79.05486	2.9
81.03420	36.2
81.03901	2.3
81.07037	1.4
83.04995	1.8
85.02907	100.0
85.06537	3.8
87.00828	44.2
91.03972	2.8
97.02895	62.1
98.97583	1.6
99.04460	20.0
105.01870	55.5
105.03388	24.2
109.02885	35.2
115.03918	1.5
117.01857	5.2
123.04415	4.2
127.03918	93.2
129.01855	5.1
143.26337	1.4
145.04959	60.0
147.02870	3.5
159.02892	25.5
163.03964	1.5
177.04027	1.4
189.03937	1.3
189.09071	4.1
193.08516	1.9
193.15753	1.3
211.09520	1.6
213.03990	4.9
231.05006	20.6
249.06059	4.9
271.54950	1.2
315.10980	1.6
333.08115	1.2
334.08273	1.8
472.22363	34.5
473.14090	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	472.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.96566	1.2
58.06604	4.9
58.26231	0.5
59.07386	4.7
61.02898	0.5
62.51402	0.5
69.03416	0.8
70.06585	1.5
71.58945	0.8
72.08145	1.1
81.03422	0.6
84.08167	0.8
85.02902	2.3
89.03931	1.0
97.02872	0.8
98.97578	2.0
101.63074	0.5
110.60286	0.5
116.98671	1.0
118.08664	100.0
119.09000	0.7
127.03905	0.8
133.06482	0.6
135.04427	0.7
136.06273	1.1
137.05986	0.8
143.00198	0.7
145.02788	0.6
156.02109	0.5
161.03065	0.6
163.03949	4.2
167.07060	0.8
176.07059	0.8
177.05463	1.2
178.05052	0.9
187.57997	0.5
229.88124	0.5
261.02756	0.6
301.07843	0.7
454.26147	0.8
472.27127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.02370	1.2
55.05515	11.3
57.07058	5.7
65.03945	2.1
67.05163	1.6
67.05511	28.0
69.06716	1.9
69.07075	36.2
71.04997	3.9
71.08614	1.3
79.05496	9.1
81.07059	50.3
83.05002	3.1
83.08609	11.1
85.06548	2.3
91.05473	7.8
93.07063	21.0
95.04965	3.4
95.08614	100.0
97.06530	2.6
97.10162	6.9
98.20747	4.5
99.08085	2.6
105.07028	8.9
107.08597	34.3
109.06497	2.6
109.10162	81.3
110.10500	2.6
111.08080	2.6
111.11732	16.9
113.09653	27.8
117.07036	1.6
119.08576	14.0
121.09304	2.1
121.10157	28.7
123.08102	7.7
123.11715	43.2
125.13235	1.6
127.07545	1.8
131.08559	3.6
133.10130	8.9
135.08026	3.7
135.11705	23.7
137.09607	2.6
137.13257	16.1
139.07515	3.2
141.09116	36.5
143.08492	2.2
145.10129	6.7
147.08110	1.6
147.11668	7.2
149.09602	3.8
149.13264	22.1
151.11163	2.2
151.14807	5.6
153.09062	4.9
157.10100	3.9
159.11681	5.1
161.13258	6.7
163.11189	2.1
163.14830	27.3
165.12772	1.7
165.16400	1.8
171.11607	1.5
173.09636	1.6
173.13268	4.8
175.11191	1.4
175.14839	3.9
177.12819	1.7
177.16428	8.7
179.17937	1.8
181.12213	2.2
183.11545	1.3
185.13289	2.6
187.14940	3.8
189.12674	2.6
189.16368	3.5
191.14326	2.6
191.17918	4.6
195.13837	6.9
201.16487	2.5
203.17934	3.8
205.15826	2.5
205.19533	14.9
207.13757	1.9
209.15401	5.1
217.19505	1.6
219.17471	1.2
219.21144	8.1
221.15504	2.2
223.16907	6.3
229.74356	1.3
233.15358	1.6
237.18628	1.9
263.20078	2.9
273.25830	10.4
287.27264	2.4
289.21701	1.5
315.26831	3.2
333.27893	16.7
409.34656	3.9
427.35965	9.2
437.34235	4.3
445.37042	1.5
455.35352	61.4
456.35605	2.7
473.25342	2.9
473.35144	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05515	9.8
57.07079	10.6
65.75499	2.8
67.05504	20.0
69.07072	42.2
69.48325	12.9
69.48737	4.9
79.05498	9.8
80.85489	2.4
81.07060	36.9
81.38548	2.6
83.08625	6.4
86.55282	2.1
91.05506	7.3
92.52433	2.2
93.07054	19.8
95.08609	100.0
97.10207	5.0
98.21465	4.0
99.37128	2.6
105.07061	6.6
107.08600	31.6
107.09277	3.1
109.06551	3.0
109.10163	58.1
111.11739	24.3
119.08608	8.7
121.10140	27.1
123.08157	4.6
123.11710	20.5
133.10173	8.6
135.08115	2.9
135.11688	18.2
137.13281	7.8
145.10208	3.7
147.11725	8.4
149.13264	18.9
159.11722	4.4
161.13315	7.2
163.14848	23.1
167.10770	3.9
173.03714	4.3
173.13347	4.6
175.14891	3.4
177.16399	4.5
187.14871	4.5
189.16446	3.1
191.14288	2.5
191.18005	11.7
193.12260	3.3
201.16425	3.4
205.16177	3.2
205.19513	23.4
213.16519	2.7
215.17973	2.8
217.19664	3.9
219.21078	20.9
229.19476	2.6
237.15025	7.7
249.06793	26.2
255.16019	10.4
258.42163	2.5
269.17709	3.3
271.24338	4.6
305.12976	14.9
313.25662	3.2
331.26315	14.0
361.19321	26.2
385.31290	3.2
405.44968	2.7
413.34189	3.5
417.25613	17.8
427.35770	2.5
437.34631	5.8
455.35110	17.5
473.36356	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83802	0.8
52.53353	0.9
53.03941	7.0
55.01861	2.6
55.04430	0.8
57.03440	11.1
59.01379	1.5
60.04517	2.5
61.02925	1.2
65.39195	1.1
67.05494	1.6
68.99815	4.2
69.03436	22.2
69.07057	1.0
71.04982	4.0
71.46478	1.7
73.02901	3.8
79.05465	3.0
80.05002	2.0
81.02973	1.4
81.03423	25.9
81.07067	2.0
83.01333	1.5
83.04971	1.1
85.02415	1.4
85.02907	24.7
85.35716	0.8
87.00817	3.3
87.04475	1.0
91.05473	2.0
93.07064	1.4
95.04973	1.5
95.07579	0.8
95.08630	2.2
97.02901	33.5
97.06493	1.3
98.06047	1.2
99.04478	9.3
101.02384	62.0
103.05463	1.1
105.07037	3.6
107.04375	1.2
107.04964	12.0
107.08545	1.4
108.04491	16.4
109.02883	32.9
109.06520	2.7
115.05495	1.0
119.03423	100.0
121.10081	1.0
123.04398	0.9
123.08051	1.6
126.05519	5.6
127.03922	33.3
131.03416	12.3
135.08040	5.1
144.06563	1.1
145.04955	14.2
157.82324	0.9
161.04410	1.9
163.06471	1.0
163.07576	12.3
165.09084	4.1
167.07047	4.8
173.03065	1.5
173.04475	21.5
173.13190	1.4
187.07458	0.9
191.14244	2.5
195.10178	30.7
197.04485	1.6
203.05560	1.5
205.08612	1.7
207.10135	2.4
209.15280	1.2
226.07037	1.5
227.05455	4.0
244.08073	2.2
245.06653	9.3
262.09302	2.9
263.07571	1.4
285.11212	1.0
285.20398	1.0
303.12097	1.5
377.87268	0.9
474.31906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81913	1.8
53.03944	4.6
55.01866	5.5
55.05515	4.4
56.96566	2.4
57.03437	3.4
60.63438	1.7
61.01634	1.7
61.02931	2.9
65.03951	2.1
66.39722	1.7
67.05500	8.0
69.03428	15.6
69.07074	81.0
70.06596	2.1
71.05016	3.3
71.59449	2.0
73.02921	2.2
79.05499	18.0
81.03439	12.9
81.07055	7.3
83.08615	2.7
85.02911	26.4
86.09694	2.0
87.00828	11.7
87.08113	100.0
91.05487	14.2
92.45544	1.9
93.05448	1.8
93.07066	5.4
94.07396	3.5
95.04966	4.4
95.08604	7.7
97.02912	12.2
97.10177	2.5
98.06871	2.0
98.97600	3.5
99.04466	4.2
100.77401	2.2
105.01897	13.5
105.03395	47.8
105.07040	7.6
107.08601	5.6
109.02894	9.7
109.10164	6.0
119.08604	5.3
121.10163	7.8
122.10470	3.3
123.04435	45.0
123.08099	2.2
126.51973	2.0
127.03955	16.7
131.08540	3.2
133.10103	2.6
135.08015	2.2
137.05954	3.4
139.60611	2.2
145.04997	5.6
147.04388	2.4
149.09630	10.4
159.02888	3.6
165.09134	5.2
170.27165	2.3
172.14394	2.1
177.05453	2.8
181.05092	2.2
191.10681	17.4
198.13879	1.9
198.25481	1.8
206.19766	2.1
209.11729	35.0
216.41472	2.2
231.05051	2.5
302.67972	2.4
395.60660	1.8
438.34393	2.9
474.14511	6.4
474.36157	2.2
475.27023	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
55.05505	2.4
57.03435	3.0
63.93150	2.0
65.74477	2.0
67.05505	5.0
69.03437	45.1
69.07058	5.5
69.30717	20.9
70.06569	3.0
70.98889	1.8
71.04987	2.6
79.05489	4.7
81.03425	5.7
81.07074	9.5
83.04974	4.2
83.08619	2.1
84.08126	2.2
85.02910	15.4
86.09724	2.1
87.00817	6.2
91.05473	5.3
93.07037	7.0
95.08602	6.2
97.02893	5.1
97.06535	4.1
99.04433	2.3
104.58995	2.1
105.01881	5.1
105.07050	4.7
107.08601	15.6
109.02880	6.2
109.06524	4.7
109.10154	3.3
111.08079	3.5
119.08601	4.7
120.08896	2.4
121.06513	3.4
121.10154	10.5
123.08084	2.7
123.11713	4.8
125.09647	19.6
127.03936	10.5
130.05084	2.1
131.08531	5.4
133.10143	6.3
135.08054	7.7
135.11722	5.1
137.61092	2.4
145.04982	4.1
145.10103	6.4
147.04539	2.0
147.11757	4.8
149.09599	6.8
149.13245	4.2
153.09091	7.1
158.10896	3.1
159.02953	2.5
161.09592	2.6
163.11192	3.5
163.14859	4.3
165.09111	5.6
165.12781	3.0
167.07063	2.2
173.13263	17.7
191.14323	68.3
207.06540	2.8
208.14128	3.1
209.15378	100.0
325.16702	1.9
360.15909	2.4
363.48721	1.9
474.14383	3.0
474.32632	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	475.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
53.42830	0.6
55.01871	1.4
55.05501	1.4
56.96561	1.1
57.03424	1.2
65.03944	6.9
67.05500	3.3
67.87106	0.6
68.99776	1.2
69.03424	1.6
69.07066	1.3
69.85927	3.2
71.04976	0.6
79.05480	2.9
81.03415	2.5
81.07041	4.0
83.04991	1.0
83.08613	1.1
85.02911	2.4
85.06541	0.8
87.00824	1.4
91.05484	100.0
92.05827	1.0
93.03405	4.2
93.07037	3.0
95.04972	2.4
95.08625	3.9
97.02895	2.4
97.06548	0.7
97.10166	1.0
103.05447	0.7
105.03374	0.6
105.07027	5.5
107.04958	1.7
107.08593	2.4
109.02880	1.1
109.06511	0.8
109.10152	2.7
115.05446	1.0
119.04961	0.9
119.08595	1.5
121.02883	0.8
121.06535	0.8
121.10146	1.6
123.08083	0.7
123.11681	0.8
125.06013	0.8
125.09624	0.8
127.03900	0.7
129.01826	0.9
129.07045	1.1
131.08569	1.1
133.06516	1.1
133.10118	1.4
135.08156	0.7
135.11656	0.7
137.05956	0.7
137.09615	1.8
143.08559	0.6
145.06567	0.7
145.10126	1.3
147.02867	0.7
147.04437	2.0
147.07997	0.8
147.11653	1.0
149.02315	1.2
149.06012	0.8
149.13219	0.9
151.11150	0.6
157.10109	0.7
161.02382	1.1
161.06012	1.5
163.03955	0.9
165.09131	7.6
165.43542	0.6
167.03406	1.6
167.07080	0.9
167.08597	0.6
173.02341	1.4
173.33966	0.7
175.03926	1.6
177.09201	0.7
178.07782	0.6
179.03392	1.5
179.07201	0.6
181.01375	0.9
181.10074	0.8
191.03387	5.6
191.08591	0.6
193.04892	0.9
201.05734	0.7
203.03357	3.4
204.09393	0.6
205.04953	0.7
205.12270	0.6
209.11665	0.7
211.51424	0.6
213.05504	0.6
215.03494	2.4
217.04974	0.8
221.01190	0.7
221.09625	0.7
224.05400	0.6
229.04996	1.4
233.04404	6.4
237.09174	0.8
239.06972	3.4
245.04497	2.3
251.07088	1.7
257.04544	2.6
257.08017	3.4
263.05347	0.8
265.08640	1.4
269.08124	2.2
275.05539	1.8
279.10178	1.7
281.08176	1.4
293.08099	14.9
303.19666	0.9
307.09677	1.1
311.09091	6.9
317.08221	2.4
322.83087	0.7
322.86703	0.7
323.09241	2.7
335.09167	20.2
336.09503	0.8
353.10184	6.6
371.11337	1.1
383.22186	1.1
394.70871	0.7
409.09082	0.9
421.09467	0.9
439.10303	5.4
457.11227	2.7
475.20740	1.2
475.27008	1.7
475.33011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01865	1.7
55.05505	2.1
67.05508	1.5
67.52160	0.9
68.46445	1.0
69.03416	5.4
69.07063	1.1
70.06602	2.9
71.04979	1.3
71.32870	1.2
71.33198	1.5
72.08154	1.3
77.30618	0.9
77.75795	0.9
79.05482	1.4
81.03417	4.0
81.04503	1.0
81.07051	1.5
83.04977	1.2
84.08119	1.2
85.02912	7.1
86.09708	2.2
87.00831	2.2
91.05482	4.0
93.07051	4.5
95.04971	1.4
95.08622	1.9
97.02879	2.6
98.97562	1.1
99.04471	1.2
99.08090	1.1
105.07024	3.4
107.04937	1.4
107.08593	4.7
109.02901	2.1
109.06543	1.9
109.10135	2.4
119.04918	2.3
119.08636	0.9
119.50739	0.8
121.02843	1.0
121.10127	5.4
125.09622	5.0
127.03917	4.0
131.04951	1.1
133.10126	2.2
137.05998	1.1
137.09619	1.7
145.02882	2.0
145.04970	1.4
147.04416	2.1
149.09618	100.0
150.10052	1.2
151.03934	1.3
151.11195	1.8
153.09097	1.6
159.02916	1.1
163.03879	1.0
167.06984	0.9
173.13342	1.2
175.03896	1.8
177.05492	3.4
181.04906	1.7
191.14278	7.9
202.05769	1.1
207.06514	3.9
209.15349	24.4
227.16447	3.1
236.28070	1.0
313.07083	1.6
410.28586	1.0
411.20425	1.3
439.10211	1.4
475.11804	3.3
475.25815	17.3
475.32333	2.4
499.33893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09767	0.3
53.03922	0.7
55.01866	0.7
55.05506	0.8
57.03434	0.5
61.02913	0.5
64.46172	0.3
67.05488	0.8
69.03435	3.4
69.07072	0.5
70.06585	1.3
71.04997	0.6
71.61060	0.6
72.08174	0.6
79.05484	1.5
79.64298	0.4
81.03423	2.0
81.07085	0.8
82.29473	0.3
83.04967	0.4
84.08112	0.9
85.02908	5.8
86.09702	1.3
87.00846	1.7
91.05484	2.5
93.07051	3.0
95.04933	0.4
95.08598	0.8
97.02919	2.0
97.55779	0.4
98.97594	0.7
99.04458	1.2
101.34117	0.4
105.01867	1.0
105.07054	2.2
106.85278	0.4
107.04944	0.5
107.08596	1.9
109.02905	1.8
109.06535	0.9
109.10167	0.6
119.04948	2.2
119.08572	1.0
121.10144	4.2
123.08066	0.4
123.64340	0.4
125.09743	0.4
127.03909	2.9
131.08565	0.5
133.10132	1.1
135.04433	0.5
135.08081	1.0
137.05930	0.8
137.09612	1.4
138.36769	0.4
145.02873	0.7
145.04974	1.4
145.10117	0.4
147.04457	2.3
147.05536	0.4
149.09622	100.0
150.09978	1.0
151.03944	0.4
151.11200	0.9
154.17628	0.4
159.02933	0.5
167.07004	0.6
175.03937	2.6
177.05505	2.0
191.14308	6.1
201.05539	0.8
207.06532	5.7
209.15369	12.1
227.16432	1.7
270.94058	0.4
277.47650	0.4
313.07117	0.4
313.11887	0.6
325.07129	1.5
355.07962	0.7
379.07974	0.5
445.14853	0.4
475.20108	0.4
475.24814	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01865	1.5
55.05509	3.3
56.96542	0.8
57.03422	1.7
57.07076	1.1
67.05498	1.9
68.77439	0.7
69.03434	4.8
69.07059	3.4
69.28506	4.3
69.28930	3.1
70.06588	3.1
70.82255	0.7
70.85693	0.7
71.04986	2.9
72.08138	1.5
79.05486	3.1
81.03409	5.4
81.07070	4.3
83.01340	2.5
83.04980	2.5
83.08626	1.3
84.08134	1.1
85.02905	7.9
85.06542	2.6
86.09717	3.8
87.00826	3.0
88.03976	0.8
91.05471	3.2
93.07066	4.5
95.08629	3.6
97.02897	3.1
97.06519	3.8
99.04458	6.7
99.08103	9.7
101.06030	1.5
105.01837	1.1
105.07050	2.9
107.04978	1.0
107.08598	6.5
109.02897	4.7
109.06514	2.7
109.10173	3.3
111.08092	1.9
119.08591	1.7
120.08163	0.8
121.02871	1.4
121.04032	0.9
121.06577	1.2
121.10157	7.0
123.08093	2.7
123.11703	1.6
125.09651	3.8
127.03929	6.1
131.08597	1.5
133.10152	6.2
135.08090	2.4
135.11673	1.4
137.05981	1.2
137.09595	1.7
139.07573	1.8
139.11156	1.2
145.02896	1.6
145.04944	1.0
147.04443	1.8
147.11699	1.1
149.09605	8.9
149.13242	3.0
151.03911	1.1
151.11177	3.8
153.09102	1.8
159.02895	1.8
163.14856	4.2
167.10539	1.1
173.13232	4.1
177.05489	3.3
181.15924	1.3
183.13773	1.7
191.14279	8.1
193.08588	0.9
205.04741	2.9
207.06516	1.7
209.15385	48.3
209.60033	0.9
227.16446	10.9
250.08215	1.3
295.05618	1.3
313.07007	3.6
386.07031	0.9
411.19180	0.9
457.24615	0.8
475.15402	2.5
475.21631	3.3
475.32602	100.0
476.32843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01869	1.2
55.05508	1.6
55.51503	0.5
57.03436	1.0
67.05520	1.3
69.03437	4.1
69.07077	1.2
69.24757	2.3
69.25187	2.8
70.06583	1.4
71.04996	3.2
79.05502	1.8
81.03414	3.1
81.07053	1.8
83.08624	0.6
85.02904	7.7
85.06554	1.4
87.00849	2.8
91.05487	2.0
93.07038	3.9
95.04977	1.7
95.08601	1.9
97.02882	3.0
97.06551	0.9
98.97572	1.0
99.04462	8.1
99.08119	0.5
105.01873	2.1
105.07038	3.3
107.04934	0.7
107.08600	3.1
109.02884	2.1
109.06525	2.4
109.10149	2.0
119.08577	1.9
121.10152	5.5
123.08073	1.7
123.11712	1.0
127.03937	3.8
129.01892	0.6
129.07086	0.6
131.08578	1.0
133.10138	4.6
135.08064	1.5
135.11693	0.8
137.09641	1.4
139.11177	0.6
145.04985	1.4
145.10184	0.5
147.11690	1.6
149.09628	100.0
150.09961	0.9
151.03967	0.6
151.11191	0.9
153.09154	0.6
159.02896	1.3
165.12718	0.6
167.07014	0.6
169.12260	1.3
173.13266	2.2
183.13832	2.3
191.14323	8.2
209.15398	14.9
227.16399	9.6
312.29330	0.6
399.66791	0.6
471.59686	0.6
475.21323	0.8
475.32843	3.6
504.39233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2693
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
51.98495	1.7
52.53506	1.3
53.03936	5.6
54.67090	1.4
55.01883	11.9
55.05260	2.0
55.05515	32.3
56.96603	1.4
57.03419	6.1
65.03936	2.7
67.05164	2.0
67.05507	38.6
69.03419	5.7
69.07082	15.2
70.21477	6.3
71.04981	4.0
72.04490	2.7
79.05498	40.7
81.03419	19.0
81.07058	34.8
83.04987	8.0
83.08619	15.9
84.08134	1.8
85.02894	1.9
85.06519	1.7
90.05579	1.5
91.04958	1.9
91.05484	27.3
93.07046	23.9
95.04970	16.0
95.08048	1.7
95.08611	21.9
97.02856	2.8
97.06522	5.6
97.10173	22.9
99.08076	2.0
102.03756	2.5
103.05465	2.9
105.03384	1.7
105.07040	22.8
107.04962	13.2
107.08603	20.5
109.02892	9.7
109.06490	4.2
109.10173	19.5
111.04429	1.9
111.08081	3.5
115.05448	5.0
117.07021	11.8
119.04924	4.8
119.08583	16.4
121.02863	2.7
121.06508	11.5
121.10143	9.7
123.04440	4.1
123.08067	8.3
123.11673	4.1
125.02351	3.6
125.05991	1.8
125.09636	12.2
127.03942	1.8
128.06219	4.1
129.07039	14.2
129.18799	1.6
131.04924	6.1
131.08557	13.5
133.06496	9.9
133.10162	9.0
135.04401	4.3
135.08072	6.8
135.11728	8.3
137.05963	3.0
137.09633	2.2
137.13234	1.9
139.07529	1.7
141.06976	4.4
142.07773	2.0
143.08580	7.8
145.06482	12.9
145.10109	16.0
147.04385	7.0
147.08076	8.6
147.11752	7.2
149.06055	2.2
149.07442	3.4
149.09618	6.6
149.13120	1.6
151.07526	2.9
151.11201	2.0
153.09143	1.6
155.08548	6.2
157.06479	5.8
157.10078	7.8
159.08041	6.4
159.11673	5.4
160.05153	3.9
161.05988	26.6
161.09624	4.6
161.13268	3.5
163.07497	1.9
163.11201	8.8
165.07022	2.0
165.09178	7.8
165.12697	2.2
167.07133	1.7
167.08557	3.8
168.12531	1.6
169.06477	2.5
169.10132	4.3
171.08058	7.1
171.11707	3.6
173.06067	7.6
173.09579	9.1
173.11845	2.3
173.13237	3.2
175.07541	4.9
175.11166	5.4
179.08566	2.5
179.10579	1.4
181.10107	2.4
181.12221	2.0
183.08026	3.9
183.11748	4.6
185.05951	1.9
185.09657	4.4
185.13287	4.2
187.07578	4.4
187.11160	2.8
187.14786	1.6
189.09131	4.0
189.11224	5.5
191.10738	4.3
193.10376	1.8
193.12279	4.5
195.08115	2.1
195.11684	4.2
197.09656	3.4
197.13348	2.4
199.11183	1.8
201.09190	2.3
201.12825	2.9
203.14337	2.8
205.12222	2.5
211.11221	5.2
213.12709	3.1
225.12740	4.5
227.12715	2.2
229.12300	3.0
231.13835	6.9
237.11162	2.5
239.10655	1.9
243.13805	7.0
249.14977	2.8
251.14223	1.9
253.12123	2.4
257.15430	1.8
259.13284	1.9
261.71390	1.7
269.15332	5.0
271.13281	5.7
273.14850	8.1
285.14841	2.2
287.16461	4.0
289.14407	15.1
299.16501	2.2
303.16058	2.7
311.16428	2.3
337.21722	3.7
345.22107	6.3
347.20166	2.8
355.22626	6.2
365.21130	22.3
383.22189	84.2
401.23242	34.6
403.22491	2.5
411.25592	1.7
419.24008	3.6
421.23737	6.1
429.26376	1.8
431.24222	7.7
439.24652	11.6
457.25870	62.0
458.26282	2.7
475.26852	100.0
476.27216	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	475.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01867	3.5
55.05522	12.3
57.03443	21.9
57.07080	50.1
61.02929	60.9
63.74196	1.4
67.05508	18.9
67.90224	1.4
69.03434	28.6
69.07071	15.1
69.66797	8.4
71.01351	5.4
71.04979	4.9
71.08635	39.2
73.02547	1.9
73.02924	24.5
75.04423	1.7
79.05485	5.8
81.03420	21.2
81.07065	25.4
83.01329	2.3
83.04974	2.3
83.08622	19.0
85.02411	3.1
85.02911	59.2
85.10192	19.8
87.04475	3.6
91.03967	36.3
91.05481	3.6
93.07045	7.2
95.04965	1.9
95.08610	38.7
97.02898	52.7
97.03503	3.7
97.10161	8.0
98.20744	3.4
99.04486	9.2
99.08108	1.7
99.11700	3.3
101.02377	10.7
103.03960	10.3
105.07021	3.2
107.08591	3.1
109.02882	10.2
109.06527	3.4
109.10167	18.4
115.03941	4.5
117.05521	3.9
117.06987	1.7
119.08585	2.5
121.10153	3.5
123.11688	8.5
125.13307	2.5
127.03917	25.3
129.05505	4.5
131.08560	1.6
135.11658	2.7
137.13266	2.3
145.04982	8.9
145.10144	1.9
147.11647	2.4
155.63104	1.5
159.06537	2.4
183.06590	6.2
201.07538	5.7
221.22691	2.6
222.64738	1.5
233.61096	1.5
239.21352	1.7
239.23715	31.0
257.24713	3.6
313.27386	100.0
341.26947	4.5
383.27780	2.0
385.44467	1.7
457.31381	5.5
475.32950	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	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59874	0.3
53.03946	1.1
55.01868	1.1
55.05519	4.1
56.96570	0.4
57.03442	0.7
57.07071	1.3
61.02916	0.3
65.03936	0.3
67.05512	8.2
69.03430	1.2
69.07084	3.2
70.65195	1.2
71.04999	0.6
75.57763	0.3
79.05497	4.0
81.03429	4.4
81.07066	8.3
83.04978	1.6
83.08643	2.8
85.02914	0.9
85.06530	0.8
91.05479	4.3
93.07050	4.0
95.04973	2.7
95.08034	0.6
95.08620	8.4
97.02901	0.8
97.06523	0.9
97.10189	1.6
100.11263	0.4
101.06029	0.3
105.03398	1.4
105.07040	3.0
107.04971	2.0
107.08617	4.0
109.02889	0.9
109.06525	0.9
109.10162	7.8
111.04460	0.5
111.08119	0.9
111.11722	0.6
115.05488	0.4
117.07030	1.1
119.06528	0.3
119.08590	4.2
121.06509	1.4
121.10184	2.2
122.07308	1.7
123.11699	1.6
125.05999	0.5
125.09619	0.9
129.07021	1.3
131.04947	0.6
131.08585	1.5
133.03128	0.4
133.06456	0.6
133.10127	1.4
135.04404	0.5
135.08047	1.4
135.11723	3.1
137.09631	11.3
137.13239	0.6
139.11165	0.4
143.08601	0.7
145.06468	0.6
145.10155	2.1
147.04373	0.4
147.08025	0.7
147.11691	0.6
149.06042	0.6
149.09634	4.2
149.13246	1.2
151.07538	0.6
151.14851	1.0
153.09145	0.5
153.12743	0.6
155.08542	0.6
157.06537	0.4
157.10144	0.7
159.08069	0.6
159.10199	1.0
159.11728	1.0
160.10504	0.6
161.06013	1.5
161.09647	0.7
161.13330	0.4
163.11230	2.9
165.09132	100.0
166.09550	0.3
167.07021	0.4
167.14352	0.5
171.08052	0.4
173.09679	0.6
175.11198	0.7
177.05476	0.5
177.09123	1.2
177.12682	0.4
179.07014	0.9
179.10733	1.0
180.07442	0.5
181.04994	0.4
181.12256	0.9
187.07521	0.5
187.11214	0.5
189.09171	0.5
191.10655	0.6
193.12234	1.4
201.12642	0.3
203.10622	0.8
205.12267	5.1
209.11760	0.6
227.12743	4.0
231.13666	0.4
243.13861	0.5
264.13263	0.6
269.15567	0.4
289.14313	0.7
323.25821	0.8
333.98276	0.4
343.11984	0.4
365.21118	0.8
366.38721	0.4
383.22195	4.6
401.23175	1.5
411.32739	0.5
421.23450	0.5
429.33450	1.0
431.24286	0.6
439.24539	0.5
439.31989	0.5
457.25555	3.1
475.26776	8.7
475.32587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3787
Annotation	Machaeroceric acid
Peak:m/z	Relative Intensity
53.03946	0.8
55.05512	6.9
57.07060	2.4
57.78831	0.5
59.04997	0.8
59.77760	0.5
62.78682	0.5
67.05165	0.7
67.05512	10.0
69.03429	1.4
69.06720	0.6
69.07074	9.6
69.50443	2.3
69.50868	2.1
71.05003	1.2
71.08636	0.9
79.05495	5.4
81.07064	20.7
83.04980	1.5
83.08628	8.0
85.06532	1.8
91.05472	2.5
93.07051	10.7
95.04984	2.0
95.08614	31.7
97.06543	1.2
97.10194	3.4
99.08085	0.8
101.06013	0.9
105.07030	6.0
106.07391	0.6
107.08603	29.6
107.76894	0.5
109.06512	1.1
109.10164	32.3
111.08085	2.0
111.11730	3.5
113.09663	0.6
119.08572	4.7
121.10151	13.0
123.08109	0.9
123.11725	7.1
125.05940	0.6
125.09635	33.0
127.11202	0.9
131.08594	1.3
133.10130	3.9
135.11728	7.8
137.13257	4.9
139.81236	0.5
143.07022	0.8
143.10718	2.8
145.10112	1.5
147.11707	2.8
149.13249	6.0
151.14862	0.9
153.09113	7.5
157.10077	0.6
159.11705	1.8
161.13297	1.6
163.11125	0.8
163.14842	3.9
171.10175	100.0
172.10519	1.0
173.13327	1.5
175.14832	2.1
177.16409	3.0
182.39220	0.5
187.14917	0.6
189.16373	1.0
191.14388	0.6
191.17963	3.9
201.16345	0.7
203.17973	1.5
205.19543	6.4
215.17964	0.7
217.19548	1.2
219.21049	1.0
221.15332	0.9
231.21072	1.6
247.16887	0.7
251.04672	1.9
265.17841	0.7
269.85153	0.6
287.27328	3.8
363.17154	2.0
369.31790	0.6
387.32535	1.0
411.36682	0.6
419.23956	0.6
429.34021	1.3
439.35690	1.1
457.36942	5.1
475.31958	9.8
475.37823	4.5
476.32370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3788
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
55.05513	13.4
67.05509	25.4
69.05132	2.5
69.07085	29.5
70.77133	3.4
71.05019	7.9
79.05504	11.4
81.07062	40.6
83.08621	10.1
91.05477	8.3
93.07059	27.7
95.04963	3.6
95.08035	6.3
95.08617	91.0
97.10165	5.3
98.21498	5.7
99.08083	10.4
105.07018	19.5
107.08600	37.8
109.10165	71.2
111.11742	14.3
113.09639	21.8
119.08550	15.9
120.92470	3.0
121.10148	28.1
123.08045	7.6
123.11710	26.3
131.08580	8.4
133.10143	18.2
135.11708	16.6
137.13309	14.1
139.11098	4.3
141.09114	12.9
145.10120	7.3
147.11728	10.4
149.13263	14.8
151.11174	3.4
151.14799	3.9
157.10078	4.5
159.11684	5.8
161.13274	12.4
163.14832	27.5
171.11729	4.0
173.13258	4.9
175.14896	4.7
177.16460	5.4
185.13257	4.1
187.14906	6.1
189.16385	3.6
191.14407	3.4
193.12286	3.8
193.15984	5.8
201.16362	4.3
203.18066	3.4
205.19485	17.1
215.17871	3.6
217.19565	5.3
219.21089	4.9
221.15353	3.8
229.15144	3.5
273.25845	6.6
274.52924	3.9
299.27289	4.1
325.28830	3.7
393.35110	3.3
411.36166	15.4
421.35229	3.8
432.68237	3.6
439.35760	100.0
440.35870	4.0
441.33514	3.6
457.36984	36.2
475.31821	29.0
475.39011	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	476.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
53.80578	0.9
55.01876	2.8
57.03443	47.0
59.04996	2.1
60.04521	1.3
61.02933	15.8
69.03067	1.7
69.03436	34.5
70.91219	2.5
71.01363	5.9
71.04988	1.5
71.68948	0.9
73.02923	100.0
79.05497	3.3
81.03424	4.4
83.04981	2.3
85.02911	58.9
87.04482	2.9
91.03941	2.0
91.05528	1.2
95.04975	1.5
95.79408	1.0
97.02900	57.5
99.04457	3.1
103.03928	1.1
103.05488	1.9
105.07042	27.7
109.02902	5.0
109.06523	1.7
111.48843	0.9
114.05519	1.3
115.03934	56.3
115.53357	0.9
124.05217	0.9
127.03924	20.6
132.06541	2.6
133.05006	13.1
133.06499	39.5
137.05983	35.5
144.06564	5.7
145.04965	22.9
145.06621	1.1
150.07668	3.6
162.07643	4.1
163.06036	4.6
165.09129	92.2
171.79346	0.9
175.07603	1.4
177.09116	3.9
180.08691	3.9
181.04924	1.2
189.09164	2.5
193.04915	1.6
201.09192	1.7
219.10182	1.1
223.06078	5.7
231.10074	1.1
241.07190	5.4
243.10199	1.6
259.08151	2.5
261.11383	1.5
276.10751	1.1
294.11798	1.1
304.49014	0.9
473.52219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01867	3.9
55.05482	1.2
57.03440	35.3
59.04996	1.3
60.04499	1.4
60.80169	1.0
61.02924	14.5
65.03924	1.0
67.05507	2.2
67.90778	1.0
69.03064	2.1
69.03433	40.1
70.06591	3.6
70.64143	1.2
70.64474	2.7
71.01349	5.1
71.05003	1.8
73.02921	100.0
79.05499	3.1
81.03423	6.5
81.07040	3.2
83.08704	1.2
85.02910	57.7
86.06099	1.6
86.09682	1.4
87.04466	5.4
91.03957	1.6
91.05502	3.0
93.07030	2.0
95.04973	1.9
95.08641	1.5
96.04523	1.4
97.02901	62.2
99.04462	3.1
103.03920	1.9
105.03405	2.6
105.07031	16.3
107.04944	2.1
107.08568	1.3
107.25842	1.1
109.02892	10.0
109.06517	1.6
115.03938	51.6
119.04992	1.7
119.08582	1.9
121.10132	1.5
123.49729	1.0
124.05219	19.2
126.05547	1.9
127.03062	1.8
127.03928	21.0
132.06615	2.2
133.04993	17.1
133.06497	14.9
133.10112	2.1
136.07526	1.3
137.05981	23.2
144.06599	5.9
145.04967	23.6
147.04405	2.2
149.05981	5.6
150.07620	3.6
162.07545	2.8
163.06010	5.2
165.09134	72.4
167.07043	1.2
175.03975	2.8
177.05409	1.3
180.08682	4.3
183.34174	1.1
201.09093	2.0
207.06563	6.5
223.06018	4.7
231.09967	1.3
241.07072	5.3
243.10178	1.5
259.08112	3.5
261.11319	3.6
294.11981	2.4
390.41187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
53.79367	1.1
55.01864	2.5
55.05507	4.0
56.05029	1.5
57.03435	1.9
61.02932	2.1
65.03933	1.4
67.05506	4.5
69.03436	7.1
69.07070	3.8
70.06587	2.2
70.40555	1.1
71.04990	3.6
71.61137	1.7
73.02922	1.5
79.05497	4.0
81.03421	5.8
81.07067	11.0
83.08613	2.2
84.04510	10.4
84.08144	1.5
85.02915	16.8
86.06089	1.3
86.09696	1.8
87.00848	5.8
87.57902	1.2
91.05481	9.0
91.15173	1.0
93.07072	7.7
94.06571	1.5
95.04971	1.9
95.07341	1.9
95.08617	16.2
96.08153	1.9
97.02917	7.5
97.06521	1.8
99.04485	1.9
99.08109	5.2
100.11195	1.2
102.74084	1.0
103.05514	1.4
103.34268	1.1
105.01881	8.2
105.07027	10.3
107.08614	10.9
108.04490	1.4
108.08099	2.6
109.02863	5.4
109.10181	4.6
110.09716	5.0
110.10417	1.3
111.08078	1.2
113.09680	1.6
116.94674	1.1
117.07027	1.9
119.08588	53.7
120.08122	2.8
121.10142	2.7
123.08080	1.6
123.11720	4.6
125.09647	1.2
127.03934	12.0
130.05023	4.2
131.04979	1.3
131.08609	2.3
133.10141	99.4
134.10515	1.8
135.11703	16.2
136.07603	1.5
138.09157	4.9
145.04965	3.8
147.11682	3.7
153.32976	1.3
159.02917	3.9
163.03894	1.2
165.09178	2.8
166.08609	12.0
167.09007	1.8
171.11638	1.1
173.13243	1.5
175.14842	100.0
177.05473	2.3
182.15353	1.1
193.15916	25.7
198.11339	2.7
210.14949	1.7
211.16934	23.7
221.08041	2.4
231.05095	1.7
244.91910	1.1
249.06200	1.2
297.12314	1.3
306.12811	1.8
313.11243	1.1
322.11630	1.4
405.68546	1.2
440.24875	1.1
475.39301	1.1
475.82755	13.9
476.27960	1.5
476.33167	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05516	7.9
57.03184	0.4
57.03442	6.4
57.07060	0.4
62.06092	0.7
65.03931	1.3
67.05508	29.4
69.07073	7.9
70.14597	1.6
71.04985	0.6
78.72149	0.3
79.05495	14.9
79.05953	0.8
81.07059	24.4
81.22219	0.3
83.04978	0.5
83.08611	2.9
91.04949	0.7
91.05481	7.4
93.07047	16.2
95.04964	1.2
95.08609	18.9
97.06538	0.7
97.10166	0.9
98.21362	0.5
98.98462	0.5
99.08103	0.4
105.04534	0.6
105.07025	4.9
107.08599	7.3
109.06498	0.4
109.10162	6.5
117.07030	1.1
119.08588	3.3
121.10152	5.0
123.11703	1.7
124.01606	0.6
131.08577	2.1
133.10153	2.0
135.11656	2.7
139.10989	0.3
145.10117	1.5
147.11688	0.9
149.13255	1.0
159.11678	0.8
161.13161	0.7
173.13292	1.0
175.14806	0.4
187.14784	0.5
193.91548	0.4
216.06297	0.6
261.22159	0.9
304.26355	2.2
335.25809	100.0
336.26160	1.9
460.12582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.75657	1.4
53.91456	1.2
55.05520	11.0
55.17193	1.2
57.03448	3.0
57.07074	1.7
62.06095	37.8
65.03928	2.3
67.05164	2.0
67.05507	33.7
69.07077	11.8
71.10852	1.7
71.11194	2.2
77.53996	1.4
79.05492	25.8
81.07059	28.1
83.08623	3.9
91.05468	11.9
93.07048	26.7
95.08607	24.4
98.06042	2.9
98.98483	12.0
105.04539	1.5
105.07040	7.9
107.08588	12.2
109.10147	11.2
119.08557	7.2
121.10139	9.0
123.11725	3.4
124.01583	1.8
128.91832	1.3
131.08582	3.8
133.10129	6.3
135.11693	4.5
145.10124	2.7
147.11685	3.0
147.74472	1.4
149.13261	4.1
155.01048	3.6
159.11633	1.8
173.02055	2.1
173.13245	1.5
175.14781	2.1
198.05281	1.9
202.71471	1.5
216.06361	3.8
243.21039	2.1
261.22131	5.7
278.23904	1.4
304.26352	31.0
335.25793	100.0
336.26306	1.4
458.26511	3.3
476.27762	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01876	1.9
55.05512	5.2
55.11942	0.9
57.03434	1.0
62.23788	0.7
64.73021	0.9
65.03948	0.8
67.05507	7.0
69.03439	4.8
69.07070	3.8
70.06612	1.0
71.04989	1.5
71.60920	1.1
72.08131	1.0
79.05500	7.0
81.03421	5.8
81.07068	9.8
83.04983	2.5
83.08639	2.2
84.08160	0.9
85.02926	3.2
85.06533	1.8
91.05480	7.6
93.07043	6.3
95.04975	3.9
95.08614	6.6
97.02892	2.0
97.06505	1.6
97.10184	3.4
99.04439	1.0
105.03409	2.1
105.07031	5.7
107.04974	3.9
107.08608	5.8
109.02905	2.6
109.06525	1.9
109.10189	4.9
111.04475	1.8
111.83193	0.8
117.07012	1.9
119.08601	3.5
120.08099	0.9
121.02895	1.0
121.06533	3.0
121.10142	4.3
123.04366	1.0
123.08072	2.0
123.11729	1.8
125.05933	0.9
125.09648	2.4
127.03924	1.4
129.06992	1.1
131.08578	3.3
133.06522	1.3
133.10126	2.5
135.08070	1.8
135.11722	2.8
137.05991	1.9
137.09601	1.3
143.08598	1.9
144.63327	0.8
145.02657	1.2
145.06532	1.5
145.10167	3.6
147.04454	1.3
147.07986	1.1
147.11659	1.6
149.06059	0.8
149.09662	1.3
149.13298	1.1
151.07547	1.6
151.11275	0.8
153.09189	1.1
157.10210	1.2
158.63873	0.9
159.08041	1.3
159.11679	1.7
161.09636	1.4
163.14836	1.0
165.09145	5.2
166.09506	1.1
167.07037	1.8
168.03458	0.8
171.11711	1.4
173.09758	1.0
175.07700	0.8
175.11208	1.3
177.05412	1.0
179.08540	0.8
181.04950	0.9
183.11685	1.1
185.09627	0.8
187.07703	0.9
189.11336	1.0
191.10666	1.0
193.12263	1.6
197.13364	1.3
227.05348	1.4
227.12828	1.3
229.08411	7.2
233.15538	1.6
258.90454	0.8
269.10080	2.6
271.04239	4.5
275.16611	0.9
311.11026	13.7
349.21545	0.9
355.10016	29.0
367.00168	0.8
367.22778	3.3
385.23862	4.5
391.13568	7.7
395.29700	1.0
403.24823	1.6
433.14755	48.5
441.25745	0.9
459.27591	3.1
477.13733	100.0
477.28256	4.3
478.14090	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91048	0.5
57.03424	0.8
65.03947	0.7
67.05489	0.8
68.50654	0.6
69.03427	2.2
69.07070	0.7
70.06597	2.7
70.17023	1.2
70.17419	1.4
71.04986	0.9
72.08156	1.1
73.02925	0.8
79.05479	1.0
81.03435	1.4
84.04488	0.8
84.08141	1.5
84.93122	0.6
85.02904	2.3
86.09732	1.3
88.03994	1.0
93.07050	0.7
95.05019	0.6
95.73618	0.6
97.02896	2.1
98.20800	0.7
98.97610	2.0
105.07030	1.2
107.04923	0.6
109.02809	0.7
110.07207	1.4
115.05445	0.7
116.98540	0.7
117.03379	0.6
121.02895	3.1
121.06507	0.7
123.04408	0.6
124.07566	0.7
133.06496	1.2
134.06865	0.6
135.04436	1.1
137.06004	2.5
145.02818	1.2
145.06425	0.7
146.06006	1.0
147.04424	0.8
147.07744	0.7
148.07530	0.6
151.03889	0.6
160.07610	1.8
161.05977	1.7
162.06390	1.4
163.03955	4.6
167.07001	0.9
167.10429	1.1
171.05035	1.3
172.04297	1.0
177.05473	1.4
181.04964	0.9
184.07579	0.9
193.08636	1.6
194.08940	1.7
201.03741	0.8
224.67952	0.6
262.11435	0.6
315.12976	0.9
319.12167	0.7
333.07910	15.2
333.11920	0.7
335.09521	1.7
345.14908	1.9
477.19455	100.0
478.19754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91048	0.5
57.03424	0.8
65.03947	0.7
67.05489	0.8
68.50654	0.6
69.03427	2.2
69.07070	0.7
70.06597	2.7
70.17023	1.2
70.17419	1.4
71.04986	0.9
72.08156	1.1
73.02925	0.8
79.05479	1.0
81.03435	1.4
84.04488	0.8
84.08141	1.5
84.93122	0.6
85.02904	2.3
86.09732	1.3
88.03994	1.0
93.07050	0.7
95.05019	0.6
95.73618	0.6
97.02896	2.1
98.20800	0.7
98.97610	2.0
105.07030	1.2
107.04923	0.6
109.02809	0.7
110.07207	1.4
115.05445	0.7
116.98540	0.7
117.03379	0.6
121.02895	3.1
121.06507	0.7
123.04408	0.6
124.07566	0.7
133.06496	1.2
134.06865	0.6
135.04436	1.1
137.06004	2.5
145.02818	1.2
145.06425	0.7
146.06006	1.0
147.04424	0.8
147.07744	0.7
148.07530	0.6
151.03889	0.6
160.07610	1.8
161.05977	1.7
162.06390	1.4
163.03955	4.6
167.07001	0.9
167.10429	1.1
171.05035	1.3
172.04297	1.0
177.05473	1.4
181.04964	0.9
184.07579	0.9
193.08636	1.6
194.08940	1.7
201.03741	0.8
224.67952	0.6
262.11435	0.6
315.12976	0.9
319.12167	0.7
333.07910	15.2
333.11920	0.7
335.09521	1.7
345.14908	1.9
477.19455	100.0
478.19754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03182	3.1
53.03940	7.9
53.87283	2.7
55.01880	18.3
55.05513	73.0
57.03431	12.7
64.08561	2.6
65.03928	5.5
66.46716	2.7
66.79301	2.5
67.05508	62.1
69.03417	10.1
69.07073	18.2
70.76647	5.6
70.76997	3.6
71.04989	7.3
79.05495	65.1
80.44702	2.7
81.03422	37.3
81.06580	3.5
81.07059	53.9
83.04986	14.8
83.08625	33.2
84.27583	2.6
85.02909	3.8
85.06538	5.9
91.05483	43.9
93.07056	36.8
95.04968	28.0
95.08612	31.1
97.06530	6.5
97.10181	54.2
98.97544	2.3
105.04499	2.8
105.07039	34.0
107.04956	40.5
107.08604	33.2
109.02869	3.3
109.06525	12.7
109.10151	21.0
111.08073	7.7
113.06001	4.0
114.25016	2.3
115.05416	3.4
117.07021	20.0
119.04962	6.5
119.08594	27.7
121.06509	27.4
121.10135	10.9
123.04458	3.1
123.08054	10.7
123.11674	3.1
125.06013	3.4
125.09642	49.0
128.06242	2.9
129.07007	16.8
129.60612	2.8
131.04918	6.7
131.08585	24.5
133.06491	12.2
133.10135	13.0
135.08066	15.3
135.11682	6.0
137.05977	4.7
137.09596	4.3
141.06992	5.1
142.07788	4.8
143.08533	12.9
145.06512	23.3
145.10133	15.6
147.04420	7.0
147.08032	13.1
147.11668	11.9
149.09605	10.4
151.07495	5.5
153.09160	12.8
153.12727	4.1
155.08582	8.6
157.06503	8.5
157.10152	13.7
159.08051	7.3
159.11697	5.5
161.05998	7.8
161.09644	6.9
161.13281	2.6
163.11186	4.9
165.09187	4.2
165.12729	4.3
167.08495	4.9
169.10127	9.0
171.08022	6.1
171.10248	4.5
171.11674	7.8
173.09654	6.0
175.07582	6.0
175.11180	6.3
177.12675	4.4
181.10060	3.7
183.11745	4.8
185.09589	4.4
185.13199	3.5
187.11226	3.6
187.14752	4.2
189.09407	4.4
189.11212	26.2
189.12727	4.6
193.12241	25.2
195.06583	3.4
197.13289	4.9
199.11235	4.2
211.11264	4.3
211.13168	5.5
213.12703	2.9
215.14444	5.1
217.12256	6.2
223.09576	3.3
227.12733	10.7
231.13713	4.1
233.15340	20.3
233.17381	3.2
235.13237	2.8
237.12695	3.8
239.14348	3.5
241.14433	5.0
245.15453	5.4
247.13272	3.2
249.14920	3.8
255.13728	4.7
259.13321	5.3
267.15955	13.3
271.16980	5.3
273.14987	19.2
287.16504	4.7
289.18079	3.0
291.15958	4.7
321.22006	4.4
339.23178	11.7
341.20889	4.2
349.21625	18.8
357.24179	15.9
367.22647	54.5
377.95892	3.4
385.23715	100.0
403.24771	33.0
405.24359	3.8
409.91324	2.9
433.25665	9.2
441.26221	8.6
459.27332	86.3
460.28046	4.4
477.28098	58.2
478.28391	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	477.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.0
55.05519	16.0
57.07079	41.4
64.57092	2.5
67.05516	15.6
69.07078	36.8
71.08633	26.4
71.60052	4.0
79.05477	8.8
81.07059	31.5
83.08630	22.1
85.10188	18.4
86.56871	2.3
91.05483	8.7
93.07042	12.0
95.04980	3.1
95.08037	3.5
95.08613	33.6
97.06531	3.6
97.10175	13.0
99.04470	6.1
99.11728	3.8
105.07053	14.4
105.92110	2.7
107.08585	10.8
109.06509	17.5
109.10141	11.3
111.08116	3.7
111.11707	9.6
119.08591	7.5
121.10128	7.0
123.08070	14.6
123.11684	6.3
125.05984	24.5
127.07560	26.9
131.08572	6.4
133.10127	3.8
135.08069	3.7
135.11710	4.3
137.05995	11.9
137.09653	3.6
137.13199	2.7
139.06487	5.3
139.07547	94.3
147.11685	7.2
149.05896	3.8
149.09618	6.1
151.07504	14.7
159.99660	2.6
160.02330	2.6
161.13290	3.6
163.07555	2.8
165.09143	5.7
167.07048	5.4
172.20222	2.4
173.13251	3.4
175.14847	4.4
177.09070	11.9
193.12274	3.0
220.61308	2.5
249.14885	8.9
262.39667	2.7
301.29001	5.7
319.22586	3.0
319.29910	9.1
347.32971	8.1
399.36316	4.9
403.35672	3.9
417.37268	20.0
427.35748	7.0
445.36774	100.0
477.33951	3.5
477.39542	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.0
57.07078	29.9
57.07362	1.7
67.02905	0.6
67.05510	7.7
69.03416	0.8
69.07073	23.7
70.80167	1.0
70.80502	1.4
71.08636	21.4
79.05493	5.3
81.07060	17.5
82.25424	0.7
83.04988	1.2
83.08631	13.9
85.10182	12.6
88.77847	0.8
91.05490	2.1
93.07040	6.3
95.04973	1.9
95.08612	15.3
97.06529	2.8
97.10180	10.0
99.04446	3.3
99.11729	1.1
105.07020	6.9
107.04944	1.5
107.08606	5.6
109.06525	10.3
109.10170	7.6
111.08088	1.9
111.11722	4.7
119.08548	3.7
121.06514	1.6
121.10147	4.9
123.08080	10.7
123.11704	3.5
125.06009	12.2
125.13239	1.5
127.07563	36.8
131.08585	2.2
133.10130	2.6
135.08058	2.8
135.11703	1.6
137.05952	2.6
137.09598	3.5
137.13272	1.2
139.07547	100.0
145.10118	1.7
147.11678	2.4
149.05988	4.4
149.09651	2.4
149.13261	1.8
151.07549	6.0
151.11154	1.2
151.14832	1.1
151.51036	0.7
153.09079	1.9
159.11720	1.0
161.13300	1.2
163.07593	2.6
163.11244	0.9
163.14861	0.8
165.09148	2.6
165.12802	0.8
167.07027	5.4
169.08664	1.2
173.09703	0.9
173.13316	1.0
175.11177	1.7
175.14830	1.4
177.09094	11.5
179.10620	1.0
191.10733	1.3
203.14362	1.3
207.13737	0.8
216.18442	0.7
219.13794	0.8
233.15404	1.2
247.16850	0.9
249.14847	1.2
301.28876	4.4
319.29926	9.7
327.89203	0.8
347.33072	14.7
364.54309	0.8
373.30991	5.9
389.37689	1.4
399.36346	2.5
403.35861	1.8
417.37286	13.6
427.35718	2.8
445.36786	29.6
459.38217	1.4
466.88037	0.8
477.34149	2.0
477.39438	53.4
478.39624	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	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01856	1.0
56.96551	0.6
60.04504	0.5
67.05475	0.5
68.67242	0.5
69.03431	2.4
70.06581	1.6
71.04979	0.6
71.59760	0.7
72.08141	0.8
73.02911	1.4
79.05502	3.1
81.03432	2.8
81.07072	0.8
84.04478	0.6
85.02908	5.5
86.09708	1.0
87.00822	2.0
91.05481	3.2
93.07053	0.7
95.04951	1.2
97.02885	2.9
98.97581	1.3
99.04501	0.7
103.05462	2.2
105.01798	0.6
105.07032	3.1
107.04955	27.5
108.04456	0.9
109.02869	1.9
109.91351	0.5
115.05410	1.5
115.06184	0.5
116.98724	0.5
117.03326	0.5
117.06998	0.8
119.04916	1.1
120.04466	1.9
120.05759	0.8
124.05245	0.5
125.05991	0.7
127.03936	3.2
131.04886	0.6
131.08556	0.8
133.06596	0.5
133.10144	0.6
135.08054	8.6
137.06004	3.1
138.05421	0.7
139.03842	0.5
145.02791	0.6
145.04910	1.4
147.04373	1.9
154.06250	2.0
157.07600	0.7
159.02823	1.3
163.07545	15.3
163.08922	0.7
167.07050	13.0
175.03979	0.8
177.05406	0.8
178.23380	0.5
179.07016	0.7
180.07788	2.4
191.04295	0.5
195.10168	100.0
196.10544	0.8
196.19879	0.5
207.06566	2.4
298.15521	0.8
323.09167	0.5
417.92453	0.5
434.20944	0.7
453.22394	0.5
478.19345	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.4
55.01883	9.1
55.05505	6.5
57.03431	6.6
57.07070	6.8
61.02923	7.9
65.03950	1.7
67.05515	11.1
68.99810	2.2
69.03435	32.5
69.07066	7.9
70.06593	2.6
71.01383	1.6
71.04996	3.1
71.59888	1.9
73.02907	5.7
79.05051	2.5
79.05502	41.3
79.32082	1.7
81.03413	24.6
81.07066	15.4
82.07395	2.2
83.01353	2.1
83.04980	12.1
83.08666	1.9
84.08153	2.8
85.02910	92.4
86.09727	2.4
87.00829	31.2
89.03925	1.7
91.05482	12.9
93.07048	38.7
94.37346	1.7
95.04966	4.7
95.08604	6.5
97.02899	28.7
97.06584	9.1
97.10161	2.1
98.97607	3.1
99.04488	11.6
105.01879	52.6
105.07032	7.4
107.04961	8.2
107.08600	20.6
108.04513	3.0
109.02892	29.0
109.06544	2.0
109.10162	3.5
117.07034	3.4
119.08577	4.1
120.49503	1.6
121.06533	5.0
121.10150	6.5
125.05990	13.9
127.03922	60.7
128.04303	2.0
129.01842	2.5
131.08549	1.9
133.10152	16.1
135.08127	2.3
135.11700	100.0
136.06252	2.2
137.05966	2.8
139.07542	9.6
145.04967	19.9
146.06047	1.9
147.02872	2.0
147.04416	2.3
147.11658	2.7
149.13277	10.4
153.09146	2.7
153.12729	2.3
159.02936	8.7
159.11722	4.4
163.03967	2.3
177.05511	4.0
177.12772	18.2
189.03851	2.3
195.13821	85.8
207.06598	2.1
213.03862	4.2
220.06990	1.8
231.05003	17.7
236.13686	1.8
249.06021	6.2
316.05331	2.3
316.28369	3.3
332.08542	6.8
386.24225	4.8
389.81894	2.1
403.17358	2.1
460.27328	2.8
478.17966	2.8
478.32153	5.8
479.19247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03946	0.7
55.01871	0.7
55.05516	11.4
57.03187	0.5
57.03440	7.5
57.07079	2.0
62.06091	0.4
62.64444	0.3
62.66688	0.3
65.03933	1.0
67.05508	25.9
68.26585	0.3
69.07071	16.2
69.81683	1.2
69.82103	0.6
71.04986	0.6
71.08624	0.7
71.68195	0.2
74.01412	0.3
79.05048	0.4
79.05497	7.4
80.57275	0.4
81.07061	25.3
83.04965	1.1
83.08626	7.9
85.06528	0.8
85.10151	0.3
91.05483	5.5
93.07052	7.4
95.04971	0.6
95.08611	19.9
97.06538	1.5
97.10167	3.4
98.06054	0.4
99.08073	0.6
105.07038	3.7
106.47430	0.3
107.08601	3.7
109.06486	0.4
109.10165	7.1
111.08061	0.9
111.11705	1.0
115.40635	0.3
117.57375	0.3
118.63737	0.3
119.08591	2.6
121.10143	3.0
123.08081	0.4
123.11715	2.9
124.01643	0.5
133.10117	2.5
135.11739	1.4
137.13232	1.3
145.10107	0.3
147.11678	2.0
148.97316	0.3
149.13257	0.7
151.14771	0.4
161.13252	1.2
163.14798	1.0
169.17027	0.3
175.14828	0.7
189.16379	0.4
198.05313	0.3
216.06268	0.4
245.22708	0.4
263.23694	0.8
306.27927	2.1
337.27377	100.0
338.27750	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03896	1.0
55.05505	9.9
57.03430	6.0
57.07057	2.2
62.05777	2.6
62.06091	37.0
67.05506	33.9
69.07069	14.0
71.12376	3.1
79.05492	8.3
81.07055	30.5
83.08615	6.9
91.05479	6.0
93.07059	9.1
95.04976	1.8
95.08609	22.2
97.10165	2.7
98.06069	1.9
98.98463	11.5
105.07001	1.9
107.08596	3.8
109.10175	10.9
112.21438	1.1
119.08576	3.2
121.10123	4.3
123.11705	3.2
124.01594	1.3
133.10149	2.7
135.11668	3.4
137.13211	1.8
142.02676	1.9
146.21127	1.1
147.11684	2.3
155.01038	7.3
161.13208	2.1
163.14789	1.6
173.02052	1.8
198.05229	3.1
209.56149	1.0
216.06366	4.0
235.07118	1.2
245.22629	1.9
263.23682	6.6
306.27933	22.4
319.26218	1.6
337.27374	100.0
338.27560	2.7
460.28223	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	478.2931
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.78227	0.5
55.01873	0.7
55.05516	4.6
55.28429	0.5
56.96566	0.8
57.07071	1.2
61.02918	0.7
62.06071	0.6
65.03952	0.7
67.05508	7.7
69.03416	0.9
69.07062	6.5
70.06587	0.9
71.08646	0.5
71.60595	0.6
72.48814	0.5
78.96322	0.5
79.05505	2.6
81.07063	7.5
83.08600	2.2
85.05283	1.7
86.06064	0.6
91.05467	1.6
93.07051	2.4
95.08613	5.4
97.02875	0.9
98.06059	8.1
98.97552	0.7
98.98454	1.5
103.46011	0.6
105.07000	1.0
107.08577	1.6
109.10160	2.2
111.11662	0.5
112.07580	0.8
119.08544	1.4
121.10152	1.5
127.03966	0.7
128.22427	0.5
131.08519	0.7
133.10130	0.9
145.53529	0.5
147.10335	0.5
149.02361	1.3
154.12253	1.0
163.11278	0.6
182.15439	0.6
193.04984	1.2
208.16949	1.5
251.31737	0.6
306.27917	100.0
307.28302	1.8
337.27145	0.7
338.67163	0.6
417.76077	0.6
478.19730	0.7
478.34796	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1527
Annotation	Pilosidine
Peak:m/z	Relative Intensity
55.05510	0.5
56.29130	0.4
61.25066	0.4
61.56477	0.5
67.05507	1.5
69.03449	0.4
69.07077	0.9
79.05488	1.2
81.03419	0.7
81.07062	1.7
83.46024	0.4
85.02911	0.7
85.06570	0.5
91.05487	1.6
93.07040	1.2
95.04975	0.9
95.08603	0.7
97.06525	0.9
98.20715	1.1
100.66463	0.5
105.07030	1.5
107.05017	0.6
107.08627	1.2
109.02843	0.5
109.06546	0.5
109.10146	0.6
111.04455	0.8
119.08591	0.6
121.06514	0.5
121.10130	0.9
123.08149	0.5
131.08496	0.7
133.10092	0.5
135.08107	0.5
141.01558	2.3
145.10152	0.6
147.11742	0.6
165.09166	0.5
169.04729	1.1
183.02638	0.8
187.07460	0.7
201.05315	3.1
210.29469	0.4
216.07590	17.6
216.09665	0.9
217.08284	1.1
229.19199	0.5
285.05774	6.1
313.07104	0.9
448.13431	1.5
449.14420	1.8
461.32733	1.0
479.15259	100.0
480.15714	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	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92810	2.9
53.03953	14.5
55.01868	16.2
55.05261	3.1
55.05513	41.7
56.96573	3.2
57.03441	40.6
57.07069	7.8
58.72196	2.7
61.02916	3.6
65.03932	6.7
65.36478	2.8
67.05165	5.2
67.05508	100.0
68.05851	3.1
69.03436	65.5
69.07069	33.6
69.92771	10.2
70.07393	2.7
71.01342	6.5
71.05014	13.4
73.02909	11.0
75.04472	4.0
79.05051	4.5
79.05497	71.1
79.38541	2.6
81.03423	54.3
81.07059	95.4
82.07378	2.8
83.04992	15.8
83.08630	16.2
85.02909	36.4
85.06563	3.7
87.04463	5.5
91.03954	2.5
91.05488	65.1
93.07056	74.1
95.04963	17.1
95.08609	77.4
97.02896	32.3
97.06524	9.7
97.10164	6.3
97.95889	2.6
98.20730	4.8
98.97563	4.7
99.04459	18.2
101.02384	3.2
103.03947	11.1
103.05470	5.7
105.07038	64.1
107.04970	9.4
107.08601	49.2
109.02888	31.4
109.06525	12.1
109.10163	28.6
111.04453	8.6
111.08047	3.8
113.02348	2.8
115.03935	5.9
115.05468	6.1
117.07013	29.2
119.08581	53.0
121.06489	9.1
121.10150	29.9
123.04408	4.7
123.08064	7.6
123.11710	7.6
125.06020	3.5
125.09647	5.0
127.03922	37.1
128.06204	8.3
129.05479	7.1
129.06999	20.5
129.24991	2.9
130.07742	4.3
131.08556	38.0
133.06491	8.7
133.10144	30.8
135.08093	6.9
135.11697	23.8
137.05991	4.7
137.09579	5.0
141.07004	8.0
142.07762	5.9
143.08553	20.5
145.04942	6.3
145.06529	9.2
145.10124	36.6
147.08032	13.3
147.11684	22.6
149.09598	5.5
149.13280	12.1
155.08571	10.0
157.06407	3.3
157.08847	2.7
157.10101	15.5
159.08057	11.4
159.11734	28.8
161.05969	3.9
161.09758	6.9
161.13315	15.5
163.11209	7.5
163.14819	5.2
167.08510	3.2
169.10149	8.3
171.08005	3.6
171.11717	18.1
173.09645	4.7
173.13249	20.7
175.07547	3.6
175.11180	6.0
175.14874	7.6
179.08563	3.0
181.10107	5.8
183.06509	7.5
183.11742	6.2
185.09599	5.1
185.13286	11.9
187.11200	6.6
187.14824	11.4
189.09126	3.7
189.12779	3.4
191.10623	4.3
196.08911	2.8
197.13333	5.9
198.82291	3.3
199.11186	6.6
199.14835	8.4
201.07558	5.0
201.12726	4.5
201.16403	3.8
203.10751	3.3
209.13405	3.5
211.14920	3.8
213.12851	5.0
215.14325	4.3
227.14397	4.6
243.21153	4.6
253.15816	3.1
259.20587	5.7
261.22134	15.0
273.22119	6.6
275.19968	3.8
285.22220	6.9
297.22015	3.4
299.07736	3.2
299.23624	4.4
301.21658	6.3
303.23389	4.4
307.28339	17.0
315.23267	4.9
317.17712	3.8
323.23477	3.1
327.23315	9.7
335.25854	8.9
338.27728	30.3
339.23227	5.5
341.24579	7.8
345.24271	9.5
351.22952	14.3
357.24286	3.9
359.25897	3.3
369.24155	27.1
387.25250	20.1
405.26596	4.1
419.27829	7.5
425.26855	4.3
429.26358	7.1
431.28064	4.1
443.27737	22.6
449.28979	7.6
461.28970	61.8
479.30002	98.7
479.36929	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	479.3007
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
51.02405	3.3
51.09312	4.3
53.03942	14.7
55.01867	12.9
55.05518	45.4
57.03445	44.5
57.07068	5.3
59.20967	3.9
65.03946	4.6
67.05511	100.0
69.03442	59.3
69.07078	29.8
71.01362	6.1
71.04984	12.4
71.59612	4.8
73.02919	13.1
77.03947	3.2
79.05499	78.3
81.02977	3.7
81.03425	51.6
81.07064	92.7
83.04982	17.3
83.08598	17.0
85.02901	30.8
86.09700	3.7
87.04475	6.6
91.05492	68.4
93.07056	76.3
95.04971	22.3
95.08043	4.8
95.08623	71.1
97.02898	25.0
97.06537	11.5
97.10187	8.0
99.04469	21.0
99.92986	3.9
102.17628	3.4
103.03931	13.2
104.47998	3.5
105.04539	4.6
105.07041	69.2
107.04967	11.4
107.08611	46.3
107.48049	3.5
109.02859	18.8
109.06532	9.7
109.10172	31.9
111.04440	11.0
111.08022	3.6
113.02336	3.8
113.05968	5.5
115.03909	6.0
115.05470	4.4
117.07029	34.0
119.04951	6.8
119.08594	47.4
121.06540	5.7
121.10166	29.4
123.04424	6.0
123.08065	7.8
123.11704	12.7
127.03933	27.9
128.06207	6.4
129.05510	10.7
129.07001	25.0
131.08583	47.7
133.06506	9.8
133.10147	39.0
135.08084	7.2
135.11736	19.8
137.09616	6.2
141.07011	8.2
143.08572	31.4
145.05028	8.7
145.06467	13.2
145.10144	40.6
147.08073	12.0
147.11722	29.6
149.09633	8.8
149.13258	13.1
155.08553	10.8
157.06474	6.4
157.10210	19.5
159.08090	8.8
159.11705	28.9
161.09666	10.5
161.13322	19.2
163.11198	8.6
167.08577	7.6
169.10136	13.6
171.08041	6.9
171.11699	18.2
173.09612	7.0
173.13268	18.6
175.07632	4.3
175.11166	8.1
175.14836	4.2
181.10158	7.4
183.06505	10.4
183.11681	10.7
185.09648	8.1
185.13261	10.1
187.11182	6.9
187.14842	10.6
189.12784	6.6
191.10721	6.5
193.12157	4.9
197.13261	6.9
199.14832	7.5
201.07520	5.3
201.12724	6.1
201.16583	3.8
203.14297	6.4
209.13310	4.8
211.14818	5.1
213.12840	6.4
215.14391	5.4
223.14803	3.8
225.16280	4.0
241.19608	3.4
243.21327	4.5
259.20572	7.9
261.22208	13.5
273.22208	4.1
283.20688	5.8
285.22052	5.5
301.21786	6.1
303.23206	6.1
315.23288	8.9
323.23596	6.0
324.11282	3.5
327.23187	7.2
335.25809	4.3
341.24667	7.7
345.24344	11.0
351.23184	14.8
357.24164	6.2
369.24326	34.5
387.25229	20.5
401.26495	4.5
425.26938	6.3
431.28137	6.5
443.27948	36.2
449.29013	9.9
461.29114	66.2
479.30212	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94912	4.0
53.03949	5.0
55.05515	29.6
57.03388	4.4
57.07076	92.0
67.05507	28.4
69.07070	60.3
69.33726	37.4
69.43936	4.1
71.08636	81.2
73.59262	3.7
79.05511	19.4
79.41109	4.7
81.07064	74.2
83.04998	10.9
83.08618	34.8
85.06561	8.6
85.10194	47.1
91.05470	5.3
93.07050	33.0
94.63249	4.3
95.08601	40.4
97.06529	7.8
97.10180	24.2
99.11740	7.7
99.57472	3.8
101.06034	30.9
105.07055	4.8
107.08609	25.0
109.06513	19.5
109.10172	21.2
111.04403	4.9
111.08076	6.8
111.11709	13.9
113.11755	5.0
115.07613	5.6
119.08547	6.0
121.10117	25.0
123.11697	15.0
125.06003	10.4
127.07560	82.1
129.05482	77.1
135.11671	17.4
137.13211	5.1
139.07564	8.6
143.07014	7.5
145.10190	5.9
149.13254	16.8
151.14886	4.6
159.11772	4.5
163.14815	18.2
167.14410	7.8
176.93095	4.5
177.16380	9.9
181.15947	4.6
209.18997	4.9
223.20595	4.6
233.22594	6.5
237.22131	4.3
251.23521	4.2
289.28864	10.2
297.85446	4.4
307.30084	16.1
335.28928	5.8
461.33868	5.4
479.34906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.3
57.06815	5.7
57.07080	82.5
67.05495	4.7
69.07070	8.3
69.23365	21.6
69.23769	8.7
69.87532	2.9
71.05003	16.5
71.08635	67.3
73.35018	3.0
79.05502	8.0
81.07050	9.1
83.08617	9.7
84.31107	3.0
85.10184	61.8
89.06036	44.4
93.07037	8.3
95.08620	8.3
97.10178	5.2
99.11730	4.9
105.07057	8.5
107.08566	5.4
109.10155	6.8
111.11703	3.8
113.13348	3.0
119.08572	6.3
121.10154	9.1
125.06000	64.2
131.08542	3.5
135.08018	3.7
135.11703	4.7
137.05984	6.4
139.07417	3.0
141.05482	4.4
145.10086	4.2
147.07954	3.3
149.06052	4.1
149.09669	3.6
151.07558	37.5
153.05479	100.0
157.10001	2.7
159.11742	5.2
159.85083	2.7
161.55820	3.0
163.07581	13.3
165.09119	34.9
167.07027	5.1
167.10802	3.3
177.09114	21.9
179.10596	15.6
181.08656	4.2
187.11227	4.1
191.10741	9.0
193.12291	4.0
195.10204	4.8
201.12685	4.0
205.12234	7.6
207.13853	4.3
209.11731	4.6
215.14319	4.8
219.13994	4.4
221.15439	3.1
223.13280	4.6
233.15393	5.1
237.14899	5.2
247.17070	5.9
251.16443	13.1
265.18137	14.0
275.19867	5.2
279.19473	8.9
279.88419	2.8
293.20975	8.4
307.22763	7.3
313.31488	3.3
321.24121	6.0
349.27097	3.3
357.29630	3.9
419.35214	55.6
461.36151	3.1
477.30408	3.5
479.34946	62.5
480.35989	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87905	2.2
55.05511	27.9
57.03436	3.4
57.07080	83.2
57.07363	4.6
58.09431	2.5
59.04987	1.9
67.05504	11.1
69.07076	43.8
69.24792	11.2
69.25227	12.6
71.04993	2.6
71.08637	77.1
75.86359	1.9
79.05492	12.0
81.07063	41.7
83.04966	16.3
83.08627	31.4
85.06519	3.0
85.10186	46.5
93.07048	32.4
95.08610	29.5
97.06540	8.7
97.10179	18.0
98.21449	4.5
99.08097	5.4
99.11734	7.8
101.06024	39.0
105.07033	3.2
107.04962	2.5
107.08609	28.9
109.06525	13.1
109.10177	20.7
111.04466	3.0
111.08081	7.4
111.11710	11.4
113.09621	2.6
113.13255	3.5
115.07581	7.7
119.08611	2.9
121.10143	19.8
123.11692	10.5
125.05991	7.2
125.09657	4.3
125.13251	4.4
127.07561	95.7
127.14838	3.7
129.05487	100.0
135.11719	18.9
136.07602	2.4
137.13295	4.6
139.07565	7.9
139.11171	3.7
141.12747	2.9
143.07039	7.3
149.13255	20.7
151.14738	2.8
153.09183	4.4
153.12729	6.3
157.08588	2.9
159.11667	2.9
163.11142	3.5
163.14818	16.2
167.10680	3.2
167.14326	8.2
171.10141	3.1
177.16377	8.8
181.12230	3.3
181.15887	8.3
185.11803	2.4
191.14250	2.4
191.17967	6.2
195.13753	2.5
195.17461	4.8
205.19531	6.2
209.15343	4.0
209.18935	4.0
219.17484	2.5
219.21060	4.7
223.20630	3.0
227.16525	4.7
233.22694	7.0
237.18446	3.6
237.22107	3.9
243.63092	2.2
247.20526	2.4
251.23788	6.2
255.19661	2.6
265.21408	2.8
283.22702	2.6
289.28876	13.5
299.27344	2.3
307.29846	11.0
317.28448	4.5
353.52383	2.3
433.36612	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	480.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01872	2.7
55.05503	0.5
57.03431	0.7
59.39517	0.4
62.50928	0.4
65.03928	2.8
67.05486	1.7
69.03408	0.8
70.06583	1.2
70.37469	1.4
75.04493	3.2
76.74629	0.5
77.03906	0.5
78.04716	2.4
79.05509	2.1
81.03410	1.5
81.07068	0.9
81.29675	0.4
83.04942	0.7
84.04489	0.9
85.02927	3.5
89.03905	1.2
89.06030	0.8
90.00227	0.5
91.05482	12.3
91.17270	0.6
93.03412	10.6
93.07042	5.2
95.04975	3.6
97.02898	1.1
97.06537	2.2
103.05479	5.5
105.03371	0.7
105.04468	1.0
105.07021	1.4
106.04177	24.9
107.04989	2.8
109.06502	1.1
109.10214	0.5
111.04411	0.5
111.39803	0.4
117.03369	1.8
119.04909	1.7
120.08085	0.5
121.06512	28.8
123.04443	1.8
123.08076	1.2
124.03970	1.2
125.06003	8.1
127.03924	0.7
131.04951	2.5
131.05852	0.4
133.02835	0.6
133.06462	0.7
134.03627	4.2
135.04395	1.7
136.14716	0.4
137.05984	4.2
138.06822	1.0
139.04005	0.5
139.07555	1.5
142.04980	0.8
145.02834	1.5
147.04388	1.4
148.05171	2.0
149.05986	43.3
151.03909	0.6
151.07549	2.4
152.08232	0.5
153.05475	1.3
153.09091	12.3
155.70686	0.5
159.04373	0.7
163.03928	2.7
163.07530	2.6
165.05447	0.7
166.06310	1.4
167.07069	4.7
177.05472	26.2
179.07021	0.7
180.07898	0.5
181.08595	20.3
182.09343	1.0
191.07076	2.6
191.79865	0.5
192.07774	0.6
195.06554	1.2
209.08096	100.0
210.08804	4.0
217.08206	0.5
251.06934	0.6
303.04587	0.6
318.06876	0.9
326.25714	0.5
341.13821	0.6
369.13193	0.7
401.15598	0.7
433.06000	0.4
480.14249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
53.52882	0.9
55.01875	1.8
55.05516	4.3
57.03440	3.4
61.02925	2.5
67.05516	6.1
69.03416	1.5
69.07066	2.7
69.36452	7.4
69.36859	1.4
70.06595	1.8
71.04994	1.4
79.05492	8.5
81.03410	3.3
81.07059	8.0
83.04949	1.3
83.08619	4.1
84.04507	1.6
85.02909	2.7
91.05494	4.0
93.07042	13.6
95.04958	3.8
95.08610	18.4
96.04520	1.0
97.02885	3.4
97.06513	1.7
98.20689	2.3
98.97600	1.5
99.04438	2.3
100.43086	1.0
105.07034	2.8
107.04953	6.0
107.08586	11.4
108.04507	2.0
109.06512	1.6
109.10143	1.7
111.04447	1.5
117.03398	1.2
117.07019	2.5
119.08549	4.7
121.06503	2.1
121.10139	6.5
124.07610	2.0
125.05947	1.3
127.03972	1.5
133.10164	1.1
135.11710	21.1
137.06030	1.2
144.31848	1.1
145.02858	3.7
145.10133	12.8
163.11188	31.4
177.05461	8.0
181.12251	8.3
182.12575	1.0
207.06531	1.3
209.11804	1.9
213.04633	1.1
227.12776	44.1
268.09525	1.1
274.13925	1.0
283.15408	100.0
284.15732	1.4
301.75784	1.1
358.97089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01864	2.1
55.05508	4.0
57.03435	3.3
58.73903	1.0
61.02912	2.5
67.05515	5.9
69.03426	4.0
69.07070	3.2
70.06570	1.3
70.91987	0.8
71.04987	2.9
71.11324	1.6
72.08144	1.0
73.02919	1.8
79.05482	10.4
81.03424	2.1
81.07067	10.3
83.04978	2.2
83.08614	3.6
84.08143	1.4
85.02907	3.9
86.09723	5.2
91.05495	6.2
93.07051	17.3
95.04983	4.2
95.08617	17.3
97.02896	3.3
97.06523	3.0
99.04448	3.1
105.07033	3.8
107.04961	5.3
107.08595	15.0
108.04459	1.2
109.02910	1.6
109.06520	1.1
109.10143	3.4
111.08075	1.2
113.06017	1.4
115.03909	1.2
117.03319	1.2
117.07027	4.1
119.04871	1.1
119.08583	5.2
121.06494	3.9
121.10160	6.7
123.11666	1.4
124.99991	3.0
125.05999	1.1
130.14986	0.9
131.08508	1.0
133.10146	2.4
135.08124	1.5
135.11699	27.3
136.06177	1.0
137.05949	2.0
139.07512	1.2
143.08519	1.1
145.10121	15.7
147.04378	1.2
151.47685	0.8
153.01877	1.6
160.07555	1.2
162.36516	0.9
163.04033	1.0
163.11191	40.2
167.07036	1.3
177.05470	3.1
181.12234	7.5
184.07356	14.5
209.11684	1.2
217.29358	1.1
227.10460	2.0
227.12790	55.2
283.15405	100.0
301.16528	3.0
318.06897	2.5
330.06863	1.1
480.13541	11.1
480.19006	1.6
480.31006	1.0
481.17023	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78267	0.3
55.05518	1.6
56.05049	1.4
57.03424	0.6
57.07086	0.5
58.06581	1.6
59.07369	0.3
59.58562	0.3
60.08168	17.5
67.05502	1.6
69.07072	1.5
69.98727	0.7
69.99120	0.6
70.06618	0.3
71.07379	6.8
72.96181	0.3
79.05496	1.3
80.79700	0.3
81.07057	1.7
83.04973	0.4
83.08620	1.1
85.06545	0.3
86.09709	50.3
91.27033	0.3
93.07040	1.5
95.08604	1.3
97.06524	1.5
97.10175	0.4
98.20747	0.3
98.98470	3.7
104.10748	100.0
105.11064	0.5
107.08579	1.0
109.10154	0.6
121.10149	1.2
123.11695	0.4
125.00010	26.7
129.05464	0.5
135.11684	0.8
159.10222	0.3
163.01547	0.4
163.03885	0.7
171.18390	0.3
181.02638	0.5
184.07350	94.2
185.07776	0.7
195.65489	0.3
207.06584	0.4
258.11044	1.1
297.24252	1.1
362.15106	0.3
432.43588	0.3
462.29773	8.6
480.30890	23.3
481.31277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1117
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
53.03946	3.7
55.01871	3.0
55.05510	7.4
56.96555	11.0
57.10051	2.4
67.05494	9.8
69.03421	9.3
69.07076	7.8
69.74271	2.6
70.06592	4.3
71.10374	2.5
71.10692	3.8
79.05484	6.7
81.03394	9.3
81.07076	15.8
83.08615	2.4
84.08127	4.4
85.02870	8.8
85.06533	4.1
91.05484	11.9
93.07034	7.8
95.04969	3.5
95.08623	11.9
97.02879	3.7
97.06513	5.3
98.97591	16.5
99.08092	3.2
105.07014	8.8
107.08587	7.1
109.02885	9.0
109.06535	4.0
109.10149	5.6
110.97583	6.6
116.98586	8.7
117.06993	2.7
117.66540	2.5
119.08549	6.8
120.31141	2.5
121.06522	3.7
121.10154	6.4
123.08013	3.5
127.03943	4.1
128.98596	9.2
131.08627	3.0
133.06540	2.7
133.10121	3.9
134.99640	2.4
135.04390	2.2
135.08037	3.0
135.11702	4.4
137.05968	7.4
137.09615	4.3
139.04010	2.8
144.08047	4.1
145.02856	5.0
145.10144	5.6
147.04337	5.0
147.11690	4.0
149.09599	3.0
151.07513	6.2
159.08040	3.1
159.11708	3.5
161.01288	2.7
163.03877	7.8
163.11221	3.4
172.74371	2.5
173.07120	9.2
173.13208	3.8
174.07890	8.9
177.05455	4.2
189.00706	3.3
191.10709	3.2
215.14212	2.9
219.01744	11.9
233.15413	3.0
236.03673	2.7
237.02817	18.9
254.04585	10.9
272.05673	2.6
293.07047	3.9
311.08041	7.3
347.08167	4.1
379.13498	2.4
395.10129	13.7
408.75098	2.6
413.11176	13.5
437.11984	14.1
463.14682	4.3
481.11032	100.0
481.21460	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	481.1129
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
52.59329	0.7
53.03959	1.1
53.34028	0.6
55.01865	1.1
55.05519	1.5
56.96560	1.2
57.03459	0.7
64.13754	0.6
65.03947	6.3
67.05511	3.3
69.03428	1.1
69.07066	1.7
71.04984	1.0
71.59718	1.1
79.05495	3.1
81.03413	2.8
81.07058	5.3
83.05011	1.5
83.08585	1.0
85.74523	0.6
90.41165	0.6
91.05468	4.0
93.03420	3.1
93.07058	2.8
95.04963	2.6
95.08609	3.3
96.02136	1.2
97.06530	0.9
105.07030	3.8
107.08628	2.0
107.77892	0.7
109.10163	0.9
111.04441	3.3
111.08024	0.7
118.15791	0.7
119.08564	2.4
121.06496	0.8
121.10132	1.5
122.92788	0.8
123.08073	1.1
124.01590	0.8
127.51534	0.7
131.08568	1.0
133.10153	1.9
135.11687	1.1
137.05923	1.1
139.03917	5.1
147.11682	0.9
149.05977	0.8
151.03912	0.9
153.01848	13.3
153.02979	1.2
155.08611	0.7
167.03766	0.6
167.07047	0.8
182.55330	0.7
193.12286	0.9
202.79434	0.7
203.07314	0.7
207.52878	0.6
213.05492	2.9
216.04286	2.6
229.04955	1.0
241.05013	3.7
242.05727	1.7
243.06555	1.3
255.06570	1.1
256.07318	0.7
257.04471	5.7
258.05264	1.9
267.15833	1.4
269.04593	2.1
270.05356	2.6
271.05853	0.6
271.18970	0.6
272.06784	2.2
273.07602	1.6
283.06180	1.7
284.03180	0.8
285.03900	0.7
286.05005	1.7
286.08377	2.7
287.05472	5.0
299.05560	2.1
300.06427	1.2
301.03622	1.0
301.07068	1.5
313.03619	1.4
313.07150	3.5
314.07858	16.3
315.05020	9.2
315.08676	17.3
316.05786	1.1
329.06696	1.7
335.05734	1.1
347.15390	1.9
363.05121	2.5
364.05737	1.4
389.75650	0.8
392.05139	3.3
405.05978	0.9
420.04630	1.0
435.07135	16.1
449.08853	1.8
463.30396	1.3
465.63840	0.7
479.50156	0.7
481.11322	100.0
482.11557	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
60.64580	0.8
66.12583	0.8
67.05505	0.6
68.95934	0.7
69.03426	0.9
70.06584	1.8
70.72802	0.8
70.73125	1.5
81.03420	1.0
81.04524	3.1
84.08140	1.9
85.02917	3.6
86.09702	1.6
91.05484	1.1
95.06088	2.4
97.02924	1.0
98.97579	1.1
109.02849	1.7
113.82848	0.6
117.03391	1.5
119.04955	1.2
120.08106	1.2
125.07135	3.8
127.00034	0.7
127.03960	0.9
137.05957	1.2
140.07089	0.8
143.08157	12.6
145.02832	2.6
149.05948	0.7
151.03976	0.8
161.06018	1.4
163.03951	1.6
177.05498	5.0
182.08162	1.2
187.98781	0.7
215.06827	3.1
217.04665	1.9
227.05283	2.5
232.07051	16.1
233.07863	9.9
263.06033	0.6
265.09772	0.7
271.04254	6.3
302.10175	0.7
319.13000	1.7
320.59427	0.7
340.29874	0.7
395.13147	4.9
437.14233	41.0
481.13144	100.0
482.13382	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	481.1685
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
53.41889	0.4
55.05514	0.5
67.05495	0.5
69.03419	0.7
69.26984	2.0
69.27408	1.6
71.45284	0.3
81.03397	0.4
81.07042	0.6
85.02920	0.6
88.82542	0.4
91.05473	0.7
93.07060	0.4
95.08611	0.6
99.04482	0.5
107.08657	0.4
119.08573	0.4
121.06527	0.4
127.03803	0.5
132.34686	0.4
136.06194	0.4
137.05965	0.4
146.05984	0.5
152.05803	0.4
155.03081	0.6
158.06050	0.3
163.03844	1.0
169.04817	0.5
173.04190	0.7
174.07899	0.6
186.06503	3.4
192.10921	0.4
212.11853	0.4
215.05281	0.6
229.06799	0.6
237.10580	0.5
301.09045	0.7
317.08511	2.9
349.12622	2.0
451.15851	0.4
481.16846	100.0
482.17264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99007	0.2
55.05506	0.4
55.23450	0.2
57.03439	0.3
63.67589	0.2
67.05502	0.5
69.03438	0.5
69.07066	0.3
70.06587	0.4
70.07933	0.2
70.28684	0.9
79.05476	0.3
81.03433	0.3
81.07047	1.1
83.05010	0.2
85.02892	0.4
86.09706	0.5
91.05492	0.7
93.07038	0.7
95.04966	0.3
95.08595	0.5
97.02857	0.3
97.06555	0.4
103.05469	0.3
105.07039	0.3
107.04970	0.3
107.08595	0.6
109.02923	0.3
109.10159	0.4
111.04459	0.3
113.02090	0.3
117.07008	0.3
118.10751	0.2
119.08531	0.3
120.08099	0.4
121.06525	0.2
121.10188	0.3
123.11740	0.3
124.17551	0.2
133.10078	0.2
136.06189	0.4
137.05870	0.3
137.09612	0.3
141.05226	0.4
145.10141	0.2
146.05934	0.3
152.05685	0.3
155.03194	0.7
158.05984	0.3
160.07599	0.6
163.03943	0.9
169.04735	0.7
171.04126	0.5
173.04231	0.6
173.07124	0.4
174.07901	0.7
175.11023	0.3
177.05585	0.4
186.06543	3.7
196.10492	0.2
215.05287	0.4
229.06912	0.6
301.09055	0.7
317.08414	2.9
336.69263	0.2
349.12643	1.7
450.14987	0.3
481.16846	100.0
482.17249	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	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
55.76750	0.7
56.96572	1.1
57.03426	0.8
58.06607	1.2
67.05500	3.1
69.03426	2.6
69.07070	2.8
71.05001	1.2
71.59312	0.7
72.32740	0.7
79.05486	2.3
81.03419	1.9
81.07066	5.6
83.04984	1.6
83.08608	1.6
84.08105	0.7
85.02905	3.3
85.06514	1.6
86.09683	1.1
91.05486	3.8
93.07052	3.8
95.04945	1.9
95.08613	3.4
97.02892	2.0
97.06535	2.2
98.97594	1.1
99.04471	0.8
105.07030	3.0
107.04960	1.1
107.08601	2.6
109.02900	1.6
109.06535	1.1
109.10156	3.1
111.04476	1.2
111.08129	0.9
117.03352	0.8
117.06975	1.1
119.04956	1.4
119.08566	2.0
121.06510	1.1
121.10156	1.9
123.11739	1.6
127.03918	1.3
130.06538	0.8
131.04929	1.5
131.08585	1.4
132.04419	0.8
133.10129	1.7
135.04453	0.9
135.08003	0.8
136.06172	1.7
137.06001	3.3
139.03915	1.1
143.08521	0.9
144.08118	1.0
145.02948	1.0
146.05991	1.6
147.04506	1.1
147.11630	1.6
147.66222	0.8
149.09662	1.0
151.07550	1.8
152.05690	1.7
153.05441	0.9
153.77852	0.8
163.03931	2.2
167.07100	1.3
173.07089	2.5
174.07878	4.7
177.05510	1.8
178.28809	0.8
180.42529	0.7
181.04901	1.0
197.19014	0.8
207.06769	1.3
212.65088	0.7
215.14305	0.9
233.15179	7.8
265.25406	0.7
271.04349	3.0
309.77579	0.8
314.07755	1.0
332.20227	0.9
377.19174	1.0
395.20395	8.3
437.21475	29.4
437.27600	1.4
438.22244	1.2
464.20203	1.0
480.80795	1.0
481.20477	100.0
482.20743	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	482.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08985	0.9
50.17220	0.8
55.05523	1.2
56.69336	0.8
56.96569	23.6
57.03413	0.8
64.37349	0.9
67.05502	2.9
69.03426	1.2
69.07066	1.8
69.57967	6.0
70.06638	0.9
70.66788	1.0
79.05505	1.5
81.07059	3.3
83.05006	0.8
84.96040	11.8
85.02929	2.2
85.43230	0.9
91.05495	3.2
92.43939	0.9
93.07048	3.1
95.08607	2.2
97.02918	1.9
97.06522	1.2
98.97592	39.5
105.07067	2.0
107.08611	2.3
107.70116	1.0
109.10184	2.5
110.97589	7.9
112.99170	2.7
116.98640	17.3
119.08576	2.1
121.10133	1.3
122.25378	1.0
124.99145	2.1
126.97020	1.1
128.98618	8.5
131.00183	1.4
131.08566	1.0
133.10118	1.2
134.97572	1.7
134.99670	6.5
137.05951	1.6
140.00143	1.6
140.98700	1.2
143.00203	8.6
145.02850	1.1
146.99677	2.8
147.04427	1.6
149.01195	1.0
152.98668	6.8
158.99712	5.1
159.00870	0.9
161.01241	12.4
167.00201	2.9
170.99701	6.9
177.00749	7.3
177.05521	1.9
179.02298	2.3
180.98111	1.6
182.01392	0.9
185.01242	5.5
189.00739	2.7
192.98149	1.0
194.99724	2.4
198.99207	1.9
200.02374	1.2
200.99141	1.0
201.00612	5.3
203.02280	3.6
207.01773	1.5
210.99174	12.3
211.96741	0.9
213.00768	7.1
219.01750	16.6
225.00790	1.7
227.02342	1.2
229.00211	36.4
234.00726	1.0
235.02795	1.7
237.00655	1.9
237.02814	16.0
242.03374	1.6
243.01755	1.2
247.01268	4.7
248.02737	1.0
252.01898	2.1
253.00189	3.8
253.03891	1.1
255.01221	0.9
255.03844	1.2
267.01715	1.5
271.01193	8.9
275.02414	2.0
279.01782	2.5
288.11292	1.4
293.03391	2.2
295.01202	2.4
297.02783	2.9
313.02588	1.4
337.02368	5.1
355.03348	28.4
373.04456	100.0
374.05072	1.6
378.04913	1.7
379.03760	1.5
391.05402	6.2
396.06155	8.7
397.04645	2.0
415.05640	2.6
433.06717	7.1
438.06992	1.1
441.03494	5.3
459.04572	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	482.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12186	0.8
53.03939	1.0
55.01868	1.1
55.05500	1.5
57.03436	1.1
59.34910	0.7
65.03940	1.6
67.05497	1.1
69.03443	5.2
69.40357	1.6
69.40761	5.4
70.06596	2.2
72.08168	3.8
78.03459	7.9
79.05482	3.5
80.05025	1.7
81.03423	12.5
81.07059	1.9
83.04948	1.0
84.08128	1.7
85.02903	6.9
85.06506	1.0
89.03916	1.3
91.05480	15.1
93.07092	1.1
94.04207	1.5
95.05015	1.8
96.04501	2.0
96.71953	0.7
97.02897	4.3
99.04443	3.1
105.06998	1.0
106.02921	38.1
107.04963	3.7
109.02882	7.8
110.07164	1.4
110.17378	0.8
112.54781	0.8
117.03359	3.0
119.04949	37.6
121.06503	0.9
122.03648	3.0
124.03960	75.9
127.03934	5.2
130.06606	1.7
133.06535	1.0
135.04439	3.3
137.05984	100.0
140.10699	1.3
145.02850	5.5
145.05058	0.9
146.05951	1.4
147.04413	70.1
149.05972	2.3
151.07553	2.7
157.10176	0.7
158.06009	2.2
166.05008	1.2
166.08665	0.8
167.07025	3.8
175.08609	1.9
177.05472	6.9
179.07036	43.1
193.12244	2.2
196.06126	0.9
197.08121	6.6
203.08211	1.8
210.14909	1.0
212.07187	0.8
221.09283	2.0
250.07123	18.3
258.16211	1.2
267.15866	2.3
268.08170	35.3
285.17151	2.0
285.66891	0.7
290.10416	1.0
302.19562	0.8
320.16104	1.2
365.13312	1.5
434.14487	36.3
438.14771	1.0
446.19220	1.0
464.15393	9.4
464.25449	1.2
482.13260	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	482.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06349	0.7
58.06586	2.6
59.07396	0.5
59.08217	0.4
64.45642	0.4
71.60305	0.6
74.09720	15.8
75.95777	0.5
82.99860	0.5
85.02903	1.1
86.10710	0.5
88.57169	0.4
91.75343	0.4
100.07639	0.8
101.00883	0.6
114.08929	1.2
118.08669	9.3
119.01897	0.6
129.26694	0.4
140.06831	61.6
141.07133	0.6
143.01895	0.8
148.99644	0.5
155.01872	0.7
156.04243	0.8
156.08685	2.1
158.06639	4.3
163.03824	0.8
168.08699	0.8
173.02917	1.0
176.07706	9.2
185.02979	0.9
186.06046	0.6
200.07693	100.0
201.07819	2.8
212.07713	8.0
218.08765	21.7
219.03537	0.8
228.06729	0.5
230.08795	5.9
242.08684	2.1
244.10396	0.7
245.05170	2.3
254.08661	0.8
256.06738	0.9
260.07260	0.7
260.09836	10.3
284.09763	1.1
290.10950	0.7
302.10889	2.1
308.16959	0.5
320.12134	0.6
321.06519	0.8
444.11676	0.5
482.10226	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	482.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05503	2.1
55.81562	0.7
63.02379	1.0
65.03934	0.9
67.05509	1.6
69.03432	1.2
81.07051	2.1
85.02912	1.2
89.03920	11.8
91.05490	4.2
93.07034	1.1
95.04968	1.1
95.08605	1.1
95.09181	0.7
97.02911	1.1
100.11250	1.7
107.08607	0.9
108.04498	1.3
109.02879	1.3
117.03384	34.2
118.08620	0.9
119.04995	0.8
119.08601	0.8
121.10100	1.1
122.05996	0.7
133.66945	0.8
134.03642	3.4
134.97270	0.7
135.04408	2.0
137.06021	1.0
138.05455	0.8
144.04408	1.9
145.02856	67.4
145.46838	0.7
147.04381	3.2
147.11697	0.9
149.05984	10.8
151.62308	0.7
168.04443	0.8
177.05481	100.0
178.05815	2.0
182.15448	1.2
183.48952	0.7
186.05524	2.1
218.08203	2.9
233.10721	2.1
243.09238	0.8
249.10255	9.5
259.08716	0.9
260.11990	1.3
261.10211	9.5
270.10318	2.7
277.09750	17.5
278.12918	1.3
287.10736	1.8
288.11310	14.9
289.09689	22.3
290.09848	0.9
291.07642	1.4
306.12381	27.4
332.10291	1.7
333.72159	0.8
358.11954	2.9
391.10770	1.2
407.13849	7.1
408.14835	4.8
464.16034	9.9
482.15912	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06627	1.2
60.23080	0.4
61.37869	0.4
67.90635	0.4
71.40042	0.6
74.09721	19.5
76.72798	0.4
82.99918	0.4
96.07903	0.8
100.07641	0.5
114.08918	2.2
115.66816	0.4
118.08646	3.4
139.91493	1.1
140.06827	100.0
141.07213	0.6
156.04237	1.4
156.08725	1.6
158.06665	3.2
174.09720	0.5
176.07684	9.3
186.06100	0.6
186.09807	0.4
200.07683	92.9
201.07832	2.5
212.07681	6.4
214.09392	0.6
218.08760	17.6
225.20755	0.4
230.08716	6.0
241.10338	0.5
242.08806	1.9
254.08698	1.3
260.09808	9.7
272.09869	0.6
284.09775	0.9
290.10889	0.6
296.87857	0.4
300.32501	0.4
302.10785	1.6
320.12381	0.5
365.13129	0.4
404.86169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50208	1.4
52.02108	1.2
53.03944	3.3
55.01872	1.7
55.05517	6.4
57.03441	8.4
58.32735	1.7
58.48941	1.2
61.02921	3.0
61.63420	1.3
62.81871	1.3
67.05514	12.8
69.03441	6.4
69.07077	3.3
69.55443	9.7
70.06590	3.2
71.04993	3.2
73.02920	2.2
79.05495	11.9
81.03420	44.2
81.03910	2.4
81.07064	12.3
83.04999	7.3
83.08183	2.4
83.08626	17.5
84.08130	2.8
85.02918	16.1
86.09687	1.7
91.05481	16.5
93.07029	7.2
95.04964	18.4
95.08595	7.0
97.02883	6.3
97.06496	2.2
99.04533	1.4
105.07024	13.1
107.04965	5.7
107.08583	4.6
109.02882	1.7
109.06537	3.8
111.08095	8.5
115.05444	2.4
117.07098	1.7
119.04964	2.3
119.08578	10.4
121.06521	2.4
121.10165	4.5
127.03918	1.8
129.06996	7.6
131.08546	5.9
133.06528	1.9
133.10144	5.2
135.11644	1.8
137.05914	2.2
137.09674	1.3
145.02794	1.7
147.08041	2.3
147.11702	10.8
149.09625	3.6
157.10170	9.0
165.12796	1.7
167.10599	1.7
175.08394	1.5
175.11208	10.6
177.05403	1.6
190.04947	1.9
191.08188	3.6
193.12259	46.0
211.13315	33.8
215.08282	2.7
267.15958	15.9
285.16977	100.0
286.17401	2.1
313.11661	2.1
341.11362	2.0
350.13425	3.4
482.17743	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	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.0
57.03433	6.0
57.93498	1.0
61.02911	2.8
67.05516	8.8
69.03418	3.2
69.07065	4.1
69.43977	7.1
69.44402	2.0
70.06577	2.8
71.04993	2.1
79.05500	9.3
81.02970	1.9
81.03426	29.6
81.07070	12.8
83.04984	7.1
83.08627	11.4
85.02920	13.4
85.06555	0.9
86.09710	2.3
91.03948	1.4
91.05485	12.7
93.07048	6.5
95.04980	11.7
95.08614	5.4
97.02890	4.1
97.06529	2.3
97.10152	1.5
105.07040	9.0
107.04921	2.7
107.08566	3.6
109.02859	1.7
109.06510	3.3
109.10139	1.4
111.04409	1.1
111.08070	6.3
119.04952	1.9
119.08598	8.1
120.08160	1.5
121.06529	1.6
121.10143	3.8
123.08101	1.5
127.03934	1.3
129.06993	4.7
131.08577	5.0
133.06494	1.2
133.10156	5.3
135.11641	1.7
137.06030	1.3
142.07800	1.5
147.04381	1.0
147.11681	8.4
149.09639	4.0
153.12811	1.3
156.31668	1.0
157.10185	6.5
163.03897	1.5
165.12791	1.5
167.06909	1.4
175.11189	8.0
193.12265	29.1
211.13312	24.3
217.26483	0.9
267.15945	9.6
285.16986	100.0
286.17236	2.0
320.07895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05036	1.5
57.03435	0.7
57.06818	0.3
57.07079	3.5
58.06577	1.6
59.07386	0.3
60.08165	17.5
66.17443	0.3
67.05497	0.7
69.07060	0.9
71.07375	6.3
71.08634	2.0
72.30743	0.3
80.50560	0.3
80.78307	0.3
81.07058	1.2
83.08634	0.6
85.10193	1.1
86.09708	51.3
87.10052	0.3
89.92293	0.3
92.72656	0.3
95.08636	1.4
97.10146	0.3
98.98471	3.6
103.05484	0.3
104.10745	100.0
105.11073	0.4
108.52814	0.3
109.10193	0.4
114.16241	0.3
125.00007	28.6
131.04948	1.2
132.05292	0.4
163.01566	0.6
184.07344	93.7
185.07661	0.5
201.55389	0.3
229.45792	0.4
245.13713	0.4
258.11063	1.4
299.25882	1.8
405.23340	0.7
464.31400	8.2
482.32458	23.4
483.32443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
57.07079	61.8
59.54088	1.4
67.05465	1.5
69.07074	9.1
69.36417	3.1
69.36844	9.7
71.08636	55.2
73.06561	3.2
81.07061	2.2
83.08626	4.5
85.10184	34.2
87.04457	2.9
89.06036	100.0
95.08596	2.3
97.10175	2.7
97.49129	1.4
99.11712	6.4
111.11697	1.8
113.13276	3.2
117.09126	2.8
125.13277	2.1
127.14849	2.3
130.08646	3.3
133.08614	61.9
135.10167	1.5
139.86754	1.4
174.15846	1.3
177.11244	24.0
195.12317	4.6
198.68703	1.3
221.13860	2.3
239.14925	4.0
271.26352	4.3
283.17511	35.1
300.67786	1.4
315.29086	2.9
397.97958	1.5
421.34546	1.5
465.38049	28.9
482.34045	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	483.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.96559	0.6
64.84878	0.6
67.05495	1.1
69.03425	1.3
69.42009	5.6
70.06587	2.4
71.04970	0.9
72.08141	0.9
73.22504	0.6
81.03423	1.0
81.07049	1.3
85.02899	1.8
86.09722	1.2
91.05459	2.3
93.07012	1.3
95.04930	0.8
95.08604	1.5
97.02843	0.8
97.06530	0.7
98.97563	2.0
104.73336	0.7
105.07037	1.4
107.08593	1.1
109.06544	0.8
110.07145	1.5
119.04910	0.7
119.08552	1.2
120.08088	0.7
123.08030	0.9
133.10051	1.4
135.11700	1.0
136.07541	1.8
137.05922	1.0
147.04369	0.8
158.99628	1.0
161.05902	0.6
163.11150	0.9
164.06993	1.9
177.00836	0.9
177.05339	0.8
179.25342	0.6
187.11115	0.7
205.04753	7.9
207.06512	1.4
207.09549	1.0
217.08372	7.2
223.13252	1.1
227.05283	2.0
234.08713	5.8
235.09439	8.0
260.11169	1.2
271.04138	2.6
288.12277	2.6
288.62561	0.7
397.14664	5.0
421.14767	1.1
439.15741	30.2
440.16550	0.7
465.13577	1.7
483.14600	100.0
484.15009	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01867	3.3
55.05510	6.7
56.70876	1.5
57.03429	4.5
61.02932	3.2
65.03936	2.5
67.05518	8.9
68.55267	1.4
69.03435	7.9
69.07074	29.8
69.49166	5.9
69.49592	5.7
70.06599	2.2
76.25356	1.4
77.38861	1.5
79.05483	15.5
79.28461	1.9
81.03429	4.0
81.07060	11.9
83.04985	2.6
84.04520	1.3
85.02908	8.0
85.06544	2.8
87.04484	1.7
89.03912	3.0
91.05486	8.6
93.07043	9.8
95.04964	5.5
95.08616	11.8
97.02905	4.8
97.06539	85.7
97.75618	1.3
98.20753	3.2
98.97597	1.9
99.04459	3.6
105.07040	7.3
107.04960	4.8
107.08601	6.7
109.02909	1.7
109.06482	3.3
109.10148	4.4
111.04453	2.3
111.08092	6.1
117.03420	7.1
117.06994	1.5
119.04963	3.0
119.06112	1.7
119.08582	6.3
121.10117	7.4
123.11697	3.3
123.71719	1.6
125.05936	1.6
125.09590	3.8
127.03917	3.1
129.06987	1.9
129.09105	3.3
131.08542	3.7
131.51779	1.9
133.02887	5.4
133.10139	6.4
135.04443	7.8
135.08051	3.6
135.11688	3.0
137.05963	3.4
137.09618	2.2
145.02849	6.6
145.10173	4.2
147.04419	3.5
147.07965	2.5
147.11754	3.8
149.09659	2.2
159.04433	10.5
159.08035	2.0
159.11769	3.1
160.07634	1.8
161.02347	28.8
161.13316	1.8
163.03923	59.1
167.07117	2.0
173.02348	58.0
175.03906	2.9
175.14909	2.0
177.05504	5.3
185.05957	3.8
187.03973	1.9
191.03398	11.5
197.06178	1.8
215.07033	100.0
216.07326	2.0
217.15895	5.2
230.11319	1.7
233.08125	4.3
235.17073	1.8
241.08600	16.0
259.09671	32.6
273.11191	14.5
291.12292	86.4
292.12543	2.2
303.23264	3.0
317.06418	1.5
321.24237	2.0
369.21915	1.6
412.44275	1.7
433.64380	1.7
439.19324	2.1
483.12570	2.2
483.19101	4.3
483.25854	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	483.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01861	4.7
55.05503	4.5
57.03438	7.0
59.04981	3.7
61.02917	4.3
66.43311	2.4
67.04984	3.1
67.05497	11.9
69.03421	9.2
69.07071	33.5
70.06589	8.8
71.05000	4.7
71.59780	4.9
79.05496	21.8
81.03413	8.4
81.07067	19.4
83.05007	3.5
84.04476	3.1
85.02889	8.1
85.06553	4.7
87.81936	2.9
89.03933	4.0
89.56605	2.5
90.97873	2.7
91.05473	14.6
93.07050	9.8
95.04960	8.8
95.08607	9.6
95.64692	2.9
97.02901	3.7
97.06538	96.1
98.53062	2.6
98.97568	3.8
105.07021	9.1
107.08566	7.2
109.02885	4.7
109.06485	4.9
109.10152	9.5
111.08073	4.3
117.03397	7.8
117.06960	3.7
119.04957	5.0
119.08569	9.4
121.02872	3.2
121.06503	3.0
121.10173	6.3
123.08082	3.0
123.11639	3.5
127.03876	6.5
131.04900	3.4
131.08524	4.7
133.02881	4.5
133.10120	7.7
135.04411	10.7
135.11734	3.9
137.06020	2.6
137.09631	4.2
139.11172	2.9
145.02837	7.8
147.04382	5.2
159.04427	9.3
160.07529	2.6
161.02332	34.9
163.02541	4.1
163.03908	72.9
167.07007	4.3
173.02339	60.5
175.53006	2.5
177.05449	4.9
183.35106	2.6
191.03365	4.5
215.07039	100.0
241.08580	20.7
259.09750	24.3
273.11127	13.7
291.12271	98.7
303.23471	3.0
321.24680	3.4
439.22552	6.8
483.16745	11.4
483.22595	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	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01888	1.5
55.05502	2.7
56.96571	2.3
57.03423	1.3
61.02927	1.7
67.05502	3.9
69.03431	4.7
69.07063	5.1
69.78935	5.6
70.06595	7.7
71.04993	1.5
71.06905	1.4
71.38316	0.8
72.08167	1.3
79.05492	5.1
81.03417	4.8
81.07063	6.9
83.04986	1.8
83.08597	1.5
84.08167	1.7
85.02906	6.4
85.06541	1.2
86.09724	2.0
91.05482	4.4
93.06548	0.9
93.07030	5.0
95.04978	3.1
95.08616	5.0
97.02885	1.9
97.06535	9.8
98.97595	1.0
99.04495	1.0
105.07030	5.0
105.86530	0.9
107.04985	1.2
107.08624	6.4
109.02883	2.8
109.06562	1.9
109.10161	4.2
110.07216	1.0
117.03378	1.9
119.04969	2.6
119.08599	3.5
121.06542	1.4
121.10172	5.7
123.08042	2.1
123.11716	1.6
125.09566	1.3
127.03950	2.6
127.19306	1.0
129.07054	0.9
131.04962	1.8
131.08572	2.4
133.10127	2.3
135.04445	1.9
135.08069	1.7
135.11737	3.0
137.05991	1.5
137.09666	1.7
139.03835	1.0
142.07651	0.9
143.08540	1.2
145.02893	2.6
145.04895	1.1
145.10144	2.8
147.04414	3.2
147.11702	2.4
149.09637	2.0
149.13367	1.1
151.74261	1.0
157.10205	2.2
158.60074	0.9
159.08038	1.9
159.11801	1.0
160.07678	1.7
161.02380	2.6
161.06018	1.1
161.09601	1.9
163.03857	8.6
167.07036	2.1
173.02353	4.2
175.04030	1.5
175.11214	1.2
177.05472	2.8
179.10675	1.1
180.78107	0.9
181.04976	1.3
187.07545	1.2
187.14781	1.2
205.08728	1.0
207.06529	1.4
215.07001	6.1
217.15994	1.9
218.07370	0.9
219.01881	1.0
235.16783	2.0
259.09662	1.2
289.05515	1.0
291.12207	4.5
303.23358	1.1
397.21542	4.1
437.08627	1.0
439.22971	19.4
466.20102	1.3
483.22119	100.0
484.22485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01886	1.5
55.05494	2.3
57.03417	1.4
57.07062	1.1
65.03947	0.9
67.05489	3.2
69.03440	4.0
69.07066	2.5
70.06591	1.3
71.04971	1.1
71.60194	1.3
78.98386	0.7
79.05490	3.2
80.30489	0.7
81.03416	3.8
81.07057	4.4
83.04984	2.1
84.08156	1.0
85.02901	4.3
85.06557	0.9
87.27885	0.9
88.00615	0.7
89.94386	0.7
91.05477	3.4
91.28472	0.8
93.07036	3.2
95.04967	2.5
95.08604	2.9
97.02898	1.6
97.06539	2.1
98.97585	1.8
99.04456	1.3
105.07018	2.8
107.04956	1.2
107.08585	2.6
109.02867	3.3
109.06516	1.8
109.10184	3.6
117.06981	1.0
119.04955	0.9
119.08578	1.4
121.06461	0.9
121.10155	1.9
123.04395	0.8
123.08019	0.9
123.11719	0.9
127.03912	3.0
130.06540	1.5
131.04924	1.0
131.08563	1.1
132.08034	0.8
133.06453	0.8
133.10147	2.1
134.09669	1.0
135.08054	1.3
135.11687	1.2
136.88695	0.8
137.05974	1.5
142.07701	0.9
145.04865	0.7
145.10089	1.2
146.06018	4.9
147.04408	2.4
147.08093	1.2
147.11642	1.0
149.05949	1.4
149.09622	1.2
151.03874	0.8
156.13911	0.9
157.10115	1.2
158.06029	1.5
159.02844	0.9
159.11679	1.7
160.07622	1.3
161.09608	1.0
167.07042	1.9
173.13283	1.4
175.04019	1.2
177.05495	2.1
181.04988	1.1
217.15826	1.2
235.08678	15.1
235.16893	1.9
238.96146	0.9
299.11667	1.1
303.63925	0.9
305.12866	1.4
307.14236	0.7
313.06934	1.3
317.12720	2.0
321.16617	1.3
425.08560	1.8
438.21899	5.4
438.94531	0.8
448.20142	1.4
466.21323	4.5
483.13605	7.7
483.21985	100.0
484.22009	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	483.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36182	1.7
70.97958	3.4
91.05425	2.2
98.97570	2.2
115.05443	2.3
118.06560	16.0
120.08068	2.6
132.08069	4.6
142.08975	2.1
144.08095	11.3
146.06027	66.5
146.17014	1.9
146.44505	2.0
159.09221	6.1
163.03912	5.3
170.06013	5.6
177.05444	3.8
182.08167	1.8
188.07076	100.0
205.09737	33.0
237.00740	2.5
243.23045	2.0
255.01871	2.9
285.12173	2.9
303.13531	3.1
321.14539	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.6
57.03435	7.7
57.07063	12.4
58.21086	2.7
66.16650	3.0
67.05504	6.7
69.07082	26.1
69.98479	10.4
71.08620	6.0
72.98813	2.6
79.05491	3.2
81.07059	11.5
83.08620	20.6
84.74506	2.9
85.10183	5.3
91.20349	2.7
93.07077	4.3
94.75375	3.1
95.08619	5.1
97.06548	4.5
97.10175	14.9
97.80794	3.2
98.98471	10.3
107.08591	5.2
109.10155	3.5
111.11772	3.5
121.10133	4.6
146.05594	2.6
155.01028	4.5
311.25845	100.0
372.63440	3.5
375.78888	3.0
430.75153	3.4
447.24991	5.1
483.31104	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	484.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
56.96569	2.1
57.06815	1.6
57.07082	28.3
57.65659	1.3
69.07066	2.3
70.32377	6.0
71.08267	2.0
71.08636	27.1
73.06568	8.4
81.07034	2.9
83.08601	4.5
85.10188	25.2
87.04465	3.8
89.06038	100.0
93.07057	1.6
95.08604	3.5
99.11723	2.6
105.07031	2.2
107.07082	3.6
109.10191	2.1
114.25147	1.3
117.09154	6.1
133.07623	2.7
133.08614	43.6
141.16370	5.0
154.94151	2.5
157.10170	1.4
168.95728	2.3
172.95282	3.6
177.09804	1.9
177.11238	19.6
185.19025	5.3
186.96761	10.3
189.12686	1.3
204.97810	3.4
221.13853	2.5
229.21648	10.9
239.14948	1.9
271.40216	1.3
273.24197	5.7
283.17566	2.9
317.17917	10.3
327.20078	9.4
330.40381	1.3
335.19031	2.0
423.33536	1.6
449.97491	1.4
453.16797	1.4
467.36090	11.2
471.18121	3.0
484.31161	2.5
485.19794	1.6
508.77530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16562	3.9
53.60151	4.1
60.93325	3.4
69.28822	17.6
69.29250	16.6
98.21523	6.4
98.97581	18.5
116.98599	10.1
134.99715	5.1
174.97667	5.1
177.00970	5.9
216.95435	4.5
216.98756	7.8
219.01991	9.4
228.67702	3.8
232.96718	8.1
234.96454	11.9
234.99841	9.0
236.99567	5.8
240.98926	5.1
252.97594	5.2
256.96732	14.1
258.96536	23.0
258.99872	36.2
260.00040	5.9
261.00281	5.9
261.03061	35.6
263.55783	4.4
274.97681	20.1
275.97882	10.2
276.97598	38.6
277.00992	27.1
279.00867	5.7
283.00006	70.3
284.00104	13.4
284.99741	20.0
294.98639	6.1
298.97739	30.0
299.97803	12.4
300.97525	54.9
301.01050	84.4
302.01151	13.4
303.00922	15.8
316.98834	40.2
317.98929	15.1
318.98703	78.0
360.99698	11.5
385.03375	7.6
406.99664	4.7
418.98343	14.2
419.97775	6.6
425.01578	33.9
426.01187	7.2
442.98700	80.7
443.02933	28.7
444.02850	7.3
445.02438	8.6
460.99918	100.0
485.00449	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	485.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01879	0.9
57.03437	1.7
65.03932	2.5
67.05521	0.6
69.03430	3.9
70.06592	2.8
70.85154	2.1
71.01357	1.0
71.04989	2.0
72.08161	1.8
79.05515	1.3
81.03418	2.3
81.07043	0.8
82.06589	1.3
83.04960	1.1
84.08133	2.0
85.02921	5.2
86.09706	1.6
89.03901	0.9
91.05488	25.7
95.04958	1.7
97.02880	3.3
98.91757	0.7
98.97598	1.8
99.04475	3.7
103.05418	1.1
105.07037	1.0
107.04932	1.4
107.08596	0.9
109.02865	2.6
110.07204	0.7
112.29063	0.7
116.98667	0.9
117.03346	1.4
117.05479	2.1
119.04955	34.2
120.08165	0.8
121.02886	1.1
123.30464	0.7
127.03936	2.8
128.07086	3.4
129.07436	1.1
129.38446	0.7
131.08640	0.7
132.02100	1.7
133.02856	0.9
135.04465	1.2
136.05183	1.0
137.05919	0.9
142.61342	0.7
145.02853	3.4
147.04419	46.7
148.04837	1.1
149.02351	1.4
149.05992	1.3
149.36813	0.7
153.53957	0.8
157.04012	4.0
160.07602	1.7
164.04689	1.9
175.03922	47.7
176.04529	1.0
177.00775	0.7
177.05472	4.8
179.06998	2.1
191.06978	1.0
203.03333	0.7
207.06543	100.0
208.06906	2.5
225.07512	1.0
231.18315	0.9
323.05502	0.9
337.07169	1.7
346.47824	0.9
449.08426	1.2
451.16000	0.8
467.09848	1.7
485.19077	4.3
500.04294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.96549	0.6
65.03947	2.1
67.05492	2.0
69.03411	0.9
69.07062	1.2
70.29029	1.4
70.29430	1.2
79.05505	1.2
81.03403	1.1
81.07079	3.0
81.07444	0.6
85.02927	0.9
91.05484	15.0
93.07024	1.7
95.04979	0.9
95.08614	2.3
97.06522	1.9
98.97585	1.2
105.07038	2.0
107.04963	1.4
107.08567	1.6
108.02908	0.6
109.10152	2.0
117.07079	0.8
118.47330	0.6
119.04954	30.2
119.08601	1.6
121.02930	0.8
121.10139	1.1
123.08073	0.7
125.09612	0.7
130.06540	2.0
131.08597	0.9
133.10153	1.2
135.11658	0.6
137.05989	3.7
145.10144	0.9
146.06038	1.4
147.04420	100.0
149.05975	0.6
151.07593	1.2
158.05978	3.1
159.11644	0.7
160.07585	1.1
164.41327	0.6
165.09117	1.0
170.06000	0.7
170.09727	1.3
177.05492	0.9
183.06776	1.3
184.07588	1.4
192.35135	0.7
198.09174	8.6
201.80496	0.7
210.09485	0.9
215.11859	1.5
224.08051	0.9
276.10229	2.5
290.11740	1.0
297.12903	0.7
307.12302	0.7
309.26242	0.7
313.12064	1.2
322.14380	20.2
323.14520	0.7
333.09393	0.7
339.17065	7.7
344.12927	1.3
361.15482	4.1
368.89365	0.7
467.22159	0.9
468.17920	1.8
485.21713	1.4
485.28937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00106	2.3
55.05516	4.7
57.03449	6.1
57.07082	25.8
67.05512	6.4
69.07069	5.7
70.06674	2.7
71.05109	5.5
71.08630	18.5
79.05518	2.8
80.87772	2.7
81.07059	11.5
82.04845	2.7
83.08624	7.4
85.10193	8.4
91.64304	2.5
94.99397	3.0
95.08587	12.7
98.98460	5.8
105.07145	2.9
109.10148	4.1
119.71816	3.0
135.11818	2.7
149.54594	3.3
155.01094	3.1
159.11732	2.5
218.24797	2.9
297.57053	3.1
313.27377	100.0
409.13751	2.9
438.80087	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05514	9.5
56.05014	1.0
57.03428	2.8
57.07074	1.9
58.99590	17.1
67.05170	2.2
67.05511	35.8
69.03435	2.6
69.07078	8.2
70.06587	1.8
70.12206	1.3
70.12554	4.0
71.04994	2.3
72.08121	1.1
76.02232	61.8
76.03983	2.6
76.18729	0.9
79.05490	11.2
81.03414	2.3
81.07063	29.4
83.04970	1.6
83.06110	4.4
83.08623	3.1
84.04510	21.1
85.01143	2.3
85.02899	2.1
86.06076	1.2
86.99068	5.6
87.02677	2.0
88.02204	1.8
91.05495	7.8
93.07056	14.2
95.04977	4.5
95.08615	48.7
97.06523	2.7
98.20725	1.1
98.97568	1.4
99.05563	1.3
102.05566	0.9
105.07038	11.1
107.04930	1.3
107.08599	7.6
109.02865	1.3
109.06539	4.8
109.09454	2.1
109.10168	31.7
111.08096	1.6
112.08465	1.2
113.04234	1.7
116.00878	1.4
116.01685	22.3
117.07000	2.0
119.04954	1.2
119.08607	13.9
121.10139	4.2
123.08105	5.0
123.11723	1.3
127.03896	1.1
129.06609	4.7
130.05008	7.3
130.06866	3.5
130.08640	1.5
131.08542	2.0
133.10141	6.0
134.09631	2.3
135.11720	1.7
137.09589	4.9
139.05743	1.2
139.82628	1.0
142.03198	4.5
144.01137	11.9
145.06114	2.1
147.04451	1.2
149.09564	1.3
151.14830	18.5
157.10205	1.7
159.11676	1.1
160.07344	0.9
161.09564	1.2
161.13261	11.2
162.02216	43.7
167.05231	1.4
170.02721	2.7
176.14345	1.0
177.05412	2.1
178.15892	1.3
179.04868	100.0
179.14326	36.9
187.05382	3.9
192.14301	1.0
203.14409	1.3
211.02858	0.9
215.04909	1.5
216.06981	1.6
233.05916	18.5
233.09473	1.9
236.14587	2.5
237.13100	3.3
245.05899	2.8
259.09662	1.8
290.17557	1.6
291.06339	1.9
308.09119	12.7
339.17450	13.0
357.18311	1.9
393.18381	1.5
411.19550	16.6
412.19888	1.0
427.20349	1.1
468.21490	4.7
486.22687	3.8
487.25711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.83763	0.4
55.05509	0.8
57.03442	0.5
61.02904	0.4
67.05492	1.7
69.03423	2.1
69.07059	1.5
70.06303	0.4
70.06595	4.4
71.04987	0.5
71.06924	0.6
71.61407	0.4
72.08163	0.6
74.94673	0.4
75.22806	0.4
79.05496	1.2
80.81904	0.4
81.03409	1.7
81.07073	2.1
83.04978	0.8
84.08125	0.8
85.02921	2.0
85.06540	0.6
86.09705	5.2
87.10056	0.6
91.05462	2.3
93.07041	1.5
95.04974	0.7
95.08606	1.7
97.02902	1.5
97.06538	0.7
105.07024	1.3
107.04944	0.5
107.08588	1.3
109.02864	0.9
109.06506	0.6
109.10139	1.3
115.05454	0.5
119.04928	1.5
119.08576	1.4
121.06496	0.7
121.10141	0.8
123.11723	0.7
127.03922	0.7
128.57959	0.4
130.86200	0.4
133.02847	1.3
133.10196	0.6
135.04442	0.5
135.08064	0.8
135.11703	0.6
137.05940	1.4
139.38702	0.4
145.02817	0.7
145.10123	0.6
147.04402	1.9
163.03920	1.0
163.07515	0.6
163.11119	0.5
167.07047	0.9
175.03894	1.2
175.14888	0.5
177.05554	1.0
199.18074	0.8
201.05545	0.6
207.06462	2.3
229.15530	1.2
237.02779	0.7
239.08325	0.5
259.07709	0.6
260.10004	0.8
265.08438	0.5
269.12320	0.8
287.34467	0.5
293.08142	0.5
295.26370	0.5
302.08560	0.4
307.26221	0.6
313.07007	1.6
325.10580	2.3
325.16241	2.5
325.27426	0.9
469.14520	0.6
469.20505	1.1
487.21466	100.0
488.21945	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	487.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.9
69.62167	2.6
70.06596	3.3
71.06908	0.6
72.08158	0.5
79.79937	0.3
81.03407	0.6
81.07060	0.4
81.16296	0.4
85.02897	0.8
86.09711	4.1
91.05479	1.1
95.04958	0.4
98.06940	0.4
103.05434	0.4
105.07019	0.7
119.04930	0.4
121.52130	0.4
127.03928	0.6
129.10255	0.5
133.02895	0.6
133.10202	0.4
135.08118	0.5
136.07607	0.4
137.05960	0.5
147.04375	0.6
149.09509	0.5
157.15266	0.4
163.03905	1.0
170.92857	0.4
175.03922	0.6
177.05495	0.5
184.01649	0.4
199.18050	0.7
203.05266	1.1
207.06564	0.6
229.15378	0.7
246.63689	0.4
259.07834	1.2
310.66360	0.4
313.07062	1.7
325.10712	0.6
325.16095	1.5
386.96063	0.5
443.19150	0.4
487.21469	100.0
488.21756	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55038	0.3
51.02380	0.3
52.90712	0.2
53.03938	0.3
53.93102	0.3
55.05518	0.3
56.96565	0.3
67.05510	0.7
68.42948	0.3
69.03432	0.7
70.02955	0.6
70.06583	0.9
70.86852	0.8
71.63700	0.3
72.08154	0.7
73.02951	0.4
74.70409	0.3
81.03392	0.5
83.04987	1.2
84.04496	0.5
84.08135	1.1
85.02911	1.0
86.09710	0.9
88.04001	5.0
89.03915	1.2
91.05478	0.3
91.56169	0.3
93.03399	0.4
95.04954	1.2
96.08115	0.5
98.97586	0.7
107.04948	0.5
110.07231	0.4
111.04444	1.4
114.27566	0.3
117.03387	0.6
121.01084	2.0
124.07618	0.3
127.03964	0.5
129.10324	0.3
130.04933	0.4
135.04408	1.3
136.07639	0.4
137.00700	0.3
137.05960	0.3
145.02847	1.2
146.03200	0.4
147.04408	0.4
149.00571	6.5
150.82224	0.3
151.03952	0.3
157.05017	0.4
160.07588	0.7
162.09203	0.4
163.02443	0.6
163.03914	6.3
164.04315	1.4
165.00104	1.3
166.00830	2.4
167.06978	0.4
177.05551	0.4
179.06943	0.5
181.03128	0.6
192.99524	1.6
194.00342	31.1
207.01105	3.3
208.04314	0.6
208.09724	0.8
209.02684	100.0
210.03001	0.8
252.02353	0.3
254.04872	1.2
258.94907	0.3
283.13300	0.6
284.13593	0.3
296.05920	1.6
301.14240	0.7
310.61292	0.5
371.70529	0.3
380.15808	0.4
439.17609	0.5
440.17853	0.5
453.08258	0.3
470.11151	2.9
470.17422	0.4
470.19666	0.3
488.13266	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	488.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55038	0.3
51.02380	0.3
52.90712	0.2
53.03938	0.3
53.93102	0.3
55.05518	0.3
56.96565	0.3
67.05510	0.7
68.42948	0.3
69.03432	0.7
70.02955	0.6
70.06583	0.9
70.86852	0.8
71.63700	0.3
72.08154	0.7
73.02951	0.4
74.70409	0.3
81.03392	0.5
83.04987	1.2
84.04496	0.5
84.08135	1.1
85.02911	1.0
86.09710	0.9
88.04001	5.0
89.03915	1.2
91.05478	0.3
91.56169	0.3
93.03399	0.4
95.04954	1.2
96.08115	0.5
98.97586	0.7
107.04948	0.5
110.07231	0.4
111.04444	1.4
114.27566	0.3
117.03387	0.6
121.01084	2.0
124.07618	0.3
127.03964	0.5
129.10324	0.3
130.04933	0.4
135.04408	1.3
136.07639	0.4
137.00700	0.3
137.05960	0.3
145.02847	1.2
146.03200	0.4
147.04408	0.4
149.00571	6.5
150.82224	0.3
151.03952	0.3
157.05017	0.4
160.07588	0.7
162.09203	0.4
163.02443	0.6
163.03914	6.3
164.04315	1.4
165.00104	1.3
166.00830	2.4
167.06978	0.4
177.05551	0.4
179.06943	0.5
181.03128	0.6
192.99524	1.6
194.00342	31.1
207.01105	3.3
208.04314	0.6
208.09724	0.8
209.02684	100.0
210.03001	0.8
252.02353	0.3
254.04872	1.2
258.94907	0.3
283.13300	0.6
284.13593	0.3
296.05920	1.6
301.14240	0.7
310.61292	0.5
371.70529	0.3
380.15808	0.4
439.17609	0.5
440.17853	0.5
453.08258	0.3
470.11151	2.9
470.17422	0.4
470.19666	0.3
488.13266	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.91660	1.0
53.03939	2.6
55.01876	1.9
55.05513	19.1
57.03429	4.3
57.07077	2.6
59.04993	3.8
62.69944	1.0
65.03948	3.4
67.05508	85.3
69.07075	13.5
69.85029	2.2
69.85442	3.7
71.04993	2.8
76.36039	1.0
79.05494	34.3
81.07060	44.9
83.04983	2.1
83.08629	10.6
85.06554	3.2
91.04948	2.0
91.05484	27.4
93.07054	36.9
95.04978	3.1
95.08610	32.7
97.06541	3.8
97.10188	3.3
98.20789	1.2
105.04597	1.1
105.07032	24.0
107.08598	22.9
109.06535	1.8
109.10160	49.3
111.08080	3.1
115.05434	1.1
117.07031	8.7
119.08586	29.0
119.70200	1.0
121.10143	16.3
123.08089	1.9
123.11720	3.8
125.09647	2.5
128.06271	1.2
129.07018	4.3
131.08568	13.4
133.10141	17.0
135.11693	9.7
137.09645	3.1
137.13193	1.2
143.08595	4.7
145.10118	14.5
147.11707	10.8
149.13263	5.6
152.44318	1.0
155.08476	2.2
155.10681	2.8
157.10150	5.0
159.11728	9.6
161.13297	6.6
163.14832	3.1
169.10176	3.3
171.11659	6.0
173.11757	11.7
173.13315	7.3
175.14877	3.6
177.05481	2.0
181.84752	1.1
183.11737	2.5
185.13303	3.2
187.11374	1.0
187.14812	3.4
194.38634	1.1
195.11691	1.6
197.13269	1.3
199.14900	3.1
211.14922	1.5
213.14760	2.0
213.16573	1.9
225.16382	1.5
239.17932	1.7
261.22131	5.6
285.22287	2.5
287.23828	2.0
299.23462	1.5
317.24823	1.8
363.25348	1.6
377.27203	2.5
379.29874	8.8
397.31097	10.6
415.32199	2.7
471.34805	11.4
489.35843	100.0
490.36053	2.4
513.94232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.73676	1.4
53.03939	1.7
53.91898	1.4
54.96846	1.5
55.05511	11.9
56.28723	1.4
57.07061	2.9
59.05008	2.2
65.03938	1.5
67.05508	32.3
69.03436	3.8
69.06750	2.0
69.07072	18.3
69.45434	4.4
69.45855	7.7
71.04980	3.2
79.05493	11.8
81.07061	27.5
83.04981	4.4
83.08609	9.9
83.57185	1.5
85.06534	3.3
91.05485	8.0
93.07050	18.9
95.04987	1.9
95.08614	39.7
97.06470	2.2
97.10179	4.6
98.20706	2.9
105.07033	10.2
107.08599	36.7
109.06507	2.7
109.10165	42.2
111.08059	2.9
111.11718	7.0
117.07047	2.3
119.08585	10.4
121.10155	13.6
123.08068	1.6
123.11694	9.6
125.00216	1.4
125.09636	40.3
125.17883	1.6
131.08563	5.4
133.10123	7.4
135.11685	10.3
137.13266	5.8
143.08586	2.3
143.10695	2.9
145.10161	7.3
147.08096	2.2
147.11693	5.3
149.09642	3.2
149.13229	7.7
151.14830	2.4
153.09123	9.7
157.10205	2.9
159.11700	6.7
161.13268	3.6
163.14850	6.3
169.10182	2.4
171.10178	58.0
171.11568	2.4
173.11790	2.9
173.13316	4.1
175.14862	3.4
177.16402	3.5
179.10674	2.7
185.13290	2.7
187.11218	3.6
187.14844	2.5
187.29306	1.4
189.16510	1.9
197.08109	3.0
197.11823	5.8
201.12842	2.6
205.19594	5.3
217.19560	2.0
219.21239	2.1
233.11696	2.6
235.00931	1.4
247.13368	2.1
255.24731	1.5
365.67114	1.6
383.29410	3.2
425.33997	2.2
443.35141	3.1
453.33554	14.0
454.34003	2.5
471.34952	13.4
489.35818	100.0
490.36038	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	490.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.4
55.05515	54.1
56.96565	9.4
57.03446	10.7
60.09284	7.6
67.05515	46.6
69.03426	24.6
69.07082	65.1
70.06594	12.1
71.04967	7.7
71.60291	14.6
71.60645	8.7
79.05504	61.3
81.03416	21.4
81.07059	67.1
83.04993	20.8
83.08614	22.8
85.02898	28.2
91.05469	49.2
93.07066	55.6
95.04978	25.0
95.08615	46.2
97.02879	18.3
97.06531	12.5
97.10184	44.7
99.04453	9.8
105.07049	48.8
107.04954	20.0
107.08603	79.3
109.06490	10.9
109.10160	26.6
111.08073	10.3
117.07025	10.5
119.04966	10.8
119.08599	35.9
121.06535	13.9
121.10153	33.2
123.11710	10.8
125.09647	34.6
127.03918	14.0
131.08594	21.1
133.10141	30.7
135.08067	16.3
135.11722	13.1
137.05940	9.5
143.08563	11.1
145.10124	27.7
149.09662	12.5
159.11713	20.9
161.13295	9.4
163.11234	15.8
165.09039	10.2
175.11203	7.8
177.12776	10.3
177.40210	7.7
189.11285	36.5
190.72575	7.2
255.48204	9.7
257.19000	12.9
259.45749	8.3
264.71048	8.1
275.20105	100.0
293.21207	60.0
349.24057	11.2
362.63950	9.0
418.83173	9.0
490.19174	13.7
490.31577	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	490.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13363	0.2
53.03946	0.3
55.05509	1.3
57.07059	1.0
67.05498	1.1
69.07077	1.5
71.08637	0.3
71.30727	0.5
79.05494	2.2
80.01373	1.8
81.07053	1.5
83.08600	0.6
91.05491	1.1
93.07039	0.6
95.08621	1.3
97.10146	0.3
105.06998	0.3
106.06565	2.2
107.04982	0.4
107.08581	0.7
108.08160	0.5
109.10159	1.3
116.05022	1.3
119.08608	0.3
121.10108	0.4
123.11761	0.3
124.07601	0.6
132.08084	0.5
134.06013	18.1
134.63896	0.3
135.11662	0.3
136.07578	9.0
137.08362	1.8
140.07101	0.3
144.44370	0.2
147.11682	0.3
148.07565	0.7
150.09149	0.9
151.09865	0.3
152.07056	4.8
160.07599	1.0
161.08322	0.5
162.09151	2.1
164.07085	0.3
164.10762	0.3
166.08640	0.8
168.06566	0.3
172.96445	0.3
174.09163	0.8
175.09996	0.3
176.07127	0.8
176.10674	2.7
177.11464	0.4
178.08633	7.5
179.09402	2.6
180.06570	2.8
180.10182	1.5
182.08347	0.3
187.14914	0.3
188.07047	0.4
188.10728	0.8
190.08649	0.5
190.12315	0.8
192.10234	0.4
194.08051	0.4
194.11696	0.2
202.12334	1.6
204.10225	1.0
204.13931	0.4
205.11122	0.3
206.08113	14.2
214.12216	0.4
216.13855	0.4
218.11821	0.5
221.44838	0.3
224.09135	2.3
228.13954	0.3
232.13422	0.5
238.10808	0.3
308.18738	0.3
387.59015	0.2
400.35727	6.5
410.34134	1.2
428.35181	5.1
436.96588	0.3
437.34561	0.3
446.36328	1.1
455.35263	0.6
472.38651	0.4
490.38925	100.0
491.39178	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	491.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.7
55.01826	0.8
55.05449	3.2
55.05690	1.2
56.96526	0.8
64.40438	0.6
65.03890	1.2
67.01826	1.1
67.05442	5.8
68.99755	1.0
69.03392	1.7
69.07011	2.9
71.04945	1.4
71.60245	0.9
77.03893	0.7
79.05496	5.8
81.03391	1.8
81.07066	8.3
83.01261	0.9
83.04946	1.2
83.08563	2.0
85.02892	1.4
85.06473	1.3
91.05478	7.3
92.20721	0.7
93.07066	6.3
95.04928	1.6
95.08595	5.9
97.02862	1.5
97.06443	1.8
97.10124	1.5
99.08060	1.2
102.04689	10.0
103.05472	11.4
105.07034	7.8
107.04892	2.7
107.08599	5.4
109.06452	2.3
109.10153	4.6
115.05440	4.8
116.06170	1.6
117.03340	0.9
117.06942	2.1
119.04886	3.0
119.08516	3.3
121.02801	1.7
121.06421	2.9
121.10052	3.3
123.04400	1.0
123.08043	0.8
123.11645	1.9
125.05956	0.9
125.09577	1.4
128.06113	0.8
129.06908	1.8
130.04144	9.0
131.04941	8.7
131.08482	2.5
133.06476	3.5
133.10043	3.3
135.04367	0.8
135.07959	1.7
135.11621	2.1
137.05893	2.7
137.09502	0.9
141.06819	0.9
143.08502	1.6
144.05652	1.8
145.06415	1.2
145.10022	2.5
146.03537	2.9
147.04405	10.2
147.11644	1.0
149.02254	0.8
149.05884	3.3
149.09521	1.8
151.03880	3.7
151.07495	0.9
153.01833	39.3
155.08432	0.7
157.06458	1.2
157.10034	0.8
159.11649	1.4
161.05977	10.3
161.09592	0.9
162.06766	16.5
163.07500	1.0
163.11122	0.8
165.09155	4.8
167.06978	2.0
173.55315	0.8
175.14572	0.7
177.05441	1.2
185.06065	1.1
185.13020	0.9
187.14729	1.2
191.10506	0.8
195.06540	0.8
197.06013	1.7
201.05327	1.8
202.06161	1.5
205.12065	1.1
206.38446	0.7
212.04663	1.2
213.05482	15.4
216.04149	0.9
219.13744	0.9
227.03409	3.4
227.12642	0.8
228.04178	1.4
229.04837	2.5
230.05698	2.6
240.04128	2.6
241.04964	27.5
242.05682	1.8
243.02771	1.6
243.06628	3.7
253.04987	1.2
255.02956	2.0
255.06526	13.0
256.07251	3.7
258.05289	5.7
268.03751	2.0
269.04480	8.8
270.05157	2.1
271.02316	0.8
271.06030	1.3
273.07590	8.6
283.05981	3.7
284.03436	1.4
284.06750	4.4
285.03778	1.3
285.07462	1.5
286.04678	11.6
286.08322	4.1
287.05453	1.2
298.04654	2.5
299.05566	9.0
300.05930	0.9
301.03476	2.6
301.07040	7.6
311.05411	3.3
312.06201	1.6
313.03519	1.4
313.07062	11.1
314.04285	2.1
314.07834	18.5
315.05051	4.9
316.05716	2.3
328.05786	1.2
329.06577	38.6
330.07233	3.0
331.08160	6.6
367.22842	1.5
385.23795	1.9
431.11310	1.1
459.10770	100.0
459.27457	2.5
460.11279	2.3
491.13391	37.1
491.25247	1.7
491.30487	2.3
491.58411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99940	1.5
56.99073	1.4
69.03424	3.8
70.06573	4.5
71.59836	2.3
79.05507	1.4
81.03401	3.7
81.07068	2.8
83.08604	1.7
84.08138	2.1
85.02911	4.4
89.03927	6.7
91.05488	5.8
97.02914	1.8
98.97596	2.6
99.04461	3.0
103.05507	3.4
106.54438	1.5
107.04955	3.4
109.02891	3.6
117.03391	21.4
119.08630	1.5
131.04913	4.3
137.02330	2.0
137.05992	2.7
145.01724	3.5
145.02849	53.5
149.05980	8.0
149.09589	2.0
149.95897	1.4
151.03911	1.6
155.26782	1.7
167.06966	2.4
175.03825	1.7
177.05473	100.0
178.05812	1.5
181.04886	1.5
206.65160	1.6
207.06601	2.8
237.02832	1.7
310.04446	2.3
321.09445	2.1
329.06595	13.8
339.10638	3.4
353.06589	3.1
455.09683	1.7
491.14807	4.6
491.20987	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	491.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78347	2.0
63.65475	1.7
65.03934	3.0
67.05508	3.7
69.03422	4.2
70.06579	5.8
71.59449	1.9
71.59841	2.1
72.08138	3.1
81.03420	3.7
81.07023	2.5
83.04993	2.4
85.02904	8.6
86.09723	5.2
86.62290	2.1
87.04462	2.2
87.37860	1.9
91.05477	23.1
93.07055	2.5
95.04992	3.3
95.08621	3.3
97.02889	3.1
98.97607	5.1
100.33270	2.0
104.07055	2.8
107.08617	2.2
109.06535	2.4
119.04950	27.7
119.08578	2.3
120.08077	2.8
121.02894	2.4
121.10159	2.1
127.03931	3.5
135.04401	2.1
135.08057	2.2
137.05981	3.5
140.84180	1.7
147.04405	24.6
147.11702	2.3
149.09602	5.3
157.03987	2.9
158.99586	2.2
175.03922	41.1
179.07040	4.1
181.05006	14.6
191.14297	7.9
205.04689	6.4
207.06541	100.0
208.06906	2.8
209.15318	4.8
258.82809	2.2
276.46039	2.3
283.05902	3.3
311.05545	4.4
329.06592	35.5
344.43896	2.1
351.10709	3.0
353.06595	3.3
369.11880	5.1
371.07462	3.2
451.38037	1.9
491.15308	8.8
491.21631	5.6
491.31821	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	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01864	3.3
55.05512	33.5
56.96553	1.4
57.03439	1.9
60.44725	0.9
60.54402	0.9
65.03944	1.5
67.05508	21.6
69.03439	6.0
69.07069	7.4
71.04980	2.8
71.59855	1.1
71.60285	1.0
79.05052	1.3
79.05492	21.1
81.03419	10.0
81.07056	24.5
83.04978	5.3
83.08614	17.6
85.02885	1.8
85.06528	2.8
87.04475	1.7
91.04952	1.3
91.05486	15.3
93.07050	15.2
95.04964	9.1
95.08607	10.7
97.02888	3.1
97.06528	3.3
97.10172	30.3
97.71880	1.0
98.97599	1.4
99.00816	0.9
99.04413	1.1
103.05458	1.1
105.07037	11.6
107.04967	14.8
107.08595	13.5
109.02863	3.3
109.06517	8.6
109.10163	13.8
111.04397	1.9
111.08070	3.1
115.05431	2.4
117.07031	8.4
119.04916	1.5
119.08578	10.9
121.02869	2.5
121.06516	9.0
121.10158	6.5
122.07217	1.7
123.04351	1.3
123.08044	1.9
123.11687	9.4
125.09636	24.9
128.06187	2.3
129.06969	3.3
131.04906	1.4
131.08577	8.0
133.06470	2.4
133.10155	6.9
135.08008	6.9
135.11667	3.6
137.05998	6.5
137.09633	13.6
139.07574	1.5
139.11209	1.4
143.08531	3.3
143.10693	1.6
145.06493	1.9
145.10117	5.6
147.04398	2.2
147.08009	2.7
147.11646	2.7
149.02386	1.7
149.05957	1.3
149.09602	2.9
151.11172	1.1
153.01917	1.1
153.06999	1.6
153.09073	2.9
155.08569	1.1
155.10684	1.1
155.81383	1.0
157.06473	1.2
157.10143	2.3
159.08112	1.6
159.11697	3.4
161.06015	1.7
161.09563	3.6
161.13374	1.3
163.11192	4.6
165.09119	100.0
166.09540	1.0
167.07021	1.8
171.08145	1.3
171.10204	1.1
171.11655	2.7
173.13248	3.6
175.07573	1.4
175.11201	3.1
177.12773	1.7
181.04875	1.2
183.10197	1.1
183.11720	2.0
185.13275	2.3
187.11133	1.6
189.09143	2.8
189.11200	17.9
189.12868	1.4
191.14293	4.4
192.61273	0.9
193.04906	1.1
193.12206	3.7
195.06514	1.6
195.11845	1.2
201.11153	1.6
201.12881	1.7
203.10678	1.0
203.14243	1.2
211.11047	1.2
215.14308	1.4
219.11726	1.5
219.13805	24.6
225.11200	2.3
227.10701	1.5
227.12746	9.8
229.12180	1.4
245.11414	1.0
263.12732	5.5
263.78525	1.0
271.16733	1.1
275.16452	1.1
339.25131	1.3
349.21454	1.1
353.21146	2.1
355.08105	1.3
355.22510	1.0
363.19238	1.3
367.22626	3.4
371.22156	4.7
381.20560	1.2
385.23764	2.4
389.23209	5.0
399.21472	3.5
417.22357	1.4
424.78021	1.0
433.24741	0.9
445.26022	8.3
459.10895	1.1
459.27405	4.9
463.26672	6.3
473.24619	6.0
491.13144	3.7
491.25668	29.6
492.26456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.3
53.03934	0.7
53.70570	0.3
55.01858	0.8
55.05512	3.2
57.03440	0.6
57.07051	0.5
65.03939	0.5
67.05509	7.9
69.03410	1.1
69.07069	1.2
69.38473	3.2
69.38840	0.4
69.38982	0.4
71.04983	1.2
78.48222	0.3
79.05494	5.0
80.95559	0.3
81.03426	1.0
81.07061	8.3
83.04980	0.7
83.08612	0.9
85.02932	0.5
85.06538	1.0
87.83921	0.4
91.05476	4.2
93.07056	5.0
95.04988	2.5
95.08614	5.2
97.06501	0.8
97.10169	1.6
98.20776	0.7
105.07037	2.0
107.04958	4.2
107.08613	3.3
109.02860	0.4
109.06516	1.9
109.10163	8.4
111.08081	0.7
115.05466	0.4
117.07003	1.3
118.06561	0.8
119.08587	3.8
121.06515	3.0
121.10140	2.0
122.07321	1.9
123.04362	0.6
123.08099	0.8
123.11719	7.1
125.09603	1.7
129.06984	0.7
131.04936	0.6
131.08582	2.3
133.10097	1.1
135.08087	0.7
135.11720	0.9
137.05974	0.9
137.09621	12.7
138.45203	0.3
139.07529	0.5
141.07024	0.8
143.08569	0.7
145.06499	1.1
145.10117	1.2
146.06003	1.1
147.08034	0.6
147.11697	0.5
149.09637	1.1
149.13252	0.7
155.10582	0.6
157.10120	0.6
159.08044	0.6
159.11699	0.4
161.09621	0.9
163.11203	0.9
165.09122	100.0
166.09467	0.8
167.07037	0.4
169.10185	0.5
173.09601	0.6
173.11830	0.6
173.13243	0.8
175.11211	0.7
181.12236	0.4
183.10199	0.8
186.10378	0.4
188.07109	1.4
189.11275	0.9
191.14351	0.6
195.06615	0.4
199.13188	0.5
201.11211	1.6
203.14316	0.6
205.12289	0.8
209.11665	0.4
219.13763	1.4
227.12788	0.6
249.14821	0.5
255.69385	0.4
273.14713	0.5
275.16483	0.7
304.19049	0.6
329.06677	0.4
339.25378	1.0
349.21533	0.6
367.22885	2.5
385.23761	2.9
403.24744	0.8
459.10785	0.6
459.27594	4.8
473.29129	1.1
491.30511	7.1
492.29987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3735
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
55.05512	35.8
57.07068	20.1
67.05510	74.2
67.59534	7.6
69.07064	40.9
69.93137	15.4
69.93571	26.4
71.04994	10.6
71.08603	8.6
76.71307	7.5
79.05487	23.9
79.18108	6.7
81.03426	9.7
81.07058	86.3
83.08599	29.8
91.05476	26.2
93.07051	58.6
95.04984	12.3
95.08608	100.0
97.06544	10.4
97.10114	10.1
105.07044	51.4
107.08592	63.6
109.10164	96.5
111.11752	16.8
117.07045	7.8
119.08575	40.6
121.06494	7.0
121.10144	58.6
123.11703	31.4
125.09642	12.0
131.08582	16.4
133.10164	29.9
135.11690	31.9
137.13223	13.9
143.08554	10.7
145.10146	10.5
147.11720	23.0
149.09636	9.9
149.13284	21.3
159.11681	14.6
161.13293	15.1
163.14835	14.3
171.10184	25.7
171.11613	9.4
175.14899	8.1
191.14441	8.6
205.19574	29.1
219.21111	11.0
220.84615	7.6
263.20084	9.2
277.21429	8.9
291.19568	10.4
427.35406	11.6
431.82071	9.1
455.34998	22.0
473.36353	42.8
491.30823	58.6
491.37531	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
60.04510	0.8
67.05460	0.8
69.03433	81.2
69.07055	1.4
70.06602	2.1
71.05000	8.3
71.45321	1.4
76.02225	1.6
79.05487	1.3
81.03404	1.4
81.07040	1.1
83.04979	2.1
83.08611	0.9
84.08159	1.1
85.02914	3.0
85.06558	1.1
89.03928	1.0
91.05488	5.4
93.07047	1.0
97.02905	1.5
98.06070	1.0
98.97600	1.2
105.07077	0.8
107.05000	1.0
107.08595	2.5
109.02966	0.9
111.08106	0.7
113.37068	0.7
117.03365	2.2
117.06996	1.0
119.04943	6.3
119.08603	1.2
121.10155	5.9
124.07579	0.8
127.03760	0.9
129.42026	0.8
131.08560	0.9
133.10146	1.1
135.08061	100.0
137.05991	1.6
145.02846	6.9
147.04408	5.2
149.05977	1.5
163.03851	1.0
167.07059	2.4
173.13257	1.5
175.03912	8.2
177.05481	14.2
191.14316	81.1
192.14664	0.9
207.06532	19.9
209.15413	0.8
224.08336	0.8
241.12111	0.7
315.04822	1.2
330.06885	0.8
331.08221	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	492.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76909	0.7
55.01864	1.3
55.05498	1.1
57.03411	1.0
57.07073	1.9
58.99574	2.4
61.02915	0.9
67.05491	2.0
67.54464	0.6
69.03431	40.3
69.07071	3.3
70.83287	1.1
70.83628	1.4
71.04995	1.3
75.70062	0.6
76.02235	4.1
79.05502	3.0
81.03397	1.0
81.07059	4.7
83.04980	3.4
83.08605	0.9
85.02901	9.2
85.06543	2.2
91.05470	2.4
93.07051	3.7
95.08607	6.3
97.02911	3.2
97.06511	1.7
99.04432	1.2
105.00087	2.1
105.07021	3.7
107.04951	1.3
107.08589	11.6
109.02863	1.4
109.06516	4.3
109.10162	1.4
111.08104	3.1
117.06956	0.8
119.08607	4.1
121.06487	2.4
121.10148	13.0
122.02737	22.3
123.08051	2.9
123.11713	6.4
125.09635	16.6
127.03914	2.1
129.06960	0.7
131.08582	6.2
133.10152	4.3
135.08058	13.8
135.11684	5.1
143.08525	1.3
145.02870	0.7
145.10103	2.8
147.11685	3.1
149.09622	7.9
149.13255	3.2
151.11169	1.6
153.09091	8.1
158.10982	3.0
161.13274	0.8
163.03862	0.7
163.11180	2.6
163.14853	4.3
165.12772	2.6
167.05276	1.3
167.10719	1.5
168.55182	0.6
173.13272	18.9
176.12004	0.9
177.05475	1.7
191.14308	75.8
192.69672	0.6
197.10013	1.3
198.97826	0.7
205.04753	2.8
209.15372	100.0
210.15735	0.8
223.11572	3.6
241.12576	6.3
248.05894	0.9
259.05991	0.8
284.07834	0.8
330.17334	8.2
331.08047	1.3
492.21091	1.0
493.17093	4.2
512.64752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20255	1.0
55.05506	2.7
56.86997	1.0
57.07060	4.0
57.15854	1.0
67.05516	7.7
69.07061	7.1
69.28419	1.0
69.90623	2.2
69.91034	3.5
71.05004	1.8
71.08611	1.6
79.05494	3.5
81.07058	13.6
83.04953	1.0
83.08605	4.4
85.06543	11.5
87.67462	1.0
91.05488	3.3
93.07053	9.2
95.08599	16.8
97.10150	2.2
98.20617	1.3
105.07040	6.3
107.08595	19.3
109.10156	15.1
119.08606	10.9
121.06512	2.1
121.10151	17.8
123.08064	2.9
123.11704	4.6
125.09602	1.4
129.07056	1.2
131.08604	2.9
133.10141	10.2
135.08058	2.1
135.11697	10.2
137.09613	2.7
137.13243	7.2
143.08563	1.7
144.64291	1.2
145.10107	10.7
147.11705	7.9
147.54118	1.2
149.09628	2.4
149.13286	11.3
151.14832	3.2
153.09088	2.7
157.10130	2.1
159.11702	7.7
161.13252	10.6
163.11194	2.6
163.14787	7.0
167.10732	2.5
171.11708	2.3
173.13289	6.4
175.14832	6.4
175.85759	1.1
177.12759	1.5
177.16374	5.3
183.11681	1.2
185.13275	2.4
187.14824	8.6
189.16371	3.4
191.14308	2.5
193.15919	6.5
199.14822	3.6
201.16406	11.7
203.14317	4.6
203.17964	6.3
205.15857	8.8
209.15555	1.5
211.16893	1.6
213.16457	2.7
215.17981	2.7
219.17418	7.1
236.68492	1.3
258.10617	1.3
281.22720	1.9
313.25122	1.8
315.23254	1.9
341.24774	1.1
351.30438	4.3
369.31628	11.0
375.30487	2.3
383.33054	2.2
393.31512	16.1
394.31842	1.2
406.08527	1.1
411.32587	57.4
412.32880	3.9
429.33670	100.0
430.33838	3.0
457.32993	6.3
492.30994	6.0
492.37213	3.5
493.22888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.2
55.05522	26.0
55.13670	9.7
57.07061	21.7
58.19774	9.1
67.05510	45.9
69.07074	52.9
69.88456	30.6
71.80297	8.5
79.05481	21.9
81.07056	63.7
83.08617	21.5
91.05460	13.4
93.07037	35.4
95.08612	77.0
95.37785	10.1
97.10168	21.0
98.21516	9.1
105.07069	10.3
107.08581	49.3
109.10172	100.0
111.11731	31.7
119.08554	14.7
121.10131	24.2
123.11715	40.4
125.09631	37.7
133.10168	20.1
135.11691	19.6
137.13309	16.2
140.32475	9.2
143.10677	12.2
149.13231	15.4
151.14850	15.2
159.11722	13.4
161.13283	22.0
163.14854	61.9
205.19423	22.9
209.15442	13.2
214.61888	10.2
223.17149	11.3
273.25726	29.2
297.25882	13.9
315.26764	32.1
333.20193	9.7
333.27942	47.8
405.74326	9.7
457.37070	52.9
492.37207	42.8
493.32822	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01628	0.5
53.03942	1.1
55.01858	1.0
55.05511	3.4
56.96553	0.6
57.03431	1.0
57.07070	0.8
64.65199	0.4
65.03938	0.6
67.05506	5.5
69.03426	2.1
69.07059	1.8
71.04986	1.4
71.29587	1.1
79.05495	4.9
81.03417	4.8
81.07063	6.3
83.04982	1.6
83.08619	2.3
85.02924	1.2
85.06544	0.8
86.09724	0.5
91.05474	5.0
93.07043	5.0
95.04970	3.7
95.08607	4.5
97.02901	1.1
97.06549	1.0
97.10156	1.4
98.97570	0.7
99.04444	0.9
99.79001	0.5
103.05483	0.9
105.03364	0.5
105.07024	4.8
107.04987	2.6
107.08583	3.6
109.02919	1.1
109.06512	1.5
109.10185	3.1
111.04416	1.3
111.08063	1.2
115.05441	0.6
117.07031	1.9
119.04961	0.9
119.08579	3.3
120.08051	0.5
121.02849	2.3
121.06510	2.1
121.10143	2.9
123.04440	1.2
123.08035	0.6
123.11704	1.5
125.09626	1.7
127.03925	0.9
129.07002	1.4
131.04900	0.7
131.08577	2.1
133.06480	1.2
133.10095	2.3
135.04437	0.9
135.08035	1.1
135.11707	1.4
137.05988	1.7
137.09618	0.8
139.07570	0.6
141.06892	0.5
143.08472	0.7
145.10135	2.0
147.04387	1.4
147.08078	0.9
147.11685	1.5
149.09604	1.4
149.13239	0.6
151.07487	0.6
153.12810	0.7
157.06410	0.8
157.10115	1.6
159.11682	1.1
161.13324	0.6
163.11145	1.7
165.01732	0.6
165.09033	3.1
165.12604	0.6
167.07077	0.6
171.11662	0.5
173.09689	0.8
173.13145	0.7
175.03940	0.8
179.34814	0.6
181.03516	0.5
181.04959	1.3
183.11714	0.8
188.81175	0.5
189.09181	0.5
189.11205	0.9
189.16397	0.5
191.10649	1.1
193.12260	2.6
195.06493	0.8
201.05606	0.7
201.12755	0.6
205.12276	0.6
207.06531	1.3
209.11679	1.3
211.13280	1.5
217.12042	0.6
219.13850	0.5
223.09546	0.7
227.12758	1.5
231.13828	0.9
235.13338	1.0
241.04973	1.6
242.05858	0.8
245.07848	1.4
247.13400	1.1
267.16150	0.5
269.04514	2.3
270.05258	1.6
280.03925	0.5
287.05460	0.8
297.03989	0.8
302.04749	0.6
315.04950	6.5
316.05811	0.6
329.08008	0.7
331.08087	17.3
355.22849	0.9
358.08295	1.9
359.09146	1.6
363.08511	0.8
365.21072	0.7
373.23532	0.6
374.07843	2.2
375.08676	0.6
383.22311	2.5
386.07935	2.1
387.08575	0.6
388.09393	3.7
389.06540	1.7
391.08112	1.7
401.06595	2.1
401.23346	1.9
402.07394	1.9
403.08151	4.7
404.08783	1.1
405.09412	1.3
414.07324	3.2
415.08115	1.0
416.08850	3.5
417.05768	2.5
418.06747	0.9
419.24576	1.2
429.06018	1.6
430.06735	0.8
431.07672	13.7
432.08347	1.9
433.09122	11.0
434.09930	2.4
445.05624	1.0
446.06396	0.7
447.11118	1.2
449.12491	13.1
459.07184	16.5
460.07446	1.2
475.10324	13.3
475.26331	2.3
476.10718	0.6
477.08194	5.2
478.09213	0.7
493.11310	100.0
493.26736	7.0
494.11703	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	493.1343
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.05481	0.2
67.05502	0.2
69.03401	0.6
69.07041	0.2
70.06576	0.4
71.19631	0.2
71.26136	0.2
71.59979	0.3
75.36612	0.2
81.03436	0.5
81.07019	0.2
85.02879	0.5
91.05478	0.4
93.07047	0.2
105.06995	0.2
107.04949	0.2
119.04884	0.2
119.07028	0.2
121.10098	0.2
122.10461	0.2
127.03900	0.2
131.65654	0.2
135.08046	0.4
137.05969	0.4
143.08563	0.2
145.02881	0.3
147.04376	0.3
151.03879	0.2
153.01796	0.5
161.05968	0.2
167.07033	0.2
177.05472	0.4
178.02570	0.4
181.05020	0.4
185.79790	0.2
191.07054	0.2
192.14720	0.2
205.08453	0.2
241.04706	0.2
242.05779	1.8
255.02835	0.3
258.05231	1.6
270.05240	7.6
273.04099	1.2
286.04776	1.2
287.05493	3.5
292.97186	0.2
297.14651	0.3
298.04813	0.2
299.05536	0.6
301.03455	2.0
302.04257	2.1
313.03436	1.1
313.11392	0.2
315.04999	31.4
316.05707	4.3
316.09131	0.3
331.08136	100.0
332.08563	1.9
493.12903	0.7
493.26666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53765	0.1
61.02898	0.3
67.05496	0.2
69.03395	0.5
69.07034	0.1
70.06559	0.5
70.23010	0.1
71.30096	0.2
71.30442	0.1
72.08128	0.3
73.02914	0.2
79.05456	0.2
81.03407	0.2
84.08112	0.4
85.02920	0.6
91.03934	0.2
91.05489	0.2
97.02865	0.4
98.97556	0.2
104.07059	0.3
105.07004	0.2
107.08569	0.3
109.02853	0.2
109.06514	0.1
119.04955	0.2
119.08549	0.2
121.10165	0.2
123.08042	0.1
127.03901	0.2
147.04395	0.2
149.10738	0.3
153.01775	0.5
154.02626	0.3
163.03859	0.2
167.06993	0.2
170.99721	0.1
173.13245	0.2
174.13670	0.2
175.03983	0.3
177.05524	0.3
178.02586	0.4
179.07014	0.4
181.04974	0.4
191.14317	0.4
192.14624	0.4
207.06566	0.3
208.06882	0.1
209.15408	0.4
210.15649	0.3
214.06232	0.2
240.26929	0.2
241.05148	0.1
242.05742	1.6
258.05255	1.9
269.04501	0.2
270.05258	8.1
273.03903	1.3
274.43765	0.1
281.06537	0.1
286.04742	1.3
287.05505	3.5
297.04160	0.2
298.04578	0.2
299.05417	0.7
301.03424	2.2
302.04202	2.3
313.03537	1.0
315.04996	32.9
316.05731	4.1
331.08127	100.0
332.08533	1.6
493.12430	0.6
493.22815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1344
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.44572	0.2
57.03405	0.2
61.02887	0.4
69.03365	1.0
69.92241	1.0
70.01879	0.2
78.48563	0.2
81.03371	0.4
85.02905	2.6
87.04413	0.2
87.49406	0.2
94.25406	0.2
97.02827	0.8
105.48674	0.2
127.03849	0.5
135.04222	0.2
138.23198	0.2
145.04915	0.3
153.01782	0.6
178.02579	0.4
220.90524	0.2
242.05841	2.0
258.05237	1.8
269.04453	0.4
270.05249	8.2
273.03976	1.1
286.04858	1.3
287.05496	3.1
299.05542	0.7
301.03427	1.5
302.04184	2.4
313.03568	1.1
315.04993	33.3
316.05756	4.2
317.06104	0.3
319.08847	0.3
331.08130	100.0
332.08517	1.9
456.85754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1345
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
70.89120	0.2
70.89443	0.1
71.61638	0.1
74.03996	0.1
75.39776	0.1
83.13428	0.1
86.09530	0.1
108.02036	0.1
127.96582	0.1
136.01575	0.2
137.02303	0.2
153.01796	0.4
154.02599	0.2
158.95918	0.1
178.02640	0.5
207.74371	0.1
214.06139	0.1
229.04881	0.1
241.04956	0.2
242.05736	2.1
253.04866	0.1
255.02849	0.2
258.05249	2.1
269.04492	0.3
270.05243	9.1
271.05753	0.3
273.03943	1.2
285.03748	0.3
286.04721	1.5
287.05484	3.7
298.04666	0.3
299.05496	0.7
301.03406	1.7
302.04202	2.1
313.03397	1.1
315.04980	35.3
316.05704	4.7
316.09549	0.1
331.08112	100.0
332.08511	1.4
409.08685	0.2
493.13229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95145	0.1
70.29368	0.3
70.29762	0.2
79.39931	0.1
81.07063	0.1
82.18657	0.1
87.47032	0.1
153.01794	0.7
154.02605	0.1
178.02574	0.4
179.07094	0.2
196.99007	0.1
203.03430	0.3
213.05634	0.2
241.04919	0.3
242.05731	2.3
258.05228	2.0
269.04449	0.3
270.05225	9.0
271.05792	0.2
273.03973	1.3
285.04135	0.2
286.04709	1.7
287.05478	3.8
298.04694	0.3
299.05493	0.8
301.03439	1.6
302.04196	2.5
302.07458	0.2
313.03421	1.1
315.04993	34.7
316.05743	4.4
331.08124	100.0
332.08475	1.8
476.24280	0.2
493.17203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.5
55.79980	0.4
56.96572	0.6
56.98102	0.4
57.03432	0.6
65.03921	0.6
69.03429	2.1
69.07059	0.7
70.06593	3.4
71.59207	0.7
72.08165	1.1
76.04486	0.5
79.05499	0.6
81.03435	1.2
81.07047	0.6
83.04974	0.7
84.04503	1.0
84.08147	1.0
85.02919	2.4
86.09703	1.4
87.04485	0.5
91.05523	0.6
93.07047	0.5
97.02872	1.2
98.06036	0.4
98.21122	0.7
98.97597	1.0
101.80110	0.5
105.07056	0.5
107.04986	0.5
109.02930	0.7
110.07188	1.1
111.04432	0.7
116.07108	0.9
120.08117	2.5
121.02880	4.2
124.04057	0.5
127.03966	0.6
129.10289	0.7
137.06010	1.1
139.03964	0.6
146.83699	0.5
153.05505	1.2
163.03882	0.7
165.00200	0.6
177.05403	0.6
179.01654	1.2
181.04965	2.6
192.14688	0.8
201.05345	0.6
203.07010	0.7
205.04735	52.1
206.05037	1.1
209.15402	1.1
210.15714	1.5
211.00662	2.3
211.04166	0.7
219.01753	0.6
227.10309	0.7
243.03299	0.6
249.07294	0.9
266.07590	5.3
267.08279	1.1
270.05243	1.3
287.05670	0.5
300.05438	1.3
315.05066	5.2
316.05838	0.6
331.08157	14.7
331.11905	0.6
332.08194	1.5
445.15128	0.7
463.15610	0.6
493.16864	100.0
494.17023	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	493.2803
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03943	8.6
55.01878	13.4
55.05516	35.2
57.03437	13.8
59.04994	3.8
65.03926	3.0
65.34785	1.4
65.37077	1.3
67.05508	40.1
69.03452	6.8
69.07076	11.5
71.05011	9.4
73.02911	1.9
73.19487	1.2
77.03906	1.5
79.05499	48.9
79.05957	3.0
81.03425	72.8
81.07063	49.7
81.07426	1.0
83.01337	8.2
83.04539	2.0
83.04990	28.1
83.08625	29.8
85.02919	30.9
85.06560	3.2
91.05487	52.3
93.07051	50.4
95.04980	35.2
95.05603	1.6
95.08615	25.5
97.02897	6.8
97.06534	12.0
97.10170	6.6
99.04475	3.5
99.08093	1.7
101.13903	1.4
105.07038	36.8
107.04969	17.6
107.08603	25.0
107.09283	2.3
109.06536	12.8
109.10151	6.5
111.04474	9.7
111.08098	13.2
113.06011	3.1
115.05486	2.9
117.07039	12.9
119.04903	1.5
119.08599	28.5
121.06544	7.0
121.10154	18.5
123.04475	1.8
123.08082	12.4
123.11709	2.5
125.06021	2.8
125.09619	6.9
127.04013	2.3
128.06235	2.6
129.07010	12.3
130.07785	1.9
131.04936	2.6
131.08566	14.1
133.06483	4.3
133.10144	11.1
135.04361	1.3
135.08049	3.8
135.11697	15.2
137.09634	4.5
141.96478	1.3
143.08563	3.0
145.06543	2.3
145.10126	19.2
147.04430	2.4
147.08058	6.0
147.11685	13.7
149.09605	7.2
151.11316	1.7
153.12767	5.7
155.08592	2.3
157.10129	12.2
159.11710	1.6
161.13271	1.2
163.11194	31.1
165.12802	3.2
167.07036	1.8
173.09689	4.1
175.11169	16.3
181.12230	6.4
184.73602	1.2
189.12781	1.6
191.10701	4.7
193.12259	66.3
205.12393	1.8
209.11702	11.1
211.13309	54.9
227.12811	6.8
229.46008	1.6
231.13765	2.2
249.14786	2.2
264.78781	1.5
267.16000	5.7
279.03992	1.8
283.15515	5.1
314.07855	4.7
315.05032	5.4
315.08304	2.5
331.08115	18.1
340.06216	1.5
365.21121	1.6
377.59256	1.3
383.22266	5.9
401.23154	6.2
427.54953	1.3
457.25790	2.3
475.10403	2.2
475.27023	5.7
493.27985	100.0
494.28076	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2813
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03954	0.3
55.05514	4.0
57.05828	0.5
63.34182	0.2
66.67558	0.3
67.94843	0.3
71.29913	0.6
72.08158	46.0
74.55314	0.3
79.05493	0.4
91.05481	0.6
93.07034	0.8
103.05451	2.2
109.18140	0.3
117.07037	0.5
120.08110	100.0
120.91333	0.3
121.08463	0.6
124.11088	0.3
126.12820	0.5
133.10104	0.3
146.62973	0.3
161.06522	0.3
171.14935	6.6
174.12793	2.5
186.37042	0.3
199.14424	6.4
219.14940	15.8
222.12764	0.9
247.14438	20.4
248.14647	0.4
267.14948	8.2
273.19604	1.1
295.14435	12.8
301.19092	3.1
321.19528	0.8
331.07965	0.5
346.21280	5.2
349.19153	2.0
394.21329	4.1
422.20688	0.4
448.25577	0.8
465.27661	0.4
493.27844	0.7
517.51599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3292
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
54.34106	0.3
55.05508	0.4
57.07061	0.5
61.33525	0.3
67.05504	1.1
69.07053	0.5
69.51926	1.5
69.52341	0.4
75.47229	0.3
76.61565	0.3
79.05494	0.5
81.07058	0.8
83.08643	0.5
88.02232	0.7
89.06069	0.3
93.07028	0.7
95.08607	0.9
105.07027	0.4
107.08608	0.4
109.10152	1.1
119.08606	0.4
121.10134	0.4
126.37445	0.3
137.13254	0.3
149.73247	0.3
153.65776	0.3
155.08672	0.3
230.35789	0.3
313.61163	0.3
331.08133	0.3
347.23596	0.3
362.25824	1.0
407.09595	0.3
429.16110	0.3
463.28293	2.8
478.30862	0.3
493.32901	100.0
494.33215	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
58.61300	0.3
65.31969	0.3
67.05511	0.9
71.61281	0.6
79.05487	0.4
81.07058	1.3
82.82392	0.3
84.02984	0.3
91.05442	0.4
91.68290	0.3
93.07056	0.7
95.08595	0.7
97.26142	0.4
105.07034	0.4
107.08588	0.6
109.10187	0.8
119.08623	0.5
129.39761	0.4
133.10129	0.4
137.89807	0.3
150.58043	0.4
170.55309	0.4
184.54010	0.4
208.07915	0.3
333.87668	0.4
347.23480	0.8
362.26013	0.6
449.34018	2.4
463.28268	1.6
493.32870	100.0
494.33154	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	493.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.05518	31.4
57.07080	43.7
67.05508	25.3
69.07071	65.5
69.54844	24.2
71.08637	34.3
77.86498	3.3
79.05112	3.2
79.05507	32.8
81.07066	64.5
83.04981	7.6
83.08627	61.5
85.10193	20.5
91.05470	12.8
93.07052	100.0
95.08604	57.6
97.10172	33.6
99.08129	3.7
105.06990	7.2
107.08599	58.5
109.06522	10.6
109.10162	35.1
111.08066	10.4
111.11746	17.0
111.62222	3.9
115.07557	7.6
119.08598	6.0
121.06509	10.8
121.10162	32.8
123.11720	14.8
125.06023	6.4
125.09666	8.2
125.13280	6.0
127.07571	19.2
129.09125	3.9
133.10135	7.2
135.08095	4.8
135.11707	40.1
137.13216	9.6
139.07570	3.8
139.14847	3.4
141.09114	6.4
143.07060	18.1
147.11649	4.7
149.13266	46.9
151.14844	5.6
153.09065	8.4
153.12817	4.8
153.16438	3.3
159.11650	5.6
161.13206	4.2
163.11157	5.2
163.14832	38.5
167.10699	3.6
173.13153	4.0
175.14742	4.7
177.12770	4.5
177.16364	9.4
179.17972	8.2
189.16374	4.5
191.14366	6.3
195.13930	3.8
205.15971	3.9
205.19580	6.4
219.21124	4.1
233.22545	8.6
261.22189	5.2
289.28912	70.1
299.27417	13.2
307.29947	56.8
317.28372	46.4
349.31000	30.6
367.32117	6.7
410.32431	3.7
493.35080	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01862	3.2
55.05497	5.7
56.96539	3.1
57.03438	6.0
61.02921	3.6
65.03953	2.3
67.05502	7.2
69.03432	8.2
69.07065	4.2
69.34812	7.6
69.35236	11.0
78.09155	1.9
79.05495	8.9
81.03428	12.9
81.07049	9.1
82.03761	2.5
82.07372	3.0
85.02923	18.7
87.00827	7.5
91.05483	100.0
91.97079	1.9
92.05839	3.8
93.07066	7.2
94.07423	2.5
95.04974	2.9
95.08599	4.2
97.02894	15.9
97.06491	3.5
98.97629	2.1
99.04466	4.3
105.01853	6.5
105.03403	19.1
105.07052	5.6
107.04964	15.4
107.08602	4.6
109.02876	8.8
109.10174	5.2
111.04475	2.0
119.04935	2.5
119.08592	3.6
121.06480	3.3
121.10156	5.2
123.04419	5.0
127.03918	15.5
131.08597	4.5
133.10060	2.5
137.05939	3.0
137.09634	2.0
144.04427	2.3
145.04945	7.8
145.06367	1.9
145.10220	3.1
149.13509	2.0
152.05617	3.1
159.02888	2.9
165.09114	7.5
177.05481	4.6
179.07022	29.9
180.10172	2.2
183.08301	1.8
189.08929	2.7
195.06499	3.1
195.83337	2.3
219.01773	2.3
223.09657	2.7
287.14084	2.6
316.05167	2.7
321.43854	2.5
331.08087	3.4
332.08499	8.7
384.22568	4.1
452.63428	2.1
476.18033	2.6
476.30768	7.8
494.17184	3.5
494.28137	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
56.96560	0.9
57.03442	1.2
58.06601	1.9
62.66467	0.8
69.03436	2.2
70.06582	1.1
71.59000	1.7
73.02940	1.3
74.09721	1.4
81.03400	1.1
83.04947	0.9
85.02923	5.1
91.05464	5.8
93.07034	7.3
97.02909	2.0
98.97581	3.2
99.04433	1.5
103.05450	4.5
105.07018	2.1
106.04201	1.5
107.04946	1.9
107.58855	0.8
109.02905	1.1
109.33524	0.9
116.80486	1.1
116.98617	0.8
118.08638	3.3
119.01984	1.5
119.04993	1.4
121.06510	14.7
122.02721	1.0
123.04423	3.1
124.05263	1.1
127.03913	1.5
128.82448	1.1
133.06471	3.4
135.04424	2.2
137.05974	5.4
143.01970	1.4
145.02823	1.5
147.03329	1.0
147.04425	3.2
149.05988	29.3
152.04729	1.1
158.06677	1.3
158.99712	1.2
161.02925	1.1
161.05965	4.3
163.03906	9.9
166.06250	5.4
167.07048	84.9
173.02962	1.7
176.07672	2.7
177.05453	3.3
180.07797	1.1
181.07042	2.0
181.08611	37.2
185.02966	2.2
188.07637	1.7
189.00560	1.1
193.08595	2.4
194.06554	1.3
200.07623	1.2
203.04057	1.1
211.09663	100.0
212.07646	10.4
212.09792	2.3
219.01624	1.1
230.08795	2.0
234.66586	1.2
236.07486	1.0
245.05011	2.3
249.43533	1.0
276.10934	0.9
276.16312	1.1
281.07272	1.1
284.08008	1.8
298.28720	1.0
320.09808	1.9
338.10724	2.3
424.56622	1.1
426.89502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56960	0.7
55.01872	0.8
56.96554	1.5
57.94130	0.8
68.47533	0.8
69.03422	1.9
70.06593	1.1
71.60129	1.1
72.33614	0.8
79.05504	0.9
81.03408	1.9
85.02894	3.0
86.06089	1.0
89.03907	1.3
91.05493	4.0
93.07058	5.8
95.04938	1.1
97.02904	1.9
98.97563	3.3
103.05470	5.0
105.07038	2.0
117.03413	1.2
119.04890	1.8
121.06513	10.2
123.04468	1.4
127.03890	1.4
133.06477	2.1
135.04353	1.6
137.05988	21.2
145.02876	1.1
147.04378	3.0
149.05988	21.9
152.04761	1.1
160.07567	2.7
161.05911	4.2
163.03929	9.0
166.06267	3.6
167.07050	70.3
170.01656	0.8
177.05476	2.0
179.07076	1.9
180.07858	1.6
181.08614	31.8
193.08540	1.6
195.10188	1.1
195.77364	1.0
200.62378	0.9
201.00720	1.0
211.09671	100.0
212.10013	1.3
219.01750	1.8
237.02847	1.2
284.07928	0.9
369.93066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31040	1.6
66.30562	1.8
69.03442	8.6
69.77721	10.1
81.03412	5.4
81.07054	1.9
84.08146	3.9
85.02906	10.4
87.00842	3.1
89.03938	2.3
91.05482	3.2
97.02884	5.2
97.50839	1.9
98.97574	2.3
105.01830	4.2
105.07057	2.1
107.04980	2.2
109.02885	4.4
109.06523	2.5
109.64853	1.7
117.03378	2.0
120.56520	1.7
121.06548	2.2
127.03897	5.8
135.04399	2.4
137.05984	98.9
137.07037	4.7
138.06317	2.4
145.05029	2.3
147.03392	2.0
147.04362	9.6
151.07558	4.4
153.05472	3.4
159.02991	1.8
163.03914	8.2
167.07047	2.6
177.05443	3.7
179.07002	10.2
193.08636	2.1
206.05081	2.1
211.09665	100.0
250.83257	2.0
422.46069	2.1
485.18719	2.5
494.16785	8.8
499.08606	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.46687	0.8
55.05509	3.4
56.05035	1.4
58.06595	1.4
60.08168	18.1
67.05499	2.0
69.07085	2.1
70.06600	1.0
71.07383	7.7
71.61431	1.4
79.05480	1.2
81.07058	3.4
82.52953	0.7
83.08625	1.0
86.09713	52.8
93.07047	2.2
95.04964	1.1
95.08624	1.8
98.17197	0.8
98.98456	4.5
104.10751	100.0
125.00011	28.6
135.11731	1.6
136.06219	1.1
149.02399	1.7
184.07356	98.6
193.05063	2.0
195.87843	0.8
237.07707	1.3
258.11209	1.1
311.25873	2.3
368.66080	0.8
408.92349	0.8
476.31302	7.5
494.32587	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	494.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
55.20778	0.4
57.03436	0.6
57.07085	0.6
57.70496	0.4
58.06615	0.6
60.07909	0.6
60.08168	6.2
64.49701	0.4
67.05493	1.2
69.07077	1.0
70.06582	0.9
71.07384	3.2
71.61356	0.7
79.05480	0.9
81.07056	1.3
83.08646	0.5
85.02900	0.4
86.09711	30.4
88.07633	0.5
91.05492	0.5
93.07034	1.0
95.08619	0.8
98.98466	2.8
104.10757	3.0
109.10157	0.6
112.85469	0.5
121.10131	0.6
125.00014	21.0
131.08588	0.6
136.06219	0.6
149.02347	1.5
150.82300	0.4
172.06464	0.5
172.95111	0.6
184.07355	100.0
193.04958	1.3
237.07648	1.7
249.62663	0.4
284.29456	1.3
292.63477	0.4
476.31354	1.0
494.34418	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	495.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
65.03928	4.1
67.05487	1.6
69.03445	6.3
70.06580	4.7
72.08167	2.6
78.64813	1.4
79.05485	1.5
81.03415	3.5
82.04205	1.6
84.04519	1.3
84.08157	2.5
85.02888	6.8
86.09709	1.4
89.03912	1.4
91.05486	2.3
95.04969	2.4
97.02875	3.2
97.06506	2.4
97.82236	1.2
98.97587	2.4
107.08555	1.3
109.02884	3.0
110.07124	1.3
111.04436	1.3
117.03423	2.2
119.04975	1.4
123.04456	2.6
124.03897	1.3
124.11679	1.3
130.80640	1.4
137.05952	2.4
139.03871	2.5
140.04663	4.0
142.02618	2.6
145.02866	3.5
145.04996	1.3
147.04413	1.5
153.05482	1.9
155.06987	4.0
158.99734	1.2
171.06476	2.0
177.05438	5.1
178.05820	1.3
179.24229	1.2
181.04959	100.0
182.05327	2.3
192.14638	1.8
199.06038	3.9
209.15300	2.9
210.15755	3.0
211.00529	2.9
229.11818	2.4
271.96463	1.4
312.44583	1.4
325.09225	2.6
333.08292	1.5
343.10205	4.8
464.62097	1.3
472.00189	1.3
495.21066	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01311	0.4
55.05512	1.1
57.03439	0.5
61.02909	0.4
67.05508	0.8
69.03432	1.7
69.07056	0.8
70.06593	0.8
70.18596	0.4
70.71091	0.5
70.71448	1.0
71.04990	0.4
72.08148	0.4
79.05495	1.5
81.03404	1.2
81.07060	1.4
82.06591	0.6
83.04976	1.0
83.08604	0.4
84.05330	0.4
84.08125	0.5
85.02913	1.8
85.06535	0.5
87.04469	0.8
91.05488	1.5
93.07046	1.0
95.04988	0.8
95.08616	1.1
97.02892	0.8
97.06530	0.7
98.97559	0.8
99.04492	0.4
105.07026	1.0
107.04960	1.0
107.08602	1.1
109.02855	0.8
109.06534	0.7
109.10169	0.8
109.20483	0.4
111.04457	0.4
113.05806	1.1
119.04912	0.6
119.08582	0.5
120.08099	0.6
121.02894	0.5
121.06561	0.6
121.10140	0.5
121.63926	0.3
123.04448	0.5
125.09671	0.4
127.03949	1.0
128.07106	1.6
131.08636	0.6
133.06491	0.5
133.10143	0.7
137.05952	0.6
145.04987	0.5
145.10153	0.6
147.04446	1.0
148.07568	1.0
149.09651	0.5
151.11201	0.4
153.01799	1.8
166.00883	1.4
175.03893	0.8
177.05469	0.5
181.05205	0.5
203.55724	0.4
207.06639	1.3
221.02702	0.4
257.10037	0.7
261.07352	2.6
270.05267	1.4
271.05673	0.9
272.05685	1.8
275.11002	1.8
285.03946	0.6
287.05557	0.8
288.05859	0.7
289.06165	0.7
300.01001	0.4
302.03885	0.6
304.04773	0.4
307.08969	0.4
315.04980	2.7
315.11829	0.4
316.05453	3.2
317.01520	0.6
317.05637	6.2
318.02026	1.0
318.06247	1.0
328.00238	0.5
331.08136	9.6
332.08447	9.3
333.04355	7.9
333.08743	21.1
333.13095	2.3
338.19614	1.2
343.03015	0.6
388.75864	0.4
392.24274	0.9
423.12683	0.5
495.18420	100.0
496.18823	2.1
504.05045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3323
Annotation	Makisterone B
Peak:m/z	Relative Intensity
50.25596	0.7
53.00311	0.9
55.01859	1.5
55.05295	0.7
55.05516	9.1
57.03431	0.8
57.07061	2.2
67.05509	9.8
69.03429	2.1
69.07076	9.0
69.08109	0.6
69.36294	0.7
71.05019	3.5
71.08620	0.9
71.30602	0.9
79.05497	7.1
81.03410	2.1
81.06575	1.0
81.07063	19.5
82.07406	0.7
83.01323	2.1
83.04976	1.8
83.08618	4.3
85.02882	1.8
85.06539	2.0
91.05502	6.4
92.89952	0.7
93.07045	9.5
95.01335	1.7
95.04969	2.4
95.08617	18.6
97.02870	0.9
97.06520	2.5
97.10170	2.4
98.97551	1.2
99.00821	7.6
99.04460	3.7
99.08107	1.2
105.07037	4.4
107.04948	1.8
107.08599	8.6
108.45521	0.7
109.02889	1.1
109.06516	3.7
109.10172	9.8
111.08090	1.1
111.11750	0.9
113.02348	1.8
117.01845	0.9
117.07027	1.2
119.04993	0.8
119.08578	2.9
121.06493	1.9
121.10145	5.6
123.07999	1.1
123.11711	6.3
125.06003	1.7
127.03934	1.4
129.07047	1.3
131.08514	1.7
133.06490	2.3
133.10127	2.1
135.04395	1.6
135.08060	1.0
135.11736	3.8
137.05940	2.4
137.13235	2.4
139.07559	1.2
139.11128	1.1
143.08548	1.9
145.06427	1.3
145.10124	3.4
145.73994	0.7
147.04385	0.9
147.08105	0.7
147.11690	1.4
148.70432	0.7
149.02382	0.8
149.05986	3.0
149.09612	1.3
149.13237	3.9
151.03914	0.8
151.07533	1.8
153.05444	3.8
153.12688	0.8
155.07060	0.9
157.10092	1.2
159.07977	0.8
161.05904	1.9
161.09613	1.9
163.03894	3.6
163.07539	2.2
163.11191	1.3
163.14842	1.0
165.09129	1.6
167.06998	1.7
171.08047	2.3
175.07536	3.9
175.11116	0.8
175.18065	0.7
177.05493	10.7
177.09116	1.6
181.04962	13.5
183.06572	5.3
187.07568	0.8
189.09119	23.2
189.12683	0.8
191.07069	1.8
191.10672	1.6
195.06535	26.7
201.08981	0.8
201.12833	0.7
203.10660	3.1
205.08638	1.6
205.12335	1.0
207.06508	3.8
209.08107	10.9
213.12752	0.8
217.08542	2.1
217.12187	0.8
219.10033	0.9
219.13881	1.0
221.08063	1.2
223.09665	19.3
231.10274	1.0
235.09663	2.9
237.11224	23.1
249.11261	22.0
251.12895	3.9
253.70036	0.7
261.11319	0.9
263.12762	6.2
265.14420	1.7
266.44110	0.8
277.14371	2.1
289.14420	1.2
291.15787	1.7
293.17578	1.6
303.15707	1.3
305.17471	3.1
307.18982	1.4
317.17438	2.3
319.19092	3.0
354.85800	0.7
377.23474	1.4
385.23911	1.0
403.56729	0.7
441.29996	12.6
459.31091	100.0
460.31482	3.2
477.32202	25.4
495.12045	3.8
495.18402	6.0
495.33276	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	495.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05515	12.1
57.03399	2.7
57.07061	7.8
59.28072	1.7
65.03947	2.8
67.05511	12.5
69.07076	21.4
71.08626	3.3
71.59978	1.6
71.60412	3.4
79.05495	9.1
80.46515	1.7
81.07066	15.4
83.04971	4.9
83.08630	10.0
91.05454	2.3
93.03414	2.4
93.07063	4.2
95.08603	11.5
97.06511	4.9
97.10178	8.1
99.04462	4.9
105.07059	3.8
107.04945	8.2
107.08585	6.8
109.02906	2.3
109.06571	2.2
109.10161	10.8
111.04460	14.8
111.11753	2.5
117.07007	1.9
119.08569	3.3
121.06524	2.0
121.10147	4.3
123.11701	3.1
125.02367	5.2
125.05983	10.5
125.13289	2.8
127.03909	6.5
131.08568	2.4
133.10078	2.6
135.04407	15.4
135.11664	3.1
137.05980	2.8
137.09723	2.6
141.05473	4.3
145.10184	2.1
147.11668	2.0
149.09734	2.8
151.03889	1.9
153.05479	100.0
156.96442	2.5
163.03929	17.1
167.07031	9.1
177.09146	2.5
181.04959	27.8
181.08553	4.2
195.06560	6.3
195.10208	5.9
199.06047	45.1
201.07571	9.8
209.11760	2.8
213.07588	80.7
227.09171	7.8
241.10605	3.2
255.12262	7.0
263.12769	2.2
269.13876	7.5
281.13855	3.8
283.15387	4.7
297.16895	2.3
339.21692	8.9
351.21725	4.5
353.23117	4.9
365.23315	2.4
367.24725	2.9
381.26465	2.7
393.26358	2.6
395.28061	2.3
461.98364	2.0
477.35825	30.2
495.24304	3.5
495.35516	45.8
496.34729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82667	9.3
51.82921	9.2
55.05521	22.5
57.07069	35.9
57.28696	9.0
63.06783	9.9
67.05509	37.7
69.07076	28.7
69.52726	69.8
70.77847	10.4
71.08629	16.1
76.01057	8.8
79.05508	16.1
81.07058	43.9
83.08602	21.3
83.24319	10.0
85.10201	16.6
86.68439	9.9
87.42405	11.4
89.06014	22.6
95.08598	19.6
97.10166	15.1
107.08575	9.5
107.56588	11.2
109.06517	18.5
109.10159	17.1
125.05997	17.9
127.07577	27.1
135.08043	10.7
139.07536	100.0
177.09142	11.5
179.94069	11.7
228.75829	9.3
240.55417	10.1
279.79245	11.1
394.96048	10.6
438.25275	11.6
445.36923	44.3
467.63809	10.4
477.39536	71.1
495.32635	37.6
495.39606	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	496.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46267	0.5
55.01869	0.8
56.31353	0.7
56.36771	0.5
57.03422	2.0
61.02929	1.0
62.07373	0.5
65.03936	0.7
69.03435	3.8
69.26460	2.6
69.26885	2.7
70.06591	0.7
71.01348	0.6
73.02917	4.4
81.03433	1.4
85.02921	4.9
87.04456	1.1
93.07059	1.0
94.70509	0.6
95.01326	0.9
97.02887	5.2
98.21312	2.4
109.02887	0.7
109.06485	0.6
110.03672	4.4
110.05984	0.9
111.04446	0.8
115.03948	4.2
119.04913	0.8
125.05994	15.8
127.03889	1.6
133.04973	1.7
137.05974	0.8
138.05496	3.8
139.03929	3.0
145.02901	0.8
145.04964	1.4
147.04404	0.9
153.05472	36.8
154.06252	10.9
155.07164	0.7
163.03943	0.6
167.07042	1.3
170.05754	9.4
177.05499	1.3
178.06258	1.2
182.05710	0.8
185.08099	100.0
186.08371	1.1
194.05740	2.1
197.08163	1.8
209.08136	5.0
221.08009	1.1
227.09181	2.9
251.09148	1.8
263.09177	2.5
264.08893	0.7
270.89789	0.6
281.10278	4.5
293.10278	1.0
299.11230	1.2
311.11029	0.7
347.13422	0.7
384.64758	0.6
448.15634	0.9
451.36176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05502	0.5
56.05039	1.1
57.03435	0.4
57.07080	3.1
58.06585	1.2
59.07373	0.4
60.08168	16.9
67.05501	0.7
69.07066	0.7
70.06600	0.2
70.84967	0.5
71.07378	6.4
71.08633	1.9
79.34164	0.1
81.07069	0.9
83.08635	0.6
85.10188	1.2
86.09710	50.5
87.10043	0.2
87.26031	0.1
95.08614	1.2
96.85161	0.2
97.10167	0.4
98.98480	3.7
104.10748	100.0
105.11094	0.5
109.10172	0.4
119.77438	0.2
123.11637	0.2
125.00010	27.6
163.01530	0.6
166.06377	0.2
181.02692	0.3
184.07349	95.4
185.07657	0.5
258.11093	1.2
292.70160	0.2
313.27390	1.5
338.99786	0.2
419.25650	0.6
478.32950	8.2
496.34021	26.7
497.34232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1441
Annotation	CHEBI:67641
Peak:m/z	Relative Intensity
53.03945	0.3
55.01862	0.3
55.05495	0.5
56.96551	0.3
57.01684	0.2
61.96228	0.2
64.98015	0.2
67.05494	0.8
69.03429	0.5
69.07073	0.4
71.59951	0.4
79.05490	0.6
81.03415	0.7
81.07062	1.4
83.04993	0.3
84.96025	0.3
85.02904	0.8
85.06532	0.2
91.05458	1.0
91.52332	0.2
93.07025	0.9
95.04962	0.3
95.08601	0.9
97.06529	0.3
98.97540	0.2
99.04465	0.2
103.16482	0.2
105.07049	0.7
105.98148	0.2
107.04938	0.3
107.08583	0.9
109.02867	0.6
109.06572	0.3
109.10147	0.4
110.17316	0.2
111.04443	0.6
117.03381	0.2
117.07015	0.3
119.08547	0.3
121.06472	0.5
121.10111	0.5
123.07993	0.3
127.03892	0.4
131.08531	0.3
132.04416	0.2
133.10162	0.3
135.11563	0.2
137.02319	0.3
145.02885	0.6
147.04385	0.7
149.13281	0.2
151.11102	0.2
153.01846	0.8
154.02605	0.3
159.11697	0.3
165.05525	0.3
167.07024	0.3
177.05495	0.5
178.02612	0.4
179.07005	0.3
214.06293	0.4
225.09848	0.2
229.04956	0.3
241.04971	0.4
242.05688	3.2
245.04536	0.3
255.02893	0.4
258.05206	4.0
266.21048	0.3
269.04410	0.4
270.05240	10.4
271.05737	0.3
273.04001	1.7
285.03799	0.5
286.04608	1.3
287.05475	5.2
298.04752	0.5
299.05490	0.6
301.03452	2.9
302.04242	4.0
313.03381	2.1
315.04987	49.0
316.05731	5.2
331.08118	100.0
332.08398	2.3
357.65344	0.3
373.77585	0.2
419.13821	0.3
497.14291	2.5
497.23267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05501	0.8
56.96558	0.5
60.82101	0.3
60.82456	0.5
61.74627	0.4
67.05492	1.4
69.03434	0.8
69.07063	1.1
69.72316	0.4
70.06589	0.5
71.05014	0.5
75.75225	0.4
79.05503	1.0
81.03400	0.9
81.07071	2.5
83.76013	0.4
85.02886	0.9
85.06528	0.5
91.05479	2.2
93.07049	1.8
95.04975	0.9
95.08591	1.6
97.02892	0.8
97.06530	0.5
98.97577	0.5
100.11253	0.5
103.05529	0.4
105.07040	1.2
107.04934	0.8
107.08597	1.4
109.02875	1.1
109.06477	0.5
109.10141	1.3
111.04470	0.5
111.08099	0.5
119.04945	0.6
119.08577	1.3
121.06494	1.4
121.10114	1.1
123.08114	0.5
127.03886	0.5
131.08649	0.7
133.10165	1.1
135.08070	0.5
135.11690	0.9
137.02443	0.5
137.05963	0.6
145.10126	0.5
146.05963	0.5
147.04398	1.1
147.11687	0.7
149.09570	0.5
149.13307	0.4
153.01865	1.3
163.11183	0.6
165.08968	0.5
170.00157	0.4
207.06400	0.5
241.05138	0.5
242.05742	3.1
246.56599	0.4
258.05258	3.4
269.04434	0.7
270.05237	11.7
273.03946	2.5
285.03571	0.5
286.04724	1.7
287.05499	6.1
299.05548	1.2
301.03497	2.7
302.04254	4.5
313.03397	1.6
315.05005	49.9
316.05701	5.5
331.08136	100.0
332.08429	1.9
457.37558	0.5
497.14413	10.4
497.21753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14701	0.7
55.05508	0.8
59.21714	0.6
62.28727	0.7
65.03919	0.7
67.05465	0.8
67.63429	0.7
69.03403	0.9
69.07047	1.0
70.06590	2.1
71.04999	0.9
71.60167	0.9
71.62555	0.7
81.03426	0.9
81.07039	0.9
84.08140	1.2
85.02918	1.8
85.21874	0.8
91.05481	5.6
91.15020	0.7
93.07032	0.8
98.97566	1.8
109.02899	1.1
110.07176	1.5
111.04468	4.1
118.08688	2.0
119.04954	10.0
130.06532	2.8
131.00148	0.8
133.06490	0.8
145.07619	1.1
146.06030	7.6
147.04413	28.7
158.06068	3.8
160.07622	1.4
167.07095	0.9
167.35254	0.8
172.07565	0.8
173.07198	1.7
174.07936	1.0
175.03946	2.6
189.10271	4.1
207.06569	3.2
244.63893	0.8
270.08081	1.5
275.08102	0.8
287.11877	0.9
299.05518	1.0
299.11972	2.2
302.10464	1.1
305.12872	3.0
317.12842	6.5
323.05255	0.8
334.15512	9.8
345.34445	0.8
360.13516	1.1
480.19287	8.5
497.16345	100.0
498.16144	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	497.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.7
65.03939	0.8
65.94948	0.5
66.92383	0.7
67.05515	0.8
69.03429	1.0
70.06581	1.9
71.61042	0.9
76.40868	0.5
79.05489	1.1
80.79076	0.5
81.03432	1.5
81.07056	0.7
81.41183	0.6
84.08130	0.7
85.02901	1.6
86.09691	1.2
91.05482	6.5
93.07040	0.6
95.08609	0.7
96.23493	0.6
98.97570	0.9
99.04436	0.6
105.07003	1.5
109.02843	0.6
110.07159	1.1
111.04457	6.9
116.39069	0.6
116.98600	0.9
118.08671	2.2
119.04954	11.2
119.08570	0.7
120.04515	0.7
120.08077	0.7
127.03912	1.1
130.06525	2.5
131.00177	0.8
132.08127	0.6
137.06021	0.9
137.77216	0.6
145.07639	1.0
146.06001	7.2
147.04417	27.4
147.08076	0.7
154.55084	0.6
158.06053	3.3
158.99663	0.8
160.07629	1.1
161.65523	0.6
163.03929	1.1
167.07091	1.1
172.07619	0.7
173.07138	1.0
174.07925	2.2
175.03935	3.7
179.06941	0.6
189.10199	3.3
207.06534	4.6
270.07883	1.0
275.08145	1.2
280.02298	0.9
287.11899	1.4
288.08917	0.9
299.05408	2.1
299.11786	2.0
300.05936	0.9
305.12909	2.6
313.06073	1.0
317.12869	6.4
329.06818	0.9
330.06778	1.0
334.15512	8.7
391.10040	0.8
480.19208	9.3
497.16333	100.0
498.16544	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	497.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65363	1.3
54.73971	1.4
55.01883	1.8
57.03436	1.5
58.82536	1.2
58.91185	1.2
61.02922	2.1
65.03944	2.9
65.52551	1.1
67.05498	1.3
68.15312	1.2
69.03446	6.3
69.83630	1.3
70.06602	2.9
71.05005	1.5
71.60884	1.6
73.02918	2.0
81.03429	3.7
84.08152	2.2
85.02917	11.9
86.09740	1.9
89.81388	1.2
91.05499	18.6
95.04967	1.7
95.08602	1.5
97.02898	4.9
98.97583	2.9
118.06538	2.7
118.08703	2.1
119.04952	39.6
127.03916	2.3
130.06569	8.0
132.04433	1.4
145.02879	1.6
145.04982	2.9
145.07637	4.6
146.06018	34.7
147.04420	95.9
147.08017	2.3
148.04799	1.3
158.06012	15.0
160.07611	8.1
162.09180	2.3
163.03828	1.4
172.07610	4.0
173.07059	7.5
174.07881	12.3
177.05446	2.6
189.10228	17.5
207.06480	1.4
215.08307	1.4
222.09267	1.6
233.08441	2.7
244.07568	6.1
246.09175	35.7
261.07880	1.7
261.10385	1.4
262.08633	2.7
264.07098	1.3
264.09927	2.9
265.07349	4.6
270.07953	4.5
271.08847	1.7
272.06845	2.5
272.09494	4.0
273.10193	3.5
274.08676	22.1
275.08328	6.5
278.08209	12.3
284.09265	2.6
287.11798	10.3
288.08926	5.4
289.09705	4.8
289.13098	1.9
290.07965	7.6
291.11282	5.0
292.06616	2.3
292.09689	18.7
295.06131	1.3
299.11728	12.1
302.10550	2.0
305.12848	21.3
306.07632	2.9
307.10864	1.7
317.09213	7.9
317.12906	23.7
322.15372	2.0
334.15518	51.5
335.10284	100.0
336.10699	2.7
351.18155	1.6
463.16550	10.3
468.19275	1.8
480.19229	43.9
497.16006	21.6
497.21997	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	497.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84502	0.9
61.02944	0.8
64.89285	0.9
65.03947	2.2
69.03432	1.4
69.27999	3.0
69.28426	5.6
70.06584	1.3
84.08140	1.1
85.02900	1.7
91.05484	15.0
103.05516	1.5
110.07175	1.2
111.04462	1.9
118.08616	0.9
119.04954	36.0
130.06535	7.1
132.04425	0.9
132.08122	1.0
142.30989	0.8
145.07611	3.5
146.06023	28.7
147.04417	100.0
147.08031	2.7
148.04742	1.1
158.06023	12.5
160.07596	3.4
162.09164	2.5
167.07066	1.2
172.07579	3.8
173.07103	5.1
174.07896	7.3
188.07140	1.6
189.10229	13.1
196.07700	1.0
198.05482	1.7
207.06528	2.1
234.73337	1.0
270.07773	5.1
272.09695	1.0
273.10278	1.7
275.08203	3.3
284.09412	1.5
287.11829	5.4
288.08966	3.8
289.13446	0.9
291.11270	4.0
293.12924	0.9
299.11713	9.1
301.09692	1.4
305.12775	9.5
317.12915	23.2
323.05545	1.2
334.15527	39.2
337.06952	1.0
360.13525	2.4
361.07516	1.3
386.14685	2.1
391.10193	1.6
407.07803	1.4
413.08740	1.1
449.08926	0.9
451.43628	1.0
463.16495	2.0
468.19183	1.9
479.09457	1.8
480.19202	34.6
497.16061	34.3
497.22040	16.3
498.16757	1.7
498.23422	1.0
511.43140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3604
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
53.26384	0.4
56.94119	0.4
67.05493	0.6
69.07080	0.5
71.29712	0.9
75.67926	0.4
79.05502	0.4
81.07059	0.8
88.78912	0.4
89.06013	2.2
95.08620	0.7
106.15556	0.3
109.10159	0.8
121.10207	0.4
133.08647	1.2
134.08847	0.4
142.97847	0.4
155.48630	0.4
165.08870	0.9
176.28517	0.4
194.88327	0.4
265.57782	0.4
281.16049	0.4
283.17621	0.6
284.17889	0.4
343.22162	0.4
355.25977	0.6
497.36087	100.0
498.36423	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	498.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98428	20.4
55.01867	23.2
55.05506	56.7
57.03442	24.2
61.02924	23.2
61.03681	15.3
61.99374	13.6
67.05517	100.0
69.03442	33.9
69.07077	38.0
70.06575	26.0
71.04980	15.5
71.60417	19.6
79.05499	76.0
81.03403	58.7
81.07071	71.3
83.04970	45.3
83.08605	31.8
84.08147	26.5
85.02908	54.6
85.06555	20.4
86.09716	27.3
89.03924	17.9
91.05488	60.1
93.07043	44.9
95.04968	28.4
95.08610	51.2
97.02880	44.3
97.06560	32.5
99.04475	23.7
103.05453	18.3
105.07020	46.6
107.04958	51.2
107.08588	51.3
109.02899	25.0
109.06512	16.7
109.10154	66.0
117.06990	33.6
119.04915	31.5
119.08602	26.8
120.08121	16.8
121.10146	28.7
123.08100	16.7
124.07565	14.1
127.03925	21.7
131.08545	23.1
135.11711	48.6
137.05962	18.7
145.02849	19.8
145.10120	40.2
146.05919	20.6
147.04401	42.6
150.31403	16.5
153.12772	44.4
163.03893	64.2
163.11154	73.1
167.07011	16.8
173.11774	32.3
175.03882	38.1
177.05417	18.6
207.06473	33.7
208.06833	27.8
209.11768	17.9
227.12804	17.3
229.14423	54.3
233.78004	16.1
237.02769	15.6
287.11609	29.8
288.11438	38.5
292.04224	15.6
331.08124	34.0
332.08316	46.6
336.09723	20.4
455.19919	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	498.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21231	0.9
53.03942	1.8
55.01869	1.1
55.05516	7.2
55.07377	0.9
56.96574	2.0
57.03442	8.3
57.07066	1.1
59.05000	2.3
61.02920	2.6
62.39128	1.1
65.03943	1.4
66.60121	1.3
67.05156	2.4
67.05508	34.0
69.03429	3.3
69.07072	6.2
70.06585	1.7
71.05002	9.6
71.60996	1.0
73.02936	1.3
79.05507	10.7
81.03426	3.4
81.07063	52.9
83.04980	3.0
83.08648	6.9
85.02895	6.4
85.06559	4.9
89.16934	1.0
89.58507	1.0
91.05489	15.6
93.07054	22.4
95.04970	3.8
95.08609	8.1
97.02895	3.2
97.06544	4.9
98.97609	2.0
99.04488	1.5
99.08091	2.0
103.05489	1.3
105.07016	6.6
107.04980	2.0
107.08592	9.1
109.02903	2.4
109.06516	2.2
109.10168	6.2
111.04479	1.3
111.08100	2.6
117.07013	5.3
119.04975	1.7
119.08612	1.4
121.06526	1.6
121.10178	4.0
123.11732	8.2
127.03935	2.8
131.08597	6.6
133.10150	13.4
135.08011	1.6
135.11717	4.6
137.06024	1.1
144.78442	1.2
145.02820	2.0
147.04445	3.6
147.11769	1.2
148.04816	1.0
149.06073	1.0
149.13251	12.5
151.11215	5.4
159.11713	25.4
161.13248	2.4
163.03958	1.6
167.07085	2.4
168.25354	1.0
169.12262	2.4
171.11819	1.2
177.05521	2.7
177.12769	32.7
179.14297	6.0
187.13339	5.6
195.13849	5.6
201.14865	1.7
233.15340	1.9
236.87224	1.1
243.15950	31.8
244.07706	1.1
251.16501	9.4
257.17471	1.5
269.17499	100.0
270.17737	1.6
288.11606	1.6
301.20132	14.2
313.11801	1.8
373.13998	1.5
445.24503	7.1
463.25919	1.4
498.20538	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	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05507	7.5
57.03435	6.3
57.07080	2.0
57.10559	1.4
61.02925	2.8
65.03958	1.6
65.56422	1.2
65.66949	1.3
67.05510	30.7
68.44403	1.3
69.03426	3.7
69.07068	6.6
70.06591	2.8
70.56968	3.9
71.04995	5.9
79.05489	10.2
81.03428	4.3
81.07060	56.6
83.04993	3.0
83.08630	5.0
85.02930	7.1
85.03368	1.5
85.06547	6.6
85.92917	1.3
91.05481	12.1
93.07052	20.5
95.04974	3.4
95.08605	11.0
97.02868	3.3
97.06559	6.4
99.04453	2.6
99.08087	3.7
103.03955	1.6
105.07036	5.6
107.04978	2.0
107.08597	9.4
109.02909	2.8
109.06551	1.7
109.10170	6.2
111.08033	2.4
116.98631	1.9
117.03373	1.6
117.07028	4.8
119.04985	1.8
119.08590	2.0
121.10169	4.0
123.04420	1.6
123.11716	9.1
125.09663	1.6
127.03947	3.4
131.08586	4.5
133.10129	9.6
135.10783	1.3
135.11694	5.3
137.09642	1.7
138.51303	1.3
143.08577	1.3
147.04462	2.9
148.07693	1.3
149.13266	9.2
149.37392	1.5
151.11157	4.0
153.05495	1.6
159.11705	17.0
161.13243	3.5
163.03798	2.1
177.05530	1.8
177.12752	28.2
179.14340	10.9
179.16756	1.3
181.04945	2.1
187.13316	7.8
195.13803	3.6
197.13184	2.9
211.08614	1.7
225.10150	1.8
233.15448	1.7
237.02885	1.7
243.15932	45.8
251.16525	4.1
267.11267	2.5
269.17487	100.0
270.17743	2.1
295.10049	1.4
301.20139	7.2
313.11819	6.8
313.16360	4.0
318.06866	1.6
373.13989	22.9
397.02338	1.5
499.21234	1.9
499.29037	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	498.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95608	0.5
55.05487	2.1
57.03436	6.9
57.07066	1.2
58.06600	27.5
59.07382	9.3
60.08158	8.0
67.05508	6.6
69.07046	3.1
69.47913	3.6
69.48324	1.0
73.02905	1.3
75.04468	3.3
79.05474	2.2
81.07056	5.6
83.04950	1.0
83.08612	1.2
84.08122	0.8
85.02872	2.6
87.04459	4.3
91.05461	1.2
93.05540	0.8
93.07024	2.3
95.08605	4.7
105.05453	0.7
105.06952	0.8
107.08591	1.3
109.10134	1.6
119.04076	0.7
119.08565	0.7
121.10171	1.0
131.07024	1.8
133.08592	0.7
135.11659	0.7
144.10188	7.3
162.11299	3.7
203.78745	0.7
214.02126	0.6
218.13916	0.9
222.79059	0.6
235.98515	0.7
236.14925	100.0
237.15242	0.7
269.17191	0.6
287.26929	0.6
463.30777	1.1
480.30112	1.3
480.36908	22.7
481.36761	0.7
498.37878	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	498.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00103	0.6
55.05506	2.6
57.07078	33.7
59.04985	0.8
59.84333	0.8
67.05504	0.9
69.07057	2.5
70.83303	0.8
70.83627	1.2
71.08633	28.5
73.06566	5.7
77.05880	0.6
81.07059	1.2
83.08628	2.0
85.10187	22.5
87.04474	3.2
89.06034	100.0
91.07610	0.8
93.07051	1.2
97.10194	3.9
99.11750	4.6
107.07078	1.0
111.11767	0.8
113.13292	2.0
117.09145	4.5
130.08614	1.5
131.07068	1.2
133.08609	50.6
135.10146	1.1
155.17946	5.1
177.11230	17.8
178.43546	0.7
199.20522	3.8
221.13881	3.3
239.14899	3.4
240.23352	0.9
243.23218	9.0
253.92645	0.8
283.17624	2.2
287.25854	5.0
327.20151	9.5
336.13434	0.7
481.37375	13.2
498.41086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64842	1.4
62.15237	1.6
74.73531	1.4
82.99868	2.5
85.01428	1.5
94.93002	2.1
101.00876	18.0
103.02443	4.5
108.31081	1.7
109.02879	1.7
113.00869	6.3
119.01927	28.7
127.02447	15.5
129.04010	1.8
131.01927	15.7
139.02374	3.0
141.08905	1.5
143.01921	25.4
145.03473	51.0
147.01392	3.4
149.02939	1.8
155.01892	32.9
155.03090	2.6
157.03496	20.7
161.02950	21.4
163.04478	3.5
167.01913	14.4
169.03430	6.0
171.01424	8.1
171.05063	2.7
173.02980	52.3
175.04576	3.8
179.01903	4.9
181.03528	2.8
183.01434	3.3
185.02969	47.8
187.04503	5.5
189.02425	9.8
191.04036	1.8
197.02951	18.0
199.00941	5.6
199.04535	4.5
201.00740	1.7
201.02545	3.2
203.04022	14.2
209.02925	3.1
215.04073	9.5
217.01967	63.6
221.05118	4.4
227.04051	12.0
229.01894	10.2
235.03004	15.1
241.86192	1.8
245.05098	100.0
246.05194	3.1
247.02882	12.8
252.74950	2.3
257.04959	10.7
258.04868	2.3
263.06070	9.6
275.06131	14.9
277.04022	15.4
293.07269	4.0
301.04077	14.0
305.07224	9.9
306.90381	3.8
319.05130	25.0
319.08603	2.2
335.08072	4.6
337.06161	29.0
337.09961	2.4
365.09366	8.7
386.21173	1.6
499.11456	28.7
502.20663	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08141	0.7
53.77421	0.8
54.24833	0.6
55.05510	1.5
56.96566	1.2
57.03448	0.8
65.03931	0.7
67.05501	1.3
69.03440	1.8
69.07064	1.4
71.59919	1.1
79.05497	1.8
81.03390	1.1
81.07063	3.6
82.71980	0.7
85.02878	1.5
91.05481	6.4
93.07054	2.4
95.08611	2.6
97.02930	0.9
97.06548	2.3
99.04467	0.9
105.03383	1.1
105.07039	2.0
107.04874	0.7
107.08607	1.1
109.10159	1.7
116.17650	0.7
117.03380	0.8
119.04925	1.2
119.08566	2.0
121.10165	0.7
124.08495	0.6
125.09686	0.8
131.04893	0.8
131.08595	1.0
133.10110	1.3
135.11700	0.9
137.05962	1.0
143.01064	0.9
145.02789	0.8
147.04451	2.3
147.11719	0.9
154.40714	0.8
155.73268	0.7
159.11707	0.9
163.03926	2.5
167.03256	0.8
175.11119	1.1
177.05501	1.8
185.04297	1.0
189.09015	0.7
195.92470	0.7
227.05289	3.9
251.06760	6.8
271.04242	9.0
273.09964	1.0
279.98550	0.8
311.11755	1.1
315.04898	1.4
316.05453	3.8
317.05722	4.3
317.09079	0.8
331.08105	3.2
332.08459	7.3
333.08624	10.2
365.16574	1.0
377.08490	1.5
413.12082	6.2
455.13193	46.2
456.13391	1.7
499.12137	100.0
499.27374	2.5
500.12485	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	499.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02422	0.2
52.23558	0.2
53.03941	0.6
55.01880	0.2
55.05509	0.7
57.03419	0.2
61.77540	0.2
63.02380	0.5
65.03938	0.3
67.05500	0.8
69.03450	1.0
69.07069	0.3
70.06580	0.7
71.04978	0.4
71.09221	0.2
71.33966	0.4
72.08150	0.3
79.05507	1.4
81.03414	0.8
81.07055	0.8
83.04970	1.0
83.08612	0.5
84.08166	0.4
85.02900	0.6
86.09704	0.4
89.03917	8.7
91.05483	0.7
93.03395	0.2
93.07050	0.6
94.13965	0.2
95.04975	2.6
95.08598	0.4
97.02877	0.6
97.06511	0.2
98.97566	0.2
99.04472	0.2
100.11255	0.5
105.04505	0.3
105.07027	0.5
107.04958	2.2
107.08603	0.6
109.02877	0.5
109.06535	0.3
109.10149	0.6
110.07159	0.2
111.04447	0.7
111.08086	0.2
113.65138	0.2
117.03382	10.5
119.04913	0.4
119.08555	0.3
120.08080	0.4
121.06443	0.2
121.10173	0.4
123.11704	0.4
127.03948	0.5
128.10672	0.3
131.08575	0.2
133.10136	0.4
135.04420	18.8
135.11734	0.2
137.05931	0.3
137.09717	0.3
139.03856	0.2
145.02852	13.3
145.10118	0.2
147.04353	0.3
149.05962	0.2
157.10027	0.2
158.06027	0.2
159.08150	0.2
160.07669	0.2
161.09573	0.2
163.03908	100.0
164.04237	0.9
165.05464	0.2
165.12740	0.2
167.07063	0.3
175.03880	0.4
177.05508	0.4
181.04930	0.4
186.05530	0.4
207.06509	0.5
210.14944	0.5
219.06526	0.2
255.17020	0.4
289.05344	0.4
319.08133	12.9
319.22784	0.2
320.08337	0.2
327.00449	0.2
415.89822	0.2
451.31573	0.2
467.20215	0.4
481.34021	0.3
499.12357	2.3
499.21356	1.3
499.35446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.5
71.59332	1.5
85.02895	3.6
89.03879	2.4
98.97582	3.3
110.07197	1.5
116.98605	1.5
117.03349	3.9
121.02882	1.5
122.03656	1.5
135.04431	7.0
137.05968	15.6
145.02834	8.2
147.04396	2.5
150.05435	2.8
163.03908	34.2
170.99741	1.3
176.06973	1.4
178.71106	1.2
205.04733	20.7
234.12422	4.4
250.08107	1.3
251.08945	11.9
271.04300	3.5
279.06424	1.5
301.12061	1.6
319.08047	3.6
337.05475	1.6
413.14157	8.5
455.15234	34.2
455.21136	2.4
499.14127	100.0
500.14801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.1
58.06619	0.4
65.03880	0.5
67.05482	0.8
69.03409	0.8
70.06599	2.6
71.58994	1.0
72.08154	0.7
73.02932	0.5
73.68239	0.5
79.05471	0.8
80.67587	0.4
81.03423	1.1
82.22546	0.5
83.04971	1.0
84.04488	0.6
84.08136	0.8
85.02928	1.9
89.03916	1.1
91.05476	0.7
95.04963	1.0
97.02891	1.2
98.97575	1.2
107.04964	0.9
109.02904	0.9
110.07188	0.6
111.04485	0.9
116.98586	0.8
117.03390	1.8
121.06451	0.6
123.04420	2.1
127.03892	0.7
127.05112	0.6
129.05562	0.5
132.04298	0.6
135.04419	3.9
136.07631	0.6
137.06044	1.1
145.02875	3.1
147.04416	0.8
149.05896	0.5
152.07082	1.2
155.10435	0.5
160.07634	1.4
163.03906	17.9
166.05013	1.3
167.07071	1.1
175.03761	2.0
177.05542	0.8
178.05025	1.4
203.03517	0.6
205.06606	2.0
223.07458	1.0
233.06110	1.9
237.02856	0.8
237.05240	0.6
237.07414	1.5
244.09753	0.6
249.46896	0.5
251.07144	2.5
261.05450	0.9
279.06546	5.3
283.06131	1.4
283.10870	2.1
285.09473	1.6
297.07587	3.0
301.11987	1.8
307.06122	1.4
319.12878	4.6
325.06964	4.7
337.07147	1.5
337.11728	0.9
409.14606	0.9
441.13663	1.6
499.17957	100.0
500.18320	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	500.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
60.30663	0.5
67.55415	0.7
69.03421	1.1
69.73589	2.5
70.06593	1.8
76.43318	0.5
81.03403	0.9
83.04961	0.7
84.08154	0.6
85.02910	3.4
89.03924	0.9
94.04224	1.2
98.97578	1.0
107.04963	0.8
109.02895	1.0
117.03369	1.4
121.02851	0.6
122.03685	3.4
127.03910	1.0
135.04417	1.7
136.04742	0.7
137.05978	100.0
138.06311	1.2
145.02898	1.2
145.04982	0.5
146.03198	0.7
147.04431	1.2
149.05949	1.2
151.07533	0.9
159.74841	0.6
163.03905	7.4
164.04221	3.4
167.42459	0.6
177.05409	1.5
179.07040	0.7
181.06473	1.0
202.10718	0.7
205.04642	0.7
206.04739	1.1
213.09148	1.2
235.12729	0.6
237.02824	0.6
251.81430	0.6
273.11215	3.2
285.07925	0.5
285.11200	2.2
303.12216	0.8
339.06882	0.6
456.15433	2.3
500.14114	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	500.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
54.49808	3.5
55.05496	5.5
57.03436	7.4
62.77874	3.3
67.05488	11.0
69.03419	10.3
69.07064	7.2
70.06599	23.0
71.59963	3.8
72.08157	23.6
73.23942	3.9
79.05483	9.8
81.02968	7.5
81.03419	100.0
81.07039	14.1
83.08607	30.5
84.04472	5.0
84.08144	19.0
85.02899	15.7
86.09715	9.1
91.05467	24.2
93.07025	5.4
95.04972	38.8
97.02879	14.5
99.94317	3.8
100.33865	3.4
105.07035	10.6
107.04962	11.0
109.02867	5.1
110.07169	8.7
111.08068	12.9
119.04928	9.4
119.08573	16.5
121.10164	6.6
123.04458	4.8
127.03928	6.7
129.07004	11.8
129.10213	6.3
131.08580	8.1
133.10144	8.1
137.05980	5.8
140.07057	12.8
142.07735	7.1
145.02896	10.3
147.04408	9.0
147.11661	10.4
149.09648	5.5
157.10123	12.7
163.03899	15.7
163.89328	3.8
164.04271	5.6
175.11203	14.9
177.05455	15.0
181.04951	5.3
193.12251	88.8
207.06500	15.6
211.13271	8.5
215.97203	4.7
267.15915	58.0
282.08286	6.2
285.16977	72.4
287.13895	7.8
303.71457	3.9
306.55673	4.2
309.07544	10.0
309.16986	14.7
310.07983	16.3
337.06873	9.3
338.07419	35.7
482.19244	10.5
500.17465	6.5
500.23474	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	500.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.05499	0.9
56.05035	1.3
57.07065	1.7
61.02916	0.8
67.05504	2.3
69.03416	1.2
69.07071	1.7
71.08625	1.3
71.60238	0.7
74.06076	4.4
76.65176	0.5
79.05511	1.2
81.03413	0.9
81.07063	2.8
81.21136	0.7
84.04520	1.2
85.02908	0.8
86.09707	100.0
91.03993	0.6
91.05471	0.7
93.07052	1.3
95.08615	2.4
97.02895	1.3
102.05550	2.4
103.03883	0.6
105.07072	1.0
109.10158	1.9
109.29428	0.5
119.08572	0.7
120.06583	5.6
121.10165	1.1
123.11758	0.6
130.05017	2.4
143.11775	1.6
215.13918	10.8
233.14980	6.2
268.22498	0.9
272.16138	1.9
283.54376	0.6
292.92648	0.7
315.14600	0.5
338.27582	0.7
407.37888	0.6
482.35971	6.8
500.31665	0.6
500.42786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.1
57.03443	16.0
57.07084	14.2
59.04999	2.1
65.03931	1.5
67.05511	100.0
67.10970	1.6
69.07076	34.2
69.39775	6.8
69.40201	6.8
71.05004	1.8
71.08628	7.2
79.05493	4.6
81.07066	19.1
83.08629	33.3
85.06527	1.9
85.10184	2.5
91.05487	7.1
93.07066	8.5
95.08610	9.7
97.10183	16.7
98.21512	2.8
107.08612	5.2
107.09389	1.6
109.10168	88.2
111.08082	5.3
111.11729	4.4
112.99371	1.7
119.08577	7.3
135.11731	1.8
137.09596	3.3
150.77733	1.6
155.10680	7.9
173.11769	26.1
194.32846	1.7
197.15877	1.6
229.14378	98.0
283.26166	2.7
311.25824	76.8
339.19858	1.8
465.35825	69.0
466.35947	2.3
500.46820	4.5
501.35150	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	501.1586
Annotation	KN-93
Peak:m/z	Relative Intensity
54.96855	0.4
56.96545	0.5
57.03419	0.3
61.96135	0.4
69.03420	0.9
70.06593	1.9
71.04973	0.3
71.59783	0.5
72.08151	0.9
73.02905	0.7
76.02230	0.5
81.03402	0.7
81.07048	0.7
83.98921	0.3
84.04514	0.4
84.08159	2.3
85.02901	2.0
86.09707	1.1
91.05501	0.6
97.02868	1.1
98.97578	0.8
105.07038	0.4
105.07755	0.3
107.08620	0.5
110.07088	0.4
117.03381	1.5
119.04969	0.9
122.02747	2.8
127.03830	0.6
127.12304	0.4
132.04459	0.9
135.11737	0.5
145.02840	4.6
147.04410	2.4
149.05984	0.6
160.07547	0.6
175.03960	0.5
176.07101	0.4
177.05475	14.5
181.04987	0.5
206.05562	0.5
207.06560	1.1
217.86497	0.4
253.06444	0.6
301.08664	0.4
317.08514	0.9
339.10742	0.8
370.08041	0.6
384.20346	0.3
471.10950	0.8
501.15799	100.0
502.16064	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	501.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01865	5.1
55.05507	33.5
57.03438	29.8
57.07076	15.0
61.02930	68.7
67.05508	44.1
69.03431	34.0
69.07071	47.9
70.76355	7.6
71.01354	3.0
71.04984	7.3
71.08627	9.5
72.90412	2.3
73.02919	31.2
79.05489	21.0
81.03411	28.5
81.07061	57.4
83.04974	3.5
83.08621	38.2
85.02905	63.6
85.06538	2.9
85.10175	3.7
87.04478	2.9
90.83056	2.2
91.03950	40.3
91.04895	2.2
91.05489	10.8
93.07047	30.7
95.04973	3.9
95.08608	49.4
97.02895	55.0
97.06516	5.3
97.10174	22.9
99.04433	13.3
101.02394	20.0
103.03948	8.6
105.07022	8.9
105.82655	2.5
107.08593	16.3
109.02917	10.9
109.10161	20.9
111.04446	2.7
111.08089	3.6
111.11703	7.9
115.03927	6.8
119.08569	4.4
121.10151	25.3
123.08031	3.1
123.11695	6.1
124.17914	2.6
127.03931	25.5
127.11190	2.3
129.05441	3.5
131.08580	2.7
133.10138	3.3
135.11717	17.5
137.13268	3.9
139.11182	3.7
145.04973	8.6
145.10144	4.8
147.11722	2.8
149.13292	7.1
153.12865	2.3
159.06470	2.6
159.11714	2.5
161.13208	2.9
163.11172	2.3
163.14870	5.2
171.11650	2.7
182.63237	2.4
182.92535	2.3
183.06494	4.8
197.13422	3.0
201.07584	4.6
217.71507	2.3
228.23076	3.1
247.24236	16.2
253.75388	2.3
256.26224	4.7
265.25275	36.8
334.96295	2.2
339.28958	100.0
347.38190	2.5
359.44583	2.6
367.28543	5.5
406.98813	2.8
465.31580	3.8
483.33008	7.1
501.34531	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49460	1.5
51.13900	1.9
52.16146	1.5
53.21568	1.5
55.05509	9.7
55.59013	1.6
57.03444	13.5
57.07083	26.2
59.04995	2.7
64.51389	1.6
67.05508	69.6
69.07065	6.7
71.03678	4.3
71.05005	2.9
71.08643	15.9
81.07057	17.6
81.96358	1.5
82.60574	1.5
83.08627	10.6
85.06524	2.9
85.10199	12.9
91.05421	3.8
93.07059	2.6
94.79052	1.8
95.08610	16.9
97.10167	3.8
100.96008	1.6
107.08610	2.1
109.10165	75.2
111.08108	2.5
119.08548	4.3
123.11697	3.8
137.09619	3.2
155.10695	9.0
173.11774	18.6
192.32336	1.8
229.14368	100.0
246.64043	1.7
296.24628	1.7
303.87625	1.7
313.27390	85.5
467.37390	57.1
467.44284	3.0
527.42114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01883	2.7
57.03441	3.3
61.02932	3.7
69.03072	1.0
69.03432	18.5
70.06580	1.8
70.14439	2.3
71.01338	1.0
71.05000	4.9
72.08163	0.9
73.02910	2.1
79.05492	0.8
81.03425	22.3
84.08144	1.2
85.02912	16.8
86.09711	1.9
87.04452	1.9
91.03956	1.1
91.05445	0.8
97.02906	7.2
98.21063	1.3
98.97621	1.3
99.04458	6.7
107.04942	0.7
109.02887	2.6
117.03378	0.6
117.05499	1.5
123.04424	0.6
127.03912	3.9
133.06763	0.6
133.07625	3.2
134.06047	1.5
135.04420	0.7
137.05991	1.0
145.02846	1.0
145.04977	2.0
146.06030	0.9
149.09625	0.6
151.03946	0.5
160.07607	1.6
161.07104	7.7
163.03911	0.9
163.08659	4.2
167.05606	0.6
167.06998	0.8
177.05482	1.9
179.08203	1.4
181.04994	0.9
189.06610	11.1
191.08186	5.4
207.07672	100.0
208.08015	1.1
219.07631	0.9
219.13567	0.5
221.09192	0.7
237.02826	0.6
249.08754	1.6
287.10394	0.9
305.11304	2.5
323.12402	37.2
341.13464	93.8
342.13828	1.0
503.20752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04535	1.0
52.57808	0.8
53.03937	1.5
55.01864	1.2
57.03432	1.6
65.03958	1.1
66.22967	0.8
67.05507	2.1
69.03423	6.1
69.07063	1.9
70.06601	2.6
71.05005	1.7
71.59628	0.9
71.60014	1.0
72.08156	1.6
79.05505	3.1
81.03428	2.4
81.07059	4.4
83.04977	1.5
83.08604	1.1
84.08137	1.7
85.02911	10.0
85.06529	1.7
86.09718	2.3
91.05461	6.2
92.12813	0.9
93.07056	3.5
94.04184	3.2
95.04979	2.5
95.08617	1.6
95.83702	0.9
97.02899	4.0
97.06547	1.3
98.74249	0.9
98.97598	2.5
99.04472	1.1
103.05459	2.0
103.15785	1.1
104.06251	1.4
105.07022	8.7
107.04964	3.3
107.08614	2.3
109.02851	2.9
109.06506	2.6
109.10170	2.0
115.03977	1.2
115.05441	3.6
116.98596	1.9
117.07034	2.5
118.04169	0.9
119.04942	2.0
119.08574	4.0
120.08132	1.4
121.06533	1.2
121.10190	2.2
122.03633	7.2
123.11696	1.6
127.03927	2.6
128.06216	2.7
129.07022	2.8
131.04915	1.6
131.08583	1.9
132.05713	2.9
133.04985	1.1
133.06500	3.8
133.10147	8.2
137.05978	100.0
139.11096	0.9
141.07007	1.1
144.05804	0.9
145.02892	1.6
145.06534	1.8
145.10204	1.9
147.04425	4.0
147.08032	4.3
147.11649	0.9
149.05992	2.5
149.09605	1.3
149.13278	1.2
150.26189	1.0
159.08081	3.3
160.05177	2.2
161.05978	16.6
163.07539	1.3
167.07091	2.1
173.13312	4.9
175.03963	1.7
175.07541	29.7
177.05489	2.1
179.07159	1.1
184.05215	1.6
187.07553	9.1
189.51515	1.0
190.07784	2.5
191.08545	6.5
191.14304	3.4
199.07600	10.0
202.07843	2.8
203.08615	5.3
205.06548	1.1
207.06537	2.3
208.08736	1.0
209.15428	1.9
218.07248	1.4
219.08073	11.2
220.08936	2.6
231.08081	7.9
232.08873	2.9
235.07639	1.5
236.08411	2.1
246.15002	2.1
246.65195	1.1
247.07599	5.1
248.08347	4.5
251.10683	16.0
255.06578	3.9
259.07346	4.5
259.09909	2.1
260.08456	1.2
261.09320	1.1
263.10706	2.7
264.07983	1.2
264.11487	1.1
276.07791	2.2
277.08636	3.5
279.10114	10.9
280.10715	1.3
291.10083	10.6
292.10941	3.3
293.08200	1.6
295.13290	1.3
308.10519	1.1
311.09180	1.5
311.12753	21.1
323.12738	15.4
323.25922	1.2
447.35941	0.9
485.19928	2.6
503.20901	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	503.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01875	1.6
55.05493	0.7
57.03428	2.2
61.02932	3.7
65.03941	0.9
66.04727	0.6
67.05511	0.8
69.03435	9.1
69.07076	0.6
69.32941	0.6
69.88736	1.0
69.89140	2.9
71.04990	0.7
73.02937	1.3
79.05488	1.7
81.03434	3.4
81.07057	4.9
82.06576	0.7
83.05024	0.6
84.04511	1.0
85.02914	15.4
91.03978	0.8
91.05486	4.5
91.14156	0.6
93.07048	1.9
94.04208	2.8
95.04974	0.7
95.08606	1.8
97.02911	6.7
97.06549	1.0
99.04444	1.1
99.08101	0.6
103.05468	3.8
105.07027	4.8
107.04957	1.3
107.08591	1.3
109.02893	2.5
109.06550	3.0
109.10186	1.1
115.05474	3.4
117.07050	1.7
119.04979	1.2
119.08599	2.7
120.08146	0.7
121.06508	0.9
121.10165	1.4
122.03629	7.8
123.11714	0.9
127.03927	3.5
128.06241	2.6
129.07011	2.5
131.04968	4.4
131.08568	0.7
132.05727	2.3
132.86778	0.6
133.06516	2.0
133.10127	0.8
137.05989	100.0
137.66756	0.5
141.07034	1.1
141.65491	0.6
145.04955	1.2
145.10185	0.6
146.03694	0.9
147.04373	1.3
147.08047	2.5
149.06003	1.6
151.07506	0.9
152.05042	0.6
156.05740	1.3
159.08057	1.1
159.11650	0.7
160.05182	1.9
160.88672	0.6
161.05984	11.2
163.07518	6.3
167.06966	1.0
168.05751	0.8
169.06519	0.8
171.08092	1.3
171.11676	0.9
175.07562	32.9
180.46149	0.7
183.54195	0.6
184.05212	2.1
187.07555	6.6
189.06886	0.7
190.07750	1.5
191.08575	5.3
191.14392	0.8
199.07573	14.6
201.09019	0.9
202.07854	4.2
203.08578	8.2
205.06546	1.4
207.06674	1.4
214.22394	0.6
218.07320	1.6
219.08063	7.8
220.08888	2.3
230.07341	0.8
231.08038	10.3
232.08932	2.4
235.11086	0.6
237.09145	0.9
245.09642	0.6
247.07597	4.4
248.08298	4.9
249.09152	1.7
251.10635	8.1
259.07581	5.7
260.08405	2.4
261.09103	2.0
263.10669	4.4
265.08481	0.7
276.07932	3.1
277.08621	2.5
279.10165	5.7
280.10907	1.0
281.07953	0.9
291.10165	13.1
292.10947	4.5
293.07990	0.8
295.13428	2.0
296.10355	0.9
298.20129	1.0
308.10522	1.6
311.12805	14.2
323.12802	23.3
325.14450	1.6
341.24554	1.2
358.53799	0.6
420.07895	0.6
503.19080	3.2
503.31061	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2469
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.03944	1.0
55.05510	1.0
61.02921	0.5
67.05507	1.5
69.03434	1.8
69.07068	1.5
71.60037	0.7
72.08152	0.5
79.05498	1.5
81.03423	1.9
81.07053	2.9
83.04998	1.2
83.08617	0.9
84.08168	0.5
85.02903	1.9
85.06579	0.4
91.05491	1.9
93.07051	2.1
95.04967	0.9
95.08624	1.6
97.02885	1.1
97.06532	0.8
98.97597	0.7
99.04505	0.5
100.11283	0.6
105.07032	2.4
107.04964	0.6
107.08589	2.2
109.02907	1.3
109.06522	1.0
109.10195	1.9
111.04461	0.4
111.08129	0.6
111.77013	0.4
115.05484	0.7
117.07059	0.4
118.08648	0.6
119.04942	1.0
119.08567	1.2
121.06590	0.5
121.10143	1.2
123.08038	1.1
123.11769	0.5
127.03943	1.7
131.08585	0.7
133.10136	1.4
135.04356	0.4
135.11685	0.9
137.06004	4.0
137.09608	0.7
145.02853	0.7
145.10153	1.1
147.04456	1.9
147.11734	0.7
149.13222	0.5
151.03951	0.7
157.10207	0.7
159.11748	0.5
160.07649	0.9
161.05994	0.6
161.13231	0.6
163.03909	0.9
163.11212	0.4
165.09177	0.6
167.06970	0.7
169.10217	0.6
171.11719	0.6
173.13335	0.6
175.04013	0.7
175.07568	1.2
177.05531	1.2
195.06525	0.5
203.05391	0.9
203.08658	0.5
207.06509	0.5
237.18506	0.6
249.08917	0.5
251.10782	0.5
259.09955	1.0
262.06161	0.5
305.24811	0.4
311.12741	0.7
323.12729	0.5
341.19473	1.8
355.17343	0.7
459.22040	1.4
471.22217	1.0
485.32620	0.8
503.24744	100.0
503.31387	4.8
504.25119	3.1
517.91791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05499	4.2
56.05034	1.1
57.03424	3.3
58.06585	3.8
61.02928	16.3
65.03938	1.1
67.05519	4.7
68.05040	1.9
69.03434	8.6
69.07062	4.1
70.06607	2.4
71.04976	2.4
71.60177	1.5
72.08147	1.6
73.02932	7.2
73.97095	1.2
79.05510	5.8
80.05020	7.0
81.03413	3.4
81.07068	8.3
82.06104	1.2
82.06586	24.8
83.04974	2.3
83.08616	1.6
84.04534	1.4
84.08141	2.1
85.02909	17.5
85.06543	1.9
86.09699	1.5
91.03958	7.5
91.05490	4.1
93.07060	5.7
94.06573	18.4
95.04969	2.7
95.08604	6.8
96.08111	2.9
97.02905	12.1
97.06541	3.1
97.08920	1.7
99.04462	1.9
99.08055	1.2
100.48717	1.0
101.02381	1.8
105.07034	4.6
106.06585	1.8
107.04996	1.1
107.08587	3.6
108.08124	15.1
109.02877	3.5
109.06493	2.2
109.10129	5.7
110.09724	1.0
110.40457	1.0
111.04433	1.0
111.08081	1.7
113.09641	0.9
115.03945	1.2
116.07107	1.1
118.06513	0.9
119.04926	1.0
119.08601	3.7
120.08111	18.6
121.10146	4.1
122.09741	1.7
123.08057	2.1
123.11715	2.7
123.46450	0.9
124.07626	1.3
125.09640	2.4
125.10723	1.0
127.03922	5.1
131.04839	1.1
131.08609	1.2
132.08102	1.6
133.10153	2.1
134.06122	1.2
134.09654	3.6
135.11697	1.6
137.05957	7.0
144.08043	1.3
145.10164	1.5
146.06078	1.3
147.04436	1.8
147.11678	2.5
148.07564	1.9
149.09674	1.2
151.03952	1.3
158.09604	2.0
161.06021	1.8
163.03864	1.3
163.07541	1.7
167.07066	3.3
175.03926	2.4
175.07552	2.2
176.14420	1.5
177.05486	1.4
186.09166	1.7
188.14359	2.8
192.13766	1.9
195.17519	1.0
199.07568	1.3
204.13857	1.9
206.15428	15.5
207.06544	2.9
214.15906	1.3
218.15419	1.2
220.17065	1.4
222.14958	1.1
224.16469	32.4
231.18544	2.6
232.16959	20.0
236.16493	2.5
248.16582	1.4
249.19653	22.9
250.17992	6.5
259.09747	5.3
262.18152	2.2
267.09070	1.4
267.20676	2.1
279.09970	1.1
280.19217	1.3
282.21030	1.3
291.10306	1.5
291.20715	2.8
298.20157	59.7
305.24777	1.7
310.20053	2.9
311.12784	1.4
322.20245	1.2
323.12885	2.7
323.23111	7.4
324.21768	4.1
324.25201	1.2
330.09930	3.1
336.21811	2.2
340.21085	1.9
341.24359	100.0
342.24698	1.6
353.24500	1.6
365.24484	2.5
383.25513	8.1
406.22379	1.5
407.25134	1.1
431.25610	3.2
448.25558	1.9
449.26486	6.2
450.26147	1.0
460.25525	1.5
467.27594	17.8
485.28552	9.7
486.27164	1.6
503.20178	10.0
503.29626	89.7
504.14990	3.1
504.30191	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	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
55.05518	15.6
55.71344	0.8
57.03437	1.7
57.07082	3.6
59.05019	1.0
64.59641	0.7
65.03931	3.3
67.05513	60.8
67.42413	0.7
68.02946	0.8
68.92516	0.7
69.03414	1.0
69.07077	10.8
69.92328	3.8
71.04999	6.6
71.08646	0.8
71.09122	0.7
73.06560	1.1
76.94135	0.9
79.05502	34.8
81.03439	1.4
81.07066	100.0
83.04984	2.1
83.08635	6.0
85.06550	10.3
91.05489	23.9
93.07055	31.9
95.04977	3.6
95.08616	21.2
95.09221	1.1
97.06528	3.0
97.10186	3.5
105.07040	15.3
107.08605	13.1
109.06548	1.6
109.10159	10.1
111.08095	0.8
117.07034	4.8
119.08599	12.1
121.10152	13.8
123.08076	1.3
123.11730	11.3
129.07045	1.4
131.08569	9.7
133.10133	15.2
135.11729	9.7
137.09651	1.1
139.11174	1.1
140.12805	0.8
143.08563	2.3
145.10133	5.5
147.11737	5.9
149.13278	4.2
151.11186	4.8
153.12830	0.9
155.08485	1.0
157.10178	1.1
159.11697	4.7
161.13300	3.0
163.14865	1.7
165.18600	0.9
169.12294	2.1
171.11755	1.7
173.13274	3.0
175.14896	1.9
175.31480	0.8
185.13263	0.8
187.13322	8.1
187.14809	1.3
203.14323	0.9
206.56517	0.9
261.22244	3.9
303.39978	0.8
358.68381	0.9
393.31653	1.6
411.32764	2.5
439.35541	0.9
469.05890	0.8
485.36642	2.9
503.37466	66.6
504.37820	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01853	5.3
55.05513	13.2
56.96592	6.5
57.03447	8.4
59.53430	4.8
61.02917	6.4
66.23389	5.0
66.67142	5.5
67.05499	19.4
69.03428	11.7
69.07061	16.3
69.75971	15.3
69.76360	11.6
70.06621	5.9
79.05489	14.3
80.53138	5.5
81.03425	12.4
81.07067	80.8
85.02934	33.9
87.00815	12.7
91.05471	11.1
93.07048	24.1
95.08614	23.0
97.02898	21.2
97.06496	5.9
99.04428	6.8
105.07048	20.0
107.08605	20.8
109.02887	17.6
109.10175	25.1
119.08604	26.0
121.06474	5.7
121.10125	19.7
127.03938	14.1
133.10123	10.9
135.11700	9.3
145.04890	9.9
145.10112	5.8
147.04388	13.2
147.11661	19.7
149.13300	7.1
159.11713	6.8
161.13342	7.5
163.14851	56.1
171.84633	5.8
188.63358	6.3
203.17984	100.0
218.95715	5.0
221.19069	12.7
246.64992	5.4
267.06363	6.7
330.09607	6.8
406.61731	5.9
504.14798	10.7
504.32761	18.2
504.38953	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23295	1.0
53.03940	4.5
53.81797	1.0
55.01867	4.3
55.05515	1.9
57.03442	1.5
61.02929	2.0
67.05507	7.9
69.03434	12.8
69.07088	4.9
71.04984	2.8
73.02903	3.6
79.05500	5.2
81.03426	12.7
81.07067	12.6
83.04971	1.3
83.08603	2.3
85.02417	1.8
85.02913	34.4
87.00835	15.1
91.05478	8.1
93.07034	7.6
95.04966	1.3
95.08036	1.7
95.08617	24.5
97.02902	16.3
99.04478	6.2
105.01881	21.0
105.07045	21.6
107.08597	9.7
109.02896	13.7
109.10155	10.5
111.11743	1.4
117.01843	1.8
119.08595	20.2
121.10179	5.7
123.11703	5.1
127.03931	34.6
129.01865	1.7
131.08530	1.2
133.10150	11.3
135.11682	2.9
145.04970	16.4
145.10028	1.8
147.02890	1.3
147.04315	1.2
147.11705	43.7
159.02892	10.4
159.11739	1.3
161.13284	8.0
162.87753	1.0
163.14838	2.1
165.36969	1.1
175.14819	1.7
203.17982	100.0
204.18280	2.2
204.35645	1.0
207.06378	1.3
221.19034	13.8
231.05029	8.9
249.05960	2.5
269.18488	1.1
311.19788	1.1
312.00040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23538	2.6
53.03933	4.1
55.01861	5.5
55.05519	15.6
56.96551	4.2
61.02916	5.4
67.05512	20.5
69.03430	6.8
69.07059	14.6
70.06571	2.8
70.72108	3.1
71.61082	4.6
72.34431	2.6
79.05491	13.9
81.03392	8.8
81.07066	39.7
83.04980	4.5
83.08613	6.8
84.08108	2.8
85.02918	18.3
86.09671	3.0
91.03970	2.7
91.05467	15.4
93.07055	33.0
95.04945	3.6
95.08611	40.3
97.02872	13.3
97.10146	4.4
97.63252	2.7
101.06001	5.0
105.01838	9.7
105.07039	38.9
107.08603	37.8
109.02822	8.9
109.06506	2.7
109.10175	22.5
111.08147	3.7
119.08584	27.9
121.10163	17.2
123.11649	5.8
125.09595	7.6
127.03874	12.3
131.08583	3.8
132.08116	4.3
133.10144	15.8
134.05943	3.0
135.11679	10.7
145.04930	7.7
145.10085	4.0
146.09604	6.8
147.04344	4.4
147.11688	27.1
151.11171	3.4
159.11649	3.3
161.13181	8.2
165.12698	4.2
175.14787	7.2
203.17989	26.8
204.47752	2.9
231.04959	6.9
251.94412	3.3
267.08859	3.7
285.10101	3.6
289.03217	3.5
299.05997	3.3
340.25827	3.9
368.25687	10.9
386.26877	15.1
404.27777	5.1
486.35693	4.3
504.32922	100.0
510.54425	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44883	7.2
53.03939	17.0
55.01871	13.8
55.05507	23.5
56.96582	10.5
59.72523	7.9
67.05506	56.3
69.03420	22.8
69.07067	69.1
71.59726	13.7
73.02917	11.9
79.05487	27.5
81.03423	17.6
81.07056	100.0
83.04992	15.3
85.02915	70.3
86.13792	8.2
87.00830	27.6
91.05489	33.0
93.07058	53.0
95.04967	13.8
95.08608	65.3
97.02873	24.4
97.06535	12.7
105.07031	72.0
105.26492	7.6
107.08617	42.3
109.02882	19.4
109.10131	59.3
117.07043	8.3
117.73958	8.1
119.08577	44.4
121.10139	35.7
123.11735	41.0
125.88742	8.0
127.03898	37.3
131.08525	8.2
133.10133	47.1
135.11646	22.7
140.80351	8.3
145.10124	9.4
147.04355	8.3
147.11716	45.4
149.13269	18.0
159.02888	14.1
161.13223	15.6
203.17931	50.6
259.57971	8.3
277.21283	7.7
278.21384	7.5
320.72433	9.1
368.17636	8.8
428.26910	8.1
442.41589	9.3
527.27258	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53692	1.1
64.03825	1.1
69.03439	1.9
70.06583	1.5
70.65240	1.7
70.65597	2.2
76.37254	0.8
81.03420	1.7
85.02931	1.6
89.03930	0.9
91.05505	7.4
97.02921	1.2
98.97600	1.1
103.05545	0.9
116.97896	0.9
117.03391	2.2
119.04957	11.5
121.02871	1.2
123.60146	0.8
129.87421	0.9
137.05998	1.3
143.98438	0.9
145.02834	3.3
147.04399	8.5
149.06058	0.9
167.07140	1.2
169.15723	0.7
170.51112	0.9
174.15158	0.8
175.03926	15.9
177.05522	6.4
179.07051	1.2
181.05019	2.1
207.06548	32.7
254.97345	1.0
299.14987	0.8
343.11954	1.3
369.11990	1.4
461.20023	13.8
487.21451	7.5
498.95096	0.8
505.22620	100.0
506.22940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	0.6
55.05259	0.9
55.05516	17.2
57.03441	4.9
57.07081	6.8
59.04993	0.6
65.03924	1.0
67.05511	14.0
69.03415	0.9
69.07076	13.9
69.61286	1.0
69.61691	2.8
71.05014	0.5
71.08637	5.3
71.12197	0.5
79.05499	8.0
81.03423	8.1
81.07060	11.1
83.04977	1.0
83.08632	14.9
85.10184	2.1
85.86639	0.5
89.10624	0.5
91.05490	6.3
93.07052	9.5
95.04967	2.5
95.08610	9.2
97.06527	2.3
97.10173	11.7
105.07040	5.3
107.08598	7.3
109.06526	0.5
109.10169	5.7
111.08063	1.0
111.11729	1.3
115.03654	1.1
115.05501	0.6
117.03388	0.6
117.07024	1.4
119.08577	3.9
120.25553	0.5
120.34576	0.6
120.96625	0.5
121.10162	4.4
123.08033	0.5
123.11671	1.2
125.09637	6.1
129.07022	1.1
131.08582	2.3
133.10129	2.4
135.08084	0.6
135.11734	3.1
137.13251	0.9
142.66635	0.5
145.02873	1.1
145.10133	1.8
147.11700	2.4
149.09738	0.6
149.13274	1.9
150.18727	0.5
156.97490	2.2
157.10197	0.7
159.11736	1.2
161.13286	1.5
171.10172	0.6
173.11772	1.2
173.13324	1.0
174.98540	1.1
175.11186	1.2
175.14932	0.5
176.99229	3.9
177.05482	3.8
182.99077	0.7
189.11234	5.2
193.12253	4.3
195.00320	100.0
213.00108	3.4
227.12813	6.3
229.14383	2.0
229.68594	0.5
239.23560	0.7
241.19498	0.9
243.21204	0.5
249.14818	1.2
259.20581	2.0
261.22214	3.0
311.25827	16.3
333.24234	1.9
351.24777	0.7
413.20667	1.1
413.30450	0.6
431.21500	0.7
449.21359	1.1
487.34186	2.0
505.25262	15.2
505.35138	6.3
506.26001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40209	1.9
53.03938	6.1
55.01883	3.4
55.05510	13.4
57.03451	4.1
57.07080	5.5
59.05007	3.4
65.03941	3.0
67.05504	25.0
69.03422	8.6
69.07071	45.0
69.49456	13.4
70.06598	3.3
70.93335	2.1
71.04993	7.4
74.06077	3.9
79.05492	21.7
81.03410	7.3
81.07057	100.0
82.89584	2.2
83.04973	3.8
83.08617	5.4
85.02917	13.9
85.06528	9.9
86.06034	2.3
86.09706	3.3
89.06071	2.4
91.05473	15.9
93.07043	38.4
95.04969	7.3
95.08036	4.3
95.08608	54.5
97.02883	4.4
97.06537	11.0
97.10182	6.4
99.08079	2.9
102.34657	2.2
105.03405	5.1
105.07034	27.5
105.55566	2.1
106.69144	1.9
107.04976	5.5
107.08600	40.5
109.02897	5.1
109.06516	7.2
109.10166	37.3
111.04454	2.0
111.08080	33.2
111.11717	3.7
117.07051	3.8
119.04936	3.1
119.08588	21.9
121.02888	3.1
121.06523	3.1
121.10142	22.7
123.04565	2.1
123.08064	3.8
123.11710	77.1
125.09649	7.3
127.03927	5.7
127.11216	2.9
131.08551	4.7
133.10132	19.8
135.04337	2.2
135.08078	3.1
135.11687	17.4
135.45142	2.3
136.03879	2.8
137.05988	7.5
137.09612	4.0
137.13290	6.3
139.11171	10.5
142.73004	2.3
145.02895	2.5
145.10144	9.1
146.06163	2.8
147.04391	3.5
147.11671	13.5
149.05920	2.9
149.09651	3.7
149.13264	9.2
151.03952	3.4
151.11177	21.9
155.10660	2.5
155.81876	2.5
157.12289	3.3
159.08040	2.5
159.11711	8.4
161.09631	2.9
161.13261	6.6
163.03952	3.5
163.14854	6.7
165.12782	4.7
167.05721	3.5
167.07045	15.2
167.08318	2.8
169.12326	4.1
173.05949	3.3
173.13281	3.7
175.03871	2.2
175.14830	7.9
177.05428	5.2
177.16429	5.0
179.14302	4.4
181.05019	7.1
187.07567	3.1
187.14841	4.0
189.16434	5.7
191.07001	2.3
193.05171	2.1
203.17955	3.6
207.06580	3.9
207.17430	2.4
215.17972	5.5
221.19083	2.5
223.09633	2.8
271.24255	8.4
277.25220	5.4
289.25290	25.8
295.06110	7.1
307.26321	76.1
321.07874	2.7
325.06949	4.1
325.27301	5.6
355.08160	4.4
367.08340	4.4
409.09048	4.8
475.16681	2.6
505.17343	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	505.3503
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.03942	1.8
55.05511	8.9
57.03434	2.2
57.06818	1.2
57.07082	17.3
57.18063	0.9
59.73152	0.9
67.05511	13.4
69.07081	8.5
71.04983	1.0
71.08640	10.7
79.05492	9.4
81.02968	1.7
81.03426	29.6
81.07065	17.2
81.07519	1.7
83.04987	2.0
83.08628	12.5
84.58324	0.8
85.10184	5.2
91.05469	7.5
93.07060	7.3
95.04973	8.9
95.08614	13.7
97.10172	6.4
101.44484	0.9
105.07047	5.4
107.04980	1.2
107.08614	5.2
109.06525	1.2
109.10156	6.3
111.08094	3.4
111.11721	1.3
111.52970	0.9
119.08582	4.3
121.10154	3.3
123.11732	2.0
125.09627	2.7
129.07037	2.4
131.08594	3.2
133.06552	1.1
133.10120	2.8
135.11697	2.5
137.09657	1.3
137.13147	1.1
145.10164	1.4
146.61992	0.9
147.08040	1.3
147.11681	3.3
149.09647	1.6
149.13329	1.8
157.10139	3.7
175.11188	3.4
189.11224	0.9
193.12276	15.5
195.09940	11.6
195.13762	0.9
227.12794	1.7
239.23724	4.0
249.14865	1.8
251.12581	3.8
311.25699	1.2
333.23956	1.5
504.29651	1.0
505.22589	2.9
505.34296	100.0
506.35193	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	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01867	3.3
55.05513	39.8
56.83130	0.9
56.96557	1.3
57.03444	5.8
57.07079	20.4
59.04997	2.3
59.80358	0.8
62.56467	0.9
65.03922	0.9
67.05506	46.3
69.03424	3.4
69.06712	1.3
69.07073	24.7
71.04995	2.0
71.08638	18.2
79.05498	30.7
81.03420	41.6
81.07057	38.2
83.04985	4.3
83.08620	36.8
85.06538	2.1
85.10183	8.4
89.39017	0.7
91.05484	21.6
93.07050	31.2
95.04974	13.3
95.08613	33.1
96.11750	0.9
97.02859	1.2
97.06537	3.5
97.10172	34.6
98.97577	1.2
101.06000	0.8
104.84758	0.9
105.07033	14.5
107.04942	3.1
107.08593	21.5
109.06528	2.7
109.10160	18.3
111.08090	5.8
111.11710	1.8
115.03664	1.7
115.05430	1.2
116.98620	0.8
117.07001	5.2
119.08585	15.6
120.24411	0.8
121.06563	1.3
121.10145	14.8
123.04408	1.0
123.08118	1.6
123.11713	5.1
125.09631	23.0
128.06198	0.9
129.06984	5.7
131.08571	9.8
133.10132	8.9
135.08058	3.1
135.11694	8.1
137.09618	1.0
137.13271	1.9
142.07777	2.2
143.10669	1.1
145.10126	5.5
147.11650	6.8
149.09618	3.0
149.13260	5.4
153.09096	1.6
156.97502	2.4
157.10172	4.6
159.11702	3.4
161.13260	4.7
163.14867	2.6
165.12782	1.2
171.10176	2.9
171.11617	1.4
173.11848	1.3
173.13246	3.6
174.98543	2.1
175.11244	4.6
175.14839	1.8
175.22835	0.9
176.99219	4.4
185.13287	1.5
189.11221	21.2
193.12245	25.1
195.00316	100.0
213.00177	4.8
227.12784	19.1
228.62602	0.9
229.14403	3.0
239.23711	5.3
241.19464	1.4
243.21065	3.4
245.13651	1.8
248.23418	0.9
249.14899	3.4
259.20554	4.2
261.22168	12.0
277.21402	1.1
311.25800	16.4
315.16077	0.9
317.24652	1.8
333.17044	1.0
333.24261	3.2
334.17618	1.3
413.30643	1.3
431.31027	1.5
449.21475	1.3
487.24106	1.0
487.34042	3.6
505.24918	12.7
505.35718	19.8
505.38513	26.8
521.35052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.01882	3.6
55.05515	34.7
56.96577	0.9
57.03444	6.1
57.07081	24.3
57.07362	1.5
65.03937	1.6
66.41048	0.8
67.05511	38.8
69.03423	3.0
69.06713	1.3
69.07075	23.2
70.89362	0.7
71.04984	2.5
71.08270	1.3
71.08634	16.7
74.26016	0.9
79.05502	23.7
81.03425	40.3
81.07064	37.4
83.04993	3.6
83.08624	31.8
85.02907	1.1
85.06556	1.6
85.10191	9.7
90.75027	0.6
91.05486	17.8
93.07050	21.2
95.04979	13.1
95.08612	27.6
95.09224	1.5
97.02908	1.8
97.06541	2.9
97.10175	27.0
98.20594	1.4
98.97613	1.1
99.08053	1.1
101.09653	0.8
105.04550	0.9
105.06369	1.0
105.07040	12.9
107.04941	2.8
107.08604	16.0
109.06556	1.6
109.10158	16.9
111.08099	5.7
111.11716	2.6
115.03675	0.9
115.05447	1.1
117.07008	4.0
118.98253	0.7
119.08599	11.1
121.06492	1.5
121.10151	10.7
123.08060	1.8
123.11742	3.7
125.09637	16.3
125.13257	0.9
129.07024	5.5
131.08571	8.3
133.06523	1.2
133.10129	7.5
135.08070	1.8
135.11707	6.8
137.09700	1.2
137.13251	2.5
140.60126	0.7
142.07802	1.5
143.08583	1.5
143.10696	0.9
145.10146	3.8
147.08038	0.7
147.11710	6.5
149.09645	2.1
149.13293	4.5
151.11174	0.8
151.14803	0.9
153.08981	0.9
156.97516	2.5
157.10152	3.5
159.11702	2.7
161.13293	3.4
163.11218	0.9
163.14832	2.0
165.12762	1.5
171.10228	1.7
171.11665	1.3
173.11801	1.6
173.13301	2.7
174.98497	1.2
175.11192	5.5
175.14832	1.6
176.99261	3.4
181.12337	0.7
183.70091	0.8
185.44055	0.7
187.14842	1.1
189.11263	15.2
193.12256	24.9
193.14017	1.2
195.00320	100.0
213.00134	4.4
227.12798	15.2
229.14357	3.0
231.01225	1.2
239.23718	4.4
241.19527	1.1
243.21092	1.2
249.14951	2.4
259.20557	4.0
261.22205	8.1
265.11346	0.8
269.02512	0.8
277.21609	1.1
311.25839	16.0
311.29514	0.8
315.16232	0.7
317.24829	2.6
333.17368	1.2
333.24127	2.1
413.30637	1.0
431.31137	0.9
449.21429	1.4
487.34305	2.0
505.25085	13.3
505.38617	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01870	2.9
55.05511	13.1
57.07078	36.6
65.03942	1.5
65.40540	1.2
67.05166	2.0
67.05508	32.3
69.03426	2.4
69.07068	17.2
71.05006	1.6
71.08633	32.3
71.59834	1.8
71.60233	1.9
73.04753	1.8
79.05491	17.9
81.03418	78.8
81.06577	1.8
81.07056	36.3
81.84065	1.3
83.04990	3.3
83.08624	32.4
85.10182	13.9
91.05475	17.9
93.07048	13.2
95.04971	20.4
95.08605	29.9
97.02853	2.5
97.06504	1.6
97.10161	10.1
99.11758	1.6
105.07042	13.3
107.04959	2.8
107.08599	6.1
109.06494	2.7
109.10165	15.3
111.08096	8.3
117.06995	2.4
119.08576	11.7
121.06506	2.2
121.10172	6.6
123.08085	2.2
123.11691	7.2
125.13313	1.5
129.07018	9.9
131.08534	7.2
133.06499	3.5
133.10133	6.2
135.11659	2.5
137.06024	1.2
137.09660	2.3
137.13268	2.5
142.07791	2.0
145.10132	1.5
147.07985	1.8
147.11714	5.8
149.09644	4.6
149.13286	1.9
151.14772	2.1
157.10124	8.9
165.12802	1.5
167.05537	1.4
168.34720	1.3
171.11696	1.3
175.11182	11.0
193.12254	33.8
232.13988	1.5
237.22063	2.1
239.23645	8.2
249.14905	3.7
505.38901	100.0
507.26303	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01867	1.2
55.05513	13.6
57.03430	2.9
57.07080	45.6
65.03928	2.5
66.51220	1.0
67.05158	2.2
67.05508	33.1
69.03447	1.9
69.07074	15.0
70.25409	1.3
70.25751	4.3
71.05006	1.4
71.08638	33.5
71.09031	1.8
73.17105	1.1
79.05504	17.5
81.03426	100.0
81.07063	35.5
81.09093	1.4
82.07332	1.3
83.04978	4.2
83.08629	31.9
85.02841	1.1
85.06522	1.4
85.10192	19.1
91.05484	22.2
93.07050	10.6
95.04973	25.7
95.08612	34.9
97.02892	2.1
97.06544	1.5
97.10181	10.7
98.20739	1.5
103.06911	1.2
103.28107	1.1
105.07047	12.3
107.04957	5.8
107.08606	5.7
109.06500	2.1
109.10166	13.3
111.04472	1.5
111.08100	7.3
115.05449	1.8
117.07054	2.0
119.04882	1.4
119.08587	13.4
121.06528	3.0
121.10154	6.1
123.04429	1.4
123.08049	1.2
123.11724	6.8
128.06198	1.3
129.07008	10.8
131.08575	9.3
133.06514	2.9
133.10130	5.6
135.11685	1.8
137.09642	1.7
137.13263	3.5
142.07793	3.3
145.10143	2.0
147.08058	3.6
147.11655	8.1
149.09656	5.4
157.10143	11.0
165.12813	1.8
169.30318	1.3
170.84621	1.3
175.11194	10.2
193.12254	58.5
213.12712	1.8
221.22627	2.0
231.13870	1.4
239.23654	12.5
249.14845	8.4
355.79684	1.3
505.22647	5.2
505.38922	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
52.27741	0.7
53.03951	5.5
53.04156	0.8
53.46237	0.8
55.01874	2.2
55.05516	15.2
57.03438	2.8
57.07079	43.4
61.13614	0.8
65.03937	2.2
67.05508	39.6
69.03436	2.3
69.07073	15.0
71.04990	1.1
71.08637	36.8
78.47227	0.8
79.05498	16.3
81.03422	100.0
81.07059	32.4
83.04536	0.7
83.04984	4.4
83.08625	32.3
85.02962	0.7
85.06548	3.1
85.10187	18.5
91.05487	22.3
93.07055	12.0
94.47889	0.9
95.04974	26.8
95.08612	34.0
95.09236	1.6
97.02905	2.7
97.06525	1.3
97.10157	9.5
99.08103	2.2
99.11755	1.6
101.05803	0.8
103.05484	1.4
104.31886	0.8
105.07041	17.9
107.04970	7.6
107.08614	6.1
109.06535	3.2
109.10159	19.9
110.08874	0.8
111.04456	1.5
111.08090	8.3
111.11703	2.1
115.05479	2.3
117.07037	2.0
119.08578	14.0
119.09380	0.6
121.06533	3.4
121.10133	6.2
123.04456	2.3
123.08086	1.8
123.11698	5.9
125.09675	1.1
125.13370	1.4
128.06258	1.3
128.98857	0.8
129.07004	11.6
131.08571	10.3
133.06506	3.9
133.10123	4.8
135.11763	2.4
137.09688	2.5
137.13303	3.5
142.07829	3.3
145.04247	0.9
145.10162	2.4
147.08035	4.0
147.11700	6.9
149.09639	5.4
151.11250	1.6
151.14951	1.0
157.10110	10.4
160.92284	1.0
161.13312	0.9
163.11208	1.1
165.12724	2.4
173.13194	0.9
173.48402	0.8
175.11221	10.4
179.14304	5.9
193.12251	66.9
221.17668	0.8
221.22615	2.0
231.13968	1.4
239.23747	12.3
249.14833	10.6
273.99841	0.8
277.21719	3.6
301.21313	1.0
357.97263	0.9
397.24875	1.0
505.39029	94.4
506.39273	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	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46471	0.9
53.03955	5.6
54.13449	0.8
54.39941	0.9
55.01869	2.7
55.05513	14.2
57.03439	2.3
57.07077	41.3
59.04994	1.1
59.64479	0.9
65.03951	2.5
67.05506	42.6
69.03441	1.5
69.07071	12.6
69.07410	1.4
71.04986	1.7
71.08634	32.5
71.60256	1.2
71.60628	1.4
75.50532	0.8
79.05499	17.5
81.03422	97.8
81.07059	36.6
83.04994	5.1
83.08624	29.9
85.06551	1.8
85.10189	16.2
91.05483	23.5
93.07053	14.1
95.04977	23.6
95.05543	2.0
95.08610	32.3
97.02903	2.6
97.06553	2.3
97.10175	9.2
99.08089	2.6
99.11790	1.6
105.07040	16.8
107.04957	6.7
107.08606	7.7
109.06547	3.9
109.10155	19.6
111.04458	1.7
111.08057	6.2
111.11738	1.6
114.51447	0.9
115.05499	2.0
116.06240	1.1
117.07047	2.7
119.04958	1.0
119.08592	14.6
121.06544	3.1
121.10132	7.2
123.04408	1.4
123.08089	2.2
123.11736	5.9
125.09634	1.1
125.13272	1.6
129.07022	10.4
131.07655	1.8
131.08559	10.8
133.06509	3.8
133.10136	5.9
135.11743	3.7
135.66365	0.9
137.09641	1.6
137.13290	2.8
142.07835	2.7
145.10155	1.9
147.08073	3.8
147.11696	7.2
149.09663	4.3
149.13222	1.1
151.11142	2.2
151.14931	1.1
157.10106	10.1
159.11732	1.3
161.13258	1.4
165.12871	1.5
173.11789	1.4
175.11194	9.7
179.14301	9.4
193.12254	57.0
205.12332	1.2
221.22717	1.2
231.13847	1.5
239.23738	9.2
249.14909	7.5
277.21512	4.6
328.64279	1.1
453.58902	1.0
487.34433	1.4
505.39056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53362	0.8
55.01874	1.4
55.05506	1.6
56.96566	1.0
57.03176	1.3
57.03440	17.8
58.06602	1.6
60.04522	1.2
61.02928	5.6
62.82309	0.7
67.05514	3.3
68.05022	0.9
69.03437	18.2
69.07067	2.0
70.06579	3.6
71.01351	2.4
72.04523	1.5
73.02922	33.6
74.06076	3.8
79.05491	3.8
81.03424	4.5
81.07062	5.5
83.04976	1.7
84.04491	1.1
84.08136	1.7
85.02414	1.6
85.02909	24.6
86.06075	3.7
86.09699	2.5
87.04471	1.7
91.03959	1.1
91.05470	4.6
93.07030	2.7
94.06594	0.8
95.04948	3.0
95.08595	5.2
96.04514	0.9
96.08936	1.0
97.02905	22.6
97.06534	0.9
97.10200	1.1
98.06031	1.0
98.97609	0.9
99.04429	1.1
103.05460	3.3
105.07032	7.4
107.04957	39.2
107.08588	3.3
109.02882	3.9
109.10166	3.1
110.10407	0.8
111.08081	1.2
115.03932	19.0
115.05443	3.2
116.10728	1.0
117.07035	1.5
119.08581	1.4
120.05650	0.9
120.08081	1.8
121.06499	1.7
121.10133	2.3
123.11687	1.7
125.05962	1.3
126.05492	1.0
127.03931	8.3
131.04916	1.1
131.08572	1.1
133.04973	4.9
133.06459	1.7
133.10159	2.6
135.08063	13.2
135.11702	1.5
137.05957	1.6
144.06575	3.8
145.02875	1.4
145.04996	6.8
145.10103	1.6
147.04410	2.2
147.11673	2.1
150.07607	1.6
162.07649	3.6
163.03961	1.6
163.06102	2.4
163.07539	39.5
167.07022	4.7
171.56143	0.9
177.05426	1.4
180.07796	1.7
180.08859	0.9
181.04956	0.9
181.08604	1.0
187.07594	1.2
195.10178	100.0
208.07103	0.9
223.06108	1.4
241.06987	1.3
262.40063	1.0
262.54315	0.9
269.00098	0.9
273.11285	1.1
294.11816	1.5
302.07410	1.2
308.26056	2.1
326.27075	5.7
344.27908	6.5
382.12845	0.8
396.85144	0.9
488.31906	1.5
506.33432	4.6
517.11139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10538	0.9
51.62275	0.9
53.03944	1.0
55.01870	1.5
55.05510	5.3
56.96570	1.3
57.03436	1.6
57.07069	1.3
57.59422	0.9
59.57010	0.8
61.27552	0.9
63.18457	0.9
65.03928	3.6
67.05502	5.3
69.03435	4.8
69.07080	5.4
69.45506	7.6
70.06584	1.2
71.04966	1.2
79.05503	5.8
81.03411	4.9
81.07059	9.7
83.04982	3.6
83.08627	2.5
85.02914	6.9
85.06564	1.3
86.09708	2.3
87.00802	1.2
91.05483	100.0
93.07045	10.2
95.04971	4.1
95.08607	6.5
97.02901	3.2
97.06537	2.5
98.05855	0.9
98.97610	1.9
99.00830	1.5
99.04465	3.4
100.11270	1.6
105.07032	5.3
107.04940	2.4
107.08586	5.8
109.02908	4.6
109.06529	2.4
109.10152	3.6
111.04421	2.3
111.08104	1.4
116.37408	0.9
117.07030	1.5
119.08575	4.5
121.06493	1.6
121.10145	4.4
123.08143	1.4
123.11748	1.2
125.05943	0.9
125.09618	1.1
127.03925	4.4
128.07094	0.9
129.06967	1.6
131.08585	1.6
133.06483	1.7
133.10139	3.3
135.08046	2.1
135.11691	2.7
137.05994	2.3
137.09648	1.3
145.04991	1.6
145.10147	3.0
147.11707	1.3
149.05971	1.2
149.09598	1.7
149.13217	1.4
151.03902	23.1
151.07512	1.7
154.02605	1.5
157.10173	1.5
159.11736	1.5
163.03896	1.4
163.07530	1.8
163.11252	1.6
165.09166	1.4
167.07057	2.0
168.13864	3.7
169.04987	2.0
173.09486	1.0
173.13263	1.6
175.07555	2.0
177.05571	1.9
181.04950	5.0
182.15421	1.5
183.06549	2.0
189.09129	2.5
191.07011	1.2
195.06541	11.5
196.13373	3.0
201.03738	1.0
203.05313	1.9
203.10751	1.6
207.06570	2.4
209.08121	3.8
210.15030	1.4
217.12132	1.0
219.01817	1.1
221.08199	1.4
223.09659	6.5
227.12708	1.3
231.04985	1.4
237.02776	1.2
237.11250	2.2
239.08994	1.1
241.08598	4.4
249.11476	1.9
251.12659	1.5
261.11240	1.0
263.12869	1.7
270.57224	0.9
279.03601	1.1
289.13950	0.9
291.15930	2.2
295.23618	1.1
312.26642	2.2
327.23129	1.7
329.24609	3.1
387.12653	1.0
395.22284	1.2
413.23053	1.1
431.24350	2.9
449.25424	28.3
463.22949	2.2
471.27460	1.8
473.39825	1.0
488.37070	1.1
489.28467	8.1
507.14224	1.2
507.22034	5.2
507.29349	33.8
507.37439	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	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
57.03434	12.7
57.07079	7.3
65.83199	4.2
66.40079	4.4
67.05514	55.2
69.07055	22.4
69.45333	4.3
69.54069	4.2
71.04958	6.2
71.60461	4.4
79.05510	40.1
80.48310	4.1
81.07059	55.9
83.08604	6.9
91.05489	26.4
93.07069	49.3
95.04984	9.2
95.08612	44.9
98.98473	52.7
104.73409	4.9
105.07032	20.3
107.08611	28.6
109.10172	25.5
117.06997	10.4
119.08581	19.2
121.10166	25.9
123.11726	12.1
123.90320	4.6
131.08586	14.9
131.13763	4.8
133.10156	13.1
135.11713	9.8
137.73026	5.1
145.10117	8.8
147.11665	10.1
149.13304	11.2
155.01064	21.3
159.11722	4.4
161.13258	6.4
173.02049	7.4
173.13290	7.5
211.03723	4.6
243.21135	7.6
261.22217	16.6
309.24057	4.5
317.24835	9.6
335.25858	100.0
389.79233	5.5
505.99905	5.4
507.18784	6.4
507.29510	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03938	1.6
55.05514	11.5
57.03442	8.3
57.07064	1.9
65.60346	1.6
67.05163	2.8
67.05509	41.5
67.24264	1.6
69.07082	9.5
69.82095	8.3
78.64722	1.6
79.05500	18.8
81.07061	39.2
83.04981	2.8
83.08626	3.7
91.05492	11.8
93.07053	26.7
95.04969	2.3
95.08619	30.2
97.06524	1.9
97.10166	1.9
98.20674	3.0
98.98479	53.5
100.40237	1.5
105.07038	10.7
107.08606	13.0
109.06503	2.5
109.10155	15.0
117.07034	3.7
119.08604	8.8
121.10160	11.4
123.08101	2.2
123.11702	4.6
131.08566	5.2
133.10162	9.0
135.11728	8.6
137.13225	1.8
145.10117	4.7
147.11699	4.2
149.13252	4.5
155.01076	3.8
157.10204	1.7
159.11696	4.0
161.13210	3.6
163.14845	1.9
173.02184	9.4
173.13268	3.2
179.06026	1.5
184.07375	3.8
185.13397	1.9
187.29585	1.4
204.47539	1.4
233.66624	1.7
243.21086	3.1
261.22238	7.3
291.22925	1.7
317.24783	4.8
335.25836	100.0
336.25934	3.3
356.04599	1.5
507.29996	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	507.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01863	1.5
55.05511	6.0
59.04982	1.2
59.90854	0.9
67.05505	7.2
69.03432	6.1
69.07070	6.6
70.13171	3.6
79.05488	6.5
79.48270	0.9
81.03407	1.7
81.07059	15.1
82.18311	0.9
83.01334	2.1
83.04987	7.2
83.08610	2.9
85.02905	1.4
85.06554	1.4
91.05489	12.1
93.07045	18.2
95.04948	2.5
95.08605	11.7
97.06516	3.3
97.10139	1.6
99.00817	8.1
99.04438	4.5
99.08098	1.0
105.07030	6.6
107.04896	1.0
107.08607	9.3
109.02865	2.2
109.06515	3.9
109.10163	4.9
111.04436	1.7
111.08074	2.6
113.02362	2.7
117.07009	2.3
119.08570	4.5
119.44574	1.0
121.06477	2.4
121.10143	5.1
123.08086	2.0
123.11668	2.1
125.05983	2.4
125.09649	1.4
127.03899	1.8
131.08546	2.5
133.06473	1.3
133.10115	3.6
135.04393	1.1
135.08066	2.5
135.11702	2.8
137.05991	2.9
137.09624	1.1
139.07510	2.3
143.08585	1.6
145.10109	4.3
146.05791	1.1
147.04425	1.7
147.08015	1.1
147.11700	1.9
149.02327	1.7
149.05934	1.9
149.09607	3.0
149.13234	2.2
151.03912	1.2
151.07536	3.0
153.05452	2.2
155.07033	2.3
155.08372	1.0
157.10088	1.6
159.11691	5.6
161.05977	2.4
161.09605	1.0
163.03917	1.5
163.07573	3.2
163.11206	2.2
165.09129	2.3
171.11627	1.4
173.13251	1.6
175.07518	3.5
177.05417	3.3
177.09090	2.3
179.07086	1.7
179.10561	2.1
181.04951	15.4
181.12148	1.1
181.65579	0.9
182.15346	1.2
183.06493	3.6
187.14885	1.4
189.09099	5.0
191.07019	3.2
191.10667	1.7
195.06522	40.2
203.10660	3.7
205.08681	1.2
207.06470	4.5
209.08101	14.5
213.16383	1.1
221.08150	5.2
223.09663	24.9
231.13872	1.7
237.11197	7.9
239.09106	2.3
247.09743	1.5
249.11250	4.3
251.12740	4.0
261.11249	2.0
263.12799	7.8
275.12860	1.3
277.14310	2.1
287.12753	1.7
289.14288	1.9
291.12967	1.1
291.15729	5.7
293.17447	3.3
301.14246	3.2
303.15976	1.9
305.17453	2.0
319.15231	3.9
357.20621	2.8
383.22079	1.5
395.22131	2.9
399.21344	1.3
413.23111	2.5
417.22672	4.4
430.50604	1.0
431.24274	9.1
449.25372	100.0
450.25558	1.3
453.26651	1.6
471.27570	7.4
489.28482	30.2
507.22296	1.9
507.29422	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	507.366
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
52.22900	1.6
52.90023	1.3
53.73636	1.3
55.05516	1.8
56.13409	1.4
57.03444	1.4
57.07067	7.6
67.05498	8.0
69.07047	3.1
71.08603	4.0
71.59706	1.4
71.61623	2.0
71.62347	1.6
73.06855	1.2
74.01661	1.3
79.05486	2.6
81.03404	2.1
81.07063	6.6
83.08607	3.1
85.10163	1.6
91.05460	2.6
93.07018	3.5
95.08583	5.9
97.10167	3.1
100.08256	1.3
105.07044	1.4
107.08583	3.0
109.10150	3.4
120.28796	1.3
121.10143	2.7
123.11691	1.9
125.09546	1.4
135.11696	2.0
135.41335	1.4
149.13266	1.7
195.09906	6.2
249.85524	1.4
251.12508	3.2
507.36453	100.0
508.36627	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01874	2.8
55.05511	28.8
55.98672	2.4
56.38944	2.2
57.03438	14.1
57.07078	21.1
59.05003	2.8
59.58230	2.4
64.66111	2.3
65.03947	3.2
67.05507	100.0
67.05869	4.9
69.03445	3.0
69.07071	19.7
69.32838	17.0
71.05000	2.5
71.08629	12.9
73.27444	1.9
74.37209	2.1
77.02229	2.1
78.35143	2.3
79.05499	33.1
81.03416	6.1
81.07058	66.0
83.04977	3.8
83.08611	15.3
85.06544	4.1
85.10188	6.8
89.06013	2.6
91.05485	25.9
93.07047	39.4
95.04976	5.2
95.08611	52.1
95.09220	2.5
97.06528	3.3
97.10179	18.3
105.07051	18.6
107.08594	30.3
108.09006	2.3
108.53684	2.1
109.10160	53.6
111.08063	4.8
113.09615	2.9
117.07008	4.8
119.08590	19.3
121.10141	21.2
123.08043	2.5
123.11687	11.3
125.09642	11.9
131.08566	13.6
133.10126	14.7
135.08073	3.6
135.11653	15.4
137.09648	3.2
137.13293	5.4
139.11151	2.4
143.08583	3.2
145.10158	14.6
146.46333	2.3
147.11659	11.2
149.13300	9.4
155.10599	2.5
157.10214	3.4
159.11708	8.7
161.13316	6.2
163.11340	2.2
163.14833	5.5
163.72136	2.9
171.11758	2.5
173.11723	14.7
173.13281	7.6
175.14871	3.8
177.00594	2.9
181.10010	2.2
185.13237	3.9
187.14911	4.3
189.11217	8.6
195.00311	97.4
196.00775	2.8
213.00087	6.3
227.12798	11.6
227.16266	2.5
229.14342	33.2
231.15863	2.9
243.21126	3.4
261.22202	19.8
313.27441	24.7
335.25906	20.0
379.30096	3.9
397.30865	7.2
415.32104	5.1
433.33191	4.9
471.34537	6.0
489.35739	38.9
507.27109	76.4
507.36948	23.7
508.27301	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01867	2.5
55.05515	27.6
57.03441	6.7
57.07079	13.6
59.04992	3.7
61.32330	1.1
65.03951	3.1
67.05509	100.0
69.07066	19.7
69.77052	1.2
71.05006	4.3
71.08633	8.8
71.60279	2.1
79.05495	30.3
81.03410	6.0
81.07063	69.5
82.03751	2.5
83.04983	3.4
83.08623	18.4
83.39227	1.1
84.08923	1.7
85.06540	2.5
85.10194	2.5
91.05483	26.7
93.07051	35.6
95.04971	4.8
95.08614	41.9
95.61233	1.1
96.05386	1.1
96.08906	2.0
97.06535	3.2
97.10183	16.6
99.08092	1.5
105.07029	16.5
107.08601	27.1
109.06512	1.8
109.10162	59.3
111.08071	5.1
111.11687	1.6
113.09650	1.0
115.05473	1.3
117.07024	7.5
119.08576	15.7
121.06527	1.1
121.10144	18.0
123.08107	2.2
123.11710	9.2
125.09635	10.5
128.00389	1.0
129.07016	1.9
131.08586	13.8
133.10147	13.4
135.08083	2.0
135.11707	13.9
137.09628	2.6
137.13242	3.0
139.11171	1.2
143.08604	3.1
145.10135	11.1
147.11699	8.8
149.09659	1.4
149.13289	11.4
151.14897	1.3
153.09050	1.7
155.08597	1.2
155.10666	3.4
157.10129	1.9
159.11708	9.9
161.13261	4.7
163.11177	1.7
163.14839	4.4
166.94556	1.2
169.10173	1.8
171.10204	2.1
171.11679	1.9
173.11752	11.1
173.13306	7.0
175.14868	2.8
176.99298	2.0
177.12833	1.4
178.80099	1.1
185.13281	2.6
187.14835	4.1
189.11217	7.7
193.12297	2.0
194.12668	2.2
195.00273	6.3
199.14851	2.8
201.16508	1.8
227.12845	8.0
229.14349	32.4
229.16510	2.1
230.63336	1.2
241.19460	1.5
243.21101	5.4
259.20648	2.5
261.22150	30.6
261.24811	2.1
263.23813	2.0
275.20032	1.5
277.21619	1.3
297.31253	1.3
299.23697	1.6
313.27478	3.2
317.24948	5.6
335.25800	18.8
340.42191	1.6
375.71811	1.3
379.29880	3.1
396.78067	1.1
397.30902	7.2
415.32260	5.3
419.27322	1.4
433.23080	1.3
433.33191	4.6
471.35016	2.6
489.35828	31.8
507.25723	7.8
507.37537	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	507.3684
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
50.61697	1.3
53.03932	3.0
55.01865	1.6
55.05512	25.6
56.79231	1.2
57.03441	8.2
57.07078	12.0
59.05001	3.5
65.03920	3.7
67.05504	100.0
67.25304	1.4
69.07066	14.3
69.70632	3.9
69.71063	5.7
71.04993	3.4
71.08626	5.7
79.05494	30.6
79.74490	1.4
81.03414	3.9
81.07058	63.2
83.04979	3.8
83.08626	16.4
85.06555	2.5
85.10188	3.2
91.05485	20.3
93.06459	2.0
93.07047	33.2
95.04967	1.8
95.08610	45.4
97.06535	4.4
97.10155	12.4
101.56860	1.4
105.07035	14.9
107.08595	26.8
109.06509	2.4
109.10159	59.6
111.08081	3.8
113.09616	1.4
116.14407	1.3
117.07009	5.6
119.08587	17.7
121.10152	14.6
123.08048	2.2
123.11710	10.8
125.09612	7.8
125.13248	1.8
129.06990	1.8
131.08565	8.9
133.10147	9.8
135.08064	2.6
135.11696	12.0
137.09625	2.7
137.13229	3.3
139.11227	1.7
140.38234	1.5
143.08572	2.9
145.10130	7.5
147.11679	7.7
149.13255	8.5
153.09171	1.8
155.10658	2.9
157.10127	2.4
159.11710	8.4
161.13240	5.9
163.14854	5.1
166.79782	1.3
171.11665	2.7
173.11736	14.7
173.13278	7.2
175.14812	3.4
176.99254	2.9
183.11745	2.1
187.14842	3.8
189.11272	6.9
191.14365	1.4
191.86519	1.3
195.00273	9.7
195.13902	1.9
213.16510	1.8
227.12737	9.1
229.14351	34.4
239.23639	1.6
243.21124	5.6
259.20618	2.6
261.22183	21.2
263.23822	1.7
277.21686	1.5
279.23172	1.8
313.27399	3.3
317.24689	4.2
326.82852	1.5
335.25800	19.7
351.25381	1.6
379.29974	2.8
397.30966	6.2
415.32364	6.7
433.33081	3.4
471.34854	3.6
489.35803	29.3
507.26288	10.8
507.37054	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01874	2.8
55.05511	28.8
55.98672	2.4
56.38944	2.2
57.03438	14.1
57.07078	21.1
59.05003	2.8
59.58230	2.4
64.66111	2.3
65.03947	3.2
67.05507	100.0
67.05869	4.9
69.03445	3.0
69.07071	19.7
69.32838	17.0
71.05000	2.5
71.08629	12.9
73.27444	1.9
74.37209	2.1
77.02229	2.1
78.35143	2.3
79.05499	33.1
81.03416	6.1
81.07058	66.0
83.04977	3.8
83.08611	15.3
85.06544	4.1
85.10188	6.8
89.06013	2.6
91.05485	25.9
93.07047	39.4
95.04976	5.2
95.08611	52.1
95.09220	2.5
97.06528	3.3
97.10179	18.3
105.07051	18.6
107.08594	30.3
108.09006	2.3
108.53684	2.1
109.10160	53.6
111.08063	4.8
113.09615	2.9
117.07008	4.8
119.08590	19.3
121.10141	21.2
123.08043	2.5
123.11687	11.3
125.09642	11.9
131.08566	13.6
133.10126	14.7
135.08073	3.6
135.11653	15.4
137.09648	3.2
137.13293	5.4
139.11151	2.4
143.08583	3.2
145.10158	14.6
146.46333	2.3
147.11659	11.2
149.13300	9.4
155.10599	2.5
157.10214	3.4
159.11708	8.7
161.13316	6.2
163.11340	2.2
163.14833	5.5
163.72136	2.9
171.11758	2.5
173.11723	14.7
173.13281	7.6
175.14871	3.8
177.00594	2.9
181.10010	2.2
185.13237	3.9
187.14911	4.3
189.11217	8.6
195.00311	97.4
196.00775	2.8
213.00087	6.3
227.12798	11.6
227.16266	2.5
229.14342	33.2
231.15863	2.9
243.21126	3.4
261.22202	19.8
313.27441	24.7
335.25906	20.0
379.30096	3.9
397.30865	7.2
415.32104	5.1
433.33191	4.9
471.34537	6.0
489.35739	38.9
507.27109	76.4
507.36948	23.7
508.27301	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01871	6.0
55.05510	30.5
56.96550	8.0
57.07074	14.6
59.05010	7.6
65.03929	10.7
67.05511	59.6
69.03423	15.4
69.07071	51.2
71.04999	15.3
71.60605	7.0
71.61036	7.3
79.05491	44.8
81.03409	18.5
81.07054	100.0
83.04961	15.7
83.08624	25.3
85.02921	13.9
85.06540	72.6
91.05482	62.6
93.07047	82.2
95.04959	22.2
95.08606	98.0
97.02858	8.7
97.06527	25.4
99.04448	7.4
99.08102	8.5
105.07027	85.1
107.04932	11.1
107.08600	99.2
109.02913	11.3
109.06511	18.5
109.10168	81.7
111.04478	7.7
111.08076	56.9
113.09634	6.0
117.06978	9.6
119.04951	10.7
119.07870	8.9
119.08598	86.6
121.06477	15.9
121.10156	70.6
123.08076	16.3
123.11742	30.1
125.09650	52.0
126.32720	6.0
129.06990	10.3
131.08562	24.2
133.06497	15.9
133.10129	69.1
135.08125	11.7
135.11720	51.9
137.05949	9.5
137.09605	21.1
137.13286	20.1
139.07526	14.0
141.89215	6.0
143.08569	15.3
145.06462	6.6
145.10179	34.6
147.04480	10.9
147.08022	7.5
147.11703	50.4
149.09653	35.5
149.13255	30.2
150.06712	8.0
151.11188	20.6
153.09059	8.8
153.12769	10.0
155.10753	8.0
157.08609	28.3
157.10043	13.2
159.11711	26.9
161.09528	6.9
161.13271	37.6
163.11198	15.8
163.14879	17.7
165.09085	12.1
165.12743	27.5
169.10098	10.8
171.10141	14.8
171.11630	17.6
173.13286	31.9
175.07582	6.8
175.11206	18.0
175.14793	33.2
177.05457	8.4
177.12761	29.2
177.16283	10.9
179.14308	7.3
181.12308	11.2
183.11656	10.6
185.13263	8.6
187.14799	14.8
189.12772	9.3
189.16327	31.1
191.14326	29.7
193.08611	63.0
193.12257	14.6
193.15880	9.4
201.12769	8.0
201.16359	15.0
203.18092	7.5
205.15868	9.1
207.17509	15.1
217.15915	17.9
219.17482	9.1
229.19577	7.6
231.17393	9.2
233.19044	10.4
235.16924	18.1
245.19031	11.1
289.05319	18.3
361.27435	20.3
365.28424	8.7
383.29398	7.5
397.46310	6.4
401.23096	6.6
401.30093	8.9
419.31589	59.0
425.34024	8.9
443.35437	15.0
445.36844	12.6
453.33673	23.2
463.22913	7.6
471.34637	46.8
475.26617	8.5
489.35968	80.2
507.22021	33.1
507.29349	54.0
507.36777	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01871	6.0
55.05510	30.5
56.96550	8.0
57.07074	14.6
59.05010	7.6
65.03929	10.7
67.05511	59.6
69.03423	15.4
69.07071	51.2
71.04999	15.3
71.60605	7.0
71.61036	7.3
79.05491	44.8
81.03409	18.5
81.07054	100.0
83.04961	15.7
83.08624	25.3
85.02921	13.9
85.06540	72.6
91.05482	62.6
93.07047	82.2
95.04959	22.2
95.08606	98.0
97.02858	8.7
97.06527	25.4
99.04448	7.4
99.08102	8.5
105.07027	85.1
107.04932	11.1
107.08600	99.2
109.02913	11.3
109.06511	18.5
109.10168	81.7
111.04478	7.7
111.08076	56.9
113.09634	6.0
117.06978	9.6
119.04951	10.7
119.07870	8.9
119.08598	86.6
121.06477	15.9
121.10156	70.6
123.08076	16.3
123.11742	30.1
125.09650	52.0
126.32720	6.0
129.06990	10.3
131.08562	24.2
133.06497	15.9
133.10129	69.1
135.08125	11.7
135.11720	51.9
137.05949	9.5
137.09605	21.1
137.13286	20.1
139.07526	14.0
141.89215	6.0
143.08569	15.3
145.06462	6.6
145.10179	34.6
147.04480	10.9
147.08022	7.5
147.11703	50.4
149.09653	35.5
149.13255	30.2
150.06712	8.0
151.11188	20.6
153.09059	8.8
153.12769	10.0
155.10753	8.0
157.08609	28.3
157.10043	13.2
159.11711	26.9
161.09528	6.9
161.13271	37.6
163.11198	15.8
163.14879	17.7
165.09085	12.1
165.12743	27.5
169.10098	10.8
171.10141	14.8
171.11630	17.6
173.13286	31.9
175.07582	6.8
175.11206	18.0
175.14793	33.2
177.05457	8.4
177.12761	29.2
177.16283	10.9
179.14308	7.3
181.12308	11.2
183.11656	10.6
185.13263	8.6
187.14799	14.8
189.12772	9.3
189.16327	31.1
191.14326	29.7
193.08611	63.0
193.12257	14.6
193.15880	9.4
201.12769	8.0
201.16359	15.0
203.18092	7.5
205.15868	9.1
207.17509	15.1
217.15915	17.9
219.17482	9.1
229.19577	7.6
231.17393	9.2
233.19044	10.4
235.16924	18.1
245.19031	11.1
289.05319	18.3
361.27435	20.3
365.28424	8.7
383.29398	7.5
397.46310	6.4
401.23096	6.6
401.30093	8.9
419.31589	59.0
425.34024	8.9
443.35437	15.0
445.36844	12.6
453.33673	23.2
463.22913	7.6
471.34637	46.8
475.26617	8.5
489.35968	80.2
507.22021	33.1
507.29349	54.0
507.36777	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
53.79465	0.8
55.01869	1.0
55.05511	17.3
57.03429	3.1
57.07077	51.1
65.03938	2.8
67.05505	61.9
69.07067	26.0
69.07439	0.9
69.92075	2.0
69.92496	2.4
71.05001	3.9
71.08631	35.5
79.05495	33.7
79.05958	1.5
81.03412	2.6
81.07058	77.4
83.04991	8.4
83.08620	23.5
85.06545	3.4
85.10181	18.6
91.05481	21.8
93.07045	42.1
95.04968	6.3
95.08607	44.3
95.09233	1.2
97.06536	10.7
97.10172	8.4
99.08077	2.2
99.11751	1.0
105.04502	1.5
105.07044	7.8
107.04912	0.9
107.08595	22.2
109.06528	2.4
109.10156	16.4
109.24692	0.8
111.08084	3.5
111.11744	1.7
117.07018	9.2
118.08443	0.7
119.08588	1.6
121.06520	1.5
121.10158	11.2
122.13557	0.8
123.11722	10.2
125.13311	1.2
131.08553	8.0
133.10141	8.7
135.08070	1.6
135.11696	5.8
137.13246	2.5
139.11172	0.9
147.11664	1.1
149.13271	20.9
151.14833	1.2
152.81010	0.8
152.82326	0.9
159.11693	11.6
168.72215	0.8
169.93169	0.8
177.12718	5.5
195.13817	12.5
200.64044	0.8
213.14864	1.1
221.22652	1.9
232.31039	0.9
233.15331	1.2
239.23695	10.0
325.67386	0.8
423.85239	0.8
507.40469	100.0
508.40796	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	508.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05506	2.7
56.96557	1.8
57.03440	14.1
61.02905	1.2
65.65702	1.1
67.05486	5.2
69.03419	1.6
69.07064	3.6
71.04977	1.6
71.59295	1.4
73.02911	1.3
79.05493	15.7
81.03412	2.6
81.07069	7.1
83.04983	1.6
83.08594	1.9
85.02913	8.3
91.05484	68.4
93.07022	4.9
95.01347	1.9
95.04963	4.8
95.08590	4.6
97.02917	1.8
97.06517	1.2
97.47006	1.2
98.97573	1.8
103.05507	1.9
105.03398	77.9
105.07059	9.3
107.04965	1.6
107.08575	4.1
109.02858	1.5
109.06503	1.3
109.10136	2.0
113.02342	2.0
113.56654	1.2
116.98618	1.4
119.04921	1.4
119.08559	3.2
121.06540	2.1
121.10181	1.7
123.04425	14.5
128.78479	1.2
131.08517	1.7
133.06473	5.3
133.10112	2.6
135.11697	1.4
137.05972	3.4
137.09569	1.8
141.01776	2.0
145.02843	1.3
145.10094	1.6
147.04405	1.8
149.02371	1.7
150.06725	1.7
159.08054	1.3
159.11749	1.6
165.09131	4.6
173.92131	1.3
179.07043	100.0
193.08620	61.7
207.06491	1.2
225.18456	1.3
236.25371	1.3
238.82266	1.2
262.43793	1.2
269.17490	1.7
297.11249	23.3
349.23621	3.0
369.11996	1.8
508.29858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01859	0.9
58.99583	0.7
60.02615	0.5
64.97459	0.6
68.65697	0.6
70.64964	1.2
70.65338	1.3
79.05496	4.9
81.07019	1.1
86.00613	0.7
91.05465	2.5
95.04962	0.9
98.21518	0.7
99.31216	0.7
100.02244	0.8
103.05474	3.6
105.07034	20.9
107.04944	2.4
109.06506	1.3
115.05431	0.9
118.04153	3.2
119.04941	1.0
121.06481	1.3
122.07270	1.3
130.79396	0.8
131.04897	1.0
132.01115	1.2
133.06494	18.3
134.07323	0.9
135.04445	0.8
135.08052	1.7
137.04245	1.2
137.05963	6.6
148.05249	1.0
150.01343	1.0
150.06749	7.3
155.31740	0.6
161.06010	0.8
165.03697	2.0
165.09113	15.2
178.06261	1.0
193.03169	2.4
193.08609	100.0
209.10388	0.8
263.79697	0.7
268.82077	0.6
310.41028	0.7
314.10590	3.8
331.12494	0.8
440.53763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35987	0.6
61.62732	0.6
65.03924	1.2
69.40115	2.3
69.40536	3.0
70.06574	2.3
71.04948	0.7
71.88519	0.7
74.06067	0.8
76.60660	0.6
79.05493	0.6
81.07060	1.2
84.08160	0.7
85.02911	1.6
86.09697	1.2
88.03983	0.9
89.24859	0.6
91.05482	16.9
97.02923	1.0
98.97588	1.2
103.05464	0.7
105.03419	0.8
105.07065	0.8
105.09090	0.6
107.05003	0.8
107.08591	0.8
109.67261	0.7
110.07207	0.9
112.26167	0.6
119.04952	26.4
120.04475	0.9
120.08127	0.8
123.08065	3.1
127.03883	0.6
132.02057	1.5
132.51173	0.7
133.02782	1.8
134.05972	1.0
137.06007	1.3
138.05492	2.6
145.02817	1.1
147.04419	22.9
149.02365	0.8
151.07597	0.8
152.07071	1.5
157.03954	1.9
167.07013	1.5
174.02187	0.7
175.03915	38.5
177.05373	1.0
179.07027	2.0
181.04903	0.7
192.04269	1.1
207.06534	100.0
208.06882	2.1
253.22485	0.6
342.65646	0.7
351.11179	0.9
369.11859	2.6
393.69553	0.7
508.17694	1.0
508.24899	1.8
509.15884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
53.24554	0.9
54.28201	0.9
55.01877	1.0
55.05501	3.6
56.05036	3.3
56.96553	1.4
57.03428	3.8
57.07073	2.5
58.06606	47.5
59.03740	0.9
61.02922	2.5
65.03974	0.9
67.05508	9.0
69.03438	10.9
69.07069	4.6
69.95582	4.9
70.06604	6.6
71.04979	1.8
72.04524	58.8
72.08147	1.1
73.02924	1.2
74.06091	13.8
79.05488	4.5
81.03423	5.2
81.07066	15.1
83.04977	2.4
83.08612	3.4
84.08152	1.7
85.02914	28.8
85.06580	1.1
86.06075	100.0
87.04440	2.2
88.07628	1.4
91.05486	5.8
92.05830	1.2
93.07051	6.5
95.04956	4.1
95.08614	12.0
96.08124	1.1
96.66402	1.1
97.02911	8.2
97.06537	1.4
97.10171	2.3
98.06065	3.3
98.97553	1.3
99.00807	1.3
99.04475	2.1
103.05486	1.4
105.07033	5.6
107.08597	3.9
108.08120	3.0
109.02914	5.0
109.06531	2.7
109.10165	5.5
110.06030	2.9
112.07603	1.6
112.36501	1.2
117.03394	1.0
119.04935	4.2
119.08576	3.4
120.08108	3.2
120.60659	0.9
121.06521	2.8
121.10159	3.1
123.04441	7.6
123.08006	1.5
123.11717	3.7
127.03938	7.9
131.04915	1.2
133.06441	1.2
133.10136	2.1
135.08047	1.4
135.11713	1.9
136.07574	6.5
137.05992	3.1
137.09631	1.7
137.13275	1.2
145.04996	3.2
145.10176	1.6
147.04417	5.8
149.05914	1.1
149.09674	1.7
164.07085	12.4
165.05508	3.2
165.09128	4.7
166.08617	2.8
167.07018	1.4
177.05461	2.2
177.09097	1.1
181.05005	2.2
182.08197	1.1
189.09045	2.3
191.07007	1.1
193.08611	3.4
195.06534	3.7
207.06537	2.2
209.08180	1.4
218.10321	1.3
223.09608	1.8
225.18568	1.4
237.02873	1.2
237.11177	2.3
249.11237	2.4
256.06876	1.3
263.55814	1.1
264.26962	1.4
285.07156	1.3
292.26395	14.7
310.27441	75.3
311.27737	1.0
316.05725	1.3
327.13440	1.2
328.11734	12.1
328.28488	91.2
329.28851	1.7
345.09543	2.2
346.10031	7.6
346.16544	1.3
346.29465	3.3
370.29318	1.5
401.23355	1.5
433.25690	4.2
434.15793	2.1
454.31897	2.6
458.19080	1.1
472.32996	8.7
473.28879	2.1
490.33856	43.4
491.29526	2.4
508.20621	2.3
508.35797	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	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01887	0.5
55.05506	1.6
56.04562	0.4
56.05037	6.6
57.03436	2.3
57.13315	0.5
58.06599	2.2
61.02925	1.6
67.05511	4.7
67.31059	0.4
69.03431	6.5
69.07073	1.8
70.06593	4.7
71.01368	0.5
71.04995	0.7
71.10947	1.3
72.04511	1.1
73.02921	1.3
73.05294	1.0
73.46402	0.5
74.06082	100.0
79.05489	2.6
81.03423	2.4
81.07057	4.0
83.08625	1.2
84.08160	0.7
85.02907	13.0
86.06092	1.2
87.04481	0.9
88.07631	3.8
91.05476	2.0
93.07072	2.5
94.06587	1.4
95.04958	0.6
95.08607	3.8
96.08140	1.8
97.02880	3.5
97.06551	0.9
98.06103	1.0
99.04490	0.9
100.07631	0.9
104.07154	0.9
105.07043	1.7
107.08571	1.2
108.08131	0.9
109.02888	1.4
109.10175	2.2
110.09726	0.7
110.24410	0.5
116.07098	0.6
119.08652	0.6
120.66684	0.5
121.10134	1.1
123.11687	0.8
133.10106	0.8
135.11671	0.5
145.04947	0.7
187.08183	0.5
211.58017	0.6
274.25369	0.7
280.26303	1.0
292.26321	3.1
310.27377	7.4
328.28467	13.5
343.76352	0.6
346.29535	49.1
388.30566	0.7
416.87436	0.5
472.32730	1.1
490.33713	4.8
508.34848	87.3
509.35181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
54.95108	3.3
55.05506	26.7
57.03432	12.2
57.07066	13.1
57.76268	3.3
65.03947	7.7
67.05503	92.8
68.05856	22.1
69.07072	36.7
70.07379	3.7
71.04983	6.7
71.08635	6.3
79.05490	32.3
79.39252	3.2
80.05840	3.6
81.07062	80.7
82.07399	12.0
83.08636	23.7
85.06563	3.9
85.10184	3.9
86.09718	8.1
91.05467	19.4
92.05830	6.3
93.07040	31.0
94.07365	7.8
95.04984	6.0
95.08611	100.0
96.08949	12.6
97.10178	7.2
98.10512	4.6
105.07037	15.9
106.07351	3.6
107.08601	32.9
108.08941	6.3
109.10162	96.2
110.10490	22.4
110.11140	3.6
111.08059	7.3
111.11707	12.7
113.09652	22.6
117.06965	4.8
119.08572	19.4
121.10163	28.6
122.10474	5.2
123.08065	9.5
123.11710	30.3
125.09622	9.6
126.10043	5.0
131.08566	5.7
132.08932	4.7
133.10121	12.0
134.10512	5.7
135.11697	26.3
136.12027	8.3
137.13275	13.9
138.01915	3.2
139.07492	4.1
141.09140	37.4
145.10063	5.6
146.10492	6.4
147.11688	9.6
148.12105	3.9
149.13261	16.8
151.14825	4.2
153.09126	5.3
155.10657	4.5
159.11723	6.2
161.13286	5.4
163.14825	24.0
165.09143	5.3
173.11772	8.7
173.13210	6.5
174.12132	6.6
175.14825	4.6
177.16426	3.9
195.00372	6.4
195.13806	5.6
205.19540	10.7
223.16896	7.7
227.12816	6.8
228.13214	4.6
229.14351	16.3
230.14738	14.3
251.06192	3.8
261.22256	8.7
262.22504	12.1
273.25742	7.7
314.27621	4.2
315.26929	4.7
333.27896	17.0
335.25839	6.5
336.26126	14.6
398.31537	6.3
416.32388	7.3
427.35410	8.2
434.33765	4.7
455.35220	52.1
472.34930	5.4
473.36331	90.5
490.36011	33.3
492.05801	3.8
508.27136	6.8
508.36993	16.2
508.41037	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	508.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.3
55.19757	7.1
57.07103	10.3
57.56132	8.0
61.16729	8.0
64.61649	7.5
65.04566	7.3
67.05508	42.6
69.07076	22.5
71.59973	9.6
71.60368	10.2
74.85146	7.3
79.05496	18.6
81.07061	57.1
83.08610	22.4
88.20115	9.0
91.05482	17.6
93.07045	30.1
95.08603	67.8
98.43163	8.1
105.07005	18.6
107.08602	37.3
109.06518	8.7
109.10154	68.0
119.08585	19.4
121.10146	31.0
123.11703	31.1
125.09595	10.7
133.10146	15.6
135.11678	17.3
137.13312	10.5
147.11734	11.9
149.13281	16.8
161.13281	13.0
163.14786	16.2
169.30792	7.3
173.13309	13.4
175.11275	8.4
205.19492	20.9
254.78571	8.6
427.35846	18.9
437.34424	9.9
455.35187	32.7
473.36389	100.0
494.85770	8.3
509.32010	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	509.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84555	4.1
53.03934	5.1
54.62646	3.1
55.01861	7.4
55.05519	18.7
57.03428	7.5
57.07075	5.0
58.06592	11.3
59.04998	10.6
65.03934	4.8
67.05511	25.2
69.03425	14.6
69.07067	21.4
70.06599	6.9
71.01350	4.2
71.04982	5.4
71.60007	5.2
72.04521	14.9
74.06084	23.6
77.11127	3.1
79.05486	29.3
81.03408	11.1
81.07061	67.3
83.01336	6.0
83.04990	10.4
83.08633	11.5
84.04507	7.2
85.02910	25.9
85.06560	4.0
86.06078	29.9
91.05476	50.5
93.07042	34.4
95.01382	4.2
95.04962	16.6
95.08606	46.3
97.02888	9.0
97.06533	10.1
97.10169	4.1
98.97636	4.2
99.00823	26.1
99.04445	13.5
99.08088	3.8
103.05513	7.4
105.03421	4.4
105.07039	44.3
107.04955	10.6
107.08613	30.5
109.02868	7.3
109.06527	13.5
109.10170	25.7
111.04464	4.8
111.08093	5.5
111.11743	3.5
113.06065	4.2
115.05476	4.6
117.07021	7.2
119.04956	23.9
119.08559	28.6
121.02848	5.0
121.06546	6.0
121.10136	15.0
123.04423	7.7
123.08086	10.0
123.11699	17.6
125.06011	7.7
125.09650	3.9
127.03916	9.0
130.07753	4.4
131.04906	5.1
131.08539	8.8
133.06493	12.2
133.10146	13.8
135.08133	5.7
135.11705	9.7
137.05969	28.8
139.07501	5.2
141.07074	3.7
143.08571	6.8
145.06525	6.3
145.10141	11.0
147.04468	9.9
147.07971	4.6
147.11714	8.1
149.05983	9.0
149.09656	4.7
149.13234	5.0
151.03809	6.2
151.07558	15.6
153.01848	10.5
153.05467	11.3
154.02164	3.7
155.06987	6.2
157.06535	4.2
159.11678	6.5
161.06039	12.2
161.09625	4.4
161.13301	8.8
162.06783	4.4
163.03917	5.8
163.07495	6.0
163.11145	4.8
164.07069	11.6
165.05467	3.8
165.07616	5.4
165.09120	16.0
167.07050	10.9
171.07953	4.3
173.13251	4.2
175.07469	9.7
175.11293	5.5
177.05452	30.8
177.09039	5.4
179.07011	6.0
181.04976	41.2
183.06514	13.3
187.11145	3.7
189.09097	56.1
191.10608	5.3
193.08600	7.7
194.08853	3.8
194.78308	3.4
195.06544	75.6
201.16299	4.2
203.10649	8.9
207.06520	10.3
209.08063	22.3
209.11655	4.2
221.08070	6.3
223.09627	40.3
227.12753	4.6
229.12245	3.9
235.09583	5.5
237.02769	3.8
237.11208	51.7
249.11261	58.5
251.12901	4.8
253.05035	5.3
261.10559	10.5
263.12738	10.6
275.12863	5.8
289.14282	11.3
292.26224	4.9
294.05438	3.7
299.05545	5.7
303.15805	8.7
310.27417	18.2
311.27710	7.7
315.04993	14.7
315.08322	4.5
328.11856	6.5
328.28506	18.8
329.06433	8.1
329.12195	8.7
329.28882	10.7
330.26392	5.0
331.08029	24.7
343.08102	8.6
346.29565	9.4
355.08252	20.6
383.22186	17.1
397.23816	5.8
401.23264	28.4
415.24896	5.2
419.24280	12.1
433.25897	89.4
435.16187	3.9
443.07288	7.7
451.27097	5.0
455.27939	4.8
459.10730	14.3
463.09964	5.1
470.76840	4.3
473.28989	51.5
475.10034	4.9
479.13010	7.0
490.33856	6.6
491.13504	21.2
491.30035	65.3
508.34543	7.5
509.14597	100.0
509.31281	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14193	0.5
53.03938	0.9
55.01880	0.6
55.05515	2.5
57.03433	0.7
58.06581	1.9
59.04996	1.4
61.02936	0.6
65.03941	0.6
67.05510	2.4
67.30470	0.5
69.03423	1.5
69.07037	1.4
70.06596	0.9
70.76356	0.7
70.76717	1.0
71.04996	0.8
72.04511	1.9
74.06111	0.6
77.57304	0.5
79.05496	3.2
81.03431	1.3
81.07066	5.6
83.01359	0.7
83.04981	0.9
83.08595	0.5
85.02907	1.6
86.06063	1.7
87.62772	0.4
91.05489	4.9
93.07043	3.2
94.04200	4.2
95.04977	1.5
95.08614	3.6
97.02927	0.6
97.06543	0.6
97.10158	0.9
98.97590	0.6
99.00822	1.8
99.08091	0.6
105.07022	2.2
106.50484	0.5
107.04942	1.5
107.08607	2.7
109.02910	0.9
109.06551	3.9
109.10156	2.1
110.03661	0.8
111.04477	0.6
117.07040	0.8
119.08590	2.2
121.10131	1.3
122.03651	7.6
123.08191	0.5
123.11708	1.0
127.03916	1.2
128.06229	0.6
131.08533	0.6
133.06505	0.8
133.10115	1.2
135.04408	0.7
135.08099	0.5
135.11673	0.6
137.05986	49.0
145.06451	0.5
145.10136	1.2
147.04449	0.8
147.11797	1.1
148.18956	0.5
149.05975	1.1
153.01819	3.7
153.05534	0.6
161.09604	0.5
163.11180	1.1
167.07100	0.8
171.08018	0.6
171.98074	0.5
173.99289	0.5
175.07448	0.7
175.11232	0.5
177.05487	2.6
177.08968	0.6
181.04994	2.8
183.06522	1.0
189.09077	4.0
191.10571	0.7
195.06555	5.3
207.06511	0.9
209.08104	1.6
214.09926	0.5
223.09721	3.0
227.12842	0.7
235.29651	0.6
237.05403	1.0
237.11214	3.7
238.86838	0.5
249.05608	0.6
249.11214	3.8
250.06102	0.5
252.04166	0.7
253.04950	1.0
261.09665	2.7
265.05078	1.4
265.14481	0.7
266.05759	12.5
267.06458	2.2
277.04977	0.6
277.14264	0.8
278.05829	1.2
279.06534	0.6
280.03644	0.8
281.04431	1.5
282.05127	1.3
283.06061	0.7
289.14426	1.0
293.04584	0.9
294.05219	12.1
295.05966	6.7
296.06757	0.6
297.04065	1.3
306.05276	2.2
309.03790	0.7
310.04691	1.0
310.27344	1.4
311.05298	2.4
315.05093	0.7
322.04785	13.8
323.05618	2.5
324.06290	1.2
325.03479	2.0
326.04239	0.5
327.05032	1.0
327.13385	1.9
328.07254	0.6
328.28442	1.4
334.04739	1.5
339.05023	17.1
340.05801	14.1
341.06552	0.7
342.07565	0.7
345.07639	0.6
351.05084	0.8
352.05746	1.3
355.08151	100.0
356.07986	1.5
367.08203	4.3
373.07370	0.8
383.22220	0.9
384.06161	1.8
391.08060	0.7
397.07080	1.7
399.08661	1.2
400.05490	1.1
401.06631	1.9
401.23148	0.7
415.08273	2.5
415.24728	0.7
416.09061	0.6
427.08237	2.3
429.06036	1.5
433.09113	0.7
433.25897	3.4
441.09949	0.5
443.07645	2.9
444.08414	1.9
445.09134	0.8
458.10226	0.6
459.10831	2.0
460.08008	0.8
461.08618	2.3
473.29416	2.3
473.35748	0.8
475.10251	1.4
476.11118	1.0
491.13474	24.5
491.30011	14.8
509.14423	30.4
518.16248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01872	1.4
55.05516	4.5
57.03420	1.4
65.03935	0.9
67.05506	9.6
69.03410	2.7
69.07059	3.2
70.06579	1.3
71.04988	2.5
71.59866	1.4
71.60241	1.1
79.05505	8.1
81.03436	5.7
81.07060	11.1
83.04971	3.9
83.08601	3.0
84.04511	1.2
85.02892	3.9
85.06533	1.2
91.05486	8.7
93.07049	9.1
95.04950	3.7
95.08607	7.8
97.02863	3.5
97.06511	1.4
97.10155	1.7
97.35502	0.9
98.97608	1.5
101.00845	1.4
105.07026	6.9
107.04926	2.0
107.08605	6.9
109.02902	1.5
109.06510	3.0
109.10147	4.8
111.04427	2.2
111.08096	2.0
117.06980	2.6
118.76526	0.8
119.01911	1.2
119.08571	5.3
121.06481	1.5
121.10116	3.5
123.08081	0.9
123.11728	1.2
125.09627	2.0
129.06999	1.6
131.08568	3.7
133.10124	5.0
135.08070	1.3
135.11694	3.3
137.05956	3.2
137.09512	1.0
137.13280	1.0
143.08540	1.3
145.10110	3.0
147.04361	2.3
147.11659	3.7
149.09608	1.5
151.11162	1.4
153.01808	1.2
153.05461	1.2
159.11678	1.4
163.11153	2.6
167.06987	2.0
173.13113	1.1
175.11186	1.8
177.05399	1.3
189.09058	1.3
191.10704	1.6
193.12285	2.1
209.11693	2.5
216.04184	7.4
227.12717	3.5
244.03503	1.0
267.15930	1.1
271.04263	1.1
287.05841	9.7
289.05399	5.3
305.12225	1.1
327.05157	1.1
331.08252	1.1
355.08084	3.1
423.23215	1.1
438.01355	1.0
447.23679	1.3
465.24673	9.9
491.21524	5.2
509.11865	11.9
509.23434	100.0
510.24057	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	509.2762
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
55.05294	0.8
55.05522	9.1
57.05822	1.4
63.04174	0.7
67.05492	2.5
71.35864	1.4
72.08161	85.8
79.05491	2.1
81.03418	1.1
81.07060	2.2
83.08596	0.9
85.02898	1.3
85.05422	0.9
91.05490	13.5
93.07023	3.2
95.04962	1.5
95.08607	2.0
97.02894	1.0
97.06523	1.4
103.05452	2.1
105.07023	1.4
107.04961	2.9
107.08561	1.1
109.10149	1.5
118.06515	0.8
119.04960	6.9
119.08556	1.4
120.08114	97.8
121.06514	1.2
121.10120	1.0
131.08594	0.9
135.08080	0.9
136.07591	100.0
145.10205	1.2
146.05975	0.8
147.04512	1.0
147.58223	0.7
163.11186	1.0
170.03671	0.8
171.14928	13.1
174.12788	3.6
190.12325	1.7
199.14445	11.4
219.14958	23.4
219.17096	1.2
228.45346	0.8
235.14447	9.3
238.12314	2.9
247.14450	28.1
263.13956	14.4
273.19623	1.9
283.14435	17.7
301.19080	3.3
311.13937	23.5
317.18286	3.8
323.05356	0.8
337.18912	1.3
345.07339	0.9
346.21295	7.5
362.20801	5.4
365.18716	4.7
410.20807	9.9
437.25226	1.0
464.25281	2.3
481.28088	2.2
509.23492	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	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.4
57.03424	6.4
57.07079	3.4
65.99731	1.6
67.05515	30.8
69.07066	15.3
70.66946	4.1
72.38260	2.1
79.05492	9.7
80.26892	1.9
81.07060	32.8
81.80784	1.9
83.08619	9.8
91.05483	6.9
93.07056	11.0
95.08620	21.7
97.10164	4.5
98.98476	40.9
104.86063	1.8
104.91457	1.8
105.07033	4.5
107.08588	5.9
109.10156	11.6
119.08591	5.8
121.10130	6.0
123.11721	2.5
133.10149	2.9
135.11693	3.4
142.16971	1.8
147.11641	3.2
147.73050	2.0
155.01030	5.1
156.52995	1.9
173.02145	7.5
183.03456	1.8
185.05569	1.8
231.12184	2.1
232.44458	1.8
232.49130	1.8
263.23615	2.8
337.27383	100.0
338.27859	3.7
359.56967	2.0
428.34131	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	509.3115
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03946	2.8
55.01865	1.8
55.05284	0.9
55.05517	8.8
57.03437	1.7
57.07076	1.7
59.05005	5.7
65.03935	1.7
67.05510	9.3
69.03421	3.7
69.07074	7.0
69.54562	5.4
71.03753	0.7
71.04989	2.2
71.41047	0.7
72.04520	1.6
78.27959	0.7
79.05497	8.3
81.03410	1.8
81.07062	24.1
83.01351	3.0
83.04974	3.8
83.08627	4.1
85.02900	3.1
85.06548	1.4
85.86345	0.8
86.06064	2.9
91.05483	9.1
93.07053	12.4
95.01317	1.9
95.04958	3.4
95.08611	16.1
97.02908	1.6
97.06513	2.0
97.10174	2.2
99.00833	11.2
99.04475	6.1
105.07042	8.7
107.04932	2.3
107.08609	11.1
109.02877	1.6
109.06517	3.4
109.10155	6.3
111.08080	1.5
113.02342	2.0
117.07012	2.3
119.04970	1.3
119.08583	5.8
121.06516	2.2
121.10139	6.3
122.03674	1.3
123.08069	2.7
123.11731	5.5
125.05971	2.6
125.09634	2.0
127.03965	1.4
128.06201	1.3
129.07010	1.4
131.08580	1.9
133.06487	1.6
133.10094	5.1
135.04401	1.6
135.08032	3.1
135.11655	2.7
137.05983	12.2
137.09581	1.4
137.13245	1.9
139.07526	1.8
143.08575	2.2
145.10123	3.4
147.04407	1.1
147.08022	1.4
147.11729	2.7
149.05948	4.2
149.09613	1.7
149.13220	2.8
151.07545	2.2
151.11180	1.3
153.05438	3.7
155.07066	2.2
157.10115	1.4
159.11705	2.5
161.05983	1.8
161.09634	1.9
161.13214	2.0
163.03888	2.6
163.07542	2.9
163.11217	1.2
165.09123	2.2
167.07002	1.5
171.08000	2.5
173.09598	1.1
173.13231	1.1
175.07506	4.0
175.11163	1.1
175.14793	0.9
177.05470	11.9
177.09103	1.7
179.10686	1.0
181.04968	18.2
182.10924	0.8
183.06575	6.9
185.09624	1.2
186.51060	0.8
189.09126	26.5
191.07043	2.7
191.10721	1.8
193.12297	1.6
195.06546	35.9
203.10632	4.2
205.08577	1.3
205.12288	1.2
207.06606	3.8
209.08102	10.5
215.10619	1.7
220.07181	1.1
221.08109	2.3
223.09651	21.4
227.12816	1.2
231.13844	1.0
235.09621	3.5
237.11227	25.3
249.11252	24.6
251.12776	3.8
261.11200	2.2
263.12787	5.4
265.14447	1.0
266.05762	2.7
275.12695	2.7
277.14487	2.7
289.14355	3.6
291.15982	2.8
293.17371	1.3
294.05206	2.2
295.05872	1.2
295.62283	0.9
303.15939	3.0
305.17575	1.6
310.27383	1.2
311.27942	1.5
317.17270	1.1
319.18991	2.0
322.04752	1.9
329.06357	1.1
329.28900	2.3
331.08255	1.1
339.04977	2.8
340.05624	1.6
342.24838	0.9
355.08176	16.2
375.24979	1.1
383.22226	2.5
385.23813	3.4
397.23483	1.9
401.22961	4.8
403.24686	3.7
415.24344	1.3
433.25897	21.1
455.27814	2.6
459.10406	1.7
461.08746	1.0
465.16739	1.4
473.28992	19.0
491.13489	3.3
491.30048	100.0
492.30362	2.2
509.14178	7.1
509.31238	24.4
525.70721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3114
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
52.49791	1.4
53.03940	3.6
53.82045	1.8
55.01871	2.8
55.05518	14.6
56.05028	2.1
57.03423	2.4
57.07077	2.2
58.06586	2.1
59.04992	7.6
63.39063	1.5
64.45881	1.5
65.03977	1.8
67.05509	21.5
69.03429	6.2
69.07062	11.9
69.54597	12.7
70.06577	2.4
71.04993	4.1
72.04515	2.5
74.02434	1.6
74.06098	10.3
74.10086	1.6
76.55504	1.6
79.05489	14.9
81.03417	4.5
81.07059	46.4
83.01340	5.8
83.04971	7.9
83.08614	4.1
85.02899	5.9
85.06541	2.5
86.06077	5.7
91.05479	18.1
93.07053	20.2
95.01407	2.5
95.04974	7.3
95.08613	29.4
97.10186	2.9
99.00820	16.6
99.04438	9.7
103.05497	2.9
105.07040	26.2
107.04958	2.6
107.08601	15.4
109.02871	3.3
109.06505	7.1
109.10162	14.2
111.08109	2.3
113.02348	2.1
117.01867	3.0
117.06994	4.5
119.04937	6.6
119.08575	14.9
121.06554	4.0
121.10151	11.8
123.04436	6.6
123.08074	4.3
123.11706	11.0
125.06023	4.8
127.03872	3.1
128.06139	1.7
131.08533	4.6
133.06491	4.1
133.10126	6.7
135.04396	3.9
135.08067	4.1
135.11722	3.7
137.05992	10.4
139.07529	3.1
143.08527	4.0
145.10127	6.4
146.05925	1.5
147.04352	4.1
147.08005	2.7
147.11736	9.7
149.02351	3.1
149.05988	6.2
149.09560	4.0
149.13329	1.6
151.07590	7.8
153.01849	2.3
153.05431	5.6
155.07039	4.7
157.10117	3.0
159.11670	4.0
161.05995	4.6
161.09636	5.3
161.13293	6.8
163.03888	4.7
163.07538	3.7
163.11192	2.2
164.07085	4.4
165.07442	2.3
165.09187	3.8
165.12727	2.3
167.07025	2.1
171.08096	6.7
175.07539	7.3
177.05482	27.5
177.09146	3.2
181.04956	30.9
183.06552	11.2
189.09109	51.0
191.07005	3.5
191.10606	2.1
193.08600	3.7
193.12286	3.3
194.08922	3.6
195.06544	72.1
201.09093	2.4
201.16435	2.4
203.10684	5.8
205.08658	4.0
205.12279	2.8
207.06494	6.8
209.08086	22.5
215.10530	2.5
217.08647	2.5
217.12296	2.1
219.06563	2.4
221.08112	3.5
223.06323	2.0
223.09668	40.5
223.11858	1.9
229.12183	2.4
231.10242	2.6
235.09688	5.7
237.11221	43.8
243.13934	2.0
245.15384	2.1
247.09607	3.1
249.11249	52.4
251.12822	5.1
261.11130	7.2
263.12833	8.6
271.06357	1.7
275.12881	8.6
275.15439	1.6
277.14407	3.3
289.14291	18.0
291.15930	2.0
303.15997	8.3
305.17511	2.8
311.27704	5.2
328.11804	3.2
329.12082	5.8
329.28671	3.3
331.08218	2.1
339.04977	1.9
348.27222	2.4
348.31055	4.1
355.08047	4.1
357.20563	2.7
373.23880	2.4
383.22086	16.0
385.23221	2.4
397.23581	4.4
399.53757	1.8
401.23230	38.9
415.24603	3.2
419.24252	7.0
433.25894	100.0
451.26733	4.3
455.27350	2.0
473.28992	63.0
475.54181	2.3
491.13467	1.8
491.30060	58.6
509.14374	13.6
509.31241	41.4
510.36453	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	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01860	6.3
55.05494	4.5
57.03428	6.6
61.02924	2.8
65.03921	2.3
67.05499	4.2
69.03432	15.4
69.07064	2.5
71.04966	5.5
71.20455	4.7
73.02913	6.5
79.05477	6.1
80.05818	1.6
81.03432	17.8
81.07083	8.2
83.04992	2.5
83.08605	1.8
85.02907	40.8
87.00835	15.3
91.05485	100.0
92.05819	2.3
93.07024	6.0
95.04957	6.1
95.08604	4.2
97.02892	25.3
97.10199	1.9
99.04480	8.3
99.05035	1.7
105.01852	13.3
105.07012	7.3
107.04935	5.0
107.08552	4.1
109.02876	13.3
109.06510	4.6
109.10172	2.4
117.01839	3.1
117.07022	2.0
119.04932	2.0
119.08590	3.9
121.06530	1.7
121.10136	3.7
127.03929	31.6
131.08568	2.1
137.02261	2.1
137.05940	2.0
145.04958	21.2
147.04382	1.8
159.02907	14.9
191.14296	2.1
193.08601	3.3
219.13841	3.0
231.04962	2.8
245.08157	2.0
247.09341	2.1
337.66907	1.9
368.23114	2.5
398.44321	1.9
511.12350	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90638	0.3
53.03945	1.5
55.01865	1.7
55.05509	0.7
57.03429	1.0
61.02927	1.0
65.03942	3.1
67.05496	0.5
68.99802	0.6
69.03432	4.8
69.07070	0.4
70.08006	0.3
70.98725	0.7
71.04999	1.3
73.02924	1.5
75.68272	0.3
79.05488	0.7
81.03422	5.0
81.07065	1.0
83.04995	0.4
83.08613	0.4
85.02908	12.1
87.00359	0.5
87.00840	5.5
90.08492	0.3
91.05486	100.0
92.05829	0.5
93.07059	0.5
93.65318	0.3
95.05004	0.6
95.08580	0.5
97.02898	8.4
98.79832	0.3
99.04485	1.9
100.11270	1.0
105.01875	4.1
105.07050	0.8
107.08638	0.9
109.02877	5.4
109.10155	0.4
115.03946	0.6
117.01904	0.4
121.10150	0.6
127.03922	11.2
129.01900	0.4
129.07018	0.6
131.04930	0.4
133.10179	0.4
137.05980	0.3
143.08582	0.4
145.04970	6.3
145.06235	0.5
145.06425	0.4
147.02911	0.5
147.04465	0.5
149.09616	0.4
159.02898	3.2
165.19989	0.3
167.03397	3.9
169.06340	0.3
177.05525	0.3
182.15388	0.4
195.08316	0.3
213.04033	0.5
217.08572	0.6
227.07095	1.2
231.04991	1.6
245.08131	1.7
418.92767	0.4
435.40219	0.3
509.40662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3548
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.91337	0.4
55.05510	0.9
56.05031	1.4
56.84272	0.3
57.03429	0.7
57.06865	0.4
57.07082	4.1
58.06594	1.2
60.08168	17.0
67.05498	1.1
69.07064	0.8
69.90623	1.5
71.07377	6.4
71.08631	2.9
74.12368	0.4
81.07056	1.4
83.08633	0.7
85.10186	1.4
86.09710	53.1
95.08623	1.9
97.10213	0.5
98.98465	5.0
102.78633	0.4
104.10750	100.0
105.11082	0.6
106.70901	0.4
109.10190	0.7
123.11737	0.5
125.00011	29.3
145.28722	0.4
163.01596	0.8
184.07349	97.2
237.44080	0.4
258.11108	1.3
313.27341	2.4
327.28955	1.5
335.94034	0.4
338.27618	0.9
414.65372	0.4
492.34512	9.5
493.35434	0.4
510.35635	26.9
511.35626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05508	15.4
57.03429	6.5
57.07077	92.1
60.08158	5.7
67.05505	25.0
69.03438	13.8
69.07068	22.3
69.33560	11.2
69.33978	8.2
71.04998	4.0
71.08634	71.6
79.05499	4.9
81.03432	12.9
81.06630	3.8
81.07062	45.1
83.08629	31.0
85.02912	31.4
85.09706	3.2
85.10184	38.6
86.09718	15.9
88.66165	2.8
93.07047	4.3
95.08614	68.9
97.02898	22.1
97.10175	19.4
99.04436	5.0
99.11718	4.8
99.84788	2.4
104.10748	27.2
108.04451	3.5
109.02893	13.5
109.10163	32.9
111.11709	5.5
123.11713	12.8
125.00004	10.9
125.13277	2.6
127.03934	34.8
137.13251	6.1
139.14839	2.6
145.04965	25.5
151.14792	3.4
184.07353	30.2
198.46869	2.3
199.47334	2.4
239.21275	5.4
239.23703	100.0
257.24750	7.8
281.31607	2.2
288.52991	2.5
313.27368	49.1
331.28424	4.3
340.62497	2.3
383.22992	3.1
383.27930	50.0
401.28992	94.4
474.28674	2.9
494.89603	3.0
510.35522	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	510.3641
Annotation	Chrysosporide
Peak:m/z	Relative Intensity
53.03931	0.7
55.05518	2.1
56.05042	6.6
57.03440	2.2
58.06594	2.6
59.03736	0.5
61.02933	1.3
67.05514	2.8
69.03436	8.0
69.07078	2.8
70.06596	6.4
70.31511	2.4
72.04540	1.2
72.94543	0.5
73.02928	1.4
74.06085	100.0
79.05489	1.6
81.03425	1.8
81.07064	2.7
83.08620	0.7
85.02911	14.1
86.06065	1.1
87.04493	1.4
88.07642	4.0
91.05488	1.2
93.07054	0.8
94.06599	0.6
94.83028	0.6
95.08606	3.3
96.08105	0.7
97.02895	4.1
99.04444	1.4
100.07645	0.8
107.08668	0.6
109.02895	2.2
109.10197	1.1
116.07090	0.8
127.03965	3.6
145.04967	0.8
175.99226	0.6
220.88336	0.5
238.12891	0.7
266.28665	0.7
268.26437	1.1
276.26874	1.3
282.27927	1.6
294.27939	5.8
307.67822	0.6
312.28949	6.6
330.30023	15.3
331.30597	1.0
348.31110	48.1
375.41852	0.6
390.32492	0.6
492.35510	5.0
510.36432	91.3
511.36841	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.0
56.68963	1.3
57.06819	1.6
57.07080	27.7
57.69079	1.3
59.89708	1.1
63.63644	1.2
63.97525	1.4
66.29435	1.3
67.05505	1.8
69.07061	5.8
69.37939	4.6
69.38360	6.5
71.08275	2.2
71.08637	31.3
73.06554	4.0
79.05527	1.9
81.07063	3.1
83.08621	3.0
85.10191	21.0
87.04451	4.2
89.06036	100.0
93.07059	1.9
95.08628	3.2
97.10163	5.3
97.78830	1.2
99.11726	1.4
107.07071	3.4
107.08571	1.9
111.11694	1.6
117.09200	2.2
119.08596	1.1
121.71948	1.1
130.08676	2.1
133.07617	2.8
133.08617	49.9
133.10133	2.5
177.11226	19.2
195.12276	2.2
221.13852	1.9
239.14938	2.8
283.17529	15.8
299.26178	1.6
299.29443	5.4
343.32077	2.9
405.35687	1.5
409.22202	1.4
438.55548	1.6
462.74966	1.7
493.41016	14.0
533.34363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.03456	0.5
59.00273	0.3
65.03944	0.5
68.05036	0.6
69.03433	0.8
69.43717	1.4
69.44143	1.5
70.06577	0.8
80.77276	0.4
81.03480	2.2
81.04545	27.5
81.07021	0.4
83.06094	1.1
85.02892	1.0
86.09693	0.4
89.03922	0.5
91.04958	0.5
91.05491	8.0
95.06097	16.6
97.02876	0.4
107.06094	0.5
109.02870	0.8
110.07188	0.5
119.04083	0.7
119.04949	13.8
125.07124	25.5
132.02069	0.4
143.08168	100.0
147.04419	10.3
157.04021	1.1
175.03915	19.0
176.04309	0.6
179.07077	1.0
192.04094	0.4
207.06548	34.6
208.06950	0.5
305.13440	4.1
309.07703	0.5
337.07071	0.9
349.13889	1.6
351.10770	1.5
369.11981	2.1
511.13773	0.8
511.19461	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.0
55.01855	10.5
55.05499	40.3
56.20313	8.4
57.03431	16.9
61.02926	45.4
67.05514	68.2
69.03426	34.2
69.07072	19.3
71.04961	13.1
71.59681	12.4
73.02918	20.0
75.32226	9.1
79.05500	62.0
81.03404	31.7
81.07072	61.0
83.04983	26.2
83.08619	9.2
85.02919	49.9
91.03950	25.6
91.05481	67.8
93.07052	70.3
95.04961	10.7
95.08595	49.1
97.02908	44.5
97.10173	12.4
105.07034	67.4
107.04929	15.6
107.08594	52.4
109.10145	25.6
117.07025	23.5
119.08553	53.6
121.10138	35.2
125.09593	9.9
127.03890	22.5
127.43981	9.2
129.15440	9.0
131.08533	26.5
133.10114	42.2
135.08076	15.4
145.10135	26.3
147.11662	37.4
149.02391	10.6
149.09625	37.2
157.10115	15.2
159.11742	19.1
169.12178	10.3
171.11804	13.2
173.13306	18.7
185.13255	11.8
187.86810	8.7
193.04959	14.1
229.19450	10.7
275.20032	100.0
349.23679	51.4
511.28708	38.8
511.35580	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	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48738	3.3
55.05503	12.8
56.96563	4.6
57.03441	13.7
61.02943	20.7
64.41132	3.2
67.05508	22.2
69.03423	12.1
69.07054	10.5
70.11614	7.7
70.12007	9.5
73.02922	8.3
79.05498	24.7
81.03415	13.3
81.07059	26.5
83.04988	7.5
83.08605	4.9
85.02917	19.0
85.06526	5.6
91.04015	8.1
91.05497	26.6
93.07071	26.5
95.04978	8.6
95.08601	18.6
97.02901	10.6
97.06564	4.8
99.04454	7.6
105.07056	28.1
107.04946	4.7
107.08595	17.2
109.06499	4.0
109.10165	7.3
111.08096	5.6
115.05444	3.4
117.07002	10.8
119.08585	23.8
121.06487	5.8
121.10148	10.8
123.08120	6.9
127.03909	5.6
129.07031	4.7
131.08594	16.4
133.10114	14.9
135.08081	3.6
135.11710	8.9
136.06200	4.8
145.10138	13.1
147.11688	8.9
157.66791	3.7
159.11705	4.6
185.13327	8.2
201.16478	6.9
219.17462	100.0
232.08339	3.9
275.20148	21.4
349.23657	16.0
494.41257	3.9
511.28876	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	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64661	3.6
52.00494	3.7
53.03949	6.2
53.35917	3.8
55.01867	14.3
55.05520	20.9
55.59050	3.7
57.03436	13.6
61.02925	29.7
64.75225	3.7
67.05517	49.8
69.03426	23.1
69.07080	30.8
71.04960	7.4
71.43343	7.0
73.02911	9.7
79.05504	34.3
81.03412	31.1
81.07061	59.9
83.04999	6.6
83.08631	8.3
85.02900	35.5
87.04490	4.3
91.03961	11.5
91.05484	56.8
93.07051	37.7
95.01363	5.4
95.04970	11.3
95.08623	28.8
97.02906	31.5
97.06537	17.5
99.04458	9.9
101.02388	5.8
102.53560	3.6
103.05460	4.6
105.07033	79.0
107.04948	14.0
107.08582	24.5
109.02894	9.7
109.06509	8.3
109.10165	15.0
111.08112	3.7
117.07032	16.5
119.08594	54.7
121.06503	7.8
121.10146	18.4
123.11700	5.2
125.09631	4.2
127.03900	14.6
131.08583	26.1
133.10133	46.7
135.08055	4.7
135.11765	6.8
143.08617	5.8
145.10161	26.5
147.11708	21.1
149.09659	11.3
149.13266	6.0
151.66040	4.5
157.10144	7.9
159.11694	19.2
161.09732	4.9
161.13242	9.3
163.11215	5.6
171.11720	7.9
173.13310	7.9
179.14305	13.0
187.11157	5.0
239.17914	7.5
257.19086	12.4
275.20087	100.0
277.42099	4.6
315.62592	5.4
349.23706	39.1
351.43912	4.0
368.72012	4.7
493.27444	6.1
511.28531	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	511.3274
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
51.18270	1.3
53.03939	3.7
55.05514	10.5
57.03423	2.1
57.07069	3.6
65.03934	2.9
67.05215	1.8
67.05509	19.1
69.03420	6.8
69.07069	16.3
70.06580	3.6
70.57021	5.1
71.04984	6.9
73.06557	1.5
74.06069	2.8
79.05501	14.3
81.03423	9.1
81.07063	57.6
83.01306	3.0
83.04981	4.6
83.08606	6.8
85.02893	5.1
85.06532	2.5
89.03957	2.3
91.05479	10.8
93.07052	19.8
95.01316	5.0
95.04994	3.0
95.08618	29.2
97.02895	3.1
97.06523	4.5
97.10216	1.8
98.97598	3.0
99.00817	18.5
99.04450	9.7
99.08112	1.5
101.17857	1.5
104.26869	1.7
105.07049	11.0
107.04935	4.2
107.08600	20.9
109.02885	12.0
109.06529	4.3
109.09441	2.3
109.10157	31.7
111.04465	2.0
111.08086	1.8
113.02370	4.8
113.09629	1.6
117.03407	4.0
117.06976	2.5
119.04962	2.2
119.08593	9.3
121.06512	1.9
121.10153	11.4
123.04446	2.3
123.10903	2.6
123.11716	25.8
127.03900	4.9
127.11160	2.4
131.08540	4.5
133.06450	3.0
133.10130	7.6
135.04460	2.9
135.08124	2.2
135.11711	9.6
137.05968	6.3
137.09625	2.0
137.13242	6.4
138.09335	1.6
139.07507	4.5
145.02843	8.7
145.10132	4.0
146.55608	1.9
147.04384	4.1
147.07971	2.4
147.11642	4.5
147.51828	1.6
149.02339	2.7
149.05981	6.1
149.09586	2.6
149.13271	3.1
151.03885	2.4
151.07501	5.9
153.05486	6.5
153.12741	3.8
155.07037	4.5
157.10092	2.7
159.11720	2.0
161.05956	3.0
161.09641	1.9
161.13287	1.8
163.03873	4.1
163.07542	4.8
165.09148	4.5
167.07053	3.7
171.08017	3.0
175.07530	5.0
175.14900	2.1
177.05492	20.2
177.09070	3.7
179.07069	2.3
179.10681	2.2
181.04971	21.6
183.06514	7.4
189.09125	20.9
191.07016	5.1
195.06548	66.5
201.09131	1.7
203.10692	7.1
203.17877	3.8
205.08629	2.7
207.06493	5.6
209.08118	20.9
217.12331	2.1
221.08092	6.1
223.09665	42.4
231.13890	1.8
235.09590	5.3
237.11221	23.1
239.09065	3.3
249.11282	14.7
251.12778	7.3
259.16913	2.0
261.11151	4.7
263.12766	7.9
275.12729	3.0
277.14542	2.3
289.14154	3.0
291.15881	5.0
293.17480	4.3
303.15918	6.3
305.17554	21.4
307.19012	4.3
315.16241	1.7
317.17444	10.2
333.17044	3.6
335.05569	3.3
349.07114	2.2
367.08133	7.0
383.22101	1.9
385.23624	2.2
387.25278	4.6
403.24582	9.9
421.26297	1.7
439.28885	8.1
457.29514	36.4
475.30582	100.0
476.30847	3.9
493.31619	54.1
494.32370	1.8
509.79028	1.8
511.13220	9.1
511.20731	4.0
511.26331	2.7
511.32648	52.2
512.32770	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	512.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09192	0.8
53.03944	2.3
55.01905	0.9
60.04535	1.0
62.77666	0.8
69.03426	4.0
69.62714	4.3
69.63122	1.2
70.06592	4.3
72.08151	1.6
78.03461	3.1
78.04710	1.8
79.05507	2.0
81.03429	3.6
81.07072	1.1
82.06594	1.1
84.04505	1.1
84.08153	2.3
85.02909	2.9
89.03915	1.7
91.05488	6.1
93.07040	5.1
93.47608	0.9
95.04959	2.6
96.04470	1.6
97.02901	3.1
97.06518	0.9
99.04497	1.5
103.05477	6.6
105.07076	1.2
106.02913	11.4
106.04192	1.9
107.04939	5.6
107.08633	2.3
108.29174	0.8
109.02885	3.8
109.06483	1.0
110.07147	1.0
117.03419	2.1
118.08704	1.0
119.04954	2.3
120.05693	0.9
121.06525	12.3
123.04440	3.7
124.03963	34.2
124.05283	1.4
125.07137	1.6
126.05531	4.7
127.03925	3.0
131.04927	7.5
133.02863	1.5
134.03667	1.5
135.04445	1.7
135.11707	7.8
137.06000	10.1
140.04672	2.9
143.08113	1.9
144.08463	1.2
145.02847	3.3
147.04434	3.4
148.05183	2.0
149.05980	18.0
151.03902	1.1
152.04694	0.9
153.05492	1.1
154.05003	7.3
155.07045	2.4
159.04433	5.2
163.03928	4.2
163.07599	0.9
165.05435	1.5
167.07056	100.0
174.05669	1.3
176.04691	1.8
177.05479	39.8
181.04895	1.5
181.08601	2.0
182.06053	0.9
191.07024	2.7
194.05728	1.4
197.08113	1.4
207.06483	1.6
208.06779	0.9
209.08104	30.5
219.01854	1.3
227.09152	45.1
228.09515	1.4
232.05936	1.1
235.72617	1.0
239.47748	1.0
250.07123	6.2
268.08179	25.8
268.11041	1.5
280.08331	1.6
292.09772	2.3
295.50351	0.8
303.08829	1.1
304.94412	0.9
320.09293	1.4
329.62036	0.9
334.08200	0.9
355.59537	0.9
421.54492	0.9
464.15494	6.0
485.96738	0.9
494.16672	2.1
512.14716	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	512.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09192	0.8
53.03944	2.3
55.01905	0.9
60.04535	1.0
62.77666	0.8
69.03426	4.0
69.62714	4.3
69.63122	1.2
70.06592	4.3
72.08151	1.6
78.03461	3.1
78.04710	1.8
79.05507	2.0
81.03429	3.6
81.07072	1.1
82.06594	1.1
84.04505	1.1
84.08153	2.3
85.02909	2.9
89.03915	1.7
91.05488	6.1
93.07040	5.1
93.47608	0.9
95.04959	2.6
96.04470	1.6
97.02901	3.1
97.06518	0.9
99.04497	1.5
103.05477	6.6
105.07076	1.2
106.02913	11.4
106.04192	1.9
107.04939	5.6
107.08633	2.3
108.29174	0.8
109.02885	3.8
109.06483	1.0
110.07147	1.0
117.03419	2.1
118.08704	1.0
119.04954	2.3
120.05693	0.9
121.06525	12.3
123.04440	3.7
124.03963	34.2
124.05283	1.4
125.07137	1.6
126.05531	4.7
127.03925	3.0
131.04927	7.5
133.02863	1.5
134.03667	1.5
135.04445	1.7
135.11707	7.8
137.06000	10.1
140.04672	2.9
143.08113	1.9
144.08463	1.2
145.02847	3.3
147.04434	3.4
148.05183	2.0
149.05980	18.0
151.03902	1.1
152.04694	0.9
153.05492	1.1
154.05003	7.3
155.07045	2.4
159.04433	5.2
163.03928	4.2
163.07599	0.9
165.05435	1.5
167.07056	100.0
174.05669	1.3
176.04691	1.8
177.05479	39.8
181.04895	1.5
181.08601	2.0
182.06053	0.9
191.07024	2.7
194.05728	1.4
197.08113	1.4
207.06483	1.6
208.06779	0.9
209.08104	30.5
219.01854	1.3
227.09152	45.1
228.09515	1.4
232.05936	1.1
235.72617	1.0
239.47748	1.0
250.07123	6.2
268.08179	25.8
268.11041	1.5
280.08331	1.6
292.09772	2.3
295.50351	0.8
303.08829	1.1
304.94412	0.9
320.09293	1.4
329.62036	0.9
334.08200	0.9
355.59537	0.9
421.54492	0.9
464.15494	6.0
485.96738	0.9
494.16672	2.1
512.14716	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	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01873	3.6
55.05509	6.2
56.05032	3.7
56.33929	2.1
57.03439	5.0
58.06601	2.3
58.99590	2.3
61.02915	3.9
65.03927	2.2
67.05507	12.5
69.03429	10.1
69.07083	10.2
70.06589	9.3
71.04988	5.5
71.59654	2.5
71.60082	2.6
72.74259	2.1
73.02885	2.4
73.75683	2.0
74.06081	49.0
79.05502	19.2
81.03414	12.9
81.07059	26.1
83.04997	10.2
84.04514	3.8
85.02910	51.9
87.04479	2.0
88.02209	3.2
88.03993	3.6
91.03959	3.0
91.05476	26.6
93.07050	75.4
94.06529	2.0
95.04965	6.6
95.08606	21.2
97.02888	16.3
97.06544	7.7
97.10132	2.1
98.97586	5.0
99.04449	5.7
103.39270	2.6
105.07024	10.6
107.04909	2.3
107.08600	100.0
109.02907	7.5
109.06528	6.8
109.10186	15.1
111.02699	2.2
115.49094	2.2
119.04977	3.3
119.08578	10.0
121.10152	9.7
122.02727	8.7
123.08096	3.9
123.11719	21.4
124.04019	3.0
125.06035	2.1
125.09627	2.3
125.62045	2.0
127.03937	17.7
131.00163	2.3
131.08615	2.5
132.05716	2.3
133.10114	2.2
135.08041	5.6
135.11699	83.4
137.09602	4.6
145.02808	3.3
145.04930	20.8
146.06055	2.1
147.04431	3.2
149.09657	2.8
151.03954	2.1
151.11154	3.4
153.12775	20.6
163.06017	8.8
165.03830	2.0
177.05458	6.2
183.78119	2.4
193.03194	9.5
207.06517	3.7
237.05789	4.6
296.25818	3.4
301.21707	4.0
307.22763	2.5
319.22626	2.9
332.27972	4.9
335.21384	2.1
337.23691	2.8
338.07297	3.8
339.09750	2.8
340.09192	2.3
350.29025	15.6
353.06000	2.6
369.20984	4.8
371.12381	2.5
380.30032	3.9
410.02444	2.1
422.23199	3.0
428.24796	2.2
440.24722	7.7
458.25854	8.6
476.26581	10.4
494.20795	2.0
494.27667	12.4
512.20789	2.5
512.28491	7.2
512.34772	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78935	2.1
53.03931	6.5
55.05503	7.2
56.05042	2.9
57.03444	3.6
61.02922	6.3
65.03943	3.1
66.38676	2.4
67.05501	7.9
69.03436	15.0
69.07071	4.9
70.06580	9.8
71.04991	4.6
71.59990	3.7
72.08149	9.4
73.02914	3.6
74.06081	16.2
79.05486	15.1
81.03415	9.4
81.07047	13.0
83.04996	3.0
83.08639	3.1
84.08129	6.5
85.02901	45.0
86.09713	3.3
87.04440	2.7
91.03954	3.0
91.05479	18.2
93.07045	70.5
95.04973	5.5
95.08608	20.9
97.02914	12.4
97.06525	3.3
98.97558	5.1
105.07029	9.3
107.04972	2.6
107.08596	100.0
109.02851	7.0
109.06490	3.8
109.10161	5.6
117.03400	2.6
119.04951	3.0
119.08576	5.6
121.10131	5.4
123.11694	7.1
127.03940	10.1
130.06566	2.7
131.04939	2.4
133.01289	2.3
133.10162	3.0
135.10661	4.8
135.11697	83.4
143.08478	2.7
145.02840	2.5
145.04955	19.2
147.04451	3.0
153.12735	22.3
163.06017	7.4
167.07060	3.3
177.05542	4.5
193.03281	3.1
207.06543	4.7
292.09814	2.5
310.07742	2.6
311.10187	2.6
324.95474	2.2
332.13852	2.3
336.01620	2.6
338.07297	5.1
339.09494	3.4
350.25256	6.3
371.12180	3.3
512.12860	5.8
512.19922	4.7
512.29669	6.3
513.15601	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	1.2
55.05512	3.3
56.05036	5.8
56.96561	1.2
57.03437	2.6
58.06596	2.6
60.04534	1.0
61.02927	1.6
62.84949	0.7
67.05508	5.3
69.03439	9.1
69.07070	9.2
69.97240	0.7
70.06594	9.5
71.05000	2.4
71.59909	0.9
72.08148	1.0
73.02911	2.4
73.05305	0.8
74.06084	100.0
74.74285	0.8
76.48396	0.8
79.05504	4.2
81.03411	4.9
81.07051	5.6
82.06590	1.0
83.04991	3.1
83.08644	1.2
84.04514	1.1
84.08143	2.8
85.02905	18.2
85.06535	1.3
86.06075	2.1
86.09711	1.8
87.04488	1.4
88.07642	2.3
91.03990	1.0
91.05479	5.0
93.07056	8.5
94.06579	2.5
95.04977	3.2
95.08606	6.9
96.08116	1.0
97.02901	6.8
97.06540	2.5
97.10168	0.8
98.06078	0.9
98.97608	2.3
99.04472	3.7
100.13665	0.8
102.09194	1.0
103.05451	0.7
104.07096	0.7
105.07037	3.0
107.04964	1.0
107.08590	8.7
109.02855	4.0
109.06516	1.7
109.10159	2.9
110.07172	0.9
110.97600	0.8
111.11735	2.3
117.06996	0.9
119.04913	1.5
119.08559	4.2
121.02906	1.2
121.10121	3.4
122.02738	1.5
123.04450	1.0
123.08088	6.9
123.11713	2.2
127.03934	5.8
129.12761	1.9
131.08530	0.8
132.05685	0.9
133.06488	1.2
133.10153	2.1
135.11697	5.9
137.09641	2.6
145.02974	1.0
145.04988	2.8
146.06018	0.9
147.04427	2.1
149.09621	0.9
153.12843	1.0
155.08264	0.8
158.99664	0.8
161.05969	1.0
163.03951	0.9
163.06053	1.2
163.07559	1.0
165.03767	1.0
167.07083	2.1
175.03912	0.9
175.14891	2.2
177.05493	2.4
183.13795	0.9
193.03185	5.2
193.15913	7.0
207.06590	2.1
209.08238	1.0
211.16969	6.3
219.01775	1.1
219.10219	1.2
227.16505	1.7
237.05879	2.2
254.09625	0.8
260.23627	0.9
265.09705	1.1
265.81250	0.8
266.24911	1.7
278.24838	3.1
280.10208	0.7
293.09256	0.9
296.25839	5.3
296.59085	0.7
309.07385	0.9
314.26831	7.0
323.09024	1.5
329.06522	1.1
332.27963	13.3
337.07016	1.1
338.07471	2.3
339.09747	1.6
350.20157	1.2
350.29016	40.2
371.12445	2.1
380.30231	1.3
386.68094	0.8
403.09357	1.3
431.19208	0.9
494.33508	5.5
512.34412	96.0
513.19110	1.0
513.34705	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91251	0.7
51.02376	1.0
52.60042	0.6
53.03952	4.5
55.01853	1.1
55.05501	1.6
56.96572	0.7
57.03433	0.8
60.04527	1.5
63.53077	0.6
67.05491	1.9
69.03429	4.3
69.07037	1.3
70.06589	1.7
70.99831	1.5
71.04981	1.0
72.08146	0.8
74.00667	0.6
74.06073	2.0
79.05489	1.4
80.65308	0.5
81.03423	23.9
81.07043	1.8
82.87348	0.6
83.04971	1.0
84.04506	0.8
84.08126	1.1
84.64011	0.7
85.02905	2.7
86.09697	1.5
91.05471	2.5
93.07038	2.2
95.04931	1.1
95.08607	1.8
97.02904	3.5
98.97591	1.6
99.04452	2.7
100.07629	0.9
105.07006	1.4
107.04942	1.2
107.08587	1.5
109.02884	64.4
109.10112	0.7
115.05441	0.7
117.03368	0.9
117.07038	1.0
119.04942	1.4
119.08588	1.3
120.01152	0.9
120.08147	0.7
121.02863	1.8
121.06572	0.8
121.10153	0.7
127.03960	4.0
129.89728	0.6
131.08511	1.0
133.10117	1.3
135.04422	0.7
137.05991	2.4
145.02853	1.6
145.06387	0.8
145.10260	0.6
147.04407	2.0
151.03891	2.0
160.05145	0.7
161.06004	1.3
161.09555	0.9
163.03938	0.7
165.06924	0.9
167.06999	0.6
173.06090	0.8
175.03912	1.9
175.07552	2.4
177.05466	2.1
181.05072	0.7
192.05644	0.9
194.07291	0.8
201.05312	3.4
205.06538	1.8
206.07144	0.6
207.06516	2.5
207.08246	1.1
209.06020	1.0
218.05664	1.4
219.06473	1.8
219.08234	1.0
220.05215	6.7
221.05959	1.3
222.06758	3.0
233.05978	1.6
233.08099	1.0
234.06729	2.0
235.07568	16.3
237.05478	2.4
237.09103	8.2
245.04382	4.7
247.07555	1.3
248.04692	6.0
249.05458	2.2
250.06250	3.4
251.06956	0.9
252.07591	0.7
263.07050	20.1
264.07782	2.2
265.05017	6.8
265.08633	16.1
267.06589	0.6
276.04181	1.4
279.06573	1.5
280.07321	7.3
282.08963	1.5
291.06503	5.5
295.06036	0.9
295.09607	1.1
296.10281	0.6
297.11243	8.1
299.09271	1.1
307.05948	1.4
308.06729	4.0
309.07562	1.9
312.06351	0.9
313.10721	3.7
315.04944	1.0
322.08408	2.9
323.09161	100.0
324.09546	2.4
327.08783	0.8
331.08081	2.3
335.09195	1.0
340.09436	14.7
340.13547	0.7
341.10208	12.1
350.29080	1.2
351.29361	1.4
368.09485	0.8
373.14075	1.3
376.96750	0.6
431.11322	1.8
449.12375	11.0
460.32864	0.6
485.14374	1.5
512.34296	0.7
513.12817	6.5
513.27002	1.8
513.34479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
56.96561	0.6
67.05494	1.0
69.03422	1.9
69.07091	0.6
69.51244	4.4
70.06585	1.0
71.04985	0.7
79.05508	1.2
81.03422	43.9
81.07044	1.2
83.04962	0.7
91.05476	1.4
93.07050	1.6
95.04961	0.6
95.08611	0.9
97.02905	2.1
98.20742	1.1
99.04456	1.7
99.77477	0.5
105.07038	1.5
107.08605	1.5
109.02885	100.0
109.10192	0.7
115.05455	1.1
117.06959	1.1
119.04964	1.2
119.08604	1.2
121.02821	1.2
121.06547	0.7
121.10162	1.1
123.11720	0.9
124.05190	1.4
127.03957	3.1
129.05608	0.7
137.05989	2.1
144.05693	0.9
145.02914	1.2
151.03888	0.9
151.78766	0.7
158.54736	0.7
160.05203	2.7
161.06021	1.0
161.09628	0.7
163.03972	0.9
167.07062	0.8
175.04073	1.0
175.07562	6.5
177.05501	1.5
194.07309	2.8
201.05334	3.3
205.06523	4.1
218.05841	1.7
219.06543	2.7
220.05229	7.7
221.05991	1.8
222.06760	4.7
225.08957	0.6
233.06079	1.5
233.08171	2.7
234.06754	2.4
234.08951	0.6
235.07544	18.6
237.05461	1.8
237.09140	11.5
239.07086	0.7
245.04446	4.3
247.07718	1.6
248.04707	3.9
249.05508	2.7
250.06204	3.7
251.07042	1.3
252.07808	1.4
253.08469	0.9
263.07062	22.2
264.07788	2.3
265.02505	1.0
265.05020	6.8
265.08618	20.3
266.09314	1.7
267.06454	0.8
271.09744	0.8
279.06531	2.6
279.09964	1.0
280.07324	7.1
281.07919	1.2
282.08917	1.5
291.06503	7.2
293.04462	1.4
295.09720	1.9
296.10419	1.4
297.08096	0.9
297.11237	13.4
299.09219	1.2
307.06018	2.0
308.06870	4.2
309.07632	1.1
313.10687	3.1
322.08344	5.2
323.09158	90.0
324.09518	2.0
327.08682	1.5
335.09253	1.5
340.09421	28.3
341.10208	13.4
389.08725	0.9
431.11041	4.7
449.12326	18.6
450.12357	1.1
459.30820	0.8
485.14526	0.8
513.13843	6.0
513.26312	1.4
516.40387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91251	0.7
51.02376	1.0
52.60042	0.6
53.03952	4.5
55.01853	1.1
55.05501	1.6
56.96572	0.7
57.03433	0.8
60.04527	1.5
63.53077	0.6
67.05491	1.9
69.03429	4.3
69.07037	1.3
70.06589	1.7
70.99831	1.5
71.04981	1.0
72.08146	0.8
74.00667	0.6
74.06073	2.0
79.05489	1.4
80.65308	0.5
81.03423	23.9
81.07043	1.8
82.87348	0.6
83.04971	1.0
84.04506	0.8
84.08126	1.1
84.64011	0.7
85.02905	2.7
86.09697	1.5
91.05471	2.5
93.07038	2.2
95.04931	1.1
95.08607	1.8
97.02904	3.5
98.97591	1.6
99.04452	2.7
100.07629	0.9
105.07006	1.4
107.04942	1.2
107.08587	1.5
109.02884	64.4
109.10112	0.7
115.05441	0.7
117.03368	0.9
117.07038	1.0
119.04942	1.4
119.08588	1.3
120.01152	0.9
120.08147	0.7
121.02863	1.8
121.06572	0.8
121.10153	0.7
127.03960	4.0
129.89728	0.6
131.08511	1.0
133.10117	1.3
135.04422	0.7
137.05991	2.4
145.02853	1.6
145.06387	0.8
145.10260	0.6
147.04407	2.0
151.03891	2.0
160.05145	0.7
161.06004	1.3
161.09555	0.9
163.03938	0.7
165.06924	0.9
167.06999	0.6
173.06090	0.8
175.03912	1.9
175.07552	2.4
177.05466	2.1
181.05072	0.7
192.05644	0.9
194.07291	0.8
201.05312	3.4
205.06538	1.8
206.07144	0.6
207.06516	2.5
207.08246	1.1
209.06020	1.0
218.05664	1.4
219.06473	1.8
219.08234	1.0
220.05215	6.7
221.05959	1.3
222.06758	3.0
233.05978	1.6
233.08099	1.0
234.06729	2.0
235.07568	16.3
237.05478	2.4
237.09103	8.2
245.04382	4.7
247.07555	1.3
248.04692	6.0
249.05458	2.2
250.06250	3.4
251.06956	0.9
252.07591	0.7
263.07050	20.1
264.07782	2.2
265.05017	6.8
265.08633	16.1
267.06589	0.6
276.04181	1.4
279.06573	1.5
280.07321	7.3
282.08963	1.5
291.06503	5.5
295.06036	0.9
295.09607	1.1
296.10281	0.6
297.11243	8.1
299.09271	1.1
307.05948	1.4
308.06729	4.0
309.07562	1.9
312.06351	0.9
313.10721	3.7
315.04944	1.0
322.08408	2.9
323.09161	100.0
324.09546	2.4
327.08783	0.8
331.08081	2.3
335.09195	1.0
340.09436	14.7
340.13547	0.7
341.10208	12.1
350.29080	1.2
351.29361	1.4
368.09485	0.8
373.14075	1.3
376.96750	0.6
431.11322	1.8
449.12375	11.0
460.32864	0.6
485.14374	1.5
512.34296	0.7
513.12817	6.5
513.27002	1.8
513.34479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1581
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
54.28127	0.4
69.03422	0.5
70.06597	0.9
74.06079	0.9
79.05480	0.6
81.03455	0.5
81.07054	0.5
85.02905	0.7
91.05468	0.5
93.07040	0.5
95.08629	0.5
97.62644	0.4
98.97576	0.5
107.08604	0.6
109.02896	0.6
115.05840	0.4
119.04964	0.6
147.04404	0.8
157.37140	0.4
175.03943	1.0
177.05457	0.6
178.08769	0.4
205.19069	0.4
207.06537	1.4
229.46657	0.4
323.08957	0.5
334.21362	0.5
369.10303	0.5
477.27490	0.5
513.15814	100.0
514.16290	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	513.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
54.87043	0.4
55.05510	0.5
56.96571	0.6
57.03427	0.4
67.05506	0.5
69.03445	1.1
69.07078	0.5
70.02943	0.4
70.06599	2.0
71.04983	0.5
71.59443	0.4
72.08138	0.6
79.05483	0.6
81.03406	1.0
81.07076	0.5
82.06570	0.4
83.04976	0.4
84.04522	0.6
84.08164	1.1
85.02917	1.2
91.05498	1.0
93.07061	0.5
95.04993	0.5
97.02904	0.7
98.97600	0.9
107.04969	0.5
109.02885	1.5
110.07192	0.7
110.97597	0.5
111.04415	0.5
117.03422	0.5
119.04959	0.7
121.02857	0.4
127.03922	0.8
128.98599	0.4
129.10291	0.5
135.04465	0.5
136.06180	0.9
137.02373	0.9
137.05971	0.9
141.05264	1.2
145.02896	0.8
146.06068	0.8
147.04451	0.9
149.06023	0.5
150.05511	2.0
163.03961	0.9
167.07050	0.8
169.04761	0.7
177.05461	2.3
183.06375	0.6
201.36220	0.4
202.10928	0.8
205.04750	6.1
205.06650	0.5
207.06477	0.7
218.05833	0.4
235.05658	0.6
237.02859	0.7
250.08130	5.4
251.09029	1.7
264.10358	0.4
265.10812	0.4
285.09534	2.8
292.09744	0.8
293.10059	2.0
323.09131	2.3
455.15573	1.4
513.19641	100.0
514.19922	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.05522	13.7
57.03432	6.7
57.07082	2.7
61.02930	20.0
65.03969	2.1
67.05507	34.4
69.03429	8.1
69.07069	9.6
70.33942	6.1
70.34270	2.1
71.01375	2.2
71.04993	4.9
71.08641	5.0
73.02925	9.3
77.17768	2.1
79.05499	38.6
81.03419	7.8
81.07059	41.5
83.04971	3.5
83.08611	7.5
85.02910	16.1
85.06548	5.8
91.03972	10.1
91.05492	32.4
93.07056	54.2
95.04949	5.4
95.08615	28.2
97.02921	12.9
97.06570	4.3
99.08079	5.4
103.03896	2.8
105.07045	34.2
107.04935	2.7
107.08598	30.0
109.10180	12.1
111.08029	2.3
115.05459	2.0
117.07029	11.1
119.08588	35.6
121.10136	25.4
123.11700	2.7
124.00866	2.0
125.09603	2.3
127.03890	6.4
129.07022	7.9
131.08568	18.6
133.10149	30.4
135.08051	3.0
135.11702	23.1
143.08592	8.2
145.05057	2.0
145.06407	2.8
145.10138	19.7
147.04430	2.8
147.11711	24.7
149.13254	18.8
155.06894	2.4
155.08421	2.1
157.10170	7.6
159.11725	15.7
161.13261	19.6
163.11198	3.4
163.14841	7.5
165.54242	2.0
167.83876	2.0
169.10075	2.9
171.11742	10.5
173.13290	8.0
175.14839	13.9
177.12814	2.5
179.14340	13.0
185.13280	10.1
187.14807	5.0
189.12889	2.9
199.14935	4.1
203.14137	3.2
213.16423	4.0
217.15962	3.8
217.19499	2.2
231.21155	4.8
241.19557	21.0
241.38470	2.1
259.20587	46.9
275.19904	2.5
277.21649	23.5
289.21576	2.7
301.21692	3.0
332.74963	2.5
333.24301	6.0
349.10754	3.1
349.23950	3.2
351.25333	100.0
367.22617	2.8
406.64539	2.2
441.26407	6.5
459.27496	4.9
477.28635	3.4
495.29120	4.2
513.29889	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46187	3.7
55.05503	16.1
57.03432	9.7
61.02928	20.3
67.05509	37.9
69.03423	7.5
69.07071	14.2
70.25269	3.3
70.63702	9.1
70.64058	4.0
71.04971	3.8
73.02910	7.5
75.04522	5.0
79.05508	51.0
79.68136	3.3
81.03450	7.1
81.07066	42.5
83.08635	9.0
85.02921	19.4
85.06557	3.7
91.03972	8.9
91.05486	45.2
92.65362	3.6
93.07047	38.6
95.08613	28.7
97.02890	10.9
97.06518	4.7
97.10168	4.8
105.07035	46.5
107.04929	4.6
107.08582	28.4
109.06526	3.8
109.10143	11.4
117.07014	18.5
119.08589	37.1
121.10130	24.4
123.11716	4.7
127.03946	6.0
129.07048	12.5
131.08578	20.1
133.10153	25.8
135.11705	22.2
143.08560	10.7
145.10162	25.8
147.04486	7.9
147.11688	28.0
149.13271	13.1
155.08611	3.8
157.10159	11.9
159.11732	21.3
161.13309	24.8
163.14754	6.6
169.10153	7.4
171.08110	4.5
171.11670	11.8
173.13242	18.0
175.14815	12.7
177.12766	6.5
185.11780	4.0
185.13266	12.3
187.14709	5.3
199.14790	7.4
241.19524	16.9
259.20605	57.5
261.22528	4.1
271.20578	4.4
277.21738	9.7
313.21924	4.6
316.24826	4.7
351.25381	100.0
363.25610	4.0
367.22791	6.0
421.25565	11.5
429.26233	4.7
459.27936	5.7
495.29434	11.6
513.28375	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.4
55.01848	7.9
55.05509	27.6
56.96547	6.2
57.03440	41.8
61.02922	18.3
65.03932	6.8
65.56673	3.8
67.05508	76.5
69.03436	34.8
69.07069	24.6
71.01347	4.1
71.05000	26.2
71.19991	7.1
73.02931	12.5
79.05500	77.5
81.03425	28.2
81.07059	100.0
83.04989	7.8
83.08623	14.8
85.02905	36.6
85.06554	6.6
91.03965	9.3
91.05484	67.2
93.07047	91.2
95.04969	15.6
95.08609	81.1
97.02885	33.9
97.06522	13.4
97.10166	6.1
99.04449	6.9
99.08107	7.1
101.02374	13.2
103.03955	8.9
105.07031	57.9
107.06772	3.9
107.08601	54.3
109.02875	11.9
109.06517	8.2
109.10172	34.5
111.08116	5.9
117.07007	21.2
119.08579	49.8
121.06513	3.8
121.10152	51.9
123.08057	11.7
123.11700	7.7
125.09667	4.6
127.03922	15.2
129.05466	7.6
129.06972	7.0
131.04893	4.4
131.08585	37.7
133.10124	33.7
135.08057	4.5
135.11681	35.9
136.62885	3.9
137.09639	4.9
143.08580	8.4
145.05046	3.5
145.10132	24.7
147.11696	30.6
149.05911	4.3
149.13266	20.0
151.11221	5.1
155.55978	3.3
157.10167	10.5
159.11755	22.2
160.35324	4.3
161.13283	15.7
163.11154	7.1
163.14867	5.4
171.11682	14.1
173.13287	15.5
175.14842	6.1
183.06616	5.4
185.13226	8.6
187.14832	14.4
188.28137	4.2
191.14281	5.4
199.14938	7.7
200.20062	4.0
205.15958	11.1
219.17438	6.1
241.19533	15.0
259.20587	37.3
277.21622	38.5
295.22766	5.3
301.21591	3.9
317.84537	4.3
333.24161	5.9
349.16843	6.9
351.25342	58.8
367.17264	4.3
386.08890	3.6
426.52884	3.6
513.30444	8.1
513.36633	4.2
514.27936	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01865	5.5
55.05292	2.4
55.05514	25.9
56.96558	4.6
57.03167	3.8
57.03432	22.5
57.07064	10.7
61.02913	4.3
65.03935	4.2
66.64879	2.2
67.05509	89.8
69.03412	9.8
69.06777	3.0
69.07077	35.4
71.01369	22.8
71.04978	3.8
71.08633	5.9
73.02919	20.9
79.05495	35.6
81.03416	3.4
81.07063	100.0
83.01366	2.4
83.04962	6.7
83.08630	23.9
85.02418	3.0
85.02911	51.1
85.06486	2.2
85.10198	2.9
88.07613	2.3
91.03939	2.3
91.05491	25.2
93.07056	35.7
95.01315	9.9
95.04955	3.2
95.08617	78.5
97.02897	19.2
97.06526	7.4
97.10159	10.5
97.52191	2.1
98.20612	4.2
99.00809	5.8
99.04448	4.7
99.08081	4.2
101.02383	5.4
103.03966	12.1
105.07023	22.2
107.04862	2.5
107.08595	22.0
109.10167	37.1
110.27811	2.4
111.08048	5.7
113.02373	19.9
113.09630	2.3
117.05458	3.9
117.06981	4.2
119.08597	16.5
121.10159	18.3
123.11729	15.6
125.02364	2.8
125.09615	2.6
131.03413	11.1
131.08565	4.0
133.10132	17.8
135.11658	11.1
137.13208	7.2
141.01839	24.4
141.12802	3.2
143.08565	3.1
145.05042	2.5
145.10126	5.5
147.11665	9.2
149.13226	10.3
151.11230	4.4
151.14789	4.2
155.57640	2.2
159.02896	7.3
161.13249	10.9
163.14807	8.8
165.16434	3.0
169.04926	4.3
173.13420	2.4
175.14809	9.4
187.05984	2.5
187.14819	3.1
189.16415	3.7
191.17957	2.7
197.04410	3.5
215.05498	11.4
218.69554	2.2
229.46347	3.8
245.22643	20.6
256.26385	5.5
257.26767	4.4
261.22272	3.9
263.23727	28.4
269.10599	5.6
283.26245	4.4
284.26740	3.7
293.13162	4.0
305.24768	6.9
322.61856	2.4
335.25613	4.4
337.27435	49.1
367.17886	6.6
379.28342	5.3
385.18958	3.0
403.24753	2.8
459.27731	2.9
512.50342	10.5
513.29828	23.3
513.50500	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.7
53.83674	3.8
55.01867	13.6
55.05520	39.1
57.03440	30.9
57.07042	3.7
61.02932	25.7
67.05168	4.3
67.05510	73.0
69.03432	26.0
69.07072	30.8
70.17229	15.4
71.01343	5.4
71.05001	12.2
71.08620	10.0
73.02901	12.8
79.05494	67.0
81.03419	21.5
81.07060	100.0
83.04977	12.3
83.08626	24.8
85.02904	31.0
85.06548	3.9
91.03953	11.2
91.05486	56.0
93.07052	83.2
95.04970	12.5
95.08615	67.9
97.02900	37.7
97.06521	14.9
97.10167	9.4
98.21396	5.4
99.04420	5.8
99.08088	15.8
101.02403	8.1
103.03939	9.3
105.07038	42.1
107.08604	48.3
109.02857	10.1
109.06508	12.1
109.10162	32.8
111.08064	4.7
112.86501	3.9
113.09648	4.5
117.07026	12.5
119.08575	39.9
121.06511	3.5
121.10152	41.3
123.08075	5.8
123.11729	8.4
125.09610	6.7
127.03944	21.7
129.05515	6.3
129.06992	9.2
131.08595	18.6
133.10149	32.0
135.08006	4.3
135.11725	37.8
143.08545	12.1
145.04944	5.1
145.10172	21.2
147.11658	28.7
149.09650	4.7
149.13292	17.6
151.11159	7.9
157.10109	4.9
159.11681	18.0
161.13246	13.5
163.11174	10.8
165.12674	4.7
169.10172	4.2
171.11690	12.1
173.13264	12.8
175.14833	10.8
179.14334	52.4
183.11748	4.7
185.13281	5.8
187.14856	5.3
189.11055	5.5
235.17085	4.7
241.19496	8.2
259.20587	28.7
277.21692	60.2
279.71588	4.0
333.18762	6.5
333.24335	5.8
351.25357	67.8
376.16953	3.9
459.27222	6.1
513.29016	13.6
513.35767	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.0
55.05501	19.1
56.96572	10.2
57.03431	7.6
61.02926	11.4
63.24961	6.1
67.05509	41.0
69.03427	14.0
69.07049	18.4
73.02925	8.6
79.05499	41.5
81.03418	18.6
81.07074	48.8
83.08595	16.9
85.02896	24.7
91.03969	9.0
91.05476	47.2
93.07053	56.4
95.04966	12.4
95.08616	34.6
97.02874	10.4
97.10954	6.2
105.07039	46.6
107.08607	43.2
109.02843	7.8
109.06496	7.3
109.10145	18.8
119.08591	39.6
121.02827	8.1
121.06448	9.0
121.10139	32.9
129.06990	8.6
131.08575	25.1
133.10110	23.3
135.11761	18.8
143.08548	15.4
145.10100	18.8
147.04393	11.7
147.11702	22.8
149.13263	19.6
159.11702	15.8
161.13252	15.6
171.11746	10.3
173.13280	12.0
175.14781	8.6
185.13223	7.3
199.14873	9.2
209.91002	6.7
210.91754	6.6
241.19572	11.1
259.20590	35.1
277.21637	11.8
351.25317	100.0
374.28568	8.1
509.53864	8.1
513.26984	26.2
513.34009	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	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03941	4.6
55.05512	11.1
57.03426	7.1
57.07045	1.7
61.02926	10.3
65.03926	2.0
67.05509	31.4
69.03415	7.2
69.07071	9.6
70.29582	1.7
70.71545	5.8
71.04978	4.4
73.02924	3.9
79.05501	32.1
79.62263	1.8
81.03413	3.5
81.07059	43.1
83.08607	6.1
85.02916	13.7
85.06527	3.4
86.09694	2.4
91.03946	7.9
91.04965	2.1
91.05490	27.5
93.07052	40.6
95.04971	4.5
95.08131	2.0
95.08617	22.9
97.02888	10.9
97.06532	3.3
97.10191	2.5
98.97616	1.8
99.22262	1.7
105.07040	34.0
107.04989	1.9
107.08600	30.5
109.02815	2.0
109.06484	2.3
109.10155	10.5
115.03995	1.9
117.07037	10.7
119.08577	32.3
121.10146	25.6
123.08079	4.0
123.11707	3.4
127.03876	3.3
129.06989	5.8
131.08585	16.4
133.10136	21.2
135.08055	2.5
135.11688	24.3
137.13362	2.1
142.07823	3.4
143.08554	8.5
145.10141	14.6
147.08072	2.2
147.11700	25.3
149.13278	16.8
155.08528	2.4
157.10172	9.2
159.11671	11.7
161.09673	3.0
161.13248	21.6
163.11212	3.2
163.14859	4.5
169.10065	2.7
171.11655	10.4
173.13266	12.7
175.11249	3.0
175.14835	10.2
177.12657	2.8
183.11700	2.6
185.13303	10.2
187.14777	3.2
189.12628	2.9
189.16496	2.3
197.13266	2.5
199.14844	6.2
213.16476	2.3
217.19490	2.0
231.21104	5.1
238.48158	2.1
241.19522	20.9
250.06760	2.1
257.19125	2.3
259.18021	3.0
259.20605	43.4
271.20602	2.0
277.21588	11.4
299.51166	2.0
310.17688	2.3
333.24219	8.9
349.23865	4.7
351.25305	100.0
361.23721	1.9
363.24902	3.7
367.22681	3.0
375.25238	2.0
441.26141	5.7
459.27267	4.2
477.28201	5.0
495.29318	8.2
513.30237	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.7
55.01849	6.8
55.05505	15.6
61.02908	16.8
65.82273	3.8
67.05514	37.8
69.03422	14.2
69.07060	10.3
71.05000	5.1
71.41811	7.9
73.02880	7.1
75.89503	3.8
78.70559	3.8
79.05502	41.9
79.20228	4.6
81.03419	16.7
81.07068	42.1
83.04974	9.4
83.08603	9.2
85.02925	24.2
91.03941	7.8
91.05491	32.4
93.07055	49.9
95.04948	10.8
95.08610	28.7
97.02880	13.7
97.06540	5.2
98.60281	4.8
99.04465	4.6
99.08125	5.0
105.07047	42.4
107.08591	30.3
109.02852	5.1
109.10155	16.0
117.07056	8.9
119.04903	4.8
119.08594	34.8
121.02879	5.3
121.10130	23.9
127.03921	7.7
129.07019	13.2
131.08578	21.8
133.10129	36.0
135.08078	5.5
135.11714	22.2
143.05016	3.9
143.08592	12.4
145.10117	16.6
147.04393	6.5
147.11691	30.2
149.13235	17.5
155.08488	5.6
157.10149	10.3
159.11716	19.7
161.13283	20.5
163.14867	5.2
171.11667	13.2
173.13264	13.2
175.14809	12.1
183.11699	6.8
185.13304	11.9
186.07164	4.3
197.13376	5.0
199.14864	5.5
209.84076	4.8
231.21095	6.0
241.19525	18.6
259.20612	53.2
277.21552	7.1
284.95206	4.3
349.23654	5.9
351.25308	100.0
367.22574	5.7
385.23642	4.5
459.27554	7.0
477.27811	4.6
495.28952	9.4
513.31226	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	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.01880	1.6
55.05508	6.6
56.96573	2.1
57.03428	4.8
61.02920	2.4
66.29101	1.7
67.05515	11.7
67.28864	1.7
69.03419	5.3
70.01714	5.5
70.06588	7.4
71.04999	2.2
79.05499	11.6
81.03418	92.0
81.07053	8.8
83.04971	3.9
83.08624	23.3
85.02906	7.0
86.09695	3.2
91.05480	18.1
93.07042	9.7
94.59496	1.6
95.04967	27.9
95.08588	4.1
97.02898	2.6
97.06504	1.7
98.21487	1.8
100.07648	2.2
105.07026	7.8
107.04951	8.8
107.08614	3.4
108.55177	1.6
109.02865	6.9
109.06523	4.4
109.10148	4.3
111.04443	3.5
111.08067	10.5
114.85609	1.7
119.04970	1.9
119.08558	9.1
120.08111	2.3
121.06466	2.8
121.10156	6.9
125.09668	1.8
127.03916	3.2
129.07030	9.9
131.08586	9.9
133.06499	3.6
133.10118	5.4
140.07143	1.8
142.07809	2.7
145.10161	1.8
146.06006	2.2
147.04358	3.1
147.08098	2.5
147.11728	9.3
149.09607	7.0
157.10117	12.3
175.11154	16.3
177.05478	4.0
193.12239	74.0
202.24867	2.0
207.06433	3.3
211.13289	6.2
235.13373	4.3
239.11702	1.9
264.07416	3.2
267.11304	4.0
267.15942	43.9
285.16965	100.0
286.17325	1.8
309.16989	10.6
313.11948	9.9
323.09290	3.2
324.09464	6.8
327.62161	2.0
341.11102	3.3
363.17761	3.4
373.13913	25.7
393.18979	3.5
395.29333	1.8
411.20105	2.3
482.18829	3.1
514.17908	2.3
514.27466	2.2
515.19342	7.7
515.27301	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	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05511	4.8
57.03427	4.8
67.05502	9.0
69.03442	3.4
69.07082	2.6
71.11165	4.1
71.11504	4.6
79.05488	7.8
81.02972	5.5
81.03423	79.6
81.07065	4.5
83.08627	19.2
85.02892	8.1
91.05474	10.2
93.07047	5.4
95.04980	23.2
97.02885	4.4
105.07007	9.1
107.04945	5.5
108.04490	4.7
109.02908	15.2
110.03224	4.2
111.08074	10.5
119.08559	5.6
121.06477	2.9
121.10117	3.9
131.08598	5.9
133.10126	5.8
140.07080	4.7
147.04387	4.0
147.08014	3.8
147.11696	5.0
149.09612	5.1
157.10115	8.4
175.11203	10.0
193.12236	62.3
211.08537	4.2
211.13277	6.0
225.10300	4.9
239.11775	9.2
253.09731	3.9
266.08902	2.9
267.11389	14.8
267.15906	45.2
281.89761	2.7
285.16983	68.4
295.10535	6.5
295.59473	2.8
298.11874	2.9
309.16989	10.1
313.11853	37.1
323.09286	7.4
324.09406	17.0
341.11371	20.7
342.10678	3.3
373.13953	100.0
411.20047	2.8
429.21078	5.1
482.19247	3.3
514.22375	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	515.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92056	0.6
57.03457	0.6
63.69509	0.6
67.05523	1.3
69.03429	0.8
69.07074	0.8
70.98039	0.8
70.98385	1.2
79.05534	0.8
81.03469	1.4
81.07081	1.2
85.02915	1.0
89.03961	1.5
91.05492	3.8
93.07113	0.9
95.04984	0.9
95.08643	0.8
105.07072	1.7
107.08620	1.1
109.02948	1.9
117.03409	4.7
119.05000	0.7
127.04008	1.7
131.05011	0.7
133.10228	0.7
145.02855	11.8
147.04460	2.1
149.06023	1.5
157.10136	0.7
157.99864	1.8
159.00555	16.7
159.01773	1.1
159.08121	0.6
167.03226	0.7
177.05495	23.2
177.07065	1.2
185.04254	1.4
195.01376	1.0
201.01729	1.2
210.32355	0.7
227.05258	3.0
267.06326	1.8
271.04425	2.4
297.57083	0.7
303.08701	1.8
321.05872	6.0
363.06921	20.8
389.04688	1.4
407.05896	100.0
408.06186	2.2
420.29251	0.8
425.12381	1.1
429.11798	0.8
471.12601	4.7
479.13147	1.5
497.15628	0.9
499.23633	0.7
515.11572	41.5
516.12311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.69477	0.6
55.05484	1.3
56.96564	0.7
63.02379	0.7
67.01857	2.4
67.05511	1.4
69.03424	1.8
69.07056	1.5
69.57195	4.4
71.05019	0.7
71.55914	0.7
78.04742	0.7
78.89521	0.6
79.05496	1.1
81.03422	3.5
81.07048	2.1
83.04951	1.1
85.02903	2.3
89.03938	6.8
91.05496	4.9
93.07051	1.6
95.05001	0.9
95.08603	1.3
97.02907	1.1
97.06546	0.9
99.04485	1.0
104.81482	0.6
105.07021	1.6
107.08589	1.4
109.02899	5.6
109.06540	0.9
109.10122	0.7
117.03391	24.0
117.04228	1.2
119.04986	0.9
121.10155	1.1
127.03918	5.0
131.08510	0.7
134.03638	1.6
134.47539	0.6
135.04420	1.6
137.05995	0.6
145.02859	53.7
147.04416	2.7
149.05977	8.3
149.09645	0.9
163.03899	1.5
167.10730	0.8
176.00819	9.8
177.05484	100.0
185.04323	1.0
186.05521	1.4
198.09169	0.9
207.06555	1.1
213.05673	0.6
227.05348	2.2
267.06339	5.7
271.04221	6.8
282.54355	0.7
285.07639	0.9
303.08633	8.1
313.07077	0.6
322.14594	1.0
363.06860	4.0
395.11545	1.0
407.05560	0.7
424.06393	1.2
427.13629	2.3
429.11774	6.4
453.11618	0.8
471.12680	16.9
471.30942	0.7
479.13651	0.8
488.90744	0.7
515.11639	56.5
516.12134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
53.03947	0.6
56.80736	0.2
63.02381	0.6
65.13927	0.2
67.01871	1.7
67.05521	0.7
69.03432	0.6
69.29902	0.3
71.05005	0.6
71.61219	0.3
79.05486	0.5
81.03424	2.3
81.07076	0.7
83.04971	0.2
85.02907	0.8
89.03920	7.1
91.05487	1.1
92.56599	0.3
93.07046	0.8
95.04986	0.4
95.08600	0.4
97.02913	0.7
97.06563	0.3
99.04474	0.6
102.97851	0.3
103.05479	0.4
105.07042	0.5
106.04223	0.5
107.08629	0.6
109.02888	5.6
109.06535	0.3
117.03390	19.8
119.04976	0.7
119.08573	0.5
121.06512	0.5
121.10162	0.3
127.03928	4.7
133.10159	0.5
134.03690	1.3
135.04434	1.1
137.05968	0.3
137.09639	0.3
145.02859	47.6
145.10117	0.5
146.03255	0.3
147.04462	1.2
149.05989	6.2
162.03183	0.3
163.03900	0.8
167.07008	0.4
175.03912	0.3
177.05481	100.0
178.05862	0.8
186.05525	0.9
207.06543	0.6
243.06627	0.5
258.98151	0.2
285.07626	1.3
296.26572	0.2
303.08667	8.3
384.01065	0.3
425.12112	0.3
471.18127	0.3
479.13409	0.5
515.22412	0.3
515.28351	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	515.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.74661	0.2
54.76157	0.2
57.73993	0.1
63.02387	0.6
67.01870	1.6
70.02605	0.6
71.04995	0.2
78.04720	0.2
79.05519	0.2
79.71889	0.2
81.03432	1.5
81.07047	0.3
85.02907	0.3
89.03920	6.7
89.91574	0.2
91.05474	0.4
95.04977	0.3
98.20785	0.2
99.04443	0.6
103.05492	0.4
105.07023	0.2
106.04169	0.4
109.02883	4.5
117.03383	20.7
118.03734	0.2
119.04932	0.3
121.06564	0.2
124.05214	0.2
127.03915	4.2
133.10164	0.2
134.03644	1.5
135.04408	0.9
140.83722	0.2
145.02850	49.1
146.03186	0.7
147.04410	0.3
149.05980	6.6
158.06001	0.4
162.03188	0.2
163.03900	0.5
172.85146	0.2
176.00819	0.4
177.05472	100.0
178.05835	1.1
184.39749	0.2
186.05464	1.0
187.07532	0.2
195.06494	0.2
215.06963	0.2
243.06483	0.7
256.57956	0.2
259.09622	0.2
266.03476	0.2
267.06281	0.2
285.07568	1.3
303.08627	7.7
306.70386	0.2
345.47119	0.2
348.31848	0.2
363.06601	0.2
471.12219	0.6
515.11261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30164	0.2
50.41230	0.2
53.03947	0.4
54.23359	0.2
55.01883	0.5
55.05511	0.2
56.96572	0.3
57.03442	0.2
63.02386	0.5
67.01875	2.2
67.02751	0.2
67.05505	0.5
69.03445	0.7
69.07067	0.6
70.06594	0.5
71.04996	0.8
71.60229	0.3
73.36091	0.2
78.04718	0.5
79.05501	0.5
81.03428	2.4
81.07066	0.7
83.04967	0.3
84.08172	0.4
85.02930	1.0
86.09723	0.3
89.03922	7.8
91.05481	1.1
93.07055	1.1
94.48087	0.2
95.04973	0.5
95.08611	0.5
97.02922	0.6
97.06552	0.4
99.04456	0.5
103.05476	0.4
104.21865	0.2
105.07041	0.6
106.04151	0.3
107.04946	0.3
107.08604	0.7
109.02889	5.5
109.06519	0.3
109.10173	0.8
111.04469	0.4
115.05437	0.2
117.03386	19.4
117.07036	0.3
119.04958	1.1
119.08585	0.7
120.08099	0.3
121.02950	0.2
121.06517	0.4
121.10150	0.5
125.06042	0.3
127.03938	4.4
131.08577	0.4
133.10165	0.3
134.03633	1.6
135.04457	1.1
135.08119	0.3
137.06027	0.5
137.09500	0.3
145.02855	49.0
145.10139	0.4
146.03192	0.6
147.04401	1.4
147.08083	0.3
147.11678	0.2
147.17012	0.2
149.05981	6.1
149.09636	0.2
151.04102	0.2
162.03122	0.3
163.03931	0.7
163.11198	0.2
167.06975	0.3
175.03874	0.3
175.11177	0.2
177.05478	100.0
178.05814	1.3
179.03339	0.3
181.05026	0.3
181.08910	0.2
186.05566	1.0
191.07034	0.3
191.10762	0.4
195.06540	0.3
197.21581	0.2
207.06549	0.6
215.06998	0.4
231.14015	0.2
243.06612	0.6
257.08185	0.3
281.37198	0.2
285.07529	1.5
303.08652	8.1
395.11057	0.3
425.11966	0.3
449.12033	0.4
457.23828	0.5
479.13312	0.6
515.16064	0.6
515.28644	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	515.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.02154	0.8
57.58009	0.7
61.57185	0.5
61.89715	0.6
63.02382	0.7
65.00385	0.6
67.05490	1.1
69.03433	1.0
69.07052	0.8
70.47694	2.4
79.05500	1.7
79.63502	0.7
81.03424	1.6
81.07044	2.4
83.21074	0.8
85.02889	1.2
89.03921	8.3
91.05473	3.1
93.07030	2.0
95.05000	1.2
95.08611	1.5
98.97576	1.1
105.07032	1.3
107.04985	0.8
107.08596	1.8
109.10157	1.0
117.03379	23.0
119.08597	0.9
120.77978	0.6
121.10112	1.6
129.06953	0.9
131.04863	0.8
131.08543	0.8
134.03630	2.1
135.04414	1.8
135.11655	0.9
137.05942	1.6
145.02852	52.0
146.05995	0.9
147.04419	3.2
149.06003	9.6
151.03951	0.8
158.06041	1.3
177.05475	100.0
179.69392	0.6
186.05547	2.0
189.09056	0.7
198.09146	2.1
226.85136	0.8
261.66769	0.8
287.39966	0.7
307.11734	0.8
322.14441	10.4
337.12256	0.8
339.17050	4.0
351.25085	0.9
352.25760	0.9
363.38876	1.0
391.16559	2.3
482.24811	0.8
498.18839	1.0
515.21246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35772	0.4
55.05501	1.1
55.88052	0.3
67.05499	1.4
69.03436	0.4
69.07060	1.5
70.17397	1.3
70.17805	0.6
71.01355	0.6
73.02917	0.5
79.05505	1.5
81.07069	2.4
83.08602	0.7
85.02910	1.1
86.09708	1.5
91.05455	0.5
93.07051	2.0
95.08629	1.8
97.06557	0.4
97.10155	0.7
98.20856	0.4
105.07010	0.9
107.08582	1.2
109.10138	0.7
113.02371	0.6
119.08600	0.5
121.10166	0.5
131.08562	0.6
133.10077	0.4
135.11708	1.0
145.10220	0.5
157.10139	0.4
183.11604	0.4
215.13957	0.4
224.08116	0.4
339.29028	1.2
419.74936	0.5
515.31897	100.0
516.32330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.05518	18.3
57.00837	2.1
57.03434	8.0
57.07075	3.5
61.02914	6.8
65.03932	3.8
67.05167	5.0
67.05509	84.6
69.03437	5.3
69.07075	20.6
69.31378	11.1
69.31808	10.9
71.04996	4.1
77.40038	2.3
79.05495	58.7
81.03408	4.2
81.07061	100.0
81.35326	2.8
83.08622	7.6
85.02898	6.5
88.74268	2.4
91.05490	31.3
91.06017	4.0
93.07054	62.9
95.04975	8.0
95.08038	4.9
95.08613	75.0
97.02876	8.6
97.06499	4.7
97.10157	3.2
105.07037	27.1
107.04940	3.9
107.08602	32.7
109.06510	7.5
109.10164	35.9
111.08035	3.1
117.07027	14.6
119.08589	20.0
121.06445	3.5
121.10152	37.1
123.08018	3.2
123.11729	15.5
129.06975	4.8
131.08588	19.6
132.52036	2.3
133.10164	18.7
134.89093	2.4
135.08112	3.8
135.11693	30.2
137.05878	2.2
137.09596	3.9
137.13249	6.6
139.71301	2.9
142.07805	2.2
143.08603	3.1
145.06470	3.0
145.10167	19.2
147.11696	18.3
149.09637	3.8
149.13261	20.2
151.11186	3.0
151.14734	2.6
157.10179	4.1
159.11703	15.5
161.13263	9.1
163.14856	13.6
169.82292	2.4
171.11763	2.8
173.13298	16.4
175.11224	2.5
175.14816	4.0
177.16451	7.2
179.14383	2.8
187.14809	8.0
210.29414	2.3
243.21130	19.8
261.22162	69.9
279.23206	3.1
293.85797	2.7
301.21616	3.6
335.25815	21.7
345.24222	5.8
353.26889	16.2
497.30685	6.1
515.46558	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01863	4.8
55.05511	19.3
56.13503	3.6
57.03442	3.7
57.07056	4.6
61.02891	3.2
67.05171	4.7
67.05508	82.9
69.03419	10.2
69.07071	21.2
70.38068	13.0
76.54308	3.4
79.05498	54.0
81.03400	9.5
81.07059	100.0
83.04952	5.4
83.08598	7.8
85.02901	7.5
88.71659	4.0
91.04966	3.7
91.05489	40.8
93.07052	69.6
95.04961	8.8
95.08047	4.8
95.08616	67.4
97.02866	3.9
97.06543	5.3
99.04441	3.4
99.08126	4.9
105.07034	31.6
107.08603	42.6
109.06493	5.2
109.10171	36.5
111.11647	3.3
111.31232	3.2
117.07018	14.2
119.08599	23.2
121.10153	39.7
123.08082	6.6
123.11716	18.6
129.07034	5.9
131.08582	29.1
133.10149	23.3
135.11713	30.0
137.13202	7.9
143.08537	5.3
145.10103	23.4
147.11687	14.0
148.55255	3.4
149.13240	23.8
155.33392	3.2
157.10274	4.6
159.11678	22.8
161.13229	11.2
163.14780	10.0
171.11624	6.1
173.13289	18.3
175.14807	7.0
177.16438	4.6
187.14856	7.9
199.14767	3.1
201.16362	3.5
210.11256	3.4
243.21132	28.0
261.22159	73.5
335.25754	9.6
353.26749	14.5
369.24274	3.9
405.25897	4.7
509.09097	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07734	5.9
51.30898	5.3
53.03965	7.6
55.05510	23.3
57.03436	13.3
57.60407	5.0
61.02916	9.2
66.98591	5.3
67.05508	97.8
69.03433	12.6
69.07069	21.5
71.04964	9.8
71.21564	13.1
73.02901	5.8
79.05510	54.4
81.03417	13.1
81.07066	100.0
83.04971	7.7
83.08608	8.6
83.82656	6.6
85.02932	14.1
91.05494	38.2
93.07051	63.1
95.04978	11.2
95.08612	66.7
97.02911	7.8
97.06534	7.9
99.08096	6.9
105.07040	32.6
107.08603	39.2
109.06514	15.7
109.10133	31.8
111.20801	6.2
117.07039	9.1
119.08585	27.0
119.23158	4.8
121.06567	7.0
121.10143	35.8
123.08065	7.8
123.11671	7.9
125.09622	5.1
129.07016	6.6
131.08606	28.0
133.10106	27.0
135.11700	17.4
137.13281	7.2
143.08565	8.0
145.10126	18.8
147.11723	18.2
147.93176	5.0
149.13261	13.0
157.10184	7.8
159.11726	21.8
161.13277	14.7
163.14848	6.0
169.60945	5.1
173.13329	14.3
199.14810	6.0
243.21143	20.1
261.22217	43.1
285.22296	6.7
303.23108	10.5
335.25821	6.9
345.24207	8.0
353.26871	15.2
369.24185	9.4
405.26437	5.5
419.27945	10.9
461.28198	6.4
497.30740	8.3
515.26532	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13905	6.6
53.03936	7.7
55.05524	29.8
57.03428	12.3
61.02927	10.3
63.51039	5.5
66.10040	5.6
67.05508	99.9
69.03426	19.2
69.07059	21.5
69.36677	23.0
69.37103	22.5
71.05002	8.3
79.05490	59.7
81.03404	20.0
81.06582	6.4
81.07057	100.0
83.04984	11.6
83.08611	13.8
84.08150	6.1
85.02897	15.8
85.06519	6.6
91.05470	48.4
93.07041	71.9
95.04961	14.0
95.08615	69.5
97.06525	14.3
98.20783	13.0
99.56311	5.6
105.07026	47.6
107.04997	7.8
107.08609	52.5
109.06512	7.9
109.10176	36.4
111.08032	7.2
115.03937	5.9
117.07027	26.0
119.08588	32.5
121.06560	6.7
121.10145	29.1
123.08030	10.0
123.11717	18.0
129.06995	15.5
131.08549	38.7
133.10167	34.2
135.11685	25.8
137.09511	5.7
140.23193	6.1
143.08568	14.1
145.10147	33.2
147.11670	17.6
149.13258	19.6
157.10124	10.3
159.11668	34.9
161.13234	11.9
163.14836	18.5
171.04697	5.5
173.13225	18.7
177.12939	6.2
185.13264	8.8
185.31361	5.6
187.14839	8.4
199.15036	6.7
243.21048	15.9
261.22150	54.7
301.21503	9.0
303.23279	10.3
327.22668	5.9
335.25748	9.5
345.24203	13.2
353.26761	15.9
358.16574	7.9
369.24203	8.2
387.25067	8.2
405.26599	8.6
479.30347	9.3
497.30954	10.1
507.19940	7.1
515.33765	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.05521	27.0
57.03442	4.9
65.03943	3.1
67.05511	61.1
69.07063	22.3
69.78759	14.0
71.05003	5.1
79.05493	58.6
81.03416	6.7
81.07067	46.5
83.04969	7.2
83.08600	7.7
90.65771	2.9
91.05480	34.9
93.06465	4.0
93.07053	73.9
95.04961	7.7
95.08612	31.9
96.52038	3.0
97.06547	7.0
97.10145	7.8
105.07049	25.2
107.08589	36.6
108.54824	2.9
109.10165	14.0
111.08064	3.1
117.07031	10.7
118.19077	2.8
119.08564	17.5
121.10153	19.2
123.08092	3.5
123.11696	4.8
129.07011	5.5
131.08591	18.3
133.10136	14.8
135.11707	49.4
137.09595	3.8
143.08583	5.7
145.10136	20.4
147.11699	6.7
149.13319	5.2
157.10211	5.8
159.11681	9.4
161.13210	6.6
163.11200	4.0
171.11745	6.4
173.13271	5.2
181.12253	7.0
181.20615	3.0
187.14885	5.2
199.14890	4.3
211.14818	4.6
362.41071	3.3
405.31256	3.9
423.32584	6.5
497.36273	7.6
515.37390	100.0
516.37006	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01864	4.2
55.05514	22.0
57.03434	6.3
57.07073	2.7
59.06136	2.6
64.50003	1.3
65.03947	4.6
67.05510	58.9
69.07077	18.5
69.33270	2.1
69.33672	11.8
71.01337	1.8
71.04993	3.1
79.05504	55.6
81.03439	3.6
81.07068	43.0
83.04984	11.9
83.08614	7.1
84.79769	1.3
85.06567	4.5
91.05488	35.0
93.07053	65.3
95.04978	6.5
95.08616	33.8
95.09222	1.8
97.06519	8.0
97.10180	8.6
105.07047	23.2
107.06601	1.5
107.08599	35.7
109.06534	3.1
109.10174	13.1
111.08128	3.4
115.05410	2.0
117.07038	12.8
119.08591	13.5
121.06506	1.6
121.10152	17.9
123.11706	2.4
123.76587	1.4
125.09633	2.8
129.07045	3.8
131.08589	17.6
133.10130	11.9
135.08025	1.8
135.11703	38.6
135.12688	2.7
137.09671	1.6
143.08583	6.0
145.10133	16.8
147.11711	7.9
149.13284	5.2
153.12799	4.7
157.10191	4.9
159.11667	8.7
161.13289	5.5
163.11230	5.1
163.14946	2.0
169.10114	1.9
171.11722	4.8
173.13217	7.3
181.10045	1.6
181.12236	8.7
183.11676	3.2
186.42862	1.4
187.14832	3.3
197.13338	2.0
219.17477	1.5
261.22293	4.1
405.31851	2.5
405.51645	1.5
419.94531	1.5
423.32556	6.7
441.33588	3.7
459.34860	1.7
465.09692	1.4
497.36295	4.3
515.37494	100.0
516.37732	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
53.76846	2.1
55.05515	5.4
56.05020	2.5
56.92971	2.1
57.03426	4.1
58.27962	1.9
61.02945	4.0
67.05497	7.0
68.05009	2.1
69.03436	15.9
70.06590	15.3
71.05004	2.4
71.59665	3.6
72.08144	3.0
72.76100	2.0
73.02905	4.0
79.05476	2.8
79.31758	2.3
81.03444	5.5
83.04952	2.5
83.08611	7.1
84.04518	3.6
84.08152	6.1
85.02912	24.3
86.09693	4.3
87.04478	2.6
91.05479	4.9
93.05769	2.4
94.06559	7.3
95.04953	4.1
96.08212	2.2
97.02899	11.9
98.97596	8.0
99.04462	2.2
106.06543	5.4
107.04927	3.5
108.08126	100.0
109.02871	4.9
110.06049	3.5
111.04402	5.5
118.06543	8.1
119.04952	2.5
120.08088	2.7
121.02874	3.2
122.06049	19.2
123.06809	6.5
124.07613	22.7
127.03902	7.6
130.06535	77.1
132.08107	7.5
134.06020	19.6
135.04413	3.7
135.09259	4.9
136.06203	4.1
136.07582	38.4
140.07130	3.5
144.08046	4.2
145.04999	3.0
146.06021	12.5
147.04439	3.1
148.07486	2.9
149.07098	6.7
150.05513	90.0
151.03944	3.1
152.07074	90.0
154.08644	7.5
157.07602	7.7
158.08423	4.1
159.09196	25.3
161.05951	4.6
161.07117	13.6
162.07837	5.6
162.09109	4.1
163.03944	13.6
163.08679	77.9
167.07033	2.8
168.07767	2.4
168.79478	2.3
169.07677	5.2
170.08174	2.3
175.08713	4.8
177.05476	3.9
179.08102	3.4
180.08089	4.8
181.09731	10.1
188.07118	2.5
189.06613	3.6
192.06487	2.8
201.04756	2.1
204.07927	2.6
205.08916	4.2
206.08165	4.2
206.09937	3.3
207.07764	20.6
208.09659	2.4
219.07533	2.8
220.09767	2.4
220.11734	2.4
221.10782	7.4
222.11592	7.8
223.12061	2.5
225.08817	13.1
232.09912	5.2
236.07216	2.3
237.10100	3.9
243.06796	2.2
247.12296	7.6
248.09399	4.9
249.10260	50.4
250.06242	2.3
250.10779	3.5
251.07082	3.2
251.11763	4.8
260.09579	2.2
261.10226	7.9
262.11047	5.3
263.11829	42.7
265.09680	4.8
265.13412	3.0
267.11243	9.7
273.10141	2.2
274.10999	4.0
275.11798	78.5
279.06558	4.3
279.11407	5.2
280.21408	2.3
281.12845	31.3
292.14468	53.9
293.12775	19.9
293.71088	2.1
296.06271	3.2
297.07654	3.3
310.15497	48.2
312.90765	2.3
313.11707	5.5
314.12271	15.9
316.14047	2.8
324.06030	4.4
325.07150	2.6
343.15091	10.7
354.14426	9.2
387.14029	38.7
429.16589	10.3
441.16580	5.2
442.17169	2.9
443.18195	87.6
454.19800	2.9
455.18130	26.4
472.20865	85.8
498.18591	4.6
516.19623	95.9
517.19440	3.9
528.48114	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	516.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
53.47017	2.3
54.70273	2.7
55.05511	5.4
57.03428	6.0
61.02933	4.2
65.99631	2.5
67.05509	7.8
69.03429	16.7
70.06582	22.4
70.29651	6.3
70.30042	5.3
71.05032	2.8
72.08160	3.4
73.02911	10.3
78.87721	2.8
81.03416	5.7
83.08621	8.2
84.04514	2.6
84.08136	9.5
85.02917	23.4
87.04472	4.6
91.05487	3.5
94.06560	9.4
97.02914	7.9
98.97622	5.2
99.04459	5.1
106.06528	5.4
107.04969	2.9
108.08120	88.0
109.02888	4.1
111.04491	3.4
112.07665	2.7
118.06554	6.0
119.04904	2.4
121.02817	2.4
122.06023	16.8
123.04419	3.5
123.06806	6.0
124.07600	17.8
127.03927	5.2
128.07140	5.1
130.06538	77.6
130.07486	5.5
130.59273	2.5
131.04980	2.7
132.08084	9.0
134.06003	14.0
135.04440	4.6
136.07581	31.4
140.07106	4.3
144.08066	3.9
145.02856	6.7
145.05005	2.8
146.06068	13.3
147.04465	3.7
148.06381	3.5
148.07564	7.9
149.07176	3.7
150.05513	86.9
152.05849	4.7
152.07074	88.6
154.08620	3.6
157.07658	7.3
158.08417	6.0
159.09186	22.9
160.07553	3.8
161.05963	3.4
161.07123	14.5
162.05524	4.0
162.07866	6.7
162.11330	3.4
163.03940	17.4
163.08679	69.8
164.07112	3.4
165.06833	3.1
167.07082	4.5
168.06578	4.5
169.07585	6.1
174.55518	2.5
175.08682	5.8
177.05463	4.1
180.08008	3.2
181.09746	9.9
194.09634	4.3
205.08878	6.1
206.08234	4.2
206.09930	4.3
207.07741	24.7
208.09764	5.4
219.07634	3.7
220.09993	5.1
221.10815	6.1
222.11606	6.9
225.08786	11.1
231.09703	3.0
232.10059	6.1
241.22559	3.2
248.09465	5.0
249.10226	44.7
251.11758	6.6
261.10297	7.8
262.11090	3.3
263.11783	33.5
265.09720	4.0
265.13449	4.3
267.11313	8.9
275.11783	78.9
276.12292	2.9
279.11456	7.4
280.12128	3.3
281.12958	29.7
289.79941	3.3
290.12732	3.5
292.14432	46.6
293.12823	15.9
310.15509	43.2
313.11795	3.8
314.12497	15.5
336.13715	4.5
343.15063	7.5
354.14514	9.0
387.13962	41.1
407.17493	2.8
429.16818	7.2
436.96603	3.0
443.18185	80.4
454.20062	3.4
455.18161	15.1
472.20840	80.4
498.18988	6.1
516.19702	100.0
516.31335	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	517.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.2
60.40258	0.9
67.05486	1.0
69.03423	2.6
70.77903	0.8
71.52972	1.1
71.60478	1.3
72.08161	1.7
78.86639	1.1
79.05487	1.4
83.04957	1.9
84.95997	1.5
85.02895	2.7
89.03934	7.1
95.04972	1.4
98.97582	4.4
99.00848	1.3
107.04974	2.1
110.97577	3.0
111.04426	2.4
116.98651	2.3
117.03400	6.4
123.04440	1.3
127.03960	1.5
128.98631	3.5
133.02893	1.1
135.04443	14.5
137.06067	1.1
138.05591	1.0
141.15512	1.2
145.02859	12.3
161.01241	0.9
163.03922	100.0
164.04228	1.7
167.00232	1.4
167.07108	1.7
177.05540	1.2
181.08513	1.0
182.82683	0.9
185.01273	1.4
189.00691	1.8
205.06483	1.0
210.99152	3.5
219.01643	1.2
223.07579	1.1
229.00165	8.7
233.05937	1.2
237.02928	1.2
247.01192	1.4
251.07092	3.5
269.08066	1.9
271.01276	1.4
273.06091	2.4
279.06506	4.9
297.07489	2.4
299.57687	1.0
307.01285	1.1
309.08694	1.8
311.13962	1.6
325.06992	2.1
343.08255	1.3
427.05725	1.1
457.06433	1.4
475.07690	5.6
517.13892	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97406	3.3
53.03943	3.5
55.01880	5.2
55.05513	29.8
57.03430	12.9
57.07066	4.8
61.02927	6.8
67.05175	4.5
67.05510	76.4
69.03416	11.4
69.07066	33.9
71.04977	7.2
71.08619	10.3
73.02928	4.1
79.05500	30.6
81.03419	7.4
81.07060	100.0
83.08620	25.6
85.02899	6.4
85.10182	4.4
91.05482	28.3
93.07054	40.5
95.04954	8.6
95.08604	75.9
97.02904	10.3
97.06524	8.7
97.10175	10.0
98.20738	10.4
99.07513	4.0
99.08113	7.8
105.07039	24.4
107.08614	28.8
109.06516	11.2
109.10154	36.6
113.00023	65.5
117.07023	7.3
119.08582	23.9
121.00201	3.5
121.06565	5.8
121.10168	20.6
123.08091	26.3
123.11701	19.0
125.09623	4.2
129.06995	4.2
131.08560	11.8
133.10152	18.5
135.08061	13.9
135.11705	14.0
137.13268	9.0
139.11156	4.5
145.10158	11.7
147.11665	13.6
149.09630	4.4
149.13272	10.0
151.14838	4.4
155.08571	5.3
157.10081	5.4
159.11652	9.1
161.13257	12.4
163.14803	6.2
173.13184	3.7
175.14825	14.8
177.12827	5.6
177.16466	4.5
179.14290	26.1
184.07298	4.1
187.03741	6.8
187.14830	5.4
189.16452	6.3
225.12769	4.8
245.22614	28.1
263.23709	33.0
289.21500	3.9
303.26917	4.5
322.39267	3.6
331.26340	29.6
337.27475	36.2
349.27609	5.5
360.67578	3.8
371.25525	7.9
387.28915	6.1
405.30048	44.8
463.30386	4.3
499.32651	7.5
512.58539	4.0
517.28821	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	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01876	3.8
55.05512	27.4
57.03433	9.7
57.07066	12.5
61.02918	6.0
67.05164	4.5
67.05508	83.1
69.03422	5.7
69.07072	24.2
71.08626	7.9
71.30932	8.0
72.21703	3.3
73.02921	3.7
79.05493	30.0
81.03415	4.9
81.07061	100.0
82.79655	3.1
83.04979	4.2
83.08626	23.2
85.02903	5.5
85.06541	3.6
86.09711	7.6
91.05479	25.3
93.07059	30.9
95.08611	71.9
97.06542	6.0
97.10173	12.7
99.08086	4.7
101.02264	3.4
103.04047	4.5
104.10751	33.4
105.07051	17.6
107.08593	18.0
109.10178	34.7
111.08111	5.3
111.11718	4.3
113.00017	4.9
117.06998	4.6
119.08579	20.9
121.10194	18.6
121.10895	3.0
123.11758	15.1
131.08565	9.9
133.06458	3.9
133.10138	20.1
135.08133	6.0
135.11691	11.2
137.13268	6.1
139.11160	3.4
141.48109	2.8
143.08527	3.6
145.10060	6.0
147.11664	9.9
149.13268	14.3
151.14848	7.5
155.14296	3.4
161.13249	10.9
163.14836	13.2
165.16457	8.1
175.14857	9.1
179.17967	6.7
184.07330	4.0
189.16335	4.5
245.22647	42.7
263.23767	45.0
337.27371	51.0
365.12549	4.0
405.30237	4.2
434.69687	3.8
459.24908	16.1
499.32095	4.1
517.35114	7.4
518.32349	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03943	1.9
55.01863	1.6
55.05517	13.6
57.03440	5.4
57.07064	2.1
60.93074	0.6
65.03934	1.4
67.05508	29.6
67.38563	0.6
69.07072	13.1
69.07442	0.8
71.04993	2.1
71.46027	0.6
78.49218	0.6
79.05044	1.2
79.05499	21.0
81.07063	35.8
83.04977	1.2
83.08621	9.1
85.06531	1.7
91.05483	18.0
93.07050	28.5
93.62782	0.5
95.04980	2.3
95.08612	28.5
95.64863	0.6
97.06553	3.1
97.10182	3.1
97.50158	0.5
98.20746	2.2
99.08106	0.6
103.05454	1.1
105.04612	0.8
105.07034	24.4
107.08601	19.8
109.06528	1.5
109.10164	11.9
111.08094	1.7
113.09683	0.7
116.55429	0.6
117.07011	7.1
119.08588	22.4
121.06585	0.7
121.10147	15.5
123.08070	1.6
123.11719	3.8
125.09634	1.4
128.06320	0.8
128.81236	0.6
129.07014	4.2
130.07825	0.8
131.08575	16.6
133.10136	17.6
135.08127	1.1
135.11702	9.9
141.06972	1.1
142.07838	0.6
143.08553	5.0
143.09315	0.5
145.10127	15.9
147.11699	11.2
149.09682	1.1
149.13272	7.0
151.11191	1.1
155.06027	0.5
155.08569	2.6
157.10135	5.3
159.11702	12.7
161.09695	0.8
161.13269	7.4
163.11201	0.8
163.14864	2.2
165.12769	0.6
169.10072	2.8
171.11716	5.7
173.13286	9.5
175.11140	0.9
175.14867	2.5
177.12769	0.9
177.16362	1.2
183.11748	2.2
185.13280	4.9
187.14819	4.6
189.12804	0.8
189.16426	1.9
191.14227	0.7
197.13324	1.6
199.14839	3.8
201.16408	2.7
203.14336	0.8
203.17987	1.0
205.16005	0.9
211.14908	1.9
213.16441	1.8
215.17981	1.0
217.15923	0.9
219.17567	1.1
225.16486	1.0
227.16342	0.9
231.17346	0.8
233.19055	1.1
241.17656	3.2
241.20081	1.1
245.19135	0.7
249.18602	0.6
255.21243	0.7
257.19119	0.7
259.20615	3.4
261.22327	1.0
267.28906	0.6
271.20633	0.7
273.22165	1.7
275.20148	0.9
277.21741	1.4
285.22220	1.4
287.23761	1.8
289.21637	1.0
291.23196	0.8
299.23715	1.2
301.25192	1.4
303.23251	0.9
305.25061	0.8
313.25342	2.2
317.24866	1.2
319.26312	0.9
327.26889	1.1
331.26495	0.8
333.24258	1.7
341.24496	0.7
343.26422	1.2
357.27625	0.7
361.27548	0.8
369.27606	0.7
391.28314	1.1
405.30011	1.7
407.33105	4.5
408.32861	0.6
419.31921	1.3
421.29291	0.7
425.28494	0.5
425.34158	13.1
443.35223	7.2
447.31195	0.7
459.35132	0.8
461.36502	1.0
463.35754	0.8
481.36954	1.1
499.37927	16.3
517.38892	100.0
518.39227	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.20108	0.7
53.03937	2.2
55.01873	1.3
55.05255	0.9
55.05515	15.6
57.03437	5.3
57.07070	3.0
60.09450	0.6
60.41558	0.7
65.03936	1.5
65.13546	0.7
67.05508	32.1
69.07072	13.4
69.95907	1.9
69.96313	2.2
71.04974	1.5
77.03953	0.7
79.05042	1.6
79.05495	24.4
81.07061	37.9
81.30762	0.8
83.04981	1.8
83.08616	8.1
85.06550	2.3
89.29860	0.7
91.02969	0.8
91.05483	21.9
93.06457	1.5
93.07051	30.6
95.04966	2.3
95.08612	27.7
96.08921	0.9
97.06546	2.8
97.10178	3.7
99.08102	1.2
105.07032	24.0
107.08597	23.1
108.65580	0.7
109.06535	1.8
109.10160	13.0
109.81673	0.8
111.08109	1.9
117.07007	8.4
118.34758	0.8
119.08587	26.7
121.10140	15.5
123.08086	1.6
123.11724	4.9
125.09638	1.8
129.07005	4.8
129.39096	0.7
131.08574	19.0
133.10130	16.7
135.08073	0.9
135.11694	10.4
137.09634	0.9
137.13280	1.2
139.67172	0.8
142.07907	0.9
143.08571	6.1
145.10126	17.7
147.11708	14.3
149.13269	6.2
151.11221	0.9
153.12660	0.8
155.08556	2.3
157.10139	4.9
159.11714	14.0
161.13257	7.9
163.14845	2.6
165.72253	0.8
169.10152	2.8
171.11705	6.2
173.13281	9.7
175.14851	5.1
177.16409	1.1
183.11768	2.8
185.13266	4.7
187.14828	6.3
189.16452	2.1
197.13264	3.6
199.13301	1.0
199.14911	3.3
201.16431	1.6
203.14268	1.5
209.13327	1.1
211.14827	2.1
213.14645	1.0
213.16402	2.2
215.17946	1.0
227.16327	1.0
239.16396	1.4
241.17961	2.7
241.19901	1.5
245.19016	1.0
247.16924	1.1
254.77650	1.0
259.20618	3.1
261.22235	1.0
273.22104	1.8
277.21704	0.8
285.22217	1.8
287.23715	2.0
293.21268	0.9
299.23718	1.9
301.25278	1.2
303.23279	1.1
313.25275	1.8
331.26407	1.1
333.24274	2.3
335.25830	1.4
341.81009	0.9
343.26364	1.0
355.26404	1.0
361.27371	0.8
391.28522	0.9
405.30106	1.3
407.33087	4.8
425.34161	15.2
443.35373	6.1
447.31042	1.5
461.36362	1.0
463.35849	0.9
499.32523	0.5
499.37909	17.3
517.38928	100.0
518.39362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01879	1.4
55.05518	15.3
57.03436	6.2
57.07077	2.0
59.59671	0.9
61.66993	0.8
62.94800	0.6
65.03953	1.4
67.05510	33.5
69.07073	14.4
71.04978	1.0
71.08633	1.0
71.12244	1.9
72.08161	1.9
79.05502	22.9
81.03444	1.1
81.07062	39.6
83.04972	2.5
83.08624	9.7
85.06552	1.8
85.95420	0.8
91.05483	22.2
93.07051	30.0
95.04963	2.7
95.08611	31.3
95.65687	0.7
97.06528	3.4
97.10197	4.2
99.08094	2.2
99.88747	0.9
101.07082	0.8
103.05512	0.9
105.07037	26.5
107.08604	21.9
109.10164	14.2
111.08114	1.4
113.00008	1.0
117.07026	9.3
119.08586	25.0
121.10143	17.5
123.11718	5.0
125.09634	1.3
128.44125	0.9
129.05446	0.7
129.07002	5.0
131.08585	16.8
131.09512	1.6
133.10130	20.1
135.08112	1.2
135.11703	9.1
136.07532	0.9
137.13268	1.5
141.07042	0.9
142.07774	1.0
143.08563	7.1
145.10138	17.9
147.11700	14.4
149.13251	6.9
151.11333	1.0
155.08578	1.7
157.10152	6.6
159.11708	12.3
161.09645	1.0
161.13239	8.6
163.11224	1.5
163.14804	3.0
165.12727	1.0
169.10173	2.2
171.11703	6.3
173.13281	11.9
175.14853	3.9
177.12851	1.0
182.94220	0.9
183.11725	3.2
185.11847	1.0
185.13235	5.2
187.14845	6.2
189.12822	1.2
189.16359	2.1
191.14557	0.8
197.13304	1.8
199.14905	3.8
201.16417	2.9
205.15694	1.0
211.14882	1.9
213.14761	1.4
213.16580	1.3
215.17984	1.3
219.17590	1.0
227.18112	1.4
239.16173	1.2
241.17973	2.9
241.20020	1.2
243.17693	1.1
249.18639	1.0
259.20569	5.2
261.22208	1.3
271.20560	1.3
273.22348	1.3
281.21149	1.1
283.24927	0.8
285.22314	1.2
287.23865	2.3
289.21826	1.1
299.23706	2.1
301.25381	2.1
303.23294	1.3
305.21124	0.8
313.25482	2.0
315.23270	1.1
327.26947	1.6
329.24850	1.1
331.26425	1.3
333.24536	1.4
345.28162	1.1
355.26282	0.8
405.30090	1.9
407.28189	1.4
407.32870	3.9
425.34213	14.9
426.34680	0.9
428.35315	1.1
443.35229	6.1
446.36575	2.8
459.35178	1.1
461.36899	1.5
481.36606	1.3
499.31171	1.5
499.37927	20.9
505.20871	1.0
517.38965	100.0
518.39441	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	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.01954	0.6
53.03941	3.0
55.01866	1.6
55.05517	14.2
55.65270	0.6
56.38221	0.6
57.03442	4.5
57.07072	2.6
65.03934	1.4
67.05509	32.6
69.03437	0.9
69.06722	0.9
69.07076	14.8
71.04997	1.8
72.08137	1.0
77.03227	0.6
79.05495	23.1
81.07062	39.2
83.04990	1.9
83.08619	9.9
85.06541	2.0
91.05489	18.9
93.06454	1.4
93.07050	29.7
95.04978	3.0
95.08609	30.1
97.06545	3.6
97.10191	4.1
98.21513	1.5
99.08115	1.5
105.04544	0.8
105.07036	25.1
107.05045	0.8
107.08598	19.6
109.06512	1.6
109.10167	13.1
111.08109	2.0
112.02723	0.7
113.00033	1.1
117.07031	9.3
119.08584	25.3
121.10156	15.9
123.08061	1.5
123.11730	4.5
125.09662	1.8
128.06267	0.7
129.07001	4.3
131.08575	16.4
133.10138	17.8
135.08133	0.8
135.11700	10.7
137.09627	1.6
137.13315	1.2
139.11206	1.2
141.07034	1.4
143.08551	6.6
145.10126	17.9
147.11691	13.0
149.09619	1.4
149.13266	6.5
151.11246	1.0
155.08586	2.5
157.10127	6.6
159.11710	13.4
161.13268	8.0
163.11203	1.2
163.14848	3.3
165.12804	1.0
169.10153	2.8
171.11690	6.3
173.09663	0.7
173.13263	8.2
173.14624	0.7
175.11253	0.6
175.14828	3.3
177.16399	1.6
181.10152	1.2
183.11729	2.5
185.13297	5.2
187.14815	4.8
189.16396	1.4
195.11809	0.9
197.13295	2.8
199.13196	0.7
199.14865	2.9
201.12869	0.8
201.16481	2.2
203.17944	0.8
205.15811	0.8
211.14919	2.3
213.14703	1.1
213.16425	3.0
215.18068	2.1
217.15891	1.2
219.17480	0.9
225.16415	1.8
227.18051	1.6
231.17513	1.0
241.17992	2.8
241.19933	1.3
243.17656	0.7
245.19089	1.6
259.20569	4.4
261.22147	0.8
273.22229	1.4
275.20148	0.9
281.21307	1.4
285.22198	1.6
287.20886	0.7
287.23792	2.9
299.23770	2.2
301.21512	0.7
301.25217	2.1
305.24890	1.0
313.25360	2.7
315.23346	1.5
317.24881	1.2
319.22684	1.1
325.25162	0.8
327.26813	1.5
331.26331	1.0
333.24652	1.3
335.25827	0.7
401.30396	0.8
405.30051	2.6
407.28116	1.5
407.33179	4.3
419.31915	1.4
425.34161	14.8
435.10086	0.8
443.35269	7.5
446.36560	1.4
459.34387	0.9
461.36453	0.9
463.35938	1.2
481.36697	1.0
499.37946	20.0
499.44272	0.7
517.38922	100.0
518.39026	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	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77025	0.1
51.88387	0.1
53.03945	0.1
55.05511	0.2
56.05032	0.6
57.03431	0.1
58.06629	0.5
59.07386	0.1
60.08167	6.3
65.03944	0.1
67.04952	0.1
67.05501	0.7
69.93865	0.2
69.94274	0.2
70.05647	0.1
71.07375	3.6
78.29129	0.1
79.05492	0.3
80.97433	0.1
81.07056	0.4
86.09708	33.5
87.10038	0.2
91.05478	0.2
93.07060	0.4
95.08616	0.3
98.98468	3.8
104.10744	3.5
105.07056	0.1
107.08560	0.1
125.00007	24.0
126.00346	0.1
158.22612	0.1
171.63847	0.1
184.07344	100.0
185.07617	0.5
258.11111	0.1
322.93906	0.1
335.25687	0.2
411.43658	0.1
492.99203	0.1
500.31256	0.9
518.25714	0.1
518.32568	1.1
521.71729	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05036	1.3
56.89877	0.3
57.03428	0.8
58.06606	1.2
59.07403	0.5
60.08167	17.2
63.61420	0.3
65.03931	0.4
67.05502	2.9
69.07066	0.7
71.03961	0.7
71.07378	7.6
79.05504	1.7
81.07066	2.0
86.09708	53.1
91.05480	1.0
93.07051	1.9
95.08583	1.5
98.98466	4.5
104.10747	100.0
105.07021	0.8
107.08640	0.5
119.08578	0.7
121.10103	0.5
125.00008	31.4
135.11769	0.4
163.01628	0.7
184.07346	99.5
185.07716	0.4
245.21272	0.3
258.11096	1.6
335.25943	0.6
441.23984	0.3
500.31378	8.2
518.32471	23.8
540.98865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	42.0
57.03431	12.4
57.07079	38.8
67.05513	25.8
69.07059	19.7
71.08635	29.1
71.61253	5.6
76.94604	4.1
79.05476	13.8
81.07051	28.6
83.08624	39.6
85.10182	14.2
87.17532	4.0
91.05494	4.9
93.07028	9.9
95.08594	18.6
97.10174	73.5
104.26620	4.0
107.08584	17.6
109.10168	12.9
111.08065	4.8
125.09644	60.4
135.08060	8.6
154.69191	4.1
156.32413	3.9
171.10149	4.8
189.11252	51.2
213.93222	5.8
227.12781	100.0
245.13858	86.7
249.45911	4.9
274.20050	4.2
309.00757	4.8
313.23990	8.2
313.27368	90.6
368.33856	4.5
483.36984	57.5
518.38550	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	519.114
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.19958	0.1
55.05500	0.1
65.03925	0.1
67.01859	0.4
67.05497	0.2
68.99483	0.1
68.99776	0.5
69.03418	0.2
69.07066	0.2
69.45279	0.5
69.45704	0.3
70.06596	0.2
71.04992	0.2
73.40387	0.1
79.05495	0.2
80.02023	0.1
81.03407	0.3
81.07059	0.2
84.08157	0.1
85.02904	0.3
91.05463	0.6
93.07040	0.2
95.04980	0.2
95.08603	0.2
97.02870	0.1
97.06531	0.1
99.04458	0.1
105.07026	0.2
109.02846	0.2
109.06537	0.1
109.10105	0.2
119.04083	0.1
119.04948	1.9
121.02881	0.6
121.10179	0.1
127.03884	0.2
129.01846	0.2
133.10100	0.1
145.02814	0.7
147.04405	0.2
147.11705	0.1
151.03990	0.1
153.01837	4.9
163.03929	0.5
167.05595	0.1
167.06969	0.1
171.02895	0.4
177.05438	0.2
181.04956	0.1
187.03886	0.1
197.06105	0.1
202.06192	0.1
203.07034	0.2
207.06607	0.1
218.43819	0.1
220.09441	0.1
225.05533	0.3
229.04993	0.3
230.09323	0.1
243.06474	0.3
247.06000	0.1
253.05060	0.1
271.06012	100.0
272.06311	1.9
299.05917	0.1
321.24258	0.1
433.11380	1.1
475.12485	0.1
501.09894	0.2
519.11218	1.9
519.23547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.0
57.03426	0.5
69.03414	1.2
71.59279	0.6
73.04752	0.6
85.02900	2.2
85.62596	0.5
89.03907	0.6
91.05798	1.4
92.73524	0.5
97.02915	0.6
98.97605	2.1
101.00832	0.6
110.97604	0.6
115.05464	2.6
117.03382	0.5
117.05764	1.4
119.01915	1.1
121.02842	0.6
131.01935	1.0
132.08099	3.5
133.06497	1.1
135.04440	0.6
137.06035	0.6
145.03448	1.4
147.04498	0.8
149.05983	0.5
155.01901	1.2
159.06743	0.9
159.56915	0.5
160.07585	100.0
161.02962	0.8
161.07935	1.3
163.03899	1.8
167.05544	1.3
167.06889	0.8
173.02954	1.0
176.07109	0.7
177.05548	0.8
177.07787	0.6
177.10239	15.2
179.01929	0.5
183.04976	0.5
185.02957	1.6
185.10054	0.5
197.02997	1.7
201.00722	0.7
203.04044	0.8
213.02367	1.0
219.01773	0.7
221.03006	0.5
237.02504	2.6
245.05132	3.5
249.02437	1.0
255.03551	4.9
263.03915	0.7
267.00089	0.5
267.03552	2.0
267.07123	0.5
279.03558	0.9
285.04666	0.5
291.03488	0.5
297.04773	0.8
299.06210	1.7
321.04666	0.6
339.05679	8.3
344.97702	0.7
351.09143	0.6
357.06638	4.6
393.08820	0.7
399.07739	1.1
417.08746	2.7
457.26569	0.5
519.11182	0.6
519.21338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85607	0.3
67.05502	0.4
69.79064	1.6
70.06599	1.1
81.03423	0.4
85.02924	0.5
91.05498	0.5
93.07053	0.5
95.08608	0.4
98.22781	0.4
105.07060	0.3
119.04895	0.4
126.77762	0.3
175.04063	0.4
203.05319	0.7
207.06572	0.8
225.15677	0.3
259.07919	1.1
283.06076	0.6
283.15182	0.4
309.08038	0.3
313.07193	0.7
323.09113	0.4
337.07187	0.4
339.17905	0.4
357.18930	2.6
459.21777	0.8
475.23782	0.4
487.21527	1.2
519.24194	100.0
520.24615	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	520.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
58.80253	1.0
69.03435	2.3
71.60500	1.6
72.08143	1.1
78.04757	0.8
79.05496	1.0
81.03385	0.9
84.08165	1.2
84.30151	0.8
85.02908	3.6
87.93491	1.0
89.03927	2.1
91.05424	1.0
91.74062	0.9
93.07053	2.9
97.02902	1.7
98.97603	4.1
103.05460	8.7
107.04959	3.1
116.98602	1.1
117.03400	1.6
120.08108	100.0
121.02868	1.2
121.08435	1.3
127.03931	1.3
131.04953	3.1
135.04427	4.3
136.06187	1.0
140.07091	2.2
145.02861	2.8
147.04408	2.5
149.05965	1.6
151.07590	1.5
160.07655	1.4
161.84895	0.9
163.03908	32.0
164.04237	1.4
166.08647	44.4
167.05615	1.4
167.07022	1.1
177.05574	1.2
219.01706	2.1
237.02815	2.1
240.58972	0.9
345.98303	1.2
439.12097	1.2
448.50748	1.1
471.60245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01879	0.3
55.46882	0.3
55.58141	0.3
56.05046	0.4
56.96572	0.3
57.03431	1.7
58.06582	0.4
58.52082	0.3
60.04532	0.4
61.02922	0.8
65.85587	0.3
67.05496	0.5
68.99793	0.7
69.03429	5.5
69.27596	3.4
70.06596	8.6
71.05000	0.8
73.02914	1.6
74.06075	0.8
79.05522	0.6
81.03436	1.8
81.07072	0.5
83.04990	0.5
84.08137	0.6
85.02905	9.6
86.06075	0.8
86.09718	0.6
87.00832	25.0
87.04463	2.1
91.05486	1.3
93.07046	0.9
93.47684	0.3
94.06574	0.3
95.04969	0.6
95.08636	0.3
97.02898	100.0
98.03232	0.6
98.97589	0.5
99.04463	1.2
105.01872	14.7
105.07040	1.6
107.04926	0.4
107.08583	0.8
109.02892	1.3
111.04472	0.4
115.03938	3.3
119.04889	0.7
119.08626	0.5
121.06476	0.5
127.03937	6.0
133.04968	0.4
144.71629	0.4
145.04950	5.4
145.10120	0.5
147.04417	0.8
150.05472	0.9
159.11687	0.4
163.03944	0.4
163.11232	0.5
167.07094	0.5
175.03952	1.2
177.05473	0.6
181.05067	0.5
183.02963	0.5
201.03952	40.6
202.04294	0.5
207.06465	2.1
219.05005	13.7
231.04951	1.8
236.07759	1.5
249.06140	0.9
262.01331	0.5
274.79086	0.3
279.05667	0.4
299.05621	0.7
304.22632	0.6
314.11447	0.4
319.10449	0.4
322.24036	1.2
323.11273	0.5
325.07053	0.4
340.24896	0.5
345.08231	5.0
353.06662	0.4
363.09247	2.5
383.07480	0.6
519.91113	0.4
520.22699	0.8
520.30481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14668	0.7
53.03937	2.2
55.01874	1.0
55.05277	1.0
55.05511	8.4
57.03228	0.7
57.03441	9.0
59.46634	0.7
60.08153	3.9
65.03944	1.4
67.05508	33.3
69.07066	6.9
70.02302	2.1
70.02713	1.8
71.05006	1.2
71.07372	1.6
79.05499	17.1
79.59557	0.8
81.07059	27.1
82.07349	0.8
82.30443	0.8
83.08621	2.3
86.09719	7.2
87.10036	3.2
88.03979	7.2
91.05480	9.3
93.07048	18.8
95.04982	1.2
95.08609	22.6
97.06531	1.5
97.10176	1.1
98.21436	0.8
98.98461	6.0
104.10738	14.6
105.07038	6.1
105.11081	6.0
106.05030	2.1
106.11228	0.9
107.08605	8.7
109.10165	8.4
117.06992	0.8
119.08590	3.3
121.10147	6.0
123.11686	1.2
125.00008	5.9
126.00342	1.4
131.08571	2.6
132.13878	0.7
133.10130	2.5
135.11697	3.4
145.10118	2.3
147.11731	1.2
149.13220	1.1
159.11719	1.0
161.13301	1.0
163.14735	1.0
173.02161	1.6
173.13319	0.9
184.07343	13.8
185.07692	5.2
186.07837	2.3
201.68738	0.7
203.75029	0.7
261.22229	2.0
333.00677	0.8
335.25812	100.0
336.26202	3.0
348.25150	1.8
349.16937	1.0
502.31970	1.7
520.32928	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	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.05514	15.3
57.03440	3.5
57.07072	10.5
57.27636	2.6
61.02909	3.8
61.37722	2.8
65.03943	4.4
67.05515	27.2
69.03426	9.8
69.07075	34.3
70.06557	3.5
70.83932	8.2
71.04996	9.3
71.08618	3.1
74.02512	2.9
75.27187	2.7
79.05501	26.5
81.03414	6.0
81.07059	51.7
83.04973	11.3
83.08610	8.3
84.04488	3.5
84.92256	3.0
85.02922	17.4
85.06548	15.6
87.00844	7.8
91.01906	2.7
91.05492	32.6
93.07056	85.6
95.04986	22.6
95.08613	43.3
97.02902	5.8
97.06522	10.1
105.01868	8.4
105.07039	78.0
107.08601	100.0
109.02879	8.3
109.06530	8.2
109.10169	27.3
109.78134	2.7
111.08095	5.4
117.07039	14.0
119.08594	57.4
120.08099	2.9
121.06562	5.4
121.10155	90.0
123.08082	8.8
123.11717	16.5
125.09611	3.2
127.03925	11.7
129.07002	4.9
130.07791	8.6
131.08568	22.1
133.10149	32.0
135.08040	3.4
135.11731	18.6
137.06047	2.8
137.09604	5.2
139.11230	3.9
142.07857	3.3
143.08557	6.5
144.09372	6.8
145.05000	3.6
145.10139	69.7
147.11717	16.5
149.09586	3.2
149.13280	31.9
157.10147	7.8
159.02820	3.1
159.11710	88.8
161.13246	15.1
163.11206	12.4
173.13229	10.6
175.14856	8.6
177.12730	4.6
177.16417	5.9
181.12260	2.9
189.16399	5.6
191.17955	3.6
201.16373	38.8
219.17480	18.9
231.04953	3.9
310.25589	2.8
340.25098	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94394	3.2
51.15747	3.7
51.28268	3.9
53.03943	15.4
55.01844	8.4
55.05508	40.9
58.06597	10.8
63.66827	3.8
65.03953	7.7
67.05510	31.1
67.84947	3.4
67.85296	3.5
69.03436	27.9
69.07071	21.0
70.06587	7.2
70.90939	10.6
71.05000	10.8
73.02940	4.9
73.06569	4.4
79.05498	26.7
81.03426	25.9
81.07064	71.2
83.04980	20.9
83.08607	10.5
85.02905	45.5
85.06552	5.7
86.06081	8.8
87.00830	20.3
88.07633	79.3
91.05470	45.5
91.26561	3.9
93.07051	77.9
95.04978	16.2
95.08614	56.8
97.02905	25.8
97.06520	13.9
97.10199	4.9
99.04471	5.8
103.05505	4.9
105.01907	20.6
105.06367	6.7
105.07036	86.2
107.08605	69.3
109.02891	20.3
109.06528	8.6
109.10157	32.1
111.08083	15.6
117.07030	13.2
118.44934	3.3
119.05001	3.7
119.08598	62.4
121.06521	9.1
121.10150	100.0
123.08054	9.1
123.11693	12.3
125.07777	3.4
125.09602	10.3
127.03922	35.6
129.06885	5.0
130.07761	7.4
131.08585	34.8
133.10136	58.3
135.08099	4.2
135.11725	26.6
137.09648	5.3
139.11234	3.8
139.14236	3.9
140.33543	3.8
143.08522	5.6
143.10706	9.1
144.09378	5.7
145.02818	5.9
145.04994	11.7
145.10133	73.6
147.11688	18.0
149.13252	10.4
151.11179	9.7
157.10164	6.2
159.02892	9.6
159.11713	69.6
161.13304	18.9
161.97415	3.7
163.11159	11.9
163.14882	4.0
173.13269	18.1
175.14879	11.8
177.05542	6.3
177.12761	10.3
177.16402	5.0
191.14352	4.0
191.18025	8.0
201.16385	78.5
219.17477	32.7
303.96503	5.2
341.61612	3.9
358.29465	10.5
359.32983	3.6
404.39255	4.0
502.35056	4.2
520.22076	13.2
520.34698	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82287	1.8
53.03939	6.2
55.01866	1.9
55.05515	62.4
57.07073	3.4
59.05003	1.8
59.50509	1.4
61.28864	1.6
67.05516	10.0
68.58413	1.6
69.03429	7.2
69.07069	27.6
70.06593	2.7
70.77491	3.1
71.04984	3.8
71.70042	1.6
79.05489	11.4
81.03421	4.2
81.07064	35.3
83.04980	6.9
83.08609	3.5
85.02916	5.7
85.06537	7.1
86.09737	1.8
87.04462	2.4
87.08112	5.3
88.19069	1.6
91.05483	17.7
93.07044	32.5
95.04987	5.9
95.08618	17.9
97.02892	5.7
97.06544	6.7
97.10165	10.1
98.97586	2.9
99.08089	9.5
103.05474	2.5
105.01836	2.1
105.06365	2.4
105.07044	28.5
107.04925	2.0
107.08607	20.3
109.02887	3.1
109.06518	14.8
109.10161	14.1
111.11739	12.8
117.07041	3.7
119.04957	3.9
119.08587	13.3
121.06504	1.6
121.10151	100.0
123.04392	2.3
123.08079	5.1
123.11713	13.6
125.09613	4.3
127.03967	2.9
127.07582	8.5
131.08560	6.2
132.72908	1.6
133.10153	12.1
135.11710	20.5
137.09630	2.9
137.13304	2.8
139.11180	21.2
143.10698	3.0
145.05026	2.4
145.10132	15.6
147.04446	2.1
147.11707	5.9
149.09645	3.4
149.13290	2.3
151.03842	2.6
151.11209	9.9
155.10663	4.0
159.11702	8.0
161.13257	10.7
163.11194	7.0
173.13245	2.7
175.03940	1.6
175.14841	3.0
177.05536	1.8
177.16406	6.4
181.12242	3.1
201.16431	8.9
207.06479	1.6
219.17461	26.7
223.57494	1.7
237.18567	2.7
281.43671	1.6
375.79901	1.6
416.33890	1.6
429.03848	1.6
520.36078	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01866	2.6
55.05256	2.9
55.05513	51.8
57.07069	2.7
57.31070	1.7
59.05013	2.6
67.05514	15.6
69.03436	11.9
69.07071	24.5
70.06596	3.2
70.76525	3.5
70.76903	3.1
70.91541	1.7
71.05000	13.8
72.08123	2.3
73.02956	2.6
73.06544	1.7
74.33100	1.8
77.03957	1.7
79.05505	16.0
81.03414	7.4
81.06577	2.4
81.07063	49.2
83.04968	6.4
83.08604	6.7
84.08116	1.5
85.02908	15.9
85.06547	5.8
86.06091	4.3
87.00815	5.0
91.05473	18.7
93.06458	2.9
93.07053	56.1
95.04955	7.0
95.08613	39.7
97.02898	8.8
97.06528	8.9
97.10164	6.5
98.97575	2.6
99.04452	4.9
99.08085	7.4
103.06507	1.7
105.01860	7.5
105.07034	43.2
107.08601	45.7
109.02878	6.5
109.06546	11.3
109.10165	23.3
111.08077	2.8
111.11706	7.6
115.05450	2.4
117.07033	8.0
119.04974	1.9
119.08577	22.5
120.08099	2.5
121.06515	3.4
121.10146	100.0
123.08070	3.8
123.11725	12.7
125.09650	14.1
127.03923	13.5
127.07555	6.8
127.11198	2.5
129.01813	1.8
130.07729	2.5
131.08565	16.4
133.10133	37.7
135.08171	2.0
135.11690	22.3
137.06018	1.9
137.09593	4.3
137.13231	3.9
139.11197	11.3
143.08620	2.1
143.10678	13.9
145.02838	2.6
145.04958	3.8
145.10129	34.2
147.11688	14.1
149.09645	3.0
149.13269	17.5
151.11168	11.9
155.10660	2.9
157.10114	2.2
159.02885	3.5
159.11705	20.9
161.13278	13.2
163.07597	1.8
163.11169	7.0
164.11972	2.1
167.14316	33.3
173.13231	5.5
175.03932	2.1
175.14810	4.1
177.05467	4.2
177.12747	2.8
177.16412	7.0
181.12321	2.0
191.17975	4.8
200.90198	1.5
201.16382	23.0
207.06508	2.4
219.17441	43.5
237.18483	6.5
240.49336	1.8
245.93835	1.9
448.31180	1.6
513.77997	2.0
520.22003	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39058	0.1
55.05510	0.3
56.05030	0.5
57.03436	0.2
58.06635	0.5
60.08165	6.7
65.40044	0.1
67.05507	0.7
67.51201	0.1
69.07067	0.3
69.68079	0.5
71.07375	3.4
75.92019	0.1
77.31085	0.1
79.05513	0.2
81.07058	0.6
83.08640	0.1
86.09705	32.0
87.10067	0.1
91.05454	0.1
93.07051	0.1
95.08607	0.4
98.57217	0.1
98.98466	3.4
104.10744	3.2
121.10170	0.1
125.00003	23.0
142.71964	0.1
143.01102	0.1
151.93347	0.1
184.07338	100.0
185.07666	0.4
251.35748	0.1
258.10989	0.2
337.27261	0.1
502.32950	1.0
520.33936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51245	0.2
55.05505	1.0
56.05029	1.4
56.28928	0.3
57.03434	0.3
57.07056	0.2
58.06572	1.4
59.07379	0.4
60.08166	17.7
67.05508	3.5
69.07071	1.9
70.83825	0.6
71.07376	7.3
79.05486	1.0
81.07060	3.4
83.04989	0.3
83.08635	0.5
85.26334	0.2
86.09708	52.8
91.05483	0.5
93.07032	1.2
95.08596	2.1
97.06516	0.2
98.98470	4.5
104.10746	98.9
107.08606	0.6
109.10138	0.9
117.15930	0.2
119.08646	0.3
125.00008	31.4
163.01570	0.6
184.07344	100.0
223.88097	0.2
239.23561	0.3
258.11014	1.5
306.84949	0.3
315.37817	0.3
337.27426	0.8
443.25446	0.3
502.32959	7.4
520.34015	23.8
521.34436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.7
57.07079	19.5
67.05499	25.9
69.07088	14.7
71.08620	14.4
71.46871	18.8
79.05491	11.4
81.07056	38.4
83.08620	10.4
89.37145	9.7
91.05489	17.0
93.07024	35.7
95.04917	15.3
95.08605	48.4
96.69363	9.7
103.20333	10.0
105.07027	37.3
107.08604	53.3
109.10166	50.0
117.07053	12.6
119.08589	52.7
121.10139	36.3
125.06027	13.5
125.09682	12.3
131.08556	20.6
133.10130	29.5
135.08058	12.0
135.11649	10.0
145.10097	27.7
147.08003	16.3
149.09636	16.7
151.11125	9.2
159.11638	18.2
163.11162	37.9
165.09111	17.1
171.10204	95.7
171.11618	20.0
175.11220	17.7
181.12141	18.8
185.20551	10.4
193.12137	11.1
201.12741	14.3
203.14317	13.8
205.19540	15.1
208.12134	10.4
221.15338	38.2
234.16020	12.0
248.17851	12.6
268.10394	9.1
312.20859	13.5
313.21545	22.6
325.21652	11.4
333.09308	10.7
339.23209	21.6
340.23874	40.0
425.26660	26.0
427.28299	31.0
440.29321	100.0
457.36652	18.0
475.38019	17.8
520.35516	87.7
520.43311	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	521.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04652	0.5
53.03951	0.9
55.01873	1.2
55.05512	0.6
57.03430	0.9
61.02919	0.6
67.01883	4.2
67.05495	1.4
68.99471	0.5
68.99779	2.5
69.03432	3.6
69.07057	1.0
69.26469	4.9
70.06586	1.7
70.72604	0.5
71.04989	0.5
73.02917	1.0
79.05491	1.4
81.03416	3.7
81.07059	2.5
83.04984	0.8
84.04530	0.5
84.08135	0.6
85.02918	5.9
85.06517	0.6
86.06055	0.6
86.09691	0.7
87.00815	1.7
91.05459	3.0
93.07049	2.2
95.04981	1.5
95.08611	2.2
97.02899	2.6
97.06537	0.8
99.04442	1.1
105.01868	1.3
105.07020	2.5
107.04963	2.4
107.08594	1.2
109.02864	2.7
109.10166	1.3
111.08112	0.8
113.15341	0.5
119.04961	6.4
119.08578	1.1
120.08127	0.7
121.02871	0.8
121.06522	2.2
121.10138	1.3
123.04417	2.5
123.08081	0.6
123.11740	0.6
125.02370	0.5
125.09669	0.6
127.03911	3.9
129.01845	1.1
131.08574	1.4
133.10110	1.1
135.08087	1.1
135.11719	0.5
137.06000	1.0
143.08522	0.7
143.96318	0.5
145.04953	1.6
145.10193	1.0
147.04416	22.7
151.03906	1.2
151.11180	0.7
153.01836	97.1
159.02907	1.4
161.05995	0.8
163.03874	0.6
167.07082	0.7
171.02896	20.7
175.03864	0.7
177.05544	0.5
179.03429	2.2
181.05006	1.0
189.05528	0.5
195.02893	1.7
207.06554	0.9
210.02826	0.5
271.06027	2.1
272.06461	1.5
273.07596	100.0
274.07932	1.1
305.24628	0.9
323.25809	0.7
359.15421	0.5
378.33951	0.5
381.09790	0.8
401.06653	0.5
506.62396	0.6
521.26324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.2
70.06601	3.5
70.73029	5.7
91.05475	20.7
91.56550	1.8
103.05489	2.6
106.35136	2.4
119.04943	32.1
131.04922	2.8
132.02078	2.5
147.04411	25.9
175.03902	41.3
179.07181	3.1
207.06529	100.0
369.11887	2.8
509.32892	2.5
538.68793	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79981	2.8
56.96554	3.2
57.03436	10.6
61.02920	4.0
67.05521	6.3
69.03433	28.6
69.07071	6.1
69.78647	5.9
69.79010	17.8
70.06602	33.6
71.04999	8.4
71.06942	3.7
72.08157	8.0
73.02916	8.5
79.05492	4.6
81.03429	7.7
81.07053	11.5
84.08173	15.8
85.02917	27.0
85.06543	7.4
86.09698	5.1
86.73872	3.3
87.04477	13.6
91.05482	17.7
93.07066	8.5
95.04372	3.4
95.04972	66.4
95.08601	5.0
97.02913	22.9
97.06548	5.5
98.20720	4.4
98.97588	12.9
99.04443	20.8
99.08119	8.1
101.45247	3.0
103.05458	8.8
105.07049	14.5
107.04967	6.1
107.08592	11.9
109.02877	5.5
109.06512	5.1
109.10156	21.5
111.08029	3.8
115.03940	21.0
115.07587	7.7
116.98620	8.1
119.04950	12.2
119.08577	5.0
121.02898	5.5
121.10168	6.5
123.11720	11.9
127.03897	7.9
127.07577	5.5
129.06903	4.0
129.10239	5.5
130.05005	4.0
130.06548	6.0
131.04948	21.4
131.08556	7.1
132.04457	8.3
132.05420	2.9
133.04959	15.9
133.06519	5.1
133.10147	52.5
135.08055	4.7
136.07602	5.3
137.05975	12.5
139.11165	3.9
143.08624	4.2
145.02834	3.8
145.04956	4.3
146.06026	9.1
147.04396	11.0
147.11743	4.6
149.13309	5.7
151.03975	5.1
151.11197	10.8
153.09128	24.0
155.06999	3.9
158.99693	3.2
159.79907	3.0
161.05914	5.1
163.03920	5.6
163.07576	19.1
167.07101	7.9
169.12294	8.1
170.99608	3.9
173.11995	4.2
173.13235	23.1
175.03923	9.0
177.05481	9.2
179.07025	5.4
181.04926	5.3
184.07646	3.6
191.14314	43.2
207.06544	26.6
209.15388	100.0
219.01718	4.8
227.16367	25.1
237.02730	4.5
272.11151	8.7
273.11777	5.7
296.21606	3.4
318.34201	3.4
319.08990	4.2
320.11185	5.5
504.17548	8.6
521.22083	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01859	1.7
55.05515	9.3
55.34280	0.6
57.03424	1.2
57.07081	23.2
62.16476	0.6
65.03921	1.2
65.22030	0.6
67.05510	20.3
67.26806	0.6
69.03426	1.0
69.06718	0.7
69.07069	8.6
69.31219	1.6
69.31647	4.3
71.04974	1.6
71.08635	16.0
73.02895	0.8
79.05061	1.0
79.05498	17.6
81.03416	1.2
81.07061	22.9
83.05001	3.1
83.08624	13.0
85.10185	7.8
91.05050	0.6
91.05499	6.8
93.06461	1.3
93.07048	27.6
95.04987	4.1
95.08612	39.0
97.02869	2.1
97.06519	2.6
97.10187	3.0
99.04444	2.8
105.07039	6.3
107.04960	6.4
107.08602	19.1
109.06548	1.5
109.10160	7.2
111.04418	1.3
113.09614	0.6
117.07033	7.1
119.08570	8.4
121.06530	3.8
121.10149	9.6
123.11703	2.1
125.06006	2.4
130.07764	1.3
132.75720	0.6
133.10153	1.6
135.08014	1.5
135.11703	33.3
137.13220	0.8
137.79308	0.8
139.07527	1.8
143.08592	0.9
145.09021	1.3
145.10129	22.6
153.12755	1.0
157.44125	0.6
163.11189	46.7
177.68452	0.8
181.12254	9.8
209.11739	2.1
212.01672	0.6
227.12791	100.0
228.13260	0.9
239.23735	4.1
521.38403	58.8
522.39075	0.8
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
51.02385	1.1
52.96686	0.9
53.03951	1.9
53.63295	0.8
55.01874	2.5
55.05509	12.0
57.03429	2.0
57.07079	27.0
65.03944	2.1
67.05509	29.8
67.05869	1.7
69.03419	1.4
69.07071	10.8
71.04997	2.1
71.08635	16.1
73.02957	1.1
79.05497	20.9
81.03423	2.1
81.07058	28.2
83.04981	3.3
83.08626	11.7
85.06541	1.0
85.10184	9.5
91.05482	9.7
93.07048	30.1
93.07616	1.6
95.04978	4.3
95.08610	44.3
97.02907	2.5
97.06546	3.2
97.10172	5.4
99.04490	3.1
99.08111	1.5
103.05495	1.4
105.07014	8.8
105.07535	0.8
107.04967	6.1
107.08601	24.5
107.09277	1.7
109.06532	2.6
109.10174	11.6
111.04443	2.2
111.08083	1.4
117.07014	7.9
119.08598	9.0
121.06520	5.4
121.10136	10.4
123.08062	1.7
123.11736	3.5
125.06010	1.9
125.09665	1.2
130.07846	1.8
131.08649	1.8
133.10170	3.3
135.08110	1.7
135.11700	35.1
136.93185	2.7
137.13257	1.4
139.07552	1.2
143.08583	1.1
145.06560	1.1
145.10118	22.2
147.11710	1.0
154.94229	3.6
159.11681	1.1
163.11189	51.4
172.95230	6.1
173.11758	1.2
181.12227	12.5
190.96324	2.5
191.10756	1.1
209.11842	3.6
210.97028	0.9
227.12787	100.0
228.97923	3.2
239.23868	3.3
244.15793	0.9
246.98991	1.1
252.62726	0.9
293.21194	4.8
303.01523	1.0
447.18423	1.3
465.19141	2.3
503.36954	0.9
521.22485	4.9
521.38556	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03804	1.3
50.83587	1.4
53.03941	3.2
55.01881	3.1
55.05511	15.5
57.03435	3.3
57.07082	30.3
67.05511	27.1
69.07071	14.3
71.04997	2.0
71.08643	19.1
79.05499	28.1
81.03441	4.5
81.07069	33.2
83.04994	3.5
83.08625	14.1
85.02902	1.8
85.06585	2.2
85.10203	9.5
91.05480	11.7
93.07056	38.0
93.07619	2.6
95.04981	8.7
95.08616	51.7
97.02921	4.4
97.06570	3.9
97.10197	4.6
99.04457	2.5
105.07056	13.6
107.04950	8.2
107.08608	28.0
109.06544	3.4
109.10156	8.9
111.08108	1.8
117.07078	10.5
119.08592	13.0
121.06565	6.6
121.10156	14.5
121.10921	1.8
123.08091	1.8
123.11733	4.8
125.06030	2.9
125.67811	1.6
129.37016	1.5
131.08606	5.2
133.10167	4.9
135.08160	3.4
135.11705	40.4
135.12682	2.1
137.13297	2.7
145.10133	24.0
147.08147	1.8
147.11732	2.2
149.09659	3.3
153.12752	1.6
155.08597	2.1
159.11804	2.8
163.11188	51.9
173.09694	2.5
175.11240	1.6
181.12285	13.2
193.12331	2.2
209.11777	4.0
211.13361	1.8
227.12794	100.0
234.25920	1.5
239.23779	3.6
265.14392	3.3
311.25818	1.8
426.27634	1.8
428.29065	2.6
441.29660	7.5
521.38574	68.2
522.38470	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	522.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.7
57.03440	7.9
57.07064	1.6
60.04519	0.7
60.08173	6.1
61.08497	1.2
65.03906	0.8
67.05509	28.0
69.06720	0.8
69.07074	14.9
69.36872	4.9
71.07366	2.9
71.08618	0.7
77.21548	0.6
79.05507	8.4
81.07065	28.0
82.07375	0.7
82.57834	0.7
83.05005	0.8
83.08636	7.7
85.06531	1.0
86.09712	17.9
87.10023	5.2
88.03995	4.7
91.05473	5.7
93.07050	8.0
95.08043	1.0
95.08610	16.8
97.06523	1.9
97.10164	2.9
98.98468	6.9
104.10748	28.4
105.07049	4.5
105.11073	7.9
106.11219	2.6
107.08599	5.1
109.06527	0.7
109.10153	8.7
119.08585	3.5
121.10149	2.7
123.11706	3.0
125.00011	10.6
126.00372	1.6
127.00452	2.3
133.10118	2.4
135.11697	1.4
137.13254	0.8
147.11681	1.4
149.13272	1.1
155.00922	0.9
161.13263	1.5
163.14847	0.8
166.60014	0.7
173.02202	0.7
175.14780	0.8
184.07367	26.8
185.07704	10.0
186.07782	7.8
263.23654	1.5
337.27390	100.0
338.27585	1.7
350.26852	1.9
357.70795	0.7
387.20477	0.8
504.33566	4.1
522.34766	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	522.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05263	0.7
55.05515	12.5
57.03443	7.5
57.07064	2.0
60.04503	0.7
60.08165	0.6
60.26774	0.6
65.03941	1.1
67.05506	28.5
67.22831	0.5
67.80374	0.7
69.06714	1.2
69.07072	17.1
69.40695	2.7
69.41124	2.2
70.02950	0.6
79.05498	8.0
81.07061	27.7
83.04993	0.7
83.08622	6.9
86.09692	1.5
88.03989	4.9
91.05482	4.8
93.07055	6.8
93.76376	0.6
95.08609	19.4
97.06519	1.2
97.10172	3.7
98.98465	6.2
102.59957	0.6
104.10742	2.2
105.07022	3.5
105.11107	0.8
106.05043	2.1
107.08586	3.7
109.10157	6.8
111.08076	1.4
119.08579	3.0
121.10134	2.5
123.11726	2.8
124.98915	0.7
124.99934	0.8
133.10144	2.5
135.11720	2.2
137.13272	1.3
142.97728	0.6
147.11714	1.4
149.13252	0.7
149.20894	0.6
155.01059	1.2
161.13298	0.8
173.02087	1.4
175.14876	1.0
177.80392	0.6
184.07332	2.1
186.07817	1.0
202.71526	0.6
245.22818	0.6
260.05081	0.8
263.23752	1.4
334.75125	0.7
337.27386	100.0
338.27682	2.5
350.26736	1.3
430.86438	0.6
522.35425	1.1
532.94379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13134	0.1
55.05513	0.3
56.03859	0.1
56.05032	0.7
57.03440	0.2
57.07077	0.2
58.06350	0.3
58.06636	0.5
59.07382	0.1
60.08169	5.9
66.58096	0.1
67.05500	0.3
69.07065	0.5
70.40583	0.3
71.07377	3.2
71.07742	0.3
79.05489	0.2
81.07078	0.3
83.08601	0.2
86.09710	32.4
93.07063	0.1
95.08601	0.2
98.98467	3.3
104.10744	3.0
121.10186	0.2
125.00010	23.1
144.81656	0.1
184.07347	100.0
185.07710	0.6
198.00052	0.1
258.11050	0.1
272.79813	0.1
339.29041	0.2
360.54874	0.1
504.34470	1.0
507.27249	0.2
522.35522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.84292	0.4
55.05500	1.5
56.05031	1.4
57.03447	0.4
57.07058	0.8
57.21431	0.3
58.06604	1.1
60.08167	18.6
64.99501	0.3
67.05487	1.0
69.07071	2.2
70.76678	0.9
71.07374	6.5
81.07049	1.1
83.08617	1.4
86.09708	48.4
88.26062	0.4
93.07053	1.2
95.08601	1.0
97.10172	0.7
98.98463	3.7
104.10748	100.0
105.11047	0.6
109.10169	0.6
121.10129	0.4
125.00009	28.4
135.11714	0.5
136.93121	0.5
163.01634	0.8
172.95222	0.4
181.02812	0.3
184.07346	97.6
188.02396	0.4
258.11072	1.0
260.21030	0.4
331.18124	0.4
339.29062	1.3
438.54678	0.4
445.27466	0.5
471.19910	0.4
504.34515	8.9
522.35590	29.2
523.36023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.05502	2.6
58.98571	0.8
66.31658	0.7
67.05504	3.3
69.03459	1.0
69.07068	4.3
69.33439	0.6
70.06615	1.1
70.84670	2.0
71.04981	0.7
79.05520	4.7
80.01364	1.2
81.07060	5.2
83.08609	1.2
91.05493	1.9
93.07064	2.6
95.04999	0.9
95.08607	4.1
97.02859	0.9
105.07027	1.6
106.06564	2.7
107.08587	2.2
109.10156	1.8
116.05011	1.6
119.08594	0.7
121.10179	1.3
123.11749	1.0
124.07545	1.1
131.08595	0.8
134.06023	26.9
135.11685	1.4
136.07567	4.3
137.08348	1.9
145.10159	1.0
148.07597	1.4
149.13303	0.9
150.09145	1.5
152.07089	6.9
160.07616	1.3
161.08385	1.0
162.09155	1.3
163.19720	0.8
166.08640	1.4
176.10764	2.8
177.00806	0.7
178.08658	8.3
178.31490	0.8
179.09470	4.0
180.06586	3.7
180.10204	3.7
188.10722	1.8
190.12221	0.9
194.11758	0.9
199.28743	0.8
202.12340	2.8
204.10271	1.7
206.08144	19.6
218.11819	1.3
224.09148	4.7
230.11757	1.5
232.13269	1.0
236.09178	1.3
238.10835	1.5
266.13705	1.0
278.14108	0.9
280.15338	1.0
292.15408	1.7
357.66080	1.3
396.32864	1.6
418.29666	1.3
424.31927	3.7
442.32547	1.5
486.35846	76.5
487.36240	2.1
504.36887	100.0
505.37262	2.6
522.37946	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.8
55.05507	4.8
55.42103	3.7
56.05038	6.0
57.07091	5.5
65.03934	5.1
67.05491	9.4
69.03431	11.5
69.07066	10.8
70.06581	10.9
70.61205	7.5
70.61600	7.2
71.04979	3.7
72.08166	4.0
74.06094	36.8
79.05493	11.3
81.03419	10.6
81.07053	17.8
84.08159	4.2
85.02898	10.7
85.06569	19.8
86.06036	5.0
91.05490	35.9
93.07040	8.9
95.04993	4.3
95.08615	13.0
97.02862	5.2
105.07025	10.2
106.04141	5.0
107.04944	6.0
107.08613	7.1
109.02888	9.1
109.06487	3.9
109.10146	6.7
111.04482	4.8
111.08012	4.0
115.05468	3.9
116.98597	3.6
117.06970	4.2
119.04951	30.1
119.08556	7.4
120.17335	3.8
121.06562	5.5
121.10114	6.9
123.11707	7.0
127.03909	10.0
133.10091	4.2
135.11722	7.7
138.34868	4.1
145.02817	7.8
145.10181	4.0
147.04391	29.1
149.06036	4.4
167.07048	7.3
175.03935	37.7
177.05510	5.0
179.07054	5.6
193.08574	6.6
197.87202	4.1
207.06555	100.0
208.06844	4.0
239.20096	7.8
267.98688	3.7
324.25305	6.1
342.26379	4.6
343.26596	7.6
351.10709	7.7
360.27420	4.7
361.28534	4.6
361.58862	4.1
522.32758	8.7
523.21381	8.0
523.33636	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	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.05511	13.3
55.29626	4.5
55.40932	3.9
67.05521	32.1
69.03417	14.4
69.07075	23.7
69.85081	20.7
70.06594	6.8
75.87231	4.3
79.05504	23.8
81.03408	11.5
81.07059	78.3
83.05022	6.7
83.08642	10.1
84.04509	6.2
84.08122	5.0
85.02905	11.5
85.06544	16.5
86.09737	8.0
91.05495	26.7
93.07055	51.9
95.04984	12.3
95.08611	69.7
97.02905	5.9
97.06528	11.4
97.10165	9.7
98.20813	6.9
98.97577	5.4
99.08081	6.3
105.07030	32.8
107.04941	8.5
107.08607	32.6
109.02877	7.4
109.06529	9.8
109.10173	40.3
111.04465	4.5
111.08106	6.3
119.04947	6.5
119.08598	25.8
119.09343	4.1
121.06467	5.1
121.10155	35.8
123.08064	11.1
123.11742	20.3
125.09655	6.6
127.03923	16.7
131.08572	11.5
133.10132	18.9
135.08002	5.2
135.11700	19.0
137.05977	13.2
137.09636	10.3
139.11165	4.4
141.09099	6.2
145.10133	15.8
147.04396	4.7
147.11728	13.6
147.26706	4.5
149.09676	5.1
149.13275	13.8
159.11711	16.4
161.13277	7.6
167.07057	9.0
173.13316	11.0
175.14847	5.5
177.05499	5.8
182.06534	4.1
187.37126	4.1
189.16376	8.0
191.17844	4.3
198.79030	4.4
203.17935	9.5
205.04953	6.0
207.06586	7.8
215.17984	35.4
221.19093	6.5
233.19049	28.1
251.20065	43.4
271.24295	5.8
289.25342	11.9
291.60260	4.5
291.83182	5.2
307.26389	13.2
325.27402	6.7
329.91605	3.7
343.22382	5.4
350.55017	3.9
372.74268	4.9
425.63235	5.1
523.21448	13.3
523.28766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55999	3.9
53.03935	7.1
55.01872	6.5
55.05264	3.9
55.05516	71.0
57.03418	14.5
57.07058	14.1
59.04983	3.1
65.03944	3.7
67.05161	5.1
67.05508	92.2
69.03419	8.9
69.07085	29.2
71.08620	10.7
71.60398	4.3
75.38352	3.7
79.05495	61.4
81.03430	27.3
81.07056	100.0
83.04961	7.1
83.08626	48.8
83.62946	3.2
85.10178	7.6
86.09682	5.8
91.05481	33.6
93.07040	56.8
95.04966	14.1
95.08617	65.5
97.06516	4.7
97.10175	83.4
104.10731	9.7
105.07034	26.1
107.08602	60.4
109.06509	5.8
109.10152	39.5
111.08061	3.8
111.69773	3.6
117.07019	14.9
119.08583	20.8
121.06487	3.4
121.10138	34.8
123.11692	10.6
125.08744	4.4
125.09637	70.7
125.53130	3.2
131.08571	18.8
133.10136	12.2
135.08061	5.2
135.11679	24.6
136.93118	9.4
137.13222	6.3
145.10114	11.9
146.53394	3.3
147.11690	10.8
149.13219	14.8
153.09084	7.9
154.94188	24.7
159.11681	10.9
161.13293	7.1
163.14807	10.3
163.90710	3.6
171.10124	4.8
172.95221	28.7
173.13190	8.6
184.07375	8.2
187.14793	7.2
189.11230	67.0
190.96298	7.4
192.69128	3.2
193.12245	11.9
201.16325	4.2
210.97601	4.7
227.12782	71.9
228.97873	12.4
233.22609	6.0
243.21083	11.9
245.13864	83.4
246.98834	4.4
256.75034	3.5
261.22156	71.3
262.77734	3.7
267.15988	21.6
270.47702	4.0
279.23163	9.5
313.27399	28.3
317.24710	13.0
335.25824	55.0
339.28979	6.4
370.98203	3.9
413.30301	4.2
449.19781	5.4
467.20602	11.9
487.34903	7.2
505.34296	28.2
523.24121	29.2
523.35852	5.3
526.75879	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	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01868	8.8
55.05254	5.2
55.05513	83.0
57.03445	22.2
57.07067	12.7
67.05168	5.3
67.05510	90.7
69.03423	14.5
69.07073	28.6
69.91228	17.6
71.04984	5.7
71.08617	9.0
72.73583	3.7
77.03960	3.6
79.05495	68.4
81.03418	15.4
81.07064	99.0
83.05003	6.5
83.08617	52.8
83.92336	3.0
85.06521	6.5
91.05491	26.4
93.07051	61.1
95.04955	8.7
95.08611	67.4
97.10172	97.8
97.79352	3.1
105.07034	21.3
107.04957	3.7
107.08604	59.5
108.03735	3.2
109.06512	5.2
109.10169	34.7
111.08087	7.9
117.07004	17.5
119.08581	20.1
121.10144	25.7
123.08088	3.3
123.11712	11.7
125.09642	86.3
131.08545	24.0
133.10146	16.5
135.08029	8.3
135.11693	17.9
136.93095	20.0
137.13174	5.1
145.10139	16.4
147.11685	13.5
149.13243	14.1
153.09122	7.1
154.94153	29.5
157.10222	5.3
159.11687	11.3
161.13240	8.6
163.14917	3.5
171.10207	6.8
172.95264	35.2
173.13319	16.7
175.14825	3.9
185.13199	3.7
187.14809	10.1
189.11232	74.7
190.96274	11.4
193.12196	6.3
195.96835	3.5
210.97542	6.2
227.12801	74.4
227.15123	4.6
228.97853	12.8
233.42480	3.8
243.21132	12.8
245.13855	100.0
246.98924	7.6
261.22189	71.2
267.15994	6.7
277.21558	5.4
279.23215	7.8
313.27301	10.9
317.24814	11.5
335.25824	58.4
413.30768	7.7
431.31146	5.0
449.19638	7.9
467.20291	11.5
487.33939	9.3
505.35025	23.8
523.22833	21.3
523.36322	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.8
55.05507	15.7
57.03444	22.9
57.07077	51.9
60.08170	9.9
67.05508	48.0
69.07062	16.7
69.39275	31.8
69.39690	11.0
71.08641	33.6
79.05495	30.5
81.03423	100.0
81.07050	34.3
83.05002	6.2
83.08620	25.7
84.05273	4.4
85.10184	18.3
86.09718	36.2
91.05480	31.6
93.07042	17.8
95.04966	21.7
95.08627	37.6
97.10158	11.0
98.98466	5.1
104.10746	61.5
105.07033	20.2
107.04977	11.9
107.08607	10.0
109.06527	5.9
109.10130	22.5
111.08084	9.1
119.08577	20.6
121.10149	14.7
123.11749	8.1
125.00002	21.3
125.09570	5.1
129.07013	12.9
131.08600	9.2
133.10126	6.6
147.08067	6.9
147.11656	9.2
149.09625	5.4
153.17558	4.2
154.94305	5.2
172.95169	5.8
175.11183	8.0
184.07350	67.2
193.12248	62.7
211.13313	11.8
225.88654	5.3
267.15921	76.4
277.21622	6.5
313.27328	74.9
361.57050	5.4
432.04739	5.2
505.39185	38.9
506.36206	11.6
523.29071	6.4
523.39862	11.3
524.37109	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
54.49497	1.2
55.01876	1.4
55.05509	18.5
57.03439	8.3
57.07076	51.7
60.06877	1.1
65.03925	1.4
67.05505	35.5
69.03428	4.1
69.07065	15.6
71.04996	5.0
71.08633	33.4
72.21291	1.4
72.62266	1.2
79.05495	17.3
81.03418	47.6
81.07057	44.4
81.07511	2.6
83.04977	7.9
83.08619	31.3
85.02908	23.3
85.06549	2.2
85.10179	15.4
91.05480	23.1
93.07043	15.9
95.04425	1.8
95.04972	18.2
95.08605	35.9
97.02898	3.2
97.06535	4.9
97.10188	8.1
98.20782	4.0
99.08083	1.5
105.07033	18.6
107.04959	3.9
107.08585	6.8
109.06532	2.9
109.10159	15.9
111.08080	8.9
111.11700	1.9
115.05421	1.6
117.07006	1.3
119.08587	17.4
121.10150	7.9
123.08073	2.8
123.11754	6.2
125.09647	2.0
125.13280	1.7
129.06995	9.7
131.08591	5.5
133.06473	1.8
133.10092	7.3
135.02567	1.2
136.93137	1.6
137.13272	2.4
142.07805	2.2
145.10211	1.5
147.08014	2.0
147.11676	13.4
149.09630	5.5
157.10146	8.2
165.12849	1.9
175.11189	13.6
193.12233	48.3
211.13295	53.1
215.07845	1.4
231.13745	1.6
239.23805	6.3
267.16037	8.2
313.27448	9.5
320.94119	1.5
394.59329	1.3
505.39377	2.5
523.39972	100.0
524.40601	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.6
55.01901	6.4
55.05508	24.4
57.03430	16.3
57.07077	47.4
61.68926	5.9
65.03944	8.1
66.30128	5.9
67.05508	52.2
67.18335	5.8
69.07076	20.5
71.08632	44.5
71.61387	11.2
79.05486	25.6
81.03422	99.1
81.07056	50.2
83.04986	8.8
83.08621	45.2
85.10185	14.9
86.09724	13.6
88.93109	5.6
91.05481	29.5
93.07065	24.2
95.04970	30.0
95.08620	47.4
97.10165	9.1
104.10758	21.2
105.07038	19.7
107.08600	12.8
109.10159	35.1
119.08599	19.5
121.10168	12.9
123.11699	15.2
131.08588	13.4
133.10114	13.5
147.11632	15.2
157.10161	11.2
175.11172	13.5
184.07353	19.6
193.12277	63.1
211.13293	10.3
223.06973	6.2
229.14284	10.9
239.23909	8.6
267.15939	84.7
278.40756	6.1
313.27399	100.0
408.88742	6.7
505.39200	65.1
523.24066	10.6
523.39526	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.05516	15.0
55.14122	1.9
57.03449	17.8
57.06825	2.6
57.07082	47.6
59.12572	2.1
67.05511	29.5
69.07071	11.9
70.98381	5.3
71.04977	2.9
71.08274	2.7
71.08638	34.7
75.03102	2.0
79.05508	14.5
81.03424	100.0
81.07063	35.0
83.04974	7.0
83.08628	29.0
85.02918	4.4
85.10182	20.5
89.06055	2.8
91.05478	25.0
92.79581	2.2
93.07066	15.6
95.04970	28.1
95.08624	26.8
97.06541	2.9
97.10172	11.0
105.07032	15.8
107.04934	2.6
107.08590	4.4
109.06536	2.3
109.10170	13.4
111.08089	10.0
117.83296	2.3
119.08603	15.0
121.10127	5.7
122.48991	2.0
123.08041	2.8
123.11704	6.0
129.07019	10.8
131.08565	8.3
133.06528	4.9
133.10138	6.3
137.13225	2.9
142.07837	3.5
147.08035	3.6
147.11687	9.0
149.09633	3.4
157.10138	11.7
175.11217	9.9
193.10637	3.1
193.12282	48.4
193.14037	2.7
211.13269	9.9
239.23796	4.8
249.14873	3.6
259.42096	2.1
267.15942	78.0
313.27380	85.2
338.01212	2.0
505.38937	46.6
523.40051	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30733	0.5
53.03947	1.5
55.01870	1.7
55.05497	1.1
56.96550	0.5
57.03432	0.7
65.03931	1.1
67.05511	1.2
69.03419	1.5
69.07073	0.6
69.50899	3.8
70.06577	1.4
72.34012	0.5
74.06075	1.9
79.05495	5.6
81.03429	1.2
81.07049	1.9
84.08163	0.7
85.02895	1.7
88.03986	0.6
91.05486	6.0
92.05785	0.5
93.03422	1.0
93.07046	1.4
93.62358	0.5
94.04184	0.5
95.04957	1.6
95.08578	0.8
97.06532	0.5
100.50820	0.5
103.05488	4.1
105.07040	19.8
106.04166	1.4
107.04977	2.9
107.08590	1.3
108.05801	0.6
109.02883	0.7
109.06516	1.4
109.10207	0.7
110.09647	0.6
115.05442	1.3
117.07013	0.9
118.04176	3.1
119.04947	1.6
119.08564	0.6
120.05724	1.6
120.08121	1.0
121.06489	2.5
121.10165	0.8
122.03680	0.5
122.07304	1.0
123.08019	0.5
124.05263	0.7
125.05936	1.1
127.03934	0.8
131.04942	1.6
132.05719	0.9
133.06509	18.7
133.10167	0.8
134.07297	0.8
135.04428	2.0
135.08054	2.5
137.05977	7.5
143.08690	0.7
147.04410	1.9
148.05202	1.6
149.05972	3.4
150.06776	7.3
151.03897	0.5
160.07552	0.7
163.03873	0.5
165.09125	15.6
166.08702	0.9
167.07031	1.5
175.04034	0.8
177.05505	2.7
178.06209	1.1
181.04907	0.8
181.08603	1.5
193.08623	100.0
194.08975	1.4
207.06537	1.8
209.08086	8.2
223.04254	4.5
286.12720	0.6
308.81415	0.6
327.13452	0.8
359.15958	1.3
362.12903	2.3
362.28860	1.0
492.21112	0.9
524.22772	0.7
524.29132	4.7
524.36597	0.5
525.23065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01859	1.0
55.05505	1.6
57.03425	0.8
60.04514	1.3
61.02930	0.4
65.03964	0.7
67.05493	1.5
69.03417	1.3
69.07067	0.9
70.06581	1.1
71.40060	0.5
71.40401	0.7
74.02443	1.0
79.05495	5.1
81.03412	1.8
81.07076	1.0
81.84617	0.5
83.08617	1.0
84.08138	0.6
84.63400	0.4
85.02905	2.0
89.03902	0.6
91.05482	4.2
93.07033	1.1
94.03397	0.4
95.04970	1.1
95.08595	1.6
97.02905	1.0
97.06541	0.7
98.97609	0.5
99.04437	0.5
100.11237	1.5
103.05476	4.0
104.06266	0.7
105.07038	19.7
106.04203	0.5
106.07359	0.5
107.04929	2.4
107.08592	1.3
108.05790	0.4
109.02887	2.4
109.10136	1.2
111.04481	0.8
112.21513	0.5
115.05469	1.3
117.03410	0.7
117.07001	1.1
118.04190	2.6
119.04936	1.2
119.08582	0.9
120.05693	0.8
121.06501	2.2
122.03625	0.6
122.07272	0.7
124.05220	0.5
125.05936	1.0
127.03918	2.7
131.04866	0.9
131.08623	0.6
132.04454	1.1
132.05739	1.0
133.06505	17.3
134.03609	0.4
134.07202	0.7
135.04442	1.3
135.08105	2.3
137.05989	7.3
137.09592	0.7
145.02887	1.6
147.04416	0.9
147.48228	0.4
148.05220	1.3
149.05984	2.2
150.05597	0.7
150.06749	6.8
151.07536	1.2
153.09137	0.7
159.11685	0.5
161.05969	1.0
163.03893	0.5
163.07553	0.9
165.09128	15.1
167.07048	1.9
167.88811	0.5
175.07466	0.6
177.05458	3.7
178.06200	1.0
181.08644	0.9
182.15331	0.8
190.00813	0.6
193.08618	100.0
194.09081	1.0
195.09059	0.5
199.17947	0.5
207.06642	0.7
209.08096	4.5
209.16354	0.6
210.14874	0.8
223.04274	3.8
322.08084	0.5
326.27057	0.7
344.28018	2.0
362.29037	1.7
524.12494	0.8
524.21960	0.7
524.29144	4.3
524.36768	1.0
525.23169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05515	5.3
56.05021	3.6
57.03423	2.2
57.07077	1.1
58.02966	1.0
58.06605	41.8
61.02932	2.2
67.05506	12.2
68.05061	1.1
69.03443	6.5
69.07063	7.1
69.48586	9.4
70.06609	5.7
71.04971	1.5
72.04520	45.6
73.02895	1.4
74.06083	22.8
79.05487	5.0
79.47678	1.1
81.03417	5.0
81.06632	1.6
81.07057	18.3
83.08599	3.2
84.08123	1.3
84.83899	1.1
85.02906	19.1
86.06071	86.4
91.05477	3.1
93.07046	5.7
95.08614	16.0
96.08107	2.5
97.02915	6.8
97.10155	2.7
98.06017	4.3
99.04444	1.2
100.07618	1.2
107.08595	4.8
109.02891	2.9
109.10171	7.9
110.06036	3.7
112.07581	1.9
119.08633	1.9
120.08031	1.4
121.10195	5.7
122.09627	2.3
123.11742	6.6
124.07604	2.5
127.03901	3.6
133.10127	1.3
135.11661	4.5
137.13260	2.7
145.04939	1.4
149.13219	2.3
237.22217	1.5
255.23096	2.8
262.25253	2.3
272.23718	1.3
277.21439	1.5
290.24765	24.7
308.25848	68.5
309.26105	1.2
326.26904	100.0
344.27957	61.1
344.31351	0.9
345.28174	1.3
362.29068	5.8
386.28970	2.5
452.30008	1.6
470.30890	3.2
488.32214	15.4
506.33218	53.8
524.33990	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	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05513	0.6
56.05021	1.1
56.61217	0.3
57.07075	2.8
58.06604	1.6
59.07405	0.4
60.08166	16.1
67.05496	1.2
69.07067	0.6
69.83103	0.3
70.06593	0.6
70.21190	1.5
70.91308	0.4
71.07372	6.4
71.08626	2.0
79.05482	0.6
81.07042	1.0
83.08614	0.7
85.10174	0.9
86.09705	51.6
89.19838	0.4
89.26918	0.3
93.07043	0.5
95.08604	1.6
98.98461	4.2
104.10744	100.0
106.11578	0.4
109.10175	0.8
119.52489	0.3
123.52068	0.4
125.00006	26.5
163.01567	0.9
184.07343	96.9
185.07736	0.4
193.18202	0.3
245.17935	0.4
258.11124	1.1
298.10312	0.4
303.26898	0.4
341.30533	1.6
443.08130	0.4
506.36023	9.2
524.37103	28.2
525.37402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48948	1.3
53.03944	2.2
55.05513	12.4
57.03439	9.0
57.07074	3.2
59.04991	4.9
65.03946	1.9
67.05508	100.0
68.61142	1.4
69.07070	6.5
69.93213	2.9
69.93622	4.9
70.17919	1.3
71.04991	3.7
71.08617	3.1
76.57005	1.3
77.51908	1.4
79.05495	20.4
81.03409	4.5
81.07059	37.6
83.08626	7.5
85.06579	2.0
91.05485	14.4
93.07048	24.2
94.87384	1.5
95.04984	3.1
95.08621	22.3
97.10183	2.1
99.08092	1.5
105.07047	6.8
105.35378	1.5
105.96397	1.4
107.08619	12.8
109.10160	64.7
111.08076	4.0
117.07029	1.9
119.08611	8.5
119.09381	1.2
121.10149	10.2
123.11684	4.3
131.08565	5.3
133.10167	2.4
135.11682	6.0
137.09619	3.9
138.94749	1.4
145.10104	3.1
147.11708	2.5
149.13271	3.3
155.10649	5.3
159.11697	2.6
161.13228	3.1
163.11206	1.8
163.14886	2.9
166.51039	1.4
173.11772	20.5
173.13152	2.7
194.12531	1.9
227.12886	1.8
229.14354	65.6
241.75204	1.6
243.21118	5.0
261.22101	10.9
267.15900	3.7
268.16272	3.0
313.27332	2.9
314.27869	2.5
317.24799	3.2
335.25809	69.1
335.29849	3.6
489.35797	37.5
506.39224	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	525.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25152	0.8
53.24805	0.8
56.96558	2.3
71.06889	1.5
71.07226	1.0
98.97588	45.9
116.98631	26.3
134.99658	7.6
138.75986	0.9
142.30167	0.8
162.18942	1.2
162.38979	0.9
165.28868	0.9
192.98853	1.0
205.14189	0.9
214.88205	1.0
216.98926	3.2
219.01978	1.5
232.54875	0.9
234.99998	7.1
240.98845	7.3
248.36841	1.0
253.01137	1.1
258.99890	69.0
260.00101	3.3
261.00317	1.2
261.03140	2.7
274.97995	3.6
277.00931	53.3
278.01053	1.8
282.01273	1.2
283.00024	41.6
284.00259	3.3
285.00055	1.3
292.99020	1.2
298.97940	4.2
299.98218	1.0
301.01080	41.0
302.01230	3.0
304.01010	1.2
316.99057	7.9
319.02396	1.3
340.99280	3.1
359.00079	14.8
360.00348	1.6
364.99136	4.8
378.19922	1.0
383.00046	32.0
383.04919	1.9
384.00104	1.8
401.01163	100.0
402.01489	5.9
419.02496	5.7
424.02844	1.9
425.01270	5.9
440.99258	1.3
441.99240	1.3
443.02289	9.5
483.00244	1.3
507.00089	8.7
525.01349	76.1
525.87622	1.0
526.01697	5.5
542.98383	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	525.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01928	0.5
55.05515	1.8
55.73626	0.4
56.25037	0.4
67.05507	2.3
69.03426	1.2
69.07068	1.3
70.06599	0.6
70.71983	0.4
70.93358	0.7
70.93701	0.9
71.05013	1.0
71.31974	0.4
74.35101	0.4
79.05500	2.1
81.03440	0.9
81.07056	4.3
83.05012	0.7
83.08627	0.7
84.08139	0.8
85.02934	1.6
85.06567	0.8
86.09718	0.6
88.07642	0.7
91.05487	3.0
93.07043	3.4
95.04978	0.5
95.08615	2.7
97.02930	1.0
97.06553	0.8
98.97591	0.5
99.08128	0.9
103.05447	0.4
105.07057	1.9
107.08599	2.3
109.02916	0.5
109.06542	0.7
109.10159	2.6
111.04408	0.5
111.08083	0.8
119.04955	0.6
119.08598	1.6
121.06488	0.6
121.10151	2.2
123.08079	0.6
123.11752	1.3
126.97881	0.4
127.00020	0.7
127.03959	0.4
129.07019	0.5
129.30450	0.4
131.08517	0.4
133.06444	0.5
133.10149	1.2
135.11717	1.2
137.09616	0.5
143.10678	0.4
145.10179	0.9
147.04457	0.7
147.11668	0.6
149.09595	0.8
149.13318	1.2
152.53513	0.4
153.01877	0.6
156.08116	1.3
159.11736	0.9
163.03813	0.5
167.07092	0.6
177.05505	0.9
181.05009	0.6
185.04247	0.6
201.03793	0.8
203.05249	2.2
205.19661	0.6
227.05154	0.7
241.21666	1.9
243.04768	0.6
245.06326	4.6
255.14987	1.2
259.16745	3.7
261.18347	0.8
267.09180	0.5
271.04352	0.9
277.17834	4.5
287.03760	6.7
289.05310	34.7
290.11081	0.5
309.27853	0.9
314.08209	0.9
315.04880	0.5
315.08517	1.1
327.29272	0.6
329.06717	0.5
345.24066	1.0
347.25754	1.9
369.18887	0.8
397.42322	0.5
411.19717	0.7
421.21820	0.9
439.22931	4.9
463.23245	1.9
481.24167	30.3
482.24384	1.3
489.12183	0.5
507.21832	4.1
525.23132	100.0
525.30347	13.3
526.23529	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	525.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
58.06594	1.6
58.31276	0.6
67.05506	1.6
69.03419	1.3
69.07064	2.3
71.04992	1.3
71.60990	0.9
79.05467	1.3
81.03414	1.3
81.07066	4.7
83.08614	0.6
84.08129	1.1
85.02912	1.7
85.06555	0.9
88.07648	5.0
91.05475	2.5
93.07037	2.7
95.04979	1.4
95.08607	3.7
97.02872	0.8
97.06542	1.6
99.08120	1.9
100.08845	0.6
103.05471	0.7
105.07040	1.9
107.08564	2.4
109.06544	1.4
109.10149	2.8
111.04456	0.8
119.04936	0.8
121.06480	0.7
121.10161	1.8
123.11712	1.6
127.03896	0.9
131.08600	0.8
135.11646	1.0
145.02745	0.8
145.04945	0.7
147.04413	1.1
149.13278	1.3
163.03993	0.8
169.04749	0.8
177.05460	1.1
199.67676	0.8
203.05278	2.1
207.06688	0.7
210.27104	0.7
223.20561	0.8
241.21562	1.1
245.06325	3.5
259.16830	4.6
261.18161	0.9
273.07071	0.7
277.17798	5.1
287.03738	6.3
289.05316	31.9
291.26913	0.8
345.24060	1.5
347.25446	2.3
390.88834	0.6
411.19940	1.3
421.21622	1.4
439.23077	5.8
463.22952	2.3
481.24158	32.0
507.21951	3.0
524.37494	1.6
525.22913	100.0
525.30334	19.2
525.38806	3.6
526.23340	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12006	0.5
55.05507	1.3
56.96566	0.5
67.05501	1.0
69.07065	0.7
69.75921	1.2
69.76324	1.9
71.04987	0.6
77.76357	0.5
79.05511	0.7
81.03430	0.9
81.07058	2.0
83.08652	0.5
85.02913	0.9
91.05504	2.5
92.33311	0.5
93.07059	1.2
95.04937	0.8
95.08617	1.5
97.02898	0.9
98.97599	1.4
99.04453	0.6
105.07050	1.5
107.08593	1.8
109.02874	0.6
109.06484	0.6
109.10135	0.6
111.08151	0.6
116.98656	0.6
119.08562	0.7
121.10150	1.0
123.08043	0.6
123.11650	0.6
131.08606	1.1
133.10175	0.6
137.05981	1.1
145.09061	0.6
145.10188	1.1
147.04456	1.0
147.11633	0.6
153.05498	0.7
159.11723	0.7
161.06119	0.6
203.05307	0.9
237.79747	0.5
256.13995	0.5
256.30530	0.6
319.15948	0.7
345.20288	1.0
345.24069	11.5
347.21329	1.2
347.25592	23.1
360.91083	0.5
363.25299	0.9
485.69278	0.4
525.30377	100.0
526.30737	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01868	6.1
55.05522	22.9
57.07076	6.0
58.06611	7.1
59.04998	9.1
59.76796	2.8
65.03929	5.3
67.05512	26.3
69.03433	26.9
69.07075	22.6
69.60134	6.9
69.60534	19.1
70.06587	9.1
71.04984	8.9
72.04506	9.1
72.54433	3.7
73.02927	4.7
74.06079	7.5
79.05505	22.8
79.05875	3.4
81.03408	6.4
81.07066	72.1
83.01325	5.0
83.04987	12.5
83.08608	12.1
84.08150	5.2
85.02892	11.3
85.06557	25.6
86.06059	13.9
86.09733	4.1
91.03956	3.2
91.05490	24.4
93.07060	39.2
95.01295	5.6
95.04964	12.5
95.08616	58.0
97.02863	5.7
97.06526	10.2
97.10176	3.9
99.00841	23.7
99.04465	14.5
99.08102	4.3
105.07021	21.0
107.04996	3.4
107.08604	36.0
109.02866	7.9
109.06523	14.2
109.10152	25.3
111.04418	3.4
111.08070	9.8
113.02366	4.4
115.05446	3.3
117.07033	5.2
119.04937	6.8
119.08592	17.7
121.02898	5.2
121.06522	7.2
121.10155	29.8
123.08078	12.3
123.11777	16.3
125.05964	4.0
125.09646	15.6
127.03949	6.4
131.08554	10.3
133.06535	4.9
133.10123	13.3
135.04420	6.8
135.08051	7.9
135.11678	13.0
137.02272	3.5
137.05971	14.4
137.09619	6.9
137.13208	4.0
139.03961	2.9
139.07559	6.3
143.08557	6.2
145.10110	9.9
147.04416	6.9
147.11719	10.0
149.02255	5.4
149.06012	6.1
149.09619	9.7
149.13246	15.3
151.03929	5.6
151.07544	12.3
151.11131	3.2
153.05484	9.4
155.07005	6.3
157.10143	5.6
159.11681	7.9
161.06026	8.9
161.09634	4.5
163.03912	6.3
163.07616	7.7
163.11197	6.9
163.14819	5.7
165.09109	6.0
167.07127	4.6
171.08043	5.6
173.13174	4.8
175.07544	10.3
177.05505	12.4
177.09084	8.4
179.10709	6.8
181.04948	35.2
181.08641	3.2
183.06589	12.4
189.09131	18.1
191.06989	6.1
193.08630	4.2
195.06560	91.1
203.10716	10.4
205.08649	7.6
207.06537	12.5
209.08131	31.3
217.12340	4.6
221.08087	9.9
223.09656	66.6
231.14029	3.8
235.09645	11.5
237.11238	32.0
239.09163	5.5
249.11217	22.4
255.06462	7.2
261.11285	7.9
263.12796	8.4
277.09808	4.0
277.14432	3.6
289.05298	7.2
291.15955	19.2
291.26895	9.6
299.05606	5.0
301.14334	6.1
303.15781	6.0
305.17490	38.0
309.27521	4.3
315.05127	4.9
315.08572	9.9
315.15973	6.1
317.17487	8.7
319.15356	4.1
319.19089	5.9
326.26859	5.6
327.27350	13.7
328.72195	3.5
329.06979	4.1
329.17371	3.4
344.27826	3.7
345.28201	17.8
357.20569	8.3
383.22098	10.4
395.22067	4.6
395.74670	3.4
401.23456	8.4
419.24786	5.7
431.24353	7.0
449.25211	7.2
453.12186	4.3
453.26111	6.6
458.39886	3.5
460.73508	3.5
471.27493	19.4
481.24274	6.0
489.28479	100.0
495.12802	4.1
507.29025	41.1
525.13696	20.5
525.22345	29.5
525.30566	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00103	0.5
51.21473	0.5
55.05504	1.4
57.11513	0.4
64.56010	0.5
65.42195	0.5
65.60747	0.5
67.05499	1.7
69.03421	1.1
69.07070	2.1
69.81327	2.4
70.06568	0.6
71.04998	0.9
79.05476	0.8
79.80959	0.5
81.03413	0.6
81.07053	3.9
83.08658	0.6
84.08145	0.6
85.02919	0.8
91.05483	2.3
93.07051	2.3
95.08627	2.7
97.02904	0.9
97.06555	0.8
97.10198	0.5
100.83104	0.5
105.07047	1.7
107.08601	1.5
109.02927	0.6
109.06484	0.6
109.10168	2.0
111.11718	0.6
117.07030	0.5
117.93064	0.6
119.08572	1.0
121.10139	1.8
123.08047	0.4
123.11723	1.1
127.03899	0.6
129.07060	0.5
133.10143	0.8
135.11720	1.2
137.05865	0.6
137.13287	0.7
145.10138	0.7
156.08105	1.8
185.13231	0.5
201.03783	1.4
203.05269	4.4
207.06615	0.7
245.06331	2.2
255.15018	1.0
259.16791	2.1
261.18253	1.8
277.17703	1.1
287.03717	6.6
289.05310	27.7
315.08621	0.7
327.29068	0.7
345.23947	6.2
347.25586	14.5
356.90387	0.6
439.22867	0.9
481.24142	9.4
482.23978	0.5
507.22308	0.6
525.22949	43.5
525.30316	100.0
526.23273	1.5
526.30432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.05511	23.2
57.03432	4.8
57.07072	6.8
58.06582	11.5
59.05000	8.5
65.03942	4.6
66.35936	3.0
67.05506	25.4
69.03429	27.7
69.07072	27.8
70.06590	8.1
70.74041	9.8
71.04996	8.3
72.04499	4.6
73.02906	3.0
74.06073	7.2
79.05498	26.4
81.03419	7.8
81.06577	3.4
81.07061	57.8
83.01326	8.0
83.04985	11.3
83.08611	11.5
84.08118	3.1
85.02915	18.5
85.06539	22.7
86.06052	12.6
86.09730	3.2
91.05486	24.0
93.07047	35.1
95.01337	5.4
95.04968	12.2
95.08620	53.5
95.26226	3.0
97.02876	7.4
97.06528	8.6
97.10160	4.7
98.97565	3.7
99.00831	22.8
99.04454	14.9
99.08103	6.0
101.05991	3.7
103.05465	4.7
105.07028	27.2
107.04928	6.0
107.07949	4.0
107.08605	45.7
107.81662	3.0
109.02880	8.0
109.06513	9.4
109.10184	26.2
110.90623	3.3
111.04486	4.8
111.08074	10.4
113.02385	4.2
113.09665	3.2
117.07034	5.3
119.04956	8.9
119.08599	21.0
121.02863	3.8
121.06526	7.5
121.10149	27.8
123.08036	12.4
123.11702	18.0
125.05998	6.3
125.09667	16.4
127.03900	5.6
127.11144	4.1
128.22951	2.7
129.07048	4.9
130.06525	2.9
131.08574	5.7
133.06487	5.6
133.10127	11.4
135.04427	4.3
135.08069	7.1
135.11639	10.9
137.05959	10.5
137.09616	8.6
137.13231	8.5
139.07567	6.1
139.11153	7.3
143.08582	5.5
144.04485	3.6
145.04976	3.3
145.10114	11.5
146.06001	3.8
147.04436	11.3
147.08041	3.5
147.11682	9.6
149.05978	5.8
149.09570	10.8
149.13301	14.3
151.03912	8.3
151.07516	11.0
151.11067	3.4
153.01831	4.6
153.05446	7.3
155.07072	5.1
157.07600	6.3
157.10095	7.0
159.11725	5.1
160.07611	4.7
161.13277	4.1
163.03871	5.9
163.07561	4.1
163.11192	4.9
163.14865	4.0
165.09131	2.8
165.12778	3.3
167.07001	4.0
173.13264	3.5
175.07524	9.1
177.05441	15.7
177.09111	5.9
179.10654	5.9
181.04987	35.3
183.06575	14.4
185.07085	5.6
189.09076	25.5
189.12706	3.0
189.16464	4.2
191.06990	8.0
191.10756	4.4
191.17874	3.1
193.10358	3.1
195.06541	86.2
203.10626	9.1
207.06532	13.0
209.08092	25.3
216.04225	3.7
217.12108	3.5
221.08060	10.2
223.09673	69.8
235.09679	7.4
237.11241	35.5
239.09195	5.5
241.04958	4.4
247.09741	4.0
249.11316	19.1
251.12724	6.6
255.06569	10.9
261.11121	3.9
263.12772	9.9
275.12875	5.2
277.09683	5.9
284.06763	3.6
287.05539	5.6
289.05191	10.5
289.14325	4.8
291.15829	10.1
291.26770	7.4
293.17542	3.5
299.05515	6.1
301.03406	3.6
303.15863	9.8
305.17499	38.6
308.25394	3.8
313.03214	4.8
315.04980	10.9
315.08691	12.2
315.15952	8.9
317.17438	8.3
319.15604	3.3
326.26727	5.7
327.27277	10.2
329.06573	11.3
331.08029	8.1
344.27982	8.0
345.28299	17.0
357.20651	6.5
371.22150	3.8
383.22211	7.0
401.23169	11.0
407.07120	3.8
419.24384	4.3
431.24152	4.2
435.25192	4.1
449.25089	5.2
453.11798	6.2
453.25934	5.1
471.27527	14.4
481.24197	5.9
489.28311	100.0
507.22067	3.6
507.28802	43.4
525.13647	30.9
525.21967	43.3
525.30524	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01863	9.4
55.05511	22.7
57.03436	7.6
57.07075	9.7
58.06572	6.8
59.04983	10.4
60.94818	4.4
63.76136	4.2
65.03928	5.2
67.05511	35.4
69.03418	15.7
69.07066	30.4
70.06583	5.5
70.19604	4.1
71.04987	7.6
71.60271	5.9
72.04509	8.7
76.24285	4.1
77.54604	5.0
79.05505	31.8
81.03423	9.8
81.06585	4.9
81.07060	100.0
83.04988	6.1
83.08604	15.5
83.66796	4.5
85.02882	18.7
85.06539	43.2
86.06067	11.0
87.04482	4.9
91.05467	23.2
92.56309	4.0
93.07052	52.1
95.04959	13.3
95.08613	76.3
97.02905	22.1
97.06523	10.6
97.10182	6.0
98.97554	4.5
99.00825	14.8
99.04445	14.0
99.08094	13.5
101.06026	10.1
105.07015	32.4
107.08601	39.5
108.86998	4.3
109.02870	9.8
109.06524	7.6
109.10161	48.9
111.08075	14.3
113.05981	3.8
119.04929	4.6
119.08580	17.2
120.08073	5.5
121.02853	4.5
121.06488	7.3
121.10154	34.4
123.08086	6.5
123.11694	30.9
125.09645	12.5
127.03923	6.4
127.11175	5.8
131.08577	6.1
133.10109	15.0
135.04344	4.5
135.08066	6.5
135.11665	24.3
137.05978	12.6
137.09605	5.6
137.13246	12.0
139.07510	6.9
139.11212	7.0
145.02835	5.9
145.10141	9.9
147.04361	8.4
147.11665	9.1
149.05972	8.4
149.09584	7.5
149.13249	26.4
151.03926	4.5
151.07581	4.5
153.05472	8.2
153.12767	9.6
155.06996	5.0
161.05971	5.1
161.13228	7.8
163.03856	4.3
163.07588	4.9
163.14804	9.8
165.09120	4.2
167.07051	5.6
171.07980	8.4
171.11707	7.0
177.05447	26.9
177.09061	6.7
179.17897	5.6
181.05000	38.3
183.06500	10.3
189.09105	31.2
191.06975	6.3
195.06514	59.9
203.10660	6.4
207.06483	12.9
209.08014	16.0
217.19525	11.5
223.09639	36.0
235.09610	6.8
235.20543	10.4
237.11227	37.4
241.21790	4.8
249.11269	39.3
253.21719	8.1
261.11078	5.7
263.12808	5.8
271.83749	4.7
273.25806	7.7
279.26715	7.7
289.05307	7.5
291.26834	16.2
297.27866	6.2
303.15710	6.5
309.28067	21.8
327.28952	10.9
333.30429	4.8
345.28336	7.9
371.22107	8.5
389.23181	29.4
395.22067	4.7
398.93643	4.5
406.93066	5.9
431.24197	16.1
449.25336	15.6
471.27609	22.9
481.24237	8.2
489.28238	39.4
507.21994	8.3
507.29330	85.9
525.14594	4.8
525.22687	35.5
525.30457	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01875	2.3
55.05510	8.7
56.51124	1.7
57.03430	2.7
58.06590	3.4
65.03925	1.8
67.05511	8.9
68.05855	1.8
69.03416	4.5
69.07061	4.8
70.06596	10.4
71.04987	2.2
71.61127	2.2
72.08135	1.9
73.02905	2.1
74.06085	17.8
79.05512	8.8
80.05008	2.8
81.03398	5.5
81.05794	2.2
81.07058	9.1
82.06570	5.4
83.04967	3.3
83.08614	8.5
84.08136	3.1
85.02901	8.2
85.06542	5.2
86.06041	2.5
86.09747	2.1
87.06418	1.6
89.64809	1.7
91.05504	11.9
93.07051	18.2
94.06573	13.9
95.04964	5.6
95.07375	17.4
95.08605	10.0
96.08141	28.1
97.02857	3.2
97.06536	5.1
99.08116	2.0
100.07623	5.6
100.11264	23.6
103.05464	3.3
105.07040	3.7
107.08578	4.9
108.04480	2.5
108.08125	17.4
108.08849	2.4
109.08885	2.6
109.10152	7.7
110.06026	2.7
110.09693	55.9
110.10458	2.9
111.04466	7.4
112.07607	2.2
115.85549	1.5
119.04942	1.8
119.08580	2.7
120.08113	41.7
121.06519	3.0
121.10175	4.3
122.06030	2.0
123.06800	2.6
123.11694	2.3
124.07565	4.2
124.12136	2.1
127.03912	3.1
128.07080	4.6
133.10173	3.1
136.07567	5.3
138.09145	71.3
140.07068	2.8
145.10173	2.1
146.05994	3.6
147.04343	2.8
147.11707	2.3
148.07593	10.0
149.13196	1.7
151.03847	1.9
152.07065	1.8
154.08569	3.9
162.05486	3.0
166.08647	100.0
168.06728	1.6
175.03896	2.0
177.05496	2.7
181.04993	2.1
182.15437	11.2
190.04997	3.8
193.08755	1.8
195.06503	2.8
199.08636	5.5
200.09334	2.3
204.06532	5.6
206.08192	4.1
207.06425	2.5
209.16496	4.7
210.14909	22.0
211.08675	17.3
212.07542	1.6
212.09436	4.9
213.06638	3.9
213.10239	9.8
224.09450	2.7
225.06746	7.8
225.10265	13.0
227.08159	4.3
227.11754	5.8
227.17554	2.4
228.16006	3.3
229.09734	4.4
229.14323	3.7
236.09256	1.7
239.08099	2.5
239.11833	13.1
240.08904	1.9
241.09691	8.2
244.20091	1.8
245.12773	11.2
245.18488	2.0
249.10478	2.1
252.08916	2.7
253.09811	12.2
254.10449	5.2
255.07660	2.5
255.11255	20.6
265.09622	2.4
267.11261	15.0
268.21707	2.1
269.12885	2.5
273.09061	2.0
273.12408	3.6
283.10822	17.8
285.12350	10.6
285.23862	1.6
287.10211	2.1
295.10828	12.0
297.12271	3.2
299.10727	1.8
301.11868	20.3
311.09985	3.1
313.11819	63.0
315.04889	2.7
323.10358	13.1
325.11948	4.4
329.11322	44.0
331.08191	9.1
331.74542	4.5
336.22452	3.0
337.21127	1.9
341.11346	26.7
343.12979	2.9
346.29483	1.7
347.12485	2.0
361.13953	90.7
364.30621	7.4
369.53549	1.9
373.14001	9.7
391.85764	1.9
395.27737	2.5
444.83017	3.0
448.18735	6.1
450.20294	3.0
452.18240	2.1
453.34235	2.9
453.83432	3.6
454.33994	3.3
466.19870	8.3
476.18454	8.3
480.20944	3.5
494.19250	79.5
508.20898	14.8
508.34366	2.3
517.36865	2.0
526.14252	2.6
526.22089	20.0
526.35883	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01862	0.7
55.05511	2.5
56.05037	6.9
57.03439	3.2
58.06605	3.7
60.04521	1.5
60.97646	0.6
61.02925	1.4
67.05513	4.5
69.03431	8.1
69.07066	1.9
69.87981	2.0
69.88410	0.9
70.06593	5.8
71.04989	1.4
72.04517	1.7
72.08170	0.6
73.02920	1.3
73.05315	0.8
74.02448	1.1
74.06083	98.6
79.05492	2.2
81.03415	3.0
81.07064	5.0
82.06593	1.5
83.08627	1.8
84.08152	1.0
85.02909	17.5
86.06078	2.1
87.04485	1.6
87.34835	0.6
88.07638	4.2
91.05482	1.5
93.07055	2.0
93.29988	0.5
94.06559	0.6
95.08620	4.5
96.08117	1.1
97.02898	4.7
97.06540	0.7
97.10216	0.8
98.06069	0.7
98.97564	0.6
99.04453	1.3
99.92502	0.6
100.07590	0.6
103.50919	0.5
103.72517	0.6
104.07138	0.6
105.07030	1.2
107.08613	1.4
109.02900	2.0
109.06506	0.5
109.10170	2.0
114.00539	0.5
121.02827	0.9
121.10153	1.1
123.08064	0.6
123.11704	1.3
127.03931	2.7
133.10170	1.0
134.97266	0.5
135.11728	1.0
137.01874	0.5
138.09048	0.6
140.07112	0.6
145.05043	0.6
145.10115	0.7
147.11691	0.6
149.13297	0.8
160.07573	0.9
172.03964	1.1
173.07144	0.9
177.05499	0.8
192.06471	0.7
193.08649	2.2
211.09897	0.6
265.62952	0.6
266.24924	0.6
280.26468	1.0
282.28009	1.1
284.25980	1.0
292.26227	2.6
298.27258	1.0
310.27457	5.9
325.11887	1.6
328.24762	2.5
328.28500	3.4
331.07864	0.9
346.25925	0.7
346.29538	13.2
353.11319	1.2
364.30597	52.5
365.30838	1.3
406.31577	0.6
494.19052	1.2
508.35046	5.5
515.17841	0.6
526.35913	100.0
527.36310	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	526.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01869	0.5
55.05513	2.0
56.05040	6.0
57.03432	1.6
58.06598	2.2
61.02922	1.6
67.05508	4.0
69.03432	4.3
69.07072	1.9
69.55926	2.8
70.06593	5.5
71.04974	1.0
72.04504	0.5
73.02914	1.2
73.05323	0.6
74.06081	100.0
79.05500	2.1
81.03419	1.7
81.07063	3.9
82.06580	0.5
83.08627	0.8
84.08143	0.8
85.02905	9.1
86.06071	1.2
86.07866	0.5
87.04463	0.7
88.07639	3.4
91.03965	0.5
91.05491	0.7
93.07037	1.7
94.06578	1.4
95.08621	2.9
96.08119	0.9
97.02897	3.7
97.10192	0.7
98.06049	0.9
99.04454	1.0
100.07637	0.8
104.07085	0.7
105.07031	0.7
107.08600	1.2
109.02885	1.1
109.10175	1.2
118.08701	0.6
119.08607	0.5
121.10180	1.3
123.11736	0.8
127.03916	2.4
133.10031	0.4
135.11702	0.6
147.11691	0.5
174.07961	0.5
188.00116	0.5
262.25305	1.0
266.24951	0.6
272.48666	0.4
274.25333	1.1
280.26358	1.2
292.26340	4.5
310.27441	6.8
328.28494	6.7
346.25278	0.5
346.29547	13.2
364.30585	42.9
365.31091	0.9
406.32007	0.7
490.33902	1.1
508.34775	4.6
526.35883	82.5
527.36041	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	526.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.05040	7.0
57.03423	0.9
58.06592	2.5
60.97303	0.9
61.02921	1.5
67.05504	3.6
69.03438	5.2
69.62158	5.5
70.06585	4.1
72.04517	1.2
74.06085	100.0
79.05496	1.7
79.95114	0.7
81.03426	1.7
81.07053	3.0
85.02909	11.0
86.06099	1.9
87.04476	1.4
88.07654	2.7
91.05526	1.1
93.07052	1.8
94.06571	1.2
95.08597	2.7
96.08139	0.8
97.02876	3.7
97.10195	0.9
98.20776	1.4
99.04450	1.3
105.06989	0.9
107.08587	1.3
109.02899	1.8
109.10153	1.4
116.07024	0.8
118.13535	0.9
121.10173	1.0
127.03960	1.6
132.67445	0.9
161.77478	0.8
190.50354	0.9
266.24881	0.9
279.11652	1.0
280.26422	1.3
292.26395	3.5
310.27405	5.2
328.28403	6.1
346.29605	12.3
364.30603	36.6
432.85522	0.9
467.08115	0.9
508.34805	5.5
526.35919	99.2
527.36230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03980	1.5
53.03954	1.7
55.05514	16.4
57.03441	11.2
57.07059	4.1
59.04993	2.4
61.35618	1.2
65.03934	1.7
67.05509	100.0
69.07070	17.1
69.26021	2.4
69.26379	15.7
71.04980	4.4
71.08618	2.1
78.15612	1.6
79.05476	8.8
80.47939	1.7
81.07064	37.9
83.08629	13.9
85.06565	2.8
89.06046	15.1
91.05484	8.2
93.07082	10.7
93.07587	2.2
95.08617	30.9
97.06535	1.6
97.10204	3.3
105.07031	5.9
105.07930	1.4
106.50260	1.5
107.08583	5.8
109.10165	75.3
111.08080	2.4
119.08578	10.1
121.10197	3.1
123.11710	4.0
133.08601	9.5
133.10139	3.1
135.11728	1.9
137.09648	2.4
140.28923	1.5
147.11653	2.1
155.10654	6.4
161.13257	1.9
173.11749	19.8
177.11252	3.3
227.12820	1.7
229.14371	89.9
245.22710	2.8
263.23807	3.5
327.20078	6.6
337.27377	61.0
440.74585	1.8
491.30542	2.7
491.37347	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95497	1.1
51.17791	1.0
51.94186	1.1
55.05506	3.1
57.07077	56.4
64.76372	1.0
67.05504	2.1
67.36816	1.2
67.40852	1.1
69.07073	7.8
71.08633	49.2
73.06551	4.2
79.05474	1.9
81.03403	2.0
81.07056	2.8
83.08617	5.8
85.10185	33.1
87.04474	3.5
89.06034	100.0
91.05492	2.0
93.07033	2.2
97.10172	4.1
98.21529	1.8
99.11724	5.3
100.30129	1.0
107.07081	2.6
107.08585	1.4
107.60033	1.0
111.11723	4.0
113.13311	5.1
117.09142	4.9
125.13342	2.5
127.14836	3.0
130.08698	2.2
133.08607	60.9
145.10143	1.4
161.11732	1.7
177.11227	22.8
208.34238	1.1
221.13899	5.7
227.23886	1.5
229.46526	1.5
239.14944	4.9
265.16455	1.3
271.26279	4.3
283.17557	3.9
315.28937	4.0
327.20151	22.0
366.66412	1.2
421.35074	1.3
441.12704	1.2
465.37811	2.2
488.34906	1.3
492.78592	1.3
509.40582	19.6
526.42407	3.2
527.37115	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44447	0.1
52.73089	0.1
53.55367	0.1
55.05482	0.1
56.05016	0.1
57.03407	0.1
57.10397	0.1
60.04485	0.1
64.68327	0.1
67.05465	0.1
69.03400	0.2
70.06540	0.3
70.87627	0.2
70.87974	0.2
74.06079	2.3
77.01246	0.1
79.05415	0.2
81.03382	0.1
81.07039	0.2
82.07355	0.1
84.04476	0.1
85.02861	0.4
91.05431	0.3
93.06997	0.1
95.08571	0.2
97.02854	0.2
105.06961	0.1
108.02065	0.1
109.02821	0.1
109.78535	0.1
119.04865	0.2
121.10167	0.1
124.98362	0.1
127.03894	0.1
134.06111	0.1
136.01541	0.2
145.02788	0.2
147.04398	0.2
149.05843	0.1
151.03806	0.1
153.01819	1.2
154.02602	0.3
160.07509	0.1
161.94049	0.1
163.03856	0.2
166.08586	0.2
173.05789	0.1
173.07140	0.8
174.07843	0.8
177.05412	0.4
178.02565	0.5
179.06982	0.1
181.04822	0.1
183.09004	0.1
207.06358	0.1
210.00266	0.1
213.05414	0.2
216.04060	0.1
229.04895	0.1
241.04980	0.5
242.05737	3.1
245.04376	0.2
253.04852	0.4
255.02853	0.2
257.04388	0.1
258.05231	2.9
269.04514	0.4
270.05231	10.0
271.05856	0.3
273.03940	1.7
285.03906	0.6
286.04694	1.5
287.05490	5.2
298.04718	0.2
299.05545	0.9
301.03409	2.2
302.00735	0.1
302.04175	2.7
306.07657	0.2
310.27237	0.1
313.03384	1.7
315.04971	42.4
316.05728	5.1
316.09537	0.2
329.06412	0.1
331.08102	100.0
332.08438	1.5
335.10086	0.2
346.29642	0.2
364.30707	0.7
365.30878	0.2
510.20197	0.1
526.35864	0.8
527.15485	2.2
527.22607	0.2
527.36249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1546
Annotation	CHEBI:67642
Peak:m/z	Relative Intensity
55.05474	0.1
60.14046	0.1
67.05477	0.2
69.03395	0.1
70.06576	0.1
71.59901	0.1
74.06082	1.1
75.06401	0.1
79.05451	0.1
81.03407	0.1
81.07024	0.2
85.02859	0.3
86.09652	0.1
89.03903	0.2
91.05427	0.4
92.13710	0.1
93.06997	0.1
95.04934	0.1
95.08579	0.2
97.02858	0.1
97.06488	0.1
98.97533	0.1
105.06981	0.2
107.08549	0.1
108.02055	0.1
109.02834	0.1
117.03376	0.8
119.04884	0.3
122.09582	0.1
127.03902	0.1
131.04895	0.1
132.04474	0.1
133.10095	0.1
136.01486	0.1
137.02333	0.2
137.05952	0.3
145.02856	1.8
146.06007	0.5
147.04411	0.4
149.05911	0.3
151.03868	0.1
153.01822	1.1
154.02557	0.3
156.08046	0.1
160.03871	0.1
160.07564	0.2
162.05429	0.1
163.03802	0.2
164.04460	0.1
164.07030	0.1
164.29692	0.1
167.07217	0.1
173.07101	0.7
174.05431	0.2
174.07846	1.0
177.04053	0.1
177.05470	2.0
178.02600	0.6
179.07007	0.3
197.05975	0.1
203.03316	0.1
207.06654	0.1
213.05432	0.3
214.06233	0.3
228.04117	0.1
228.10081	0.1
229.04904	0.2
237.10623	0.1
241.04974	0.5
242.05734	3.4
245.04385	0.2
252.04030	0.1
253.04927	0.3
255.02823	0.3
257.04489	0.2
258.05237	3.7
259.05792	0.2
269.04556	0.5
270.05234	11.1
271.05743	0.2
273.03946	2.2
285.03983	0.6
286.01852	0.1
286.04764	1.5
287.05493	5.6
288.05820	0.1
298.04764	0.2
299.05466	1.0
301.03421	2.5
302.04224	3.4
303.04443	0.1
305.12811	0.1
306.07681	0.2
313.03455	2.1
315.04984	50.2
316.05725	6.1
317.05966	0.2
317.12897	0.2
329.06537	0.3
331.08112	100.0
332.08502	1.7
334.15497	0.1
335.10172	0.2
346.29541	0.2
364.30487	0.3
365.30902	0.3
386.14944	0.3
486.83978	0.1
491.30246	0.1
509.15668	0.1
510.20483	0.3
526.35760	0.3
527.15558	6.3
527.23016	0.8
527.36438	0.4
528.15656	0.2
554.37067	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	527.1553
Annotation	CHEBI:67642
Peak:m/z	Relative Intensity
50.30649	0.1
51.12517	0.1
51.16778	0.1
56.15156	0.1
63.58162	0.1
67.05445	0.1
69.03314	0.1
70.98328	0.4
74.38689	0.1
79.05462	0.3
81.07016	0.3
82.25599	0.2
85.02852	0.2
87.80708	0.1
91.05447	0.4
107.08617	0.2
109.10111	0.2
111.38585	0.1
119.04927	0.2
121.39747	0.2
131.08549	0.2
136.01463	0.2
137.02332	0.2
137.05920	0.2
145.02805	0.2
147.04315	0.5
153.01817	1.1
154.02591	0.2
158.25809	0.1
174.07851	0.2
175.03998	0.1
177.05437	0.2
178.02554	0.5
179.07094	0.3
183.11581	0.1
213.05522	0.3
216.72885	0.2
224.04601	0.1
229.04961	0.2
241.04874	0.4
242.05736	3.4
252.04257	0.2
253.05092	0.1
255.02827	0.3
257.04730	0.1
258.05246	3.3
269.04474	0.6
270.05240	10.4
271.05783	0.2
273.03983	2.0
273.18457	0.2
285.04013	0.4
286.04733	1.6
287.05493	4.4
288.05960	0.2
298.04776	0.2
299.05536	1.0
301.03436	2.3
302.04205	2.5
313.03430	2.2
315.04990	44.6
316.05750	6.1
316.09546	0.2
329.06421	0.2
331.08121	100.0
332.08447	1.5
347.21881	0.2
527.15540	7.2
527.31940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10715	0.2
55.01867	0.2
57.03432	0.3
61.02919	0.4
67.05510	0.4
69.03420	0.3
79.05492	0.3
81.07089	0.4
85.02887	0.3
85.65643	0.2
91.05468	0.5
93.07024	0.4
95.04967	0.5
95.08550	0.2
97.02879	0.2
97.10091	0.2
109.06524	0.7
113.06019	0.5
121.10162	0.3
124.82498	0.2
135.08037	0.3
147.04405	0.3
147.41954	0.2
153.01843	0.7
154.02585	0.3
159.77539	0.2
178.02628	0.6
179.07095	0.3
203.03398	0.3
205.23367	0.2
214.06300	0.2
217.15738	0.3
229.04941	0.3
229.48837	0.2
241.04910	0.3
242.05750	2.9
253.04840	0.2
255.02888	0.2
257.04401	0.2
258.05237	3.4
259.06018	0.2
269.04480	0.4
270.05234	10.5
271.05914	0.2
273.03891	2.0
273.18481	0.3
279.07718	0.3
285.03787	0.6
286.04730	1.7
287.05484	4.6
288.06564	0.2
291.19574	0.6
298.04968	0.2
299.05573	0.9
301.03406	2.6
302.04230	3.0
313.03445	1.6
315.04993	42.4
316.05750	5.7
329.06540	0.3
331.08121	100.0
332.08472	1.3
527.15521	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	527.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70036	0.3
69.03407	0.4
70.06593	1.3
71.60866	0.5
71.61806	0.3
72.08158	0.5
74.06090	0.4
81.03373	0.4
84.08137	0.4
85.02897	1.1
86.09733	0.3
89.03894	0.5
91.05486	4.7
92.05803	1.7
93.07063	0.5
95.08615	0.3
97.02908	0.6
109.02876	0.4
111.04410	0.3
116.51384	0.3
117.03407	1.5
119.04975	0.7
120.08134	0.4
121.02868	0.5
121.10202	0.4
124.44348	0.3
128.07111	0.3
130.06522	0.7
131.04961	0.5
145.02864	3.2
146.05997	1.8
147.04416	0.7
149.05975	0.5
160.07562	0.9
167.07088	0.5
173.07126	1.4
174.07889	1.6
175.03883	0.5
177.05457	4.3
182.61420	0.3
189.10194	0.4
207.06564	1.2
305.12848	1.1
317.13022	0.8
334.15576	1.4
335.10379	0.5
365.08835	1.0
493.17636	0.9
510.20096	2.0
527.17371	100.0
528.17999	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	527.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.7
57.40068	0.7
58.52678	0.7
59.62627	0.6
60.48560	0.7
65.03930	1.0
67.76746	0.6
68.05030	2.8
69.03427	2.0
70.06588	2.0
70.83602	1.6
70.83955	0.9
71.04974	0.7
72.08144	0.8
72.40268	0.7
81.03429	5.4
81.04536	9.1
82.05319	5.9
83.04932	0.9
83.06104	2.2
84.04504	1.0
84.08158	1.1
85.02888	3.6
86.09737	0.8
91.05482	17.4
93.07034	0.7
95.04990	1.2
95.05490	1.2
95.06095	22.6
95.08527	0.7
98.97588	1.0
99.04459	0.9
103.05412	0.9
109.02889	1.6
111.05570	51.8
119.04949	26.1
121.02863	1.0
123.05560	40.9
125.07124	1.3
127.03923	1.0
132.02121	0.8
134.74516	0.7
141.06592	100.0
143.90111	0.8
145.02893	1.0
146.05995	1.2
147.04414	21.2
150.05501	1.6
157.03979	2.3
159.07658	57.4
173.07120	3.5
174.07901	5.5
175.03917	40.7
177.05458	0.9
179.07059	2.0
192.04143	1.3
207.06535	77.9
234.09052	2.0
244.07854	0.9
262.08664	3.7
264.10236	1.3
277.05008	1.2
290.08078	2.0
292.09729	2.3
300.67123	0.7
303.11862	2.5
317.09058	0.8
318.07465	1.6
321.12817	4.5
335.10086	1.6
336.08655	2.6
347.22531	0.8
351.10767	4.5
353.06619	1.1
353.11523	0.7
358.27942	0.9
369.11865	3.3
494.67477	0.8
509.17560	2.4
527.17834	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01870	6.2
55.05519	26.6
56.96552	2.0
57.03429	7.2
61.02927	18.0
65.03948	4.2
65.07106	1.5
67.05511	33.4
69.03439	12.2
69.07072	15.5
70.33782	2.0
70.34122	6.9
71.04971	4.0
73.02919	5.1
73.35593	2.0
77.03902	2.2
79.05058	1.9
79.05502	34.3
81.03439	8.1
81.03838	1.6
81.07069	39.9
83.04985	7.5
83.08608	9.3
84.08141	2.6
84.58611	1.8
85.02909	17.6
85.06509	2.7
89.74750	1.7
90.37919	1.7
91.03976	9.4
91.05488	55.1
93.07053	34.0
95.04989	10.5
95.08616	25.9
97.02897	11.9
97.06535	8.5
97.10201	7.9
98.97597	2.9
99.04456	2.9
99.08110	2.7
103.05447	5.1
105.07038	41.8
107.04948	6.1
107.08603	20.8
109.02879	2.9
109.06532	13.4
109.10168	10.7
111.04430	2.0
111.08067	6.4
115.05473	5.2
116.06238	2.1
117.03344	2.1
117.07031	27.2
119.04941	5.1
119.08592	22.9
121.06511	9.4
121.10133	10.6
123.04349	2.2
123.08073	8.9
123.11665	1.8
125.09642	6.7
127.03915	7.7
128.06242	13.0
129.07016	19.1
130.07784	9.0
130.08633	1.7
131.08585	55.5
133.06494	9.1
133.10150	18.6
135.08018	4.3
135.11693	7.6
137.05885	1.6
137.09583	4.7
139.11159	4.2
141.07005	6.7
142.07744	6.1
143.08577	56.8
145.02853	2.1
145.04916	2.9
145.06471	3.9
145.10133	60.5
146.06010	2.8
147.04430	3.6
147.08101	9.7
147.11682	6.8
149.05965	1.9
149.09608	4.9
149.13312	3.7
151.07535	3.0
154.07695	2.0
155.08575	6.5
156.09407	1.9
157.10129	18.2
159.08060	5.5
159.11697	18.2
160.08723	1.9
161.09627	14.3
161.13202	2.3
163.03952	2.6
163.11157	6.0
165.07004	2.3
165.09148	2.6
166.07796	3.5
167.07098	3.2
167.08533	3.3
169.10153	12.2
169.15752	1.9
171.08035	2.1
171.11697	15.2
173.07088	6.6
173.09610	4.2
173.13284	4.6
174.07896	11.5
175.03888	2.7
175.11215	6.7
177.05495	6.5
177.12680	4.9
179.07077	2.1
180.09315	3.4
181.10156	11.2
183.11705	6.8
185.09633	1.7
185.13274	4.8
187.11223	3.0
189.09120	2.7
189.12704	3.4
191.10703	2.1
195.11731	16.3
199.11105	3.9
199.14902	2.6
201.12776	2.9
207.06493	3.4
208.12558	1.8
209.11700	2.5
209.13403	2.5
210.75760	1.6
213.12720	4.0
215.12738	2.0
217.08592	14.3
224.27132	1.6
227.17937	6.8
237.16399	19.3
245.18999	7.5
247.79349	1.8
255.17473	22.0
273.18521	56.0
291.19455	3.5
315.05005	9.4
317.09259	2.0
323.09079	3.2
329.21136	4.3
331.08109	25.9
347.22202	100.0
349.27301	2.8
361.06052	1.6
365.23309	5.9
441.24438	3.1
483.25681	3.8
505.11667	1.8
527.16724	3.7
527.24274	10.3
527.31635	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	527.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01869	10.0
55.05516	35.0
57.03431	11.1
57.07065	3.2
59.04974	2.8
60.56527	3.3
61.02929	17.2
62.06813	2.9
63.22534	2.4
67.05508	57.1
69.03429	30.1
69.07065	26.9
69.76763	7.9
69.77172	9.3
70.05048	3.2
71.01360	5.6
73.02908	8.9
73.14055	2.9
79.05498	33.0
81.03421	32.3
81.07059	38.5
83.04977	11.2
83.08626	18.7
85.02908	23.7
91.03939	7.2
91.05476	33.5
93.07048	29.6
95.04978	18.7
95.08605	21.3
97.02892	31.9
97.06528	7.6
97.10173	18.8
98.21394	3.9
99.04462	7.6
101.02390	6.0
103.03939	4.8
105.07040	24.0
107.04965	9.9
107.08607	26.4
109.02879	6.0
109.06507	8.2
109.10147	20.2
111.04445	5.1
111.08072	6.4
117.07037	13.2
119.05003	4.6
119.08585	23.8
121.06486	4.0
121.10152	12.5
123.08067	9.5
125.09639	22.0
127.03910	10.6
129.07008	7.3
131.08571	10.7
133.06508	4.9
133.10136	10.9
135.08038	9.5
135.11720	5.9
143.08589	3.1
145.10132	11.2
147.04422	4.2
147.08049	8.0
147.11673	8.4
149.13252	5.4
151.07591	3.9
157.10129	6.5
159.11719	4.5
161.09659	6.1
163.11188	10.1
165.09198	4.8
169.10201	3.9
171.10216	3.8
171.11702	3.3
173.07149	3.7
173.09628	3.8
173.11763	7.3
174.07883	8.0
175.11208	5.3
189.11232	11.7
193.12302	9.5
205.12035	3.7
211.13277	7.2
223.13295	21.2
227.12935	2.9
229.14310	7.0
249.14885	3.8
266.07727	3.0
273.18445	20.2
275.19839	3.1
283.15494	3.1
291.19553	100.0
309.91873	3.1
310.13049	3.2
331.08005	7.5
347.22247	8.4
365.23224	33.8
407.24179	3.0
475.56699	3.5
509.27350	4.0
527.28412	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03952	4.3
55.01873	3.2
55.05257	1.2
55.05513	20.9
57.03428	2.9
57.07065	2.7
57.24985	0.7
58.05281	0.6
59.05005	0.9
62.18670	0.5
65.03937	2.5
67.05506	43.2
69.03425	2.3
69.07074	11.2
69.46284	4.7
69.72817	0.6
70.16023	0.6
71.04978	2.8
71.08638	1.0
79.05495	33.7
81.03420	38.6
81.07059	33.8
83.04980	4.0
83.08620	15.1
85.06547	1.8
89.06038	1.4
91.05482	27.4
91.80057	0.6
93.07046	28.9
95.04971	13.5
95.08611	20.9
97.02871	1.2
97.06538	2.4
97.10174	9.7
105.04553	1.3
105.07029	21.0
107.04975	3.7
107.08598	17.8
109.06507	2.7
109.10152	13.5
111.04415	1.0
111.08080	4.0
115.05441	2.2
117.07030	10.9
119.08581	18.5
121.06492	2.0
121.10147	12.6
123.04453	0.7
123.08066	2.2
123.11707	2.0
125.09631	6.4
128.06236	1.7
129.07018	11.6
131.08563	16.5
133.06471	2.2
133.08598	1.2
133.10130	10.9
135.08041	1.5
135.11708	9.9
137.09613	1.2
137.13277	0.8
141.07002	2.1
142.07779	1.7
143.08568	8.5
145.10118	12.5
147.08049	2.0
147.11691	8.7
149.09605	2.4
149.13266	4.9
155.08531	4.7
157.08884	1.2
157.10121	10.3
159.11685	8.4
161.09650	1.0
161.13260	5.3
163.11221	0.8
163.14857	1.5
165.12733	0.6
165.30887	0.6
167.08589	2.1
169.10152	5.6
171.11710	6.6
173.11870	1.3
173.13260	5.1
175.11153	3.8
175.14835	2.2
176.94559	1.4
179.08574	1.4
181.10168	2.9
183.11693	5.5
185.13274	5.2
187.14781	3.1
189.11218	4.0
189.16399	0.9
193.12248	18.7
195.11696	2.9
197.13239	3.9
199.14827	2.8
201.16357	1.5
207.11778	0.7
209.13310	1.8
211.14838	2.5
213.16432	1.9
215.18063	0.7
223.14888	0.7
225.16473	1.2
235.14786	1.0
237.16507	0.9
240.91431	0.8
243.21152	1.6
249.14935	2.8
251.17900	0.7
261.22147	5.8
267.15860	0.9
293.22336	0.6
297.18866	0.8
299.23856	1.5
301.22137	0.6
301.25208	2.9
311.24100	0.7
313.21652	0.8
317.24716	1.1
323.23703	0.8
327.23410	1.0
337.25430	0.8
339.27066	0.6
341.24963	1.3
353.24741	1.0
407.33472	0.9
417.31503	2.8
435.32480	9.7
453.33603	10.3
471.34793	8.0
491.35208	1.4
500.98651	0.7
509.36237	5.0
527.37354	100.0
528.37836	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	528.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71411	1.5
55.01868	2.0
55.05512	7.3
56.96560	1.7
57.03450	1.3
57.06815	2.2
57.07077	27.5
67.05502	15.7
68.05829	2.2
69.03410	1.9
69.07061	6.4
71.08626	26.5
71.60025	1.7
73.06557	5.7
79.05496	10.2
80.05813	1.5
81.03416	7.8
81.07057	12.4
82.03719	2.0
82.07415	1.8
83.08614	9.1
85.10181	27.3
85.69177	1.2
87.04472	4.6
89.06030	100.0
91.05470	8.7
93.07044	10.0
94.07392	2.5
95.04978	5.2
95.08621	7.8
96.08968	2.0
97.06528	2.5
97.10168	5.8
98.34903	1.3
98.35637	1.3
99.08099	1.4
99.11694	1.6
105.07017	6.3
106.07367	1.6
107.07121	1.6
107.08592	5.0
108.08898	1.4
109.10159	3.8
110.10432	1.5
117.06989	2.7
117.09111	7.0
119.08572	6.0
121.10131	3.0
125.09624	1.8
129.06996	1.9
130.08664	3.7
131.07074	2.1
131.08559	5.6
132.08902	2.6
133.08604	50.5
133.10175	3.3
135.10161	1.4
135.11743	2.7
141.16432	5.1
143.08537	3.6
145.08292	1.6
145.10126	4.1
146.10503	2.1
149.09679	1.6
152.05666	14.0
155.08559	2.5
156.09012	1.5
157.10100	2.8
159.11662	3.4
161.13342	1.4
170.10498	1.4
171.11752	2.2
172.12064	1.9
173.13268	1.9
177.11195	18.6
185.13260	2.0
185.19046	4.6
193.12263	3.0
221.13789	3.7
221.65785	1.5
229.21567	8.6
273.24265	6.4
327.20166	3.1
371.22900	6.7
408.20493	1.3
436.32977	4.8
454.34354	2.0
472.34967	1.8
510.36389	2.8
511.38596	10.6
528.37769	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	529.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.60227	1.0
55.01879	4.5
55.05512	3.3
57.03446	1.5
59.00375	0.9
61.02917	3.7
65.03941	2.2
67.05499	4.2
69.03430	9.0
69.07057	2.5
70.06595	2.6
70.99637	1.4
70.99954	1.1
71.04981	2.6
72.59967	1.0
73.02921	2.1
75.01616	0.8
79.05497	5.0
81.03423	3.8
81.07062	5.9
83.04965	1.0
84.04501	1.1
84.08150	1.4
85.02906	6.9
85.06514	0.9
86.09693	1.9
91.05485	6.5
93.07038	3.8
95.04962	1.9
95.08613	3.6
97.02908	3.8
97.06545	1.8
99.04475	2.5
105.07040	4.4
107.04974	3.1
107.08588	3.7
109.02848	2.1
109.06583	1.1
109.10167	2.0
111.04455	1.0
111.08125	1.5
117.06997	1.9
119.04976	6.5
119.08607	4.9
120.08085	1.1
121.02873	31.1
121.06504	1.6
121.10148	3.0
123.11696	1.6
125.09707	1.2
127.03909	3.5
130.05049	1.4
131.04953	2.1
131.08601	2.5
133.02817	0.9
133.10165	2.3
135.08070	1.8
135.11694	1.3
137.05901	2.0
145.02847	3.8
145.10107	1.6
146.05983	1.3
147.04366	2.0
147.08061	1.6
147.11720	2.1
149.06027	1.6
149.09683	2.2
151.11197	1.3
159.08058	1.2
159.11713	1.5
161.02303	1.7
161.09615	1.0
163.03918	2.9
163.11151	1.4
165.01907	1.4
165.09109	1.2
166.40637	0.9
167.07056	2.3
173.13203	1.5
175.04021	2.5
177.01941	2.2
177.05490	4.8
181.04997	1.2
189.01868	1.1
190.99738	1.5
191.03412	2.1
191.14302	0.9
195.02898	2.7
203.03435	4.3
205.01295	2.2
207.02872	3.0
207.06610	2.6
209.00778	6.0
215.03467	2.5
217.01363	1.1
217.91803	1.1
219.02866	3.2
221.04443	2.4
221.60460	1.3
223.02394	2.2
231.02971	3.2
233.01050	1.1
235.02368	2.6
239.07025	1.1
243.02968	1.1
247.02325	1.8
249.11244	3.5
259.02457	2.2
259.05768	1.0
261.04004	1.2
267.06516	1.3
270.05194	1.4
275.02069	1.6
275.20065	3.2
279.01355	1.1
279.06543	2.2
282.05115	1.3
283.06030	7.9
284.06808	2.0
285.03998	1.6
293.08151	2.2
294.05219	1.5
295.06003	34.4
296.06937	1.2
297.07617	2.2
303.04807	1.2
307.05975	6.2
308.06754	3.5
309.03952	29.7
309.07550	8.0
310.04825	1.4
311.05502	11.4
313.06970	2.3
319.05930	1.7
320.06680	1.5
321.03949	3.1
321.07584	12.4
323.05573	13.6
323.09079	1.7
325.07144	7.1
327.05200	5.7
331.08231	1.7
332.08401	1.4
333.07568	6.4
335.05493	7.2
335.09238	2.3
337.07169	10.9
337.11115	1.8
339.04971	7.4
339.08658	2.6
341.06516	2.3
347.05667	5.9
349.03265	1.3
349.07056	15.4
349.23761	1.7
351.05069	1.7
351.08743	4.2
353.06537	3.0
361.06985	8.2
363.04807	2.0
363.08810	1.4
365.06540	5.7
365.10541	1.5
367.08084	1.9
367.11908	1.6
367.24667	2.6
373.10950	1.2
375.04935	4.1
377.06396	9.9
379.08221	5.5
381.05853	1.6
381.10132	1.4
387.04977	1.4
389.06570	3.8
391.07794	2.6
393.05939	3.0
397.09460	1.1
401.09790	1.5
405.06006	3.5
409.09241	43.9
421.09302	11.0
423.07123	1.9
433.09399	2.5
435.10745	1.3
439.10233	17.2
447.11002	3.1
463.10251	44.9
465.11731	1.7
475.10284	15.8
493.11322	100.0
494.11362	2.2
511.11942	7.1
529.22058	6.9
529.30157	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	529.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93293	0.4
55.05498	0.8
65.03930	0.7
67.05486	1.1
69.03436	0.7
70.82932	0.7
70.83281	1.0
79.61172	0.6
83.04988	2.9
85.02888	0.6
93.03351	0.7
95.04977	1.0
95.84344	0.5
111.04441	1.3
130.06534	1.0
132.04442	1.1
133.05241	0.5
137.02328	0.8
146.06003	7.5
147.06790	0.6
158.06000	1.7
159.06801	4.1
163.04027	0.5
174.05528	0.6
183.06752	0.6
191.08473	0.9
202.20555	0.6
204.08182	1.2
206.06023	0.8
217.08875	1.4
218.09715	2.7
219.08049	1.7
220.07558	0.6
222.09122	0.7
225.93059	0.5
228.08157	1.6
230.09663	1.5
231.06808	1.5
232.07501	2.8
233.08316	0.9
234.09079	1.0
236.07236	0.7
236.10754	0.6
236.43240	0.6
243.06741	0.6
244.07523	1.1
245.08412	1.0
246.09149	21.5
247.07513	0.7
247.09810	0.8
248.10718	1.5
249.07881	1.5
250.08485	2.9
252.06552	2.8
256.07632	2.3
257.08386	1.8
258.05664	0.5
258.06784	0.5
258.09192	3.7
259.06296	5.7
260.07089	5.7
260.09692	0.6
260.10870	0.5
261.07898	1.5
264.10233	3.3
266.08130	1.0
272.07187	1.0
273.07883	2.4
274.08649	25.9
275.06964	1.6
275.09546	1.2
276.06598	6.5
276.10202	2.7
277.07349	6.3
278.08130	37.0
279.08679	1.0
284.07126	4.5
285.07816	1.6
287.05826	3.9
288.06433	0.7
290.08115	1.0
291.08728	0.6
292.06238	1.1
292.09659	14.2
294.11261	0.8
301.07278	1.1
302.08136	22.8
303.08920	1.1
304.06122	0.7
305.07010	3.4
308.09180	2.9
320.09189	100.0
321.09625	1.3
323.07889	0.6
337.11859	10.2
338.10211	11.5
338.14041	0.9
494.14246	3.5
511.17416	5.9
512.15576	10.7
529.18304	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	529.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83295	0.4
67.05459	0.6
69.03375	0.6
70.89692	1.3
83.04939	0.9
95.04893	0.7
95.12978	0.4
102.16270	0.4
104.04955	0.5
111.04364	1.3
115.05423	0.8
118.06483	0.8
121.02811	0.4
123.04428	4.6
129.06917	1.0
130.06459	1.6
131.04951	0.6
132.04416	0.7
136.10394	0.4
137.02350	15.6
137.03381	1.5
137.05916	0.6
139.03876	0.6
142.06580	0.6
143.04723	0.5
143.07253	0.5
144.08029	0.5
146.06038	3.3
147.04420	3.5
148.98827	0.4
149.83905	0.4
154.05359	0.5
154.06511	7.2
155.07199	1.4
156.08095	5.4
157.04858	0.5
158.05922	1.5
159.04343	0.4
159.06758	0.8
160.07544	1.4
163.03850	0.4
167.07248	1.2
170.04874	0.4
170.06044	5.0
172.03922	1.3
172.07578	1.0
174.05487	2.3
177.05440	0.5
182.06026	9.9
183.06792	4.1
184.07587	4.6
185.07072	0.8
186.05411	0.9
187.08678	1.1
191.08530	1.1
203.03398	0.7
203.08548	0.8
206.09534	0.5
208.26129	0.4
214.07494	0.5
217.08876	1.0
218.07602	0.7
218.09657	6.8
219.08028	1.6
220.07509	0.7
221.08173	0.7
222.08890	0.5
227.08119	0.6
228.08134	1.5
230.09641	0.6
234.09145	1.1
236.06955	0.6
236.10777	0.7
237.07651	0.5
244.07686	0.6
245.08287	0.7
246.09172	10.4
247.07539	2.6
247.09792	0.9
248.10629	0.7
249.07722	2.7
251.07024	0.5
252.10143	1.9
257.08350	0.6
258.09186	0.6
260.07092	0.6
262.08600	2.2
263.09387	0.7
264.10199	21.0
265.07489	0.9
266.08521	0.4
266.11841	1.4
273.07758	1.0
274.08600	5.6
275.09317	1.2
276.10193	2.2
278.08224	1.4
280.09686	2.5
290.08185	1.5
291.08887	0.8
292.09686	100.0
293.09937	2.1
294.11197	1.6
302.08105	6.1
305.06967	0.5
308.09207	1.4
309.07288	0.7
309.12466	0.7
319.10858	1.4
320.09183	35.0
321.09732	0.8
324.79474	0.4
337.07111	1.4
337.11874	5.7
338.10226	8.6
367.28839	0.4
484.16205	1.1
494.14566	2.5
511.17133	2.1
512.15527	12.0
529.18384	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	529.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.4
67.05514	2.3
69.03426	1.2
71.60203	1.2
80.00584	1.0
83.04980	3.6
85.02892	4.3
85.33927	0.9
89.03927	0.9
91.05488	1.9
95.04967	1.0
95.16793	1.0
97.02871	1.3
98.97594	2.0
101.00919	1.2
108.81706	0.9
109.02885	1.4
111.04426	2.4
117.03379	1.1
118.06537	2.3
118.08629	2.3
119.01913	2.8
121.01672	1.1
127.03907	1.6
130.06503	3.6
132.04468	5.2
133.03540	1.3
135.04398	2.2
137.02335	1.5
139.03896	1.0
143.01866	1.3
145.02771	1.7
146.06029	18.0
147.04437	5.3
147.06813	1.2
155.01897	1.6
157.03459	0.9
158.05986	2.4
159.06789	3.9
160.07675	2.4
161.03032	1.3
162.05492	1.7
163.02710	1.1
163.03906	11.1
164.04260	1.1
174.05536	8.9
174.07866	1.4
177.05479	1.6
182.06013	1.8
184.07597	1.0
185.02969	2.8
191.08371	1.1
204.08093	2.1
205.06516	1.4
206.05975	4.1
218.09647	3.4
219.01819	1.6
220.07544	3.1
222.09059	2.0
224.07181	1.1
228.08026	2.2
230.09604	2.2
231.06635	1.4
232.07587	7.4
234.09097	1.6
236.07042	1.6
236.10587	1.7
241.09024	1.0
244.07729	2.4
245.04993	3.1
246.05330	1.5
246.09164	29.3
247.04726	1.5
247.07448	1.5
248.07039	2.5
248.10690	1.4
249.07820	2.7
250.08621	4.5
251.20157	1.0
252.06577	17.4
256.07590	4.4
257.08322	3.7
258.09204	6.5
259.06302	4.0
260.07056	6.8
261.07870	1.9
263.06290	1.3
264.10168	3.8
265.07642	1.7
265.73685	1.2
266.08182	8.1
268.09625	1.2
272.07132	1.5
273.05261	1.4
273.07904	3.2
274.08624	34.9
275.06839	2.0
275.09607	2.1
276.06537	5.8
276.10220	2.9
277.07327	3.6
277.10046	1.4
278.08127	46.9
284.07089	5.8
285.07764	2.0
287.05869	1.9
290.07990	1.6
291.08914	1.2
292.06067	3.0
292.09653	22.1
295.10858	6.2
298.84149	1.0
301.07343	1.2
302.08142	25.4
303.08975	1.2
304.05750	1.0
305.06906	3.1
308.09137	4.0
319.10794	2.0
320.09192	100.0
321.09491	2.0
337.11874	41.8
338.10208	14.2
355.08847	2.4
355.12689	1.8
393.15573	1.1
457.98239	1.2
494.14243	2.8
511.10699	1.2
511.17169	8.7
512.15601	21.6
529.18805	29.4
530.18414	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	529.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.6
58.52761	0.4
62.44885	0.4
65.03934	0.6
67.05475	0.7
69.03443	0.7
69.07106	0.5
69.75666	1.6
69.76070	1.1
70.06583	1.2
81.03396	0.8
83.04962	1.0
85.02898	1.2
91.05460	0.9
91.19800	0.5
95.04935	0.6
98.97564	0.9
105.03352	0.5
105.19989	0.5
107.05064	0.5
109.02856	0.6
111.04418	1.0
118.06535	0.6
119.04901	0.6
121.02887	0.7
123.04438	4.1
127.03891	0.5
129.07008	1.3
129.10255	0.5
130.06540	1.3
131.04869	0.5
132.04443	0.6
135.04401	0.6
137.02339	15.1
137.03380	1.1
137.05963	0.6
146.05994	3.0
146.55901	0.4
147.04416	3.3
149.05943	0.5
151.03877	0.6
154.06508	7.6
155.07281	1.3
156.08073	4.7
158.06012	0.9
160.07535	1.0
162.05493	0.6
167.07294	1.6
170.06006	4.9
172.03937	0.8
172.07503	0.8
174.05499	1.0
175.03935	0.7
182.06007	8.4
183.06807	3.5
184.07576	3.1
185.07014	1.1
187.08644	1.3
188.06984	0.6
191.07121	0.6
191.08600	1.3
198.05457	0.5
203.03432	1.5
203.08542	0.7
205.06364	0.5
207.06538	0.9
210.05359	0.7
217.08824	1.0
218.09622	6.4
219.07996	1.3
221.06142	0.4
227.08203	0.7
228.08112	1.3
230.09586	1.1
231.08319	0.4
233.08336	0.6
234.09090	0.8
236.07051	0.7
238.08591	0.4
244.07716	0.5
245.08382	0.5
246.09169	10.2
246.11476	0.9
247.07500	3.2
247.09874	1.0
248.10764	0.7
249.05437	0.7
249.07661	2.2
250.06190	0.6
250.08632	0.6
251.07146	0.7
252.10220	1.4
256.07541	1.1
258.09174	0.7
262.08704	1.5
263.09277	0.7
264.10196	18.4
266.05627	0.7
266.11725	0.6
274.08603	6.6
275.09302	1.2
276.06934	0.7
276.10236	1.8
278.07999	0.6
280.09637	2.6
290.08112	1.1
291.05939	0.6
291.08960	1.6
292.09674	100.0
293.10019	1.9
294.05185	0.5
294.11243	0.9
295.06012	2.2
302.08148	6.3
305.06796	1.2
308.09134	1.2
309.07489	1.2
309.12289	0.7
311.08911	0.5
319.10794	1.7
320.09158	34.2
325.06958	1.2
337.07138	2.4
337.11829	6.9
338.10110	3.4
339.08649	1.2
367.08066	1.6
379.07828	0.4
409.09161	0.5
413.70245	0.5
427.10074	1.0
484.16281	2.2
494.14441	1.0
512.15375	4.4
529.18597	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	529.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
52.22916	0.5
64.71512	0.5
67.05494	0.8
69.03429	1.1
70.06596	2.3
72.08142	0.6
74.06063	0.5
81.03418	0.6
81.04533	0.5
84.08152	1.4
85.02927	1.8
86.09737	0.6
91.05482	0.8
95.04977	0.7
97.02873	0.6
98.97584	1.4
103.05488	0.6
107.04996	0.8
109.02912	0.8
110.07139	0.5
111.04460	1.1
115.05463	0.9
116.98637	0.6
117.05764	0.6
122.07192	1.5
123.04437	1.3
127.03954	0.7
130.06534	2.3
132.04485	1.4
134.57498	0.4
135.04437	1.2
137.02341	3.5
137.06049	0.6
142.74568	0.5
145.02864	0.9
146.06020	4.6
147.04454	1.3
147.06789	0.8
154.06537	1.0
156.08073	1.0
158.06029	2.6
159.06810	2.3
160.07571	1.5
162.05518	1.3
163.03912	4.7
167.07053	0.6
170.06033	1.1
174.05524	2.8
177.05457	0.7
181.04913	0.6
182.06026	1.9
183.06708	1.0
184.07602	0.7
203.03494	0.5
205.04742	15.5
205.06656	0.9
210.05426	0.5
218.09636	1.6
223.07552	0.6
237.02832	0.6
246.09174	5.1
247.07622	0.8
249.05542	0.7
249.07843	0.6
250.08598	0.7
252.06694	0.8
256.07523	0.5
257.08365	0.5
260.07217	0.8
262.08466	0.5
264.10281	3.2
266.07806	1.4
267.08481	3.9
274.08630	5.4
276.06454	0.5
277.07507	1.0
278.08163	3.2
280.09680	1.0
284.07016	0.7
285.09549	3.3
287.05927	0.6
290.08411	0.6
292.09677	21.0
295.06274	0.5
302.08096	5.2
303.08533	0.5
305.06812	0.9
308.09329	0.8
309.07657	1.3
320.09171	23.7
337.07748	1.1
337.11905	3.2
338.10330	4.2
339.08786	0.6
437.14218	0.9
471.14731	1.4
485.17883	0.6
511.17438	0.9
512.15692	4.5
529.18951	100.0
530.19574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20248	0.4
69.03442	0.6
70.06579	0.9
70.18267	1.8
83.05009	0.5
84.08146	0.6
85.02902	0.9
85.41399	0.5
95.04973	0.5
97.02908	0.9
98.97594	1.2
105.89224	0.4
111.04402	0.7
118.06565	0.8
121.02834	0.6
122.07148	0.9
123.04428	0.6
123.08022	0.5
127.03884	0.5
130.06529	0.5
132.04466	0.7
135.04428	0.5
137.02339	2.3
137.05954	2.0
145.02843	0.5
146.05988	2.4
147.04425	1.2
154.06543	1.2
158.06073	1.3
159.06837	0.6
160.07661	0.8
162.05548	0.7
163.03944	2.5
167.07095	1.9
169.04773	1.2
170.06056	0.9
174.05515	1.6
182.06009	2.0
183.06744	0.8
184.07521	0.5
205.04738	12.7
205.06630	0.8
217.03368	0.5
218.09747	1.2
246.09213	2.7
247.07538	0.5
249.07857	0.5
250.08372	1.9
251.07040	0.5
256.07666	0.6
260.67255	0.5
264.10165	2.3
266.07764	0.9
267.08539	2.9
274.08701	2.9
276.10361	0.8
278.08188	2.4
281.39490	0.4
284.07312	0.5
285.09525	2.3
291.08868	0.5
292.09680	16.7
302.08035	2.1
309.07611	0.6
320.09192	12.3
337.07333	0.6
337.11893	1.5
338.10223	2.6
339.08621	0.6
437.14185	0.6
471.14737	0.9
512.15625	3.3
529.18976	100.0
530.19446	3.3
538.77148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.9
55.01870	18.3
55.05515	31.3
55.28244	3.5
56.96567	5.8
57.03441	25.3
61.02927	39.4
65.03913	5.3
66.10457	3.6
67.05162	5.2
67.05506	78.0
69.03430	33.8
69.07076	37.1
71.04987	9.3
71.61080	6.2
73.02920	20.0
74.72620	3.3
79.05496	65.4
81.03432	26.6
81.07057	100.0
83.04966	18.7
83.08625	23.3
85.02908	47.9
85.06544	4.5
86.91057	3.7
91.03972	22.7
91.05482	56.9
92.11131	4.0
93.07054	65.3
95.04949	20.5
95.08615	39.4
97.02899	40.7
97.06528	41.8
97.10164	14.5
99.04440	8.1
99.08077	9.4
101.02374	7.1
103.03941	6.2
103.05475	5.4
105.07041	64.0
105.46552	4.0
107.04959	17.2
107.08606	46.6
109.02881	13.8
109.06514	17.1
109.10159	25.5
111.08073	7.8
115.51210	4.0
117.07024	16.9
119.04955	5.8
119.08595	47.9
121.06531	11.1
121.10148	21.1
123.08069	10.8
123.11723	10.6
125.09629	15.4
127.03935	14.9
129.07004	10.9
131.08560	27.7
133.10124	32.6
135.08057	11.0
135.11707	14.4
137.09633	5.8
143.08588	12.9
145.04893	4.6
145.10129	28.8
147.04387	6.5
147.11688	27.4
149.09645	22.6
149.13252	14.8
150.33154	4.3
151.11179	5.2
157.10143	10.1
159.11678	20.7
161.13231	10.2
163.11209	11.1
163.14938	4.3
165.12708	5.5
171.10164	4.9
171.11716	11.7
173.09676	5.0
173.13268	10.8
175.11305	5.4
177.05443	5.1
177.12837	4.5
183.11627	7.0
185.13289	6.1
187.11240	7.2
189.11269	8.9
193.12265	4.6
195.13892	11.2
227.12827	12.7
229.19598	4.6
239.17979	5.6
244.09853	4.1
245.13954	5.4
247.20494	7.6
253.17924	5.2
257.19025	12.0
269.17520	19.2
275.20071	83.7
293.13208	5.7
293.21115	5.6
294.17062	5.1
320.09384	5.3
349.23703	80.3
355.15408	4.3
367.24881	43.7
391.24796	4.5
529.34772	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.0
51.42744	2.5
53.03937	7.7
55.01875	18.3
55.05515	20.1
56.96554	2.9
57.03437	16.9
61.02636	3.4
61.02927	41.3
65.03934	3.1
67.05510	48.2
69.03432	29.3
69.06757	2.7
69.07075	30.3
70.06562	3.2
70.30116	7.5
71.01357	4.7
71.04977	7.3
73.02925	24.7
79.05051	3.1
79.05496	45.4
81.03421	23.8
81.07063	100.0
83.04983	8.1
83.08633	15.5
84.08143	3.4
85.02910	44.5
85.06550	6.9
91.03968	21.2
91.05485	38.5
93.07053	38.7
95.04968	13.1
95.08613	35.5
97.02899	29.9
97.06538	21.9
97.10172	6.0
99.04466	7.0
99.08085	5.2
101.02387	7.3
103.03933	2.7
105.04499	2.1
105.07037	41.5
107.04966	9.6
107.08591	24.8
109.02880	6.7
109.06534	22.7
109.10159	22.5
111.04506	2.6
111.08066	4.7
112.24500	2.6
115.05357	2.3
117.07008	9.9
118.11968	2.2
119.04974	2.7
119.08594	27.9
121.06485	10.7
121.10151	16.7
123.04455	2.4
123.08057	9.7
123.11696	8.5
125.09635	9.1
127.03937	17.3
129.05441	3.4
129.07007	4.8
131.08572	14.9
133.10153	22.2
135.08058	4.5
135.11699	8.5
137.05972	2.5
137.09622	5.3
143.08592	5.2
145.04930	3.8
145.10135	10.3
147.04410	4.6
147.08014	2.8
147.11699	28.5
149.09608	16.2
149.13261	8.2
155.08621	4.1
155.11021	2.4
157.10126	10.4
159.11693	12.2
161.13229	6.8
163.11229	14.9
163.14909	2.2
165.12767	9.1
169.10193	2.6
171.11694	5.8
173.13292	7.0
175.11133	3.3
175.14803	3.9
177.12738	6.9
179.14336	3.5
183.06537	4.6
183.11681	3.6
187.11159	3.7
187.14821	2.5
189.11238	4.6
191.10652	2.3
191.14258	3.1
193.12204	3.4
195.13881	2.5
203.14287	2.6
227.12796	5.0
229.14107	3.0
229.19521	4.3
230.14592	2.0
239.17924	3.3
245.13931	3.4
247.20569	6.0
257.19012	14.1
269.17618	2.4
275.20074	79.3
290.50919	2.4
293.21075	25.7
349.23776	24.3
367.24783	53.3
493.28012	3.3
529.34894	12.4
557.26483	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33070	1.0
53.03940	0.9
53.57501	0.8
55.05496	3.6
55.07405	0.9
57.03411	1.2
57.07063	1.7
65.03925	1.2
67.05511	13.4
69.07088	4.3
71.59919	0.9
79.05499	9.0
81.03393	3.6
81.06641	1.0
81.07063	13.1
82.57220	1.0
83.08592	3.9
85.06525	1.0
91.05481	6.8
93.07048	9.7
95.04934	1.6
95.08602	8.7
97.06490	1.5
105.07017	4.3
106.23064	1.1
107.08592	5.3
109.10165	4.9
111.08069	1.0
117.07006	2.2
119.08561	3.2
121.10117	4.2
123.11682	0.9
129.07025	1.9
131.08530	3.5
133.10075	3.4
135.11636	3.1
145.10162	1.5
147.11656	1.8
149.13222	2.6
157.10106	1.1
159.11667	1.8
169.16628	0.8
173.13246	1.2
193.12181	1.4
195.08286	1.2
195.09935	11.0
202.42805	0.8
204.80103	0.9
251.12547	1.5
291.94281	0.9
335.25699	1.4
357.23981	1.9
437.33923	1.6
487.60596	1.0
529.34656	100.0
529.50482	2.8
530.35071	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01880	2.0
55.05516	18.5
57.03447	4.8
57.07078	3.7
57.70457	0.7
60.71146	0.9
65.03950	3.2
67.05508	48.8
69.03422	1.4
69.07074	16.2
69.88721	4.5
71.04996	2.8
71.08634	1.0
79.05499	36.8
81.03419	4.3
81.07060	52.3
83.04995	3.4
83.08633	11.1
85.06574	2.5
91.05485	28.7
93.07053	40.9
95.04988	6.1
95.08614	25.5
97.06523	5.1
97.10200	3.7
98.21479	1.4
99.08133	1.3
99.89883	0.8
105.04520	0.8
105.07035	18.8
107.08605	20.8
109.06544	1.7
109.10178	8.9
111.08098	2.8
111.11698	1.1
115.05478	1.2
117.07019	11.7
119.08588	16.9
121.06533	1.2
121.10156	13.6
123.11754	3.6
125.09683	1.7
128.06265	1.3
129.07005	6.8
131.08585	17.9
133.10130	14.2
133.11043	1.1
135.08133	0.9
135.11707	9.6
135.62634	0.8
137.09689	1.0
141.07060	1.8
142.07878	1.3
143.08583	8.5
145.10130	14.1
147.11703	6.7
149.09641	1.1
149.13249	11.9
151.11237	1.1
155.08618	2.8
157.10168	6.5
159.11693	12.9
161.13307	4.8
163.14905	1.4
167.08662	0.9
169.10136	4.6
171.11700	5.8
173.13283	5.9
175.14900	2.5
177.12807	1.9
181.10172	1.8
183.11772	3.4
185.13255	4.2
187.14900	3.9
193.12267	1.3
195.11868	1.7
195.13879	4.4
197.13361	2.6
199.14912	2.5
201.16463	2.0
209.13345	1.8
210.76755	1.0
211.14937	2.1
213.16614	1.3
215.18082	0.9
223.14743	1.3
237.16360	1.1
241.19690	1.2
243.21019	1.2
256.26489	0.9
261.22223	3.5
299.23627	1.6
311.23883	1.2
317.24927	2.0
419.33347	3.0
437.34335	9.4
455.35422	4.4
467.18604	0.9
473.36560	2.5
493.36810	1.1
511.37610	5.3
529.39038	100.0
529.50653	3.7
530.39551	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03952	5.1
55.01871	2.5
55.05515	20.5
57.03444	4.0
57.07075	2.3
65.03937	4.3
67.05508	68.0
69.03421	1.9
69.06713	1.6
69.07072	22.6
69.26417	3.5
69.26845	5.0
71.04985	4.1
71.08625	1.2
74.43059	0.8
77.03910	1.1
79.05498	55.4
81.03426	5.0
81.07063	75.3
83.05000	4.5
83.08629	13.3
85.06545	3.0
91.05487	37.4
91.06065	1.6
93.07051	66.1
95.04977	9.2
95.08613	35.0
95.09235	1.7
97.06534	8.9
97.10165	2.5
99.08082	2.3
105.04538	1.7
105.07030	23.1
107.08604	37.7
109.06541	2.2
109.10159	11.8
111.08080	5.0
111.11800	1.0
113.06013	0.9
113.09650	1.1
115.05417	1.1
117.07018	12.4
119.08583	14.9
119.09353	1.5
120.60612	0.9
121.06484	1.3
121.10153	29.5
123.08061	2.0
123.11720	4.2
125.09656	1.5
129.07024	4.2
131.08582	19.2
131.09505	1.6
133.10135	13.5
135.11699	15.3
143.08542	4.8
145.10133	11.1
147.11699	6.0
149.09641	1.0
149.13264	25.5
155.08574	1.4
156.09273	0.9
157.10159	5.2
159.11711	16.7
159.73912	0.8
161.13254	4.6
163.11189	1.0
163.14832	2.1
167.14314	1.3
169.10170	1.9
171.10420	1.0
171.11638	4.7
173.13278	4.4
175.14842	2.6
177.12758	4.2
181.10197	1.2
183.11729	1.6
185.13312	2.6
187.14851	2.6
193.12239	1.3
195.11821	1.6
195.13838	5.9
197.13290	1.0
199.14786	1.6
201.16293	1.0
209.13065	0.9
211.14746	0.9
213.14822	1.3
218.23688	0.9
223.14943	1.0
225.16341	1.1
243.21130	1.3
256.26273	1.0
261.22226	4.6
299.23837	1.6
311.23828	1.2
317.24857	1.9
437.34332	4.4
455.35327	2.3
473.36182	1.3
511.37985	1.7
529.38947	100.0
530.39362	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.1
53.03955	7.3
55.01871	2.7
55.05512	19.2
57.03432	4.5
57.07070	3.9
65.03939	3.1
67.05508	60.7
69.07076	22.8
71.05013	5.4
71.05451	1.3
77.03957	1.5
79.05497	55.8
81.03434	1.4
81.07063	81.5
83.04985	4.4
83.08617	11.3
85.06540	5.3
87.04458	1.9
91.05487	35.5
93.07048	66.3
95.04975	5.1
95.08614	32.3
97.06547	8.2
97.10184	2.8
99.08082	2.7
105.04519	3.2
105.07041	18.7
107.08602	28.7
107.09286	2.4
109.06558	2.9
109.10173	13.1
111.08083	4.0
112.33300	1.2
115.05448	1.8
117.07024	11.0
119.08591	14.2
121.06570	1.8
121.10156	24.7
123.08095	2.0
123.11717	2.9
125.09641	1.2
128.06183	1.2
129.07018	3.5
131.08583	21.4
133.10141	12.6
135.11707	15.1
137.13295	1.4
139.11180	1.5
143.08606	3.4
145.10127	12.4
147.11705	7.6
149.12119	2.5
149.13264	23.9
157.10139	6.5
159.11700	15.9
161.13292	4.7
165.12814	1.9
169.10133	1.8
171.11720	4.8
173.13286	6.0
175.14868	1.6
177.12782	3.9
177.16425	1.3
183.11653	1.4
185.13312	3.3
187.14861	2.5
195.12105	1.0
195.13742	6.2
197.13261	2.0
199.14897	1.6
201.16415	1.6
211.14941	1.2
239.18137	1.3
243.21240	1.2
256.26413	2.7
257.30215	1.3
261.22195	5.2
321.79364	1.3
367.30032	1.3
419.33472	1.7
437.34140	7.5
455.35120	2.8
473.36560	1.7
511.37982	3.2
529.39001	100.0
530.39014	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	530.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.7
56.21798	0.8
57.03426	1.4
57.07075	6.0
58.08464	0.8
59.17229	1.0
65.03938	1.3
67.05511	19.7
68.05833	1.4
69.07077	4.6
71.08646	1.0
79.05492	5.3
81.03422	4.5
81.07062	9.5
83.08638	2.9
84.11664	1.0
85.06550	14.0
87.04474	13.1
91.05504	4.6
92.05883	1.3
93.07053	3.9
95.04980	3.4
95.08607	7.3
97.06514	1.0
97.10133	1.7
105.07029	2.6
107.04969	1.2
107.08604	2.5
108.08155	1.7
108.30003	0.9
109.10158	2.0
115.67024	0.9
117.07047	1.2
119.08624	3.1
121.10168	2.3
131.08665	1.6
133.10175	1.3
134.06053	3.8
136.07578	15.2
145.10124	1.3
150.09158	2.1
152.07121	1.6
157.10196	1.2
160.07588	1.7
162.09177	2.0
176.10789	3.3
178.08690	1.6
180.06567	14.3
184.83157	0.9
188.10628	1.3
189.11501	1.1
190.08691	1.4
193.12280	1.7
194.12535	1.1
202.12389	3.7
202.55621	0.9
204.10291	1.2
204.14069	1.0
205.10869	1.3
218.42310	1.0
400.35721	20.9
410.34448	3.9
428.35330	17.0
446.36310	10.2
530.42200	100.0
531.41516	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01870	1.5
56.05026	0.9
60.04511	1.1
65.06214	0.7
69.03426	6.1
70.06597	6.8
71.59805	0.8
72.08146	2.4
73.02931	0.8
75.30364	0.7
81.03416	3.7
82.23186	0.7
83.04996	0.9
84.08150	4.3
85.02901	4.5
86.09699	1.8
90.04190	0.8
91.05470	3.1
93.07025	0.7
95.04966	2.1
97.02895	15.3
98.02066	0.7
99.04462	3.1
101.02377	1.4
105.07035	1.0
107.05019	1.0
109.02889	6.5
110.07155	1.5
111.04460	1.0
117.07027	0.8
118.06541	1.3
119.04935	1.6
119.08507	0.9
123.04398	1.1
125.06000	1.0
127.03927	8.5
129.10300	3.6
131.08551	1.0
132.08037	0.8
133.06461	0.8
137.06009	1.0
140.28522	0.8
143.78618	0.7
145.04985	1.8
145.07599	11.0
146.05984	0.8
147.04410	2.6
153.12756	0.8
160.07578	1.8
161.06068	1.2
163.03815	0.8
163.07451	0.7
163.08719	1.4
167.07048	1.0
174.06749	1.6
175.03915	2.9
175.07532	0.9
177.05482	1.3
177.06955	0.9
194.07234	5.5
201.05400	4.2
205.06516	9.7
206.07176	0.9
207.06526	4.8
207.07948	1.3
209.09656	1.0
219.08136	5.5
220.05267	3.1
221.05957	1.9
222.06779	16.6
223.07513	1.2
233.06046	6.4
234.06760	9.1
235.07571	8.6
236.08359	1.2
237.09100	50.5
239.07079	1.7
245.04491	7.5
247.07550	5.9
248.04662	2.5
248.08377	1.2
249.05510	2.5
250.06242	15.4
251.06999	2.2
263.07071	11.2
264.07724	2.0
265.05301	3.7
265.08594	84.8
266.09232	4.3
267.06500	1.2
276.04001	0.9
279.10178	2.0
280.07288	3.3
281.08194	2.3
282.08884	7.5
291.06519	18.0
292.07156	1.1
293.04459	3.2
297.11218	47.9
308.06802	7.3
309.07526	3.4
313.10727	1.1
323.09143	50.7
339.08578	0.9
340.09509	3.1
341.10202	100.0
342.10272	1.4
369.09625	4.0
369.14203	0.8
369.23688	1.1
427.48779	0.9
449.12296	2.3
485.14371	0.9
531.19794	3.5
531.29291	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	531.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38363	0.7
53.03930	1.1
55.01851	0.7
55.05508	0.7
63.38149	0.5
63.55282	0.5
65.03931	2.1
67.05478	1.3
69.03413	2.1
69.07063	1.4
69.89847	3.3
71.77293	0.6
72.08119	0.6
78.04700	2.6
78.13100	0.7
79.05491	3.3
81.03400	1.9
81.07047	1.6
84.08131	1.1
85.02905	1.5
91.05487	11.1
93.07038	2.1
93.51121	0.5
95.04964	1.6
95.08593	1.5
96.05767	0.6
97.06543	0.9
99.04433	0.7
103.05443	2.3
105.07040	4.3
106.04171	1.5
107.04954	7.2
107.08581	1.4
109.02880	1.3
109.06502	0.6
109.10129	0.9
111.07992	0.7
115.05442	1.1
117.07059	0.7
118.04137	1.7
118.06548	1.6
119.04944	22.3
119.08581	1.1
121.02857	1.0
121.06484	1.3
123.04443	5.0
124.05189	2.6
127.03916	1.2
129.07005	1.7
130.06534	0.8
131.04909	3.2
133.06499	3.4
133.10132	0.9
135.04408	1.2
135.11708	0.7
137.05940	2.0
141.06949	0.9
145.02855	1.3
145.06407	1.1
146.06012	29.3
147.04410	53.9
148.05112	0.6
149.05913	1.0
151.03865	3.0
152.04675	2.2
153.05446	1.3
154.06497	1.3
155.07199	0.7
156.08073	2.5
158.06041	1.5
159.09097	0.7
160.07547	2.1
161.05994	4.6
163.03984	0.8
165.05580	0.8
167.07045	100.0
168.08255	3.0
170.06004	11.1
172.07567	1.3
173.05960	1.1
175.03883	2.0
175.07341	0.7
175.08701	2.7
176.04735	1.9
177.05481	1.4
179.07051	1.5
181.08582	1.8
182.06035	1.9
182.08218	0.9
183.06743	4.0
184.07571	13.7
186.09099	0.8
187.08727	3.5
191.07043	9.7
193.08607	2.4
196.07582	15.6
197.08313	0.9
198.07927	2.0
199.08597	4.3
205.08757	1.4
207.06564	5.4
213.10269	4.8
217.08752	1.7
218.09529	0.9
220.07600	0.6
230.09645	0.9
244.07500	1.0
246.09192	2.4
247.09882	1.4
257.08438	2.0
258.09152	4.0
260.07214	1.5
260.10776	1.1
261.07919	0.7
272.10657	1.1
273.07877	1.1
274.08646	6.2
275.09454	2.7
276.10175	0.8
278.11795	0.7
286.08594	7.8
287.09305	1.8
288.06906	1.3
288.10257	2.6
289.07269	1.9
289.10907	2.0
290.08337	1.5
290.11789	3.4
291.09061	0.9
292.06802	0.8
292.09598	3.5
300.10202	2.5
302.08176	4.6
302.11267	1.1
303.08954	4.3
304.09653	5.6
305.06711	1.7
305.10184	0.8
306.07877	0.8
306.11249	2.2
315.22357	0.6
316.09766	1.1
317.10529	3.1
318.11227	20.0
319.08606	1.0
319.11880	4.9
320.09241	7.9
322.10815	2.3
330.11337	1.5
334.10693	6.7
335.11557	12.0
338.13824	9.3
347.13815	0.8
350.13870	73.3
351.14117	0.8
355.16571	6.2
367.16553	10.4
368.14832	1.0
403.40475	0.6
496.17599	3.0
497.39999	0.8
501.20053	1.8
513.20685	1.3
514.18695	4.3
527.20154	0.9
558.76648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3659
Annotation	Cordianol F
Peak:m/z	Relative Intensity
53.89249	0.8
55.05491	2.5
55.63173	0.8
57.07079	1.3
67.05513	5.5
69.07049	2.8
69.30111	5.8
79.05475	2.4
81.03388	1.1
81.07067	5.9
83.08606	1.8
85.10206	0.9
87.04449	3.2
88.04788	0.9
91.05464	2.2
93.07026	2.9
94.49814	0.7
95.04939	0.7
95.08582	3.6
97.06531	1.0
97.10100	1.5
105.00072	2.7
105.06985	1.5
107.08599	1.1
109.10146	3.2
119.08586	1.2
121.10118	1.2
123.01184	0.9
123.11671	0.8
181.53334	0.7
190.94827	0.6
195.09903	5.3
195.13646	0.9
249.03479	0.8
251.12532	3.6
329.35837	0.8
337.27460	1.3
531.36505	100.0
532.36908	2.3
534.45093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31603	1.3
53.03930	6.0
55.01872	7.7
55.05509	17.2
57.03438	4.4
57.07063	5.7
62.36811	1.4
65.03927	3.5
67.05505	71.6
69.03419	3.3
69.06755	2.0
69.07069	19.8
71.04977	6.2
71.08623	1.8
74.06057	1.3
79.05495	47.3
81.03440	7.0
81.07058	71.4
83.04972	9.4
83.08630	8.1
85.06535	6.7
87.04463	6.2
91.05482	45.6
91.16474	1.4
93.07043	46.0
93.65539	1.5
95.04968	8.6
95.08609	29.6
97.06516	7.0
97.10159	4.0
97.24588	1.2
99.04435	2.6
99.08089	3.2
105.07034	46.6
107.08597	48.1
109.06526	7.2
109.10156	68.6
111.08091	2.4
113.06014	3.2
117.07005	8.4
119.08563	14.2
120.16652	1.4
121.06467	1.9
121.10148	19.9
123.08075	2.3
123.11711	11.9
126.90251	1.4
127.07585	2.8
129.07013	2.1
129.23917	1.4
131.08563	10.7
133.10129	72.3
135.08054	2.4
135.11699	15.1
143.08546	2.5
145.10118	10.2
146.06009	2.4
147.07996	1.8
147.11711	8.4
149.09677	1.5
149.13271	6.0
151.11182	38.1
151.12329	2.8
153.12769	2.1
157.10193	2.7
159.11697	6.3
161.13326	3.8
163.11212	1.7
163.14803	2.1
169.12222	10.4
171.11719	2.2
173.13301	5.8
175.11122	1.8
175.14874	1.8
177.12773	2.0
179.10712	1.9
187.14908	4.1
193.12248	2.1
193.35768	1.3
199.14787	1.4
201.16499	2.1
215.12691	2.1
228.87735	1.7
243.17735	1.8
243.21123	4.5
253.14354	93.7
261.22134	21.1
271.15439	2.2
317.24673	3.5
411.32666	1.7
421.31183	2.8
439.32220	4.4
457.33102	6.9
502.96872	1.4
513.35864	16.0
531.37878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
53.69482	1.3
55.01866	4.9
55.05516	18.5
55.39035	1.3
55.75446	1.6
57.03424	3.8
57.07077	3.9
60.25248	1.2
63.01712	1.5
64.48348	1.2
65.03944	3.7
65.83195	1.2
67.05508	72.7
69.03430	2.9
69.07076	18.7
69.28432	13.8
71.04993	5.7
79.05495	45.3
80.61948	1.3
81.03416	3.9
81.07060	67.8
83.04987	6.4
83.08628	5.8
84.08181	1.8
85.06556	5.6
87.04469	7.2
91.05484	49.1
93.07048	56.8
95.04974	9.5
95.08612	31.2
95.89032	1.5
96.69985	1.2
97.06539	5.5
99.04471	2.4
105.04517	1.7
105.07036	51.4
107.04987	1.9
107.08600	47.4
109.06522	5.4
109.10165	61.2
109.10918	3.0
111.08126	1.6
113.05994	2.0
117.07046	8.9
119.08602	14.1
121.06513	2.1
121.10142	18.3
123.11722	12.3
125.09638	1.8
126.72728	1.5
127.07564	3.4
129.07040	1.8
131.08572	12.9
133.10135	72.5
135.11696	13.0
137.09633	2.2
137.13303	1.5
145.10117	9.2
147.11726	4.3
149.09648	2.2
149.13264	8.3
151.11180	41.4
151.38635	1.6
157.10176	1.9
159.11684	4.0
161.13290	5.5
163.14891	2.5
169.12233	11.3
171.11615	1.7
173.13280	5.1
175.14861	1.8
177.05489	4.4
179.10698	2.5
185.13434	2.0
187.14807	2.0
198.57533	1.5
215.12813	3.5
243.21094	3.6
253.14368	69.4
259.20639	2.0
261.22159	20.6
271.15613	1.6
315.23196	1.6
317.24881	2.3
343.01743	1.5
411.32529	1.6
421.30975	1.8
439.32224	5.6
457.33261	4.4
513.35553	10.7
531.37897	100.0
532.38715	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	531.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03939	6.8
53.51517	1.0
55.01865	3.0
55.05512	34.5
57.03443	6.5
57.07063	3.6
65.03955	5.4
67.05505	82.6
69.03418	1.8
69.07066	31.5
69.88219	1.7
69.88620	3.4
71.04996	8.0
75.61224	1.1
79.05495	54.7
81.03436	2.2
81.07059	100.0
83.04997	5.3
83.08623	18.3
85.06544	4.9
86.17307	1.1
87.04453	1.7
91.04889	1.4
91.05483	40.8
93.07049	53.3
95.04947	5.6
95.08607	92.7
97.06538	12.1
97.10152	5.0
99.08068	2.3
105.04515	1.2
105.07032	34.7
107.08596	29.7
109.06538	2.6
109.10149	21.4
111.08082	3.9
113.09619	1.7
117.07030	8.2
119.08579	31.6
121.10142	22.0
123.08060	4.9
123.11688	5.4
125.09672	2.3
129.06998	2.5
131.08566	14.3
133.10133	19.7
135.11685	20.8
137.09615	3.2
137.13234	5.8
137.61118	1.0
143.08575	2.8
145.10127	12.8
147.11682	11.7
149.13251	7.8
151.11191	1.4
157.10130	3.1
159.11658	9.4
161.13260	27.7
163.14833	4.3
169.64081	1.0
171.11711	2.2
173.13269	7.5
175.14832	3.7
177.16315	1.2
179.14320	9.7
183.11801	1.5
185.13261	2.3
187.14825	3.0
189.16342	2.2
195.13826	2.0
243.21101	2.3
253.17975	23.7
261.22064	8.6
263.23840	1.1
271.19116	1.2
273.22028	1.2
279.23245	1.8
286.02133	1.0
308.60385	1.4
313.25418	1.3
317.24731	2.8
335.25830	12.0
347.25638	1.7
421.34921	2.5
439.35626	6.4
457.36908	3.1
513.39349	9.7
531.40497	76.2
532.40454	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	531.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44392	1.3
53.03946	6.4
55.01870	2.1
55.05515	32.2
57.03436	6.1
57.07077	3.7
65.03933	6.6
67.05510	81.0
69.03429	2.5
69.07074	33.8
69.90400	5.5
71.05000	9.2
79.05500	62.1
81.03433	4.5
81.07063	100.0
82.07417	1.8
83.04984	6.7
83.08630	20.1
85.06549	4.4
91.05490	46.0
91.06063	2.7
93.06462	3.2
93.07053	60.3
95.04996	7.0
95.08612	97.0
97.06535	10.7
97.10160	6.7
99.08113	4.4
105.04548	2.9
105.07044	35.3
107.08601	29.7
109.06528	2.9
109.10162	26.3
111.08121	5.7
111.11726	2.4
113.09681	2.8
117.07027	8.9
119.08585	34.3
121.10155	30.0
123.08087	4.9
123.11730	5.8
125.09732	1.9
129.07054	2.3
131.08574	20.0
133.09166	1.0
133.10133	27.0
135.11703	20.8
137.09644	2.9
137.13278	5.5
143.08624	2.5
145.10133	14.8
146.06097	2.9
147.11673	11.9
149.09668	2.1
149.13271	9.6
155.08614	1.5
157.10165	4.4
159.11716	9.4
161.09712	1.7
161.13293	29.5
163.14871	3.4
169.10103	2.4
171.11714	3.1
173.13261	7.5
175.14890	4.4
175.28130	1.3
177.61824	1.4
179.14307	10.1
183.11813	1.9
185.13309	4.7
187.14931	4.9
188.07132	2.8
189.16418	2.3
193.12276	2.3
195.13739	1.9
201.16446	3.6
217.15894	1.9
243.21231	1.8
253.17961	21.3
253.20132	1.6
255.19621	1.7
256.26544	2.2
257.26767	3.4
258.27286	1.7
259.20636	1.4
261.22232	8.8
277.21576	1.7
299.23703	1.8
314.27704	1.7
335.25845	9.2
406.35992	1.6
421.34976	2.0
439.36166	7.7
457.36890	3.0
484.70096	1.7
513.39374	10.1
522.07874	1.5
531.40533	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
52.68811	0.9
53.03947	7.0
55.01872	3.8
55.05513	37.4
57.03444	6.9
57.07076	3.2
65.03943	5.2
67.05508	89.4
69.03454	2.1
69.04142	1.0
69.07071	31.6
70.17719	3.6
70.18136	2.3
71.05000	9.1
71.26767	1.0
73.06582	1.2
79.05499	57.7
81.03431	5.8
81.07062	100.0
83.04991	5.5
83.08624	22.3
85.06542	7.1
85.10172	1.4
91.05487	48.0
93.07049	68.5
95.04970	7.9
95.08612	95.9
97.06536	13.1
97.10187	7.3
99.08110	3.6
103.05540	1.2
105.04535	2.7
105.07036	37.4
107.08596	33.3
109.06532	4.0
109.10165	25.1
111.08073	5.3
113.09679	2.3
113.55735	1.2
117.07014	10.1
119.08586	34.9
121.06535	1.5
121.10152	23.0
123.08082	4.4
123.11729	8.0
125.09645	1.8
129.07030	3.3
131.08575	17.8
133.10144	27.1
135.11705	19.3
137.09616	3.1
137.13283	7.6
139.11203	1.3
143.08609	3.8
144.09256	1.2
145.10107	11.1
146.06015	1.4
147.11691	10.1
149.09732	1.5
149.13269	7.7
157.10176	3.7
159.11702	9.1
161.13258	29.5
163.14815	3.3
169.10159	1.2
171.11717	3.1
173.13257	6.7
175.14894	4.2
176.99170	1.3
177.12708	1.2
179.14348	10.5
185.13246	2.2
187.14867	3.3
189.16461	1.9
193.12285	2.4
195.00320	3.3
197.13490	1.1
199.14833	1.5
201.16350	1.9
205.15953	1.3
213.16479	2.0
225.40303	1.0
243.21136	1.8
253.15242	1.8
253.17982	23.5
259.20535	1.7
261.22192	11.0
263.23849	1.9
317.24893	2.7
333.24240	2.1
335.25824	11.6
347.25946	1.2
357.82288	1.2
421.34778	2.3
439.22479	1.3
439.35519	5.6
457.36856	4.2
513.39917	8.6
519.37335	1.2
531.26910	5.6
531.40527	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.1
53.03944	5.5
54.72040	0.8
55.01879	2.8
55.05252	1.9
55.05516	33.4
57.03434	5.7
57.07082	5.7
65.03952	4.8
67.05510	81.3
68.05847	1.7
69.03449	1.5
69.07074	31.5
69.54925	5.7
70.07406	1.0
71.05001	5.6
71.08633	2.5
73.02930	1.4
73.06542	1.0
73.12498	0.9
77.00658	1.1
79.05499	55.8
80.05841	1.1
81.03430	11.2
81.07062	100.0
82.07400	1.9
83.04977	5.6
83.08624	22.3
85.06549	6.3
85.10184	2.1
87.04487	3.2
91.05489	40.5
93.07053	54.6
95.04987	9.0
95.08614	87.6
96.08940	1.1
97.06526	10.9
97.10185	7.0
98.99765	0.8
99.08086	4.0
105.00111	6.5
105.04536	2.1
105.07037	31.8
107.08601	27.4
109.06553	3.7
109.10165	20.2
110.09539	0.8
111.08059	5.1
111.11724	1.7
113.09654	1.2
115.05492	1.1
117.07047	9.9
118.06615	0.8
119.08590	30.1
121.06531	1.3
121.10150	24.4
123.08089	4.0
123.11726	7.2
125.09685	2.8
127.07587	1.0
129.07043	2.1
129.09198	1.0
131.08568	13.7
131.13786	0.8
133.10141	23.9
135.11700	17.8
137.09697	2.1
137.13266	6.0
143.08609	2.8
145.10112	10.5
147.11710	9.8
149.09656	1.3
149.13295	8.9
151.11232	2.4
151.14885	1.5
155.08643	1.4
157.10149	4.2
159.11705	10.3
161.09682	1.0
161.13271	20.0
163.14856	3.8
169.10161	1.0
171.11739	2.6
173.13269	5.8
175.11243	0.8
175.14914	3.8
177.16475	0.9
179.14310	7.7
180.06651	1.2
183.11806	1.5
185.13306	1.9
187.14856	2.4
188.07071	1.3
189.16473	1.5
193.12250	5.2
195.13852	2.2
201.16443	2.6
213.16489	2.1
217.16125	1.0
219.17511	1.2
241.19501	1.3
243.21141	2.5
253.15219	1.3
253.18013	16.9
259.20795	1.7
261.22086	8.7
263.23755	2.2
270.67743	0.9
270.70837	0.9
317.24796	2.3
335.25845	8.4
401.36304	2.3
419.05212	0.9
421.35025	1.4
429.35904	1.2
439.35886	6.3
447.36444	1.4
457.37003	2.9
513.39978	5.6
531.40723	72.2
532.41174	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	532.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.05025	0.7
56.96572	0.6
59.74738	0.5
60.08163	6.7
65.03940	0.5
68.54562	0.6
70.06592	0.8
70.93228	0.8
71.07372	2.5
79.05507	0.6
81.03430	0.5
81.07043	1.4
85.02894	1.0
86.09709	31.0
86.94742	0.5
90.66983	0.5
91.05485	1.9
93.07061	0.8
95.04333	0.5
98.98508	3.0
101.70499	0.5
104.10762	3.0
105.07034	0.9
107.08591	0.7
109.02940	0.5
109.10185	0.8
117.05784	0.6
117.07036	0.5
125.00013	20.9
145.02881	0.6
146.06012	1.4
147.06378	0.5
147.11685	0.6
164.07053	0.7
166.41939	0.6
184.07352	100.0
185.07887	0.7
188.07040	1.2
189.07327	0.8
262.04248	0.5
352.13699	0.6
429.12085	0.5
458.17688	0.7
514.29578	0.8
532.30438	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	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05508	1.3
57.03427	2.4
61.02919	2.5
65.03952	1.9
67.05503	1.6
69.03428	5.1
69.07071	2.0
70.06603	6.4
71.04984	2.0
71.60197	1.8
78.04702	3.6
79.05489	8.4
81.03411	4.6
81.07052	3.0
84.08100	2.3
85.02914	11.6
85.06541	2.4
86.09704	3.5
86.24503	1.2
91.05492	12.2
93.07049	4.7
95.04958	2.6
95.08593	3.1
95.69518	1.2
97.02894	5.1
97.06519	2.0
99.04453	1.7
103.05473	4.7
105.07023	16.3
105.07670	1.8
106.04157	2.0
107.04956	16.1
107.08623	3.5
109.02892	3.0
109.06525	3.1
109.10168	1.8
111.08051	1.4
115.05454	4.7
116.06197	1.7
117.07019	4.4
119.04934	5.3
119.08578	5.6
121.06507	3.3
121.10154	2.8
123.04440	4.1
124.05223	4.3
125.06011	1.8
127.03917	5.6
128.06270	2.9
129.07011	6.0
131.04929	5.9
131.08559	9.1
132.05710	3.6
133.06511	7.1
133.10144	50.3
135.08083	2.2
137.05968	4.0
143.08565	3.2
145.02794	3.7
145.04959	3.2
145.06444	2.4
145.10146	3.3
147.04436	4.8
147.08075	2.1
147.11685	4.0
149.06007	2.2
151.03958	1.6
152.04703	3.0
153.05434	2.0
155.07033	1.6
158.10890	2.6
159.08063	7.8
161.06003	9.8
163.03870	2.5
163.07436	1.5
163.11261	2.0
167.07050	100.0
171.07930	1.9
172.05177	1.8
173.13258	25.0
175.03969	3.7
175.07559	23.5
176.04552	1.9
177.05481	4.1
181.04988	1.5
184.05193	1.3
187.07559	19.9
189.09155	3.1
190.07785	1.8
191.07022	7.9
191.08543	2.2
191.14322	18.9
192.07884	1.4
193.10048	1.3
195.91020	1.4
199.07515	11.0
201.05499	1.8
202.07834	2.6
203.08571	1.9
206.07220	1.9
207.06477	6.8
207.08186	1.6
209.08073	2.8
215.08620	2.3
217.08661	2.7
218.07330	2.8
219.01802	2.3
219.08044	2.9
221.09634	3.5
227.12715	1.6
231.08124	2.0
233.09787	2.0
234.06856	2.4
247.07617	1.6
249.09055	3.6
250.09982	2.1
251.06949	1.7
260.08505	2.2
261.09094	5.7
263.07059	3.1
265.08569	1.4
277.08673	3.1
278.09320	2.5
280.36472	1.3
281.11786	6.0
289.08646	3.8
291.10275	1.7
293.11670	2.2
294.08835	1.9
306.08960	1.6
307.09677	1.9
309.11066	6.5
321.11267	8.7
322.11804	2.2
326.11328	2.1
335.18442	1.4
341.13876	19.7
353.13803	8.8
353.19479	1.2
515.88715	1.4
533.21301	4.7
533.29657	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	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01886	1.6
57.03438	1.1
61.02916	1.9
65.03940	0.6
67.05487	0.9
69.03423	5.7
69.42152	4.3
70.06583	1.2
71.04990	1.0
72.08142	0.6
73.02901	1.1
75.85232	0.6
78.04694	3.3
79.05493	10.3
81.03414	2.8
81.07068	2.3
84.17261	0.6
85.02908	14.2
85.06492	0.6
87.04451	0.9
91.05492	6.9
93.07050	1.4
94.04182	0.7
95.04963	2.5
97.02889	6.2
97.06493	0.7
99.04420	0.8
102.02080	0.6
103.05466	2.8
105.04509	0.9
105.07043	8.3
106.04168	1.1
107.04958	21.0
107.08575	0.9
109.02865	2.3
109.06528	1.1
115.05460	4.7
116.06210	0.7
117.03376	0.7
117.07030	2.0
118.04186	1.5
118.72714	0.6
119.04964	1.4
119.08591	3.5
119.09349	0.6
121.06503	1.7
123.04443	5.7
124.05190	4.6
125.05980	1.6
127.03909	2.9
128.06230	2.9
129.07022	6.2
130.04143	0.9
131.04951	5.5
131.08492	1.1
132.05710	2.7
133.06483	6.3
133.10138	2.1
137.05966	2.0
140.96840	0.7
141.06967	1.5
144.05727	1.4
145.03033	0.6
145.04953	1.8
145.06490	1.7
146.06053	0.7
146.27538	0.6
147.04407	2.5
147.08047	3.6
151.03896	2.4
152.04684	2.6
153.05478	1.7
156.05687	1.2
157.06480	0.8
159.08052	4.5
160.05225	2.0
161.05978	7.1
163.07558	1.0
166.08632	1.6
167.07045	100.0
168.07426	1.2
169.06451	1.3
171.08041	1.9
173.05937	0.8
173.13217	0.8
175.04111	0.9
175.06035	1.7
175.07553	32.5
176.04646	1.7
177.05478	2.8
178.07748	1.1
179.07019	1.8
179.08548	0.8
181.06532	0.8
184.05200	2.0
187.07539	14.3
189.07037	1.7
189.09096	2.3
190.07774	2.2
191.07036	9.5
191.08560	1.3
191.14278	2.0
192.07838	0.8
193.08611	14.1
193.10252	1.2
199.07527	10.5
201.09096	3.2
202.07774	2.0
203.08531	3.2
205.06529	0.9
205.10104	1.3
206.07286	2.2
207.06450	2.0
207.08138	1.9
208.08870	0.8
209.08098	1.1
215.08598	2.5
217.08510	0.8
218.07274	4.6
219.08125	3.3
220.08788	0.9
221.09605	1.9
222.10297	0.7
231.08130	3.4
232.08873	2.5
233.09637	6.1
234.06789	2.1
235.07574	2.3
237.08922	0.7
243.08057	2.4
245.05835	1.0
246.06786	2.8
247.07533	2.7
248.08289	1.5
249.09146	4.7
250.09976	1.3
259.07657	1.3
260.08267	1.9
261.09116	6.1
262.09674	1.3
263.07065	2.3
265.08765	1.0
265.12143	0.9
274.06314	1.5
275.07013	1.8
276.07761	1.3
277.08578	2.8
278.09268	3.5
279.06674	1.1
281.11691	4.3
289.08551	7.1
290.09384	2.1
291.06671	1.4
291.09952	1.5
292.07416	0.8
293.08578	0.7
293.11743	4.5
294.08957	1.2
295.09732	1.1
305.08215	0.9
306.08939	2.9
307.09686	2.5
309.11157	6.1
310.11856	1.1
321.11218	14.1
322.12085	2.3
323.09094	1.5
323.12939	1.0
325.14413	1.6
326.11523	1.8
341.09891	0.9
341.13864	14.2
353.09683	1.3
353.13858	18.5
355.15533	1.6
413.13919	1.3
473.20584	0.9
485.16370	0.8
533.16498	1.1
533.29828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47933	4.0
53.03943	6.4
55.01889	5.7
60.54939	4.2
66.81743	4.1
67.05507	5.3
69.03423	18.8
69.07074	6.5
69.36514	20.6
69.36947	18.7
70.06581	9.5
71.05003	5.6
73.02889	4.3
79.05505	14.3
81.03425	10.6
81.07061	19.2
85.02908	19.7
91.05493	21.7
93.07051	11.7
95.04958	5.6
95.08630	6.0
97.02901	10.4
97.06504	5.0
98.97586	5.0
103.05452	4.5
105.07029	20.4
107.04968	15.8
107.08615	24.9
109.06544	13.0
109.10153	8.1
115.04279	4.5
115.05467	4.5
117.06998	4.1
119.04940	8.5
119.08569	11.5
121.10166	13.5
122.07320	4.8
123.08093	6.0
125.09616	4.4
127.03928	10.7
129.07021	5.0
131.05005	7.0
131.08577	4.3
133.06493	10.7
133.10135	100.0
135.04466	7.2
135.08078	15.5
136.19220	4.2
137.05959	9.3
137.09619	72.7
147.04390	10.7
147.11681	6.3
149.09648	5.8
149.13316	7.9
151.03934	4.7
153.05428	5.8
161.05956	12.9
167.07068	49.0
173.13239	6.8
175.07571	18.8
177.05560	11.4
187.07500	7.9
191.07045	8.3
191.14314	48.6
193.08618	15.0
199.07574	11.8
207.06525	7.2
209.15323	6.8
239.73834	4.2
247.07497	4.9
263.07086	5.3
281.11728	5.6
321.11096	9.6
335.22165	5.4
341.13730	9.4
353.13824	10.3
533.18793	8.7
533.28271	17.6
547.00775	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	533.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.55787	1.7
55.01847	2.2
55.05519	31.2
57.03433	5.0
57.07055	5.1
65.03923	5.2
67.05506	74.9
67.65576	1.9
69.07075	28.3
71.04988	5.1
71.08602	2.7
71.60155	2.9
79.05499	34.0
81.07059	100.0
83.04990	3.9
83.08622	19.1
83.40150	1.8
85.06553	5.2
86.58035	1.8
91.05492	28.9
93.07050	29.8
95.04955	2.6
95.08611	80.8
97.06521	8.8
97.10149	8.7
99.08066	2.3
105.07035	22.4
107.08595	17.8
109.06496	2.5
109.10165	22.9
111.08058	3.7
117.07022	3.3
119.08587	25.4
121.10133	12.9
123.08002	2.6
123.11688	8.2
131.08574	3.4
133.10147	18.0
135.11703	11.1
135.48242	2.1
137.09625	3.2
137.13266	7.7
145.10109	2.8
146.02734	1.8
147.11685	5.1
149.13272	4.7
157.10086	1.9
159.11726	2.6
161.13249	24.1
165.09090	2.0
171.11774	2.3
173.13370	1.8
175.14787	4.0
179.14297	11.2
208.37766	2.3
232.49945	2.0
245.22595	3.3
253.17978	20.9
259.90448	1.6
263.23730	4.0
267.84619	1.8
287.55127	1.8
300.81104	1.7
337.27301	8.2
388.17078	2.4
417.16776	3.0
419.22110	5.1
425.81165	1.8
428.63992	1.9
431.18539	3.2
441.37460	3.8
446.20764	7.5
447.21625	3.6
459.38333	2.9
460.22153	1.9
505.25998	2.6
515.40912	7.5
533.25812	40.8
533.34601	4.8
533.42218	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47507	0.3
56.05045	0.6
56.96546	0.4
58.06608	0.6
60.08167	6.9
64.24726	0.2
67.05499	0.8
69.07066	0.3
71.07378	3.2
71.41608	0.4
79.05468	0.7
81.07025	0.5
86.09708	30.6
91.05474	0.8
93.07061	0.4
95.08600	0.4
98.98464	3.2
104.10749	3.8
105.07014	0.4
107.08598	0.4
125.00010	21.8
133.10120	0.3
144.39075	0.3
157.10184	0.2
163.01559	0.3
184.07346	100.0
185.07687	0.5
187.45036	0.2
248.22563	0.3
252.93159	0.2
258.10986	0.2
281.18799	0.3
290.74469	0.2
318.57431	0.2
516.30994	1.3
534.31848	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05029	0.8
56.96590	0.2
57.03406	0.2
58.06611	0.5
60.07866	0.4
60.08165	7.8
67.00521	0.2
67.05502	0.7
68.28931	0.2
69.03413	0.3
69.07031	0.2
69.91885	0.7
69.92305	0.5
70.83029	0.2
71.07375	4.0
71.08611	0.2
72.81318	0.2
76.59437	0.2
79.05505	0.3
79.15923	0.2
81.07060	0.7
83.08636	0.2
86.09708	33.9
91.05482	0.5
93.07031	0.5
95.08644	0.6
97.02931	0.2
98.21481	0.3
98.98473	3.3
104.10748	16.3
105.07058	0.3
106.14414	0.2
107.08615	0.3
109.10180	0.3
119.08585	0.4
125.00010	23.2
131.08646	0.2
143.01088	0.3
148.13341	0.2
164.45651	0.2
184.07347	100.0
185.07700	0.4
244.17332	0.2
258.11093	0.3
369.13721	0.2
385.70819	0.2
516.30725	2.3
534.32086	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	534.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46318	0.9
55.01855	0.8
55.05500	1.2
56.05035	1.9
58.06608	2.1
60.08170	17.2
61.36813	0.8
61.99091	0.7
67.05511	2.6
69.07067	1.7
71.07373	5.8
71.59518	1.2
71.59882	0.9
79.05498	1.7
81.07066	1.8
85.02930	1.1
85.22997	0.8
86.09712	51.0
91.05470	1.5
93.07046	2.4
95.04999	1.1
95.08627	2.1
98.97589	0.8
98.98470	5.2
104.10754	100.0
105.07043	1.7
107.08585	1.1
119.04955	0.8
119.08588	1.2
121.10155	0.8
125.00018	29.9
133.10170	1.2
147.11650	0.8
149.02350	1.7
161.13258	0.8
184.07359	88.7
196.34409	0.7
216.40880	0.7
225.72020	0.8
258.11148	1.1
268.14456	0.7
291.80237	0.7
300.90955	0.7
302.66943	0.6
353.07745	0.9
415.26108	0.8
516.30969	7.2
517.17303	1.1
518.29700	0.9
534.32007	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	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00265	1.1
54.28144	1.0
55.01860	1.3
55.05512	1.3
55.37852	1.0
56.05027	2.0
57.03427	1.1
60.08167	16.4
65.77268	0.9
67.05508	4.1
69.03448	1.4
69.07072	1.3
70.44726	3.6
71.07384	7.1
79.05500	3.3
81.03425	1.9
81.07058	3.9
85.02911	2.0
86.09708	49.4
91.05495	3.7
93.07050	3.7
95.08612	3.6
98.20852	1.3
98.38049	1.1
98.98489	5.5
104.10751	100.0
105.07042	4.1
107.08595	3.0
109.10149	1.6
119.08590	2.3
125.00010	31.1
133.10167	2.1
135.11723	1.6
143.08580	1.6
147.04443	1.8
156.74825	1.2
159.11740	1.3
183.26813	1.1
184.07353	91.8
185.07727	1.6
214.27357	1.1
228.11290	1.2
250.46333	1.4
297.99014	1.2
498.29843	5.3
516.30890	30.4
517.30688	1.2
555.28156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05040	0.6
56.96572	0.2
57.03426	0.2
58.06616	0.4
59.07377	0.2
59.59174	0.1
60.08170	6.7
61.29657	0.1
63.01152	0.2
67.05507	0.7
69.07063	0.5
69.71751	0.3
69.72163	0.7
71.07379	3.5
79.05489	0.4
81.03427	0.3
81.07061	0.6
83.08639	0.2
84.03710	0.2
85.02928	0.3
86.09715	31.2
91.05486	0.5
93.07048	0.5
95.04956	0.2
95.08624	0.3
97.02926	0.2
98.98473	3.7
99.04427	0.2
104.10754	3.2
105.07043	0.3
107.08614	0.6
117.07025	0.2
119.08602	0.3
125.00016	21.6
131.08597	0.3
137.06017	0.2
143.01003	0.2
147.04401	0.3
175.91418	0.2
184.07359	100.0
185.07715	0.5
199.55870	0.2
237.03159	0.2
258.11038	0.3
336.12714	0.2
343.05676	0.2
398.06613	0.2
466.98914	0.2
498.29575	0.8
516.24701	0.2
516.30981	2.8
534.31573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30828	2.4
53.03933	4.6
53.55375	2.6
55.01863	3.2
55.05510	23.7
57.03445	5.3
57.07065	8.0
61.02921	3.1
66.25425	2.5
67.05508	100.0
69.03425	8.5
69.07080	26.5
71.04985	4.9
71.08612	3.4
71.30827	5.3
74.20289	2.3
79.05497	27.9
81.03400	9.7
81.07059	96.0
83.04958	6.5
83.08627	21.4
85.02902	11.2
85.06543	5.1
85.10177	4.5
91.05481	20.8
93.07053	38.9
95.04941	5.3
95.08610	79.6
97.02909	4.4
97.06535	7.3
97.10156	11.1
99.04446	3.2
99.08082	5.8
105.07047	19.5
107.04875	2.8
107.08599	21.0
109.10165	34.5
111.04428	5.5
111.08089	4.7
111.11710	4.5
119.08585	15.5
121.06528	3.0
121.10156	22.6
123.11714	18.1
125.09594	3.7
127.03925	4.6
127.23997	2.5
131.08530	9.8
133.10159	16.9
135.11696	9.5
137.09589	5.2
137.13243	7.9
139.11220	3.0
143.08551	3.6
145.04930	4.7
145.10117	5.1
147.11690	10.7
149.13260	10.7
151.14819	6.7
161.13298	12.8
163.14857	9.1
165.16420	3.3
175.14847	13.1
179.17857	3.3
187.14871	4.4
189.16364	3.6
245.22646	37.3
263.23715	52.9
287.23709	3.0
291.22925	3.6
293.24603	5.9
303.23108	3.4
305.24481	3.4
321.24243	5.2
337.27332	22.2
353.24615	5.0
371.25870	13.5
389.26950	12.7
407.27786	17.0
425.28586	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	535.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	2.4
65.12858	1.6
67.05483	2.4
69.03416	5.8
69.07077	2.2
70.06587	17.8
70.65041	2.8
70.65442	2.9
72.08138	7.0
72.12837	1.6
79.05476	2.5
81.03420	7.9
81.07031	4.0
84.04505	12.4
84.08153	14.5
85.02894	8.2
86.09702	9.1
89.03915	2.0
91.05486	24.2
95.04959	3.7
95.08605	2.2
97.02888	3.0
102.05531	2.5
103.05486	2.0
107.04943	3.1
109.02867	2.2
109.06498	2.3
109.10183	2.0
119.04952	30.1
121.02850	2.8
123.08019	2.5
127.03938	3.4
129.10262	8.9
130.05006	4.5
137.05980	2.3
145.02827	6.9
145.06462	1.9
147.04404	29.8
147.07674	2.0
147.81396	1.8
149.02217	2.0
149.05942	1.9
149.09612	2.5
157.03944	4.3
163.03931	3.3
167.07042	3.1
175.03911	53.7
177.05440	8.8
179.07076	3.0
181.22246	1.6
188.49245	1.6
193.12242	2.1
207.06529	100.0
252.09286	2.4
277.41135	1.7
369.11902	3.9
527.15717	1.8
535.16589	4.2
535.29779	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	536.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
53.17962	1.3
55.01874	1.9
55.05507	6.7
56.84631	1.3
57.03436	2.1
58.99582	20.0
67.05501	7.8
69.03434	5.4
69.07079	3.7
70.06236	2.5
70.06598	33.3
71.05007	2.7
71.39262	1.6
71.39611	2.9
72.51324	1.3
73.02913	1.7
74.00667	1.6
76.02232	100.0
76.04002	4.6
79.05505	8.4
81.02969	2.2
81.03420	27.8
81.07060	9.1
83.04987	8.1
83.06109	3.4
83.08616	7.6
84.04505	27.0
84.08158	2.9
85.02909	4.1
85.04037	3.3
85.06579	2.1
86.09713	2.0
86.99053	4.6
87.04487	2.3
88.02213	2.5
91.05463	13.9
93.07043	7.4
95.04978	8.9
95.08622	2.7
97.02905	3.0
97.06549	3.6
97.10217	1.7
98.97589	1.6
105.01878	1.5
105.07008	8.3
106.04197	2.9
107.04955	3.2
107.08603	3.5
109.06488	2.1
109.10179	2.1
111.08102	3.5
112.02163	1.5
116.01682	23.6
119.04987	2.4
119.08562	8.2
121.06483	2.6
121.10174	4.3
122.02749	2.5
127.03906	2.3
129.07007	2.0
129.10255	1.5
130.04987	15.1
131.08621	3.2
133.10161	4.3
142.03268	10.5
144.01175	14.9
145.02802	1.6
147.11693	6.6
149.06009	4.4
149.09547	2.0
150.05495	9.9
151.07631	1.8
157.10143	5.3
159.11749	1.4
162.02211	50.5
167.06929	1.9
168.06558	3.6
170.02718	5.5
175.03966	1.5
175.11180	5.1
177.03336	6.3
177.05463	4.0
179.04860	97.5
181.08585	2.3
185.03773	2.2
187.05406	3.1
193.12244	16.9
207.06577	4.0
209.08058	7.1
211.13263	29.4
215.04861	3.0
220.37413	1.4
233.05893	22.2
245.06006	2.1
277.60825	1.6
290.07898	2.6
291.06357	3.1
292.55237	1.6
296.06488	2.0
306.07632	2.3
308.09125	78.9
309.07056	1.6
322.07855	1.9
326.06845	1.5
336.02826	1.5
338.23462	2.1
350.07355	1.9
380.08453	2.1
398.09506	2.2
482.11487	3.5
500.12610	3.1
505.37570	1.5
518.22144	2.0
518.28979	2.8
536.23706	6.6
562.41693	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	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38073	0.3
53.00272	0.3
55.05501	0.6
56.05027	0.8
57.03426	0.4
58.06602	0.4
60.08165	6.2
67.05505	1.0
69.07069	0.4
71.07064	0.3
71.07375	2.8
71.19733	0.4
71.20073	0.3
79.05509	0.7
81.03394	0.3
81.07062	1.4
81.53696	0.3
83.08613	0.4
85.02882	0.4
86.09709	32.7
93.07026	0.9
94.38175	0.3
95.08585	0.9
97.02808	0.3
97.10140	0.3
98.97573	0.5
98.97876	0.4
98.98462	3.0
104.10751	3.1
105.07051	0.7
107.08559	0.8
109.06485	0.3
109.10159	0.4
119.08591	0.7
121.10156	0.5
125.00011	22.0
133.10129	0.4
147.04353	0.3
147.11659	0.3
149.04396	0.3
167.05507	0.3
184.07347	100.0
185.07573	0.3
213.48622	0.3
237.02815	0.4
267.00046	0.3
278.98471	0.3
279.04041	0.6
299.05997	0.5
301.09741	0.3
321.04742	0.7
394.21674	0.3
428.51666	0.3
475.38428	0.3
500.31790	0.6
518.32458	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	536.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	37.6
57.03429	8.9
57.07071	27.4
60.08162	9.1
67.05512	44.1
69.07082	56.3
70.62169	15.9
71.08628	14.2
79.05495	37.7
81.07070	52.0
81.82583	6.2
83.08642	40.6
86.09709	36.4
93.07049	25.1
95.08611	68.2
97.06514	6.5
97.10164	34.3
104.10743	54.3
105.07012	8.8
107.08607	29.8
108.08892	6.3
109.10163	27.4
110.11303	6.9
111.08089	8.0
111.11757	9.4
113.09707	7.9
121.10136	50.1
123.11728	11.4
125.00006	19.0
135.11716	34.6
149.13289	15.0
153.71382	6.8
165.16408	7.2
167.05536	12.5
184.07336	75.0
205.30934	6.6
207.42435	6.5
247.24295	44.9
247.26367	8.6
265.25287	71.9
283.26450	12.8
299.06155	27.3
307.50751	7.1
339.29053	100.0
357.30075	19.3
371.90387	7.0
378.01169	6.6
455.57010	7.1
483.71738	6.7
536.37109	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.8
62.98251	5.2
67.05495	16.2
69.07072	22.2
69.46664	3.7
70.77484	12.0
79.05498	7.5
81.07057	30.7
83.08604	11.8
91.05440	7.1
93.07072	20.1
95.08617	40.7
97.10167	5.7
105.07052	12.3
107.08590	22.2
108.31548	4.5
109.10159	44.4
111.08070	4.3
111.11736	9.8
119.08540	13.8
121.10162	26.9
123.11741	22.9
125.09612	8.7
133.10139	10.5
135.11665	13.6
137.13234	11.9
139.84686	4.4
145.10078	6.9
147.11679	11.7
149.13245	10.7
159.11659	5.3
159.67256	3.9
161.13318	7.9
163.14775	13.3
167.05444	8.1
171.10153	14.5
175.14790	7.5
177.16396	6.6
181.12361	4.4
185.13185	4.8
189.16357	6.2
203.14207	6.6
205.19510	16.0
219.21085	9.1
221.15367	6.1
263.20172	7.4
266.41046	4.6
291.19431	6.2
299.06122	14.7
413.34384	5.0
427.35754	10.2
437.34177	6.8
455.35190	31.3
473.30096	8.4
473.36282	100.0
536.33783	4.5
536.42712	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	537.3273
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03943	13.3
55.05507	16.5
57.03452	8.9
58.06602	10.7
67.05504	38.1
69.03442	26.4
69.07063	40.0
69.38812	72.8
70.06598	40.3
71.04996	28.2
72.04523	9.3
79.05512	38.5
79.25942	7.2
79.65170	7.0
81.03408	24.2
81.07062	100.0
83.04967	10.3
83.08625	9.5
84.04497	18.2
84.08159	16.6
85.02903	46.6
85.06548	12.9
86.06072	22.7
88.07642	30.3
91.05479	31.9
93.07030	76.8
95.04962	30.1
95.08617	88.0
97.02905	21.6
97.06537	23.3
99.08105	10.6
104.05322	9.7
105.07027	50.4
107.04901	9.2
107.08611	46.7
109.02866	13.3
109.06541	23.9
109.10152	59.1
111.08094	26.0
119.08570	30.8
121.06567	9.9
121.10137	66.1
122.02765	15.2
123.08072	17.9
123.11671	40.2
125.09634	20.5
127.03957	18.8
127.11220	11.1
131.08585	24.6
133.10158	32.7
135.11681	20.2
137.05977	53.6
137.09648	16.9
137.13290	10.5
145.10095	18.5
147.04434	20.8
147.11742	12.5
148.29578	7.4
149.07188	10.8
149.09587	18.3
149.13290	10.7
151.11154	18.8
153.12766	10.6
154.61462	7.8
157.10147	12.1
159.11685	27.1
160.11290	9.2
161.06000	19.9
167.07062	18.3
167.10649	9.5
169.12230	12.8
175.03957	19.9
175.07521	11.7
177.05498	22.9
177.12605	9.5
181.05000	14.0
195.13831	10.6
199.14812	11.6
206.75296	8.8
207.06465	19.5
269.17566	14.7
285.22168	12.7
287.05627	10.8
303.23340	40.1
321.24167	52.7
339.25308	13.6
375.10858	26.1
537.21368	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	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37824	3.0
53.03953	2.9
55.05511	13.9
57.03441	8.5
57.07080	32.4
61.70501	2.8
65.03943	3.1
67.05515	32.7
69.07079	13.1
71.05016	2.9
71.08645	19.3
71.19056	5.8
73.06575	3.0
74.09708	6.5
79.05096	4.6
79.05502	39.2
81.03429	5.0
81.07059	32.2
83.04990	8.5
83.08622	11.2
83.54963	3.2
85.10182	9.4
88.75014	2.4
91.05481	33.4
93.07052	36.9
95.04975	9.4
95.08616	24.6
97.06518	3.6
97.10172	4.7
105.04532	3.6
105.07031	22.8
107.08583	10.5
109.06538	3.6
109.10172	9.0
117.07001	3.7
119.08585	8.5
121.10222	3.7
128.06177	3.4
129.06992	7.1
132.18811	2.6
133.10100	3.9
145.10194	5.2
147.11703	20.2
161.13297	7.3
171.11760	15.6
181.85698	3.3
189.12775	6.7
207.13849	16.8
221.31447	2.8
239.23770	3.6
279.22943	2.8
281.17523	40.0
281.29608	28.2
282.27914	100.0
299.30695	25.0
313.27383	38.2
381.86694	3.4
519.40399	55.8
537.39362	4.5
537.53662	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.83840	0.6
55.05508	2.5
56.05035	2.9
57.03435	1.3
57.05812	1.5
58.06604	34.7
61.02934	1.2
63.91202	0.6
66.89606	0.5
67.05485	2.7
69.03435	5.2
69.07079	1.1
70.06600	4.9
70.20769	0.5
70.25434	1.6
71.04984	0.7
71.07378	3.4
72.04520	1.6
72.08159	19.6
73.02905	1.2
73.05286	0.8
74.06074	2.3
79.05492	2.0
81.03422	2.3
81.07064	4.1
82.06585	1.3
83.04952	0.7
83.08620	0.6
84.08122	3.6
85.02907	8.8
86.06071	100.0
87.04482	1.2
88.04007	0.6
88.07635	35.8
91.05502	2.2
93.07059	3.1
95.04969	0.8
95.08617	3.5
96.08126	0.6
97.02911	2.7
97.06549	1.0
98.06040	0.8
98.20825	0.7
99.04475	1.4
100.06963	0.9
100.07622	18.6
105.07026	1.6
107.08578	1.6
108.08134	0.5
109.02891	1.6
109.10175	1.3
110.09708	0.6
112.07626	1.0
118.77055	0.6
119.04939	1.1
119.08612	1.8
121.10150	1.4
123.04517	0.5
123.11768	0.8
124.07622	1.1
125.08440	0.5
127.03930	2.7
133.10101	1.1
135.08145	0.6
135.11723	1.3
136.11209	0.6
137.05971	0.9
138.02226	1.1
138.09125	1.1
145.10153	0.6
146.59668	0.5
147.04462	0.6
149.09505	0.5
159.06917	0.5
159.11742	0.6
161.13252	0.5
181.05040	0.7
197.74806	0.5
207.06612	1.2
208.14523	0.5
294.28058	1.0
304.26266	4.7
322.23801	1.6
322.27390	18.8
340.24850	1.8
340.28461	21.6
358.25793	2.3
358.29550	13.5
376.30582	6.0
502.33786	28.6
503.33923	0.7
520.34888	54.6
521.35278	1.7
538.35919	11.8
549.76129	0.5
551.87048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
54.00921	3.8
55.05504	14.3
57.03426	7.8
57.07061	10.3
59.04986	4.1
65.03935	4.0
66.99018	3.6
67.05508	31.0
69.03419	12.8
69.07070	70.1
70.06586	7.9
70.91673	8.0
70.92010	5.5
71.04994	8.9
79.05505	27.1
81.03412	11.5
81.07060	85.0
83.04990	6.0
83.08625	11.4
84.08112	5.3
85.02891	17.9
85.69684	3.8
91.05483	33.5
93.07052	100.0
95.04962	16.3
95.08614	72.4
97.02880	7.4
97.06538	7.0
97.10199	8.8
101.31032	4.0
101.55105	4.0
105.07038	33.4
107.08599	42.3
109.06518	10.5
109.10163	44.4
111.08066	13.0
111.11723	9.0
119.08587	17.4
121.06517	7.0
121.10152	68.9
123.08086	9.6
123.11712	28.9
125.09662	11.3
131.08640	8.8
133.10135	22.6
135.08081	6.6
135.11700	14.6
137.05978	4.8
137.09581	10.6
137.13251	15.1
139.11168	17.5
145.10121	15.1
147.04465	4.6
147.11665	12.0
149.09624	10.5
149.13309	6.8
151.11189	11.2
155.10667	5.1
159.11758	8.6
161.13289	6.6
163.11139	4.1
165.12758	4.5
167.10677	43.7
171.11694	5.8
175.14847	7.1
189.16400	3.9
193.16110	5.0
197.11778	9.3
199.40329	3.8
207.06412	5.0
217.16275	4.6
269.22589	8.8
287.23615	30.2
293.24927	7.1
305.24783	58.2
323.25827	71.6
520.36548	9.3
539.27997	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	538.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.62538	0.6
55.05502	1.7
56.96553	0.9
57.07071	0.9
58.84370	0.7
67.05502	3.5
69.03419	0.8
69.07057	3.1
70.06587	1.3
71.04994	1.6
71.60011	1.3
74.06094	0.8
79.05499	5.4
80.01375	2.6
81.03424	1.1
81.07064	5.2
83.08617	0.7
85.02925	1.0
91.05482	3.3
93.07046	2.9
95.04963	1.5
95.08611	3.4
97.02885	1.1
97.06523	0.9
98.97528	0.8
105.07038	1.9
106.06557	6.2
107.04969	1.2
107.08601	2.6
108.08133	1.2
109.10153	2.8
110.97541	0.9
116.04993	2.6
119.04982	1.3
119.08584	1.1
121.10140	1.9
124.07578	1.7
127.03954	0.7
132.08099	0.8
133.10042	0.8
134.06023	36.9
135.11714	1.2
136.07581	6.8
137.08365	5.6
140.07062	0.9
140.16768	0.6
145.10187	1.0
147.04431	1.6
148.07605	2.4
149.05952	0.8
150.09163	1.7
151.09917	1.0
152.07088	16.2
153.86124	0.8
154.08658	1.8
160.07567	1.1
161.08440	1.2
162.09189	3.2
166.08679	2.5
167.07033	0.9
168.06714	0.8
174.09164	2.1
175.09976	1.3
176.07059	1.1
176.10739	3.2
177.05486	1.0
178.08650	14.1
178.12370	0.8
179.09450	4.8
180.06598	5.1
180.10202	11.0
182.08186	1.4
187.09943	0.8
188.10704	3.8
190.08731	1.1
190.12305	1.5
194.08119	1.4
194.11823	2.4
200.10719	1.2
202.12267	5.7
203.09230	0.8
204.10222	2.6
206.08142	29.7
206.11732	1.1
208.13371	2.1
214.12347	0.9
216.10165	1.2
216.13889	0.8
218.11789	2.5
220.13365	3.6
224.09161	5.8
230.11778	3.5
230.15569	0.7
234.14966	1.0
236.09219	1.9
238.10748	2.0
242.15514	0.8
244.13409	0.9
248.12979	1.7
266.13834	1.4
280.15439	5.0
292.15424	6.7
306.17151	1.2
350.38522	0.7
383.14807	1.0
412.31976	1.4
422.30615	1.8
436.19382	0.7
440.31317	2.4
440.35751	2.5
458.32190	1.2
466.14963	1.0
484.34274	27.0
484.41422	1.4
485.34555	1.1
486.38501	0.8
502.35327	64.7
503.35529	1.6
520.36389	69.5
521.36829	1.9
538.37427	100.0
539.24701	1.3
539.37921	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
57.03450	0.6
57.07065	2.0
58.18390	0.4
59.04988	0.6
67.05504	2.1
69.03419	0.7
69.07068	1.3
71.08633	1.4
79.05504	1.5
79.13679	0.4
81.03409	0.5
81.07047	2.2
83.08618	1.0
85.10175	0.9
89.86223	0.4
91.05479	1.0
93.07056	1.7
95.04971	0.7
95.08597	2.3
97.02943	0.8
97.10162	0.5
105.07043	0.9
107.08604	1.2
109.02904	0.9
109.10175	0.4
111.04463	1.2
113.63202	0.4
117.06986	0.5
119.08576	0.7
121.10155	0.9
122.76905	0.5
123.11691	0.7
126.47393	0.4
133.10144	0.6
145.10081	0.8
163.11258	0.6
209.11757	2.9
227.12634	0.5
239.23688	0.7
283.15500	1.5
313.27420	0.8
321.22775	0.7
436.23947	0.5
521.38239	0.8
539.31934	100.0
540.32184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01865	3.1
55.05510	12.5
57.03437	10.3
57.06817	2.2
57.07078	33.2
67.05508	21.1
69.07076	12.2
71.05004	1.9
71.08632	22.1
71.60148	2.5
78.06271	1.7
79.05500	23.1
81.07060	26.9
83.04991	4.3
83.08622	10.1
85.10181	12.1
89.05991	2.5
91.04958	1.7
91.05485	7.5
93.07045	34.2
95.04952	4.1
95.08610	44.8
97.02885	3.1
97.06503	4.0
97.10184	3.8
99.04451	5.4
103.07599	2.6
105.07043	5.9
107.04953	8.6
107.08594	24.8
109.10171	9.9
111.04426	2.0
111.08092	1.9
117.07004	8.1
119.08606	10.3
121.06514	6.4
121.10134	12.3
123.11691	3.9
125.05970	2.5
129.47208	1.5
130.07881	1.8
133.10132	3.2
135.08063	1.8
135.11697	39.6
145.10129	21.3
163.11186	50.7
181.12187	9.8
209.11742	1.8
220.54488	1.4
227.12779	100.0
239.23802	2.4
283.15375	42.1
313.27356	83.9
521.38373	56.5
521.44183	1.0
521.46222	1.7
526.75238	1.9
540.52985	1.9
550.82452	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	540.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
54.16363	0.6
55.01867	2.0
58.25592	0.6
65.03942	3.2
67.05509	1.7
69.72867	4.1
70.06586	0.9
74.06072	1.9
75.04494	3.8
77.03934	1.2
78.04706	2.6
79.05485	2.2
85.02914	3.7
89.03937	0.7
91.05484	12.6
93.03413	11.6
93.07048	6.1
95.04993	4.5
97.06517	2.5
101.66177	0.6
103.05462	5.5
105.03365	0.8
105.04552	0.9
105.07019	1.1
106.04178	31.5
107.04963	1.9
108.05714	0.8
109.06496	0.9
117.03374	1.3
119.04947	1.4
121.06512	30.4
123.04405	1.4
125.05991	8.1
131.04941	1.2
134.03650	4.5
135.04388	1.1
137.05998	4.6
138.06796	1.2
139.07521	2.7
145.02809	0.9
147.04396	1.0
148.05168	2.9
149.05988	45.1
151.03918	0.8
151.07573	2.4
153.05484	1.9
153.09120	10.8
156.63202	0.7
162.01305	1.4
163.04016	0.8
163.07524	2.1
165.05450	1.3
166.06206	1.3
167.07011	3.9
177.05478	24.9
181.07027	1.5
181.08595	21.8
181.10191	1.4
191.07034	2.7
193.08649	1.1
208.01857	0.8
209.08096	100.0
223.04248	6.5
342.26343	1.8
360.27377	1.3
378.28516	2.2
395.86182	0.8
415.13290	0.7
504.31393	0.9
522.32611	1.2
526.05994	0.7
540.33606	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	540.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.37307	0.7
55.01868	2.0
56.05048	0.6
58.06578	1.2
61.02906	0.7
65.03925	2.5
67.05499	1.7
69.03407	1.1
69.27499	5.9
70.06577	1.7
72.04505	1.4
74.06082	10.2
75.04486	3.1
78.04717	2.4
79.05482	2.5
81.03413	1.2
81.07053	1.7
85.02909	6.5
86.06070	1.8
89.03932	1.4
89.06023	1.1
91.05492	11.8
93.03405	11.2
93.07052	5.0
95.04977	4.5
95.08609	1.6
97.02869	1.1
97.06576	3.2
103.05471	5.5
105.04527	0.7
105.07018	1.8
106.04180	28.0
107.04953	2.2
107.08592	0.8
109.06516	0.8
109.10168	0.8
111.04427	0.7
117.03358	1.2
117.75337	0.7
119.04948	1.3
120.05656	0.7
121.05638	1.3
121.06519	26.3
123.04384	0.8
123.08100	1.0
124.05196	1.2
124.07607	0.8
125.05986	9.1
127.03944	0.7
131.04929	2.4
133.06487	1.0
134.03647	4.0
135.04434	1.0
137.05992	3.6
137.06895	0.7
139.07518	2.3
147.04372	1.0
148.05205	2.1
149.05992	39.9
151.07556	2.3
152.08334	1.1
153.05482	1.5
153.09114	10.0
163.03848	1.0
163.07559	1.8
166.06311	1.0
167.07060	3.9
177.05476	21.4
181.08597	17.9
191.07050	2.4
207.06523	0.9
209.08101	100.0
210.08575	0.8
223.04253	4.8
273.11197	1.3
306.24161	1.1
313.79385	0.7
324.25317	2.1
342.26431	5.2
360.27515	5.5
378.28430	4.5
387.14914	0.7
504.31439	1.1
522.32581	3.6
540.33673	6.1
564.23651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.01868	1.2
55.04254	0.8
55.05518	3.7
56.05030	2.5
56.96563	0.6
57.03445	3.6
57.07079	0.8
58.06606	32.3
59.03730	1.2
61.02920	1.8
62.22020	0.6
67.05507	5.2
68.45612	0.6
69.03440	7.4
69.07084	3.8
70.06589	5.8
71.04990	1.0
71.61330	1.0
72.04518	1.2
72.08177	4.1
73.02905	2.1
73.05297	1.1
74.06086	19.1
79.05506	4.4
81.03433	3.5
81.07061	7.6
83.04975	0.8
83.08620	2.1
84.04498	0.9
84.08160	4.6
85.02907	13.0
86.05636	0.7
86.06065	3.8
86.09703	1.6
87.04493	1.9
87.06851	0.7
88.04005	12.5
88.07637	96.7
91.03978	0.8
91.05479	4.5
93.07031	3.8
95.08617	6.4
96.08121	0.7
97.02892	5.4
97.06560	0.8
98.06076	0.8
98.97610	1.2
99.04482	1.4
100.07629	1.4
100.11292	1.0
102.09198	6.5
103.81966	0.7
105.07046	2.1
106.04173	2.1
107.05016	0.7
107.08632	2.2
108.08155	0.8
109.02895	2.6
109.10174	2.5
110.09669	1.6
110.89568	0.7
111.08121	0.8
119.04965	1.8
119.08595	0.9
121.06519	1.4
121.10140	2.9
123.11751	1.6
126.09216	0.9
127.03926	3.8
131.08633	1.1
133.10138	1.2
135.11726	2.2
137.05997	1.4
139.11171	0.8
140.06903	1.4
145.02850	1.8
145.04951	1.1
147.04402	3.2
149.06003	2.9
149.13307	0.7
154.31453	0.7
163.03947	0.9
168.17554	0.8
175.03973	2.2
177.05519	4.4
179.24611	0.7
181.05101	0.8
181.08667	0.9
190.04549	0.7
207.06604	3.0
209.08076	4.8
219.01888	0.9
237.02838	1.1
259.08652	0.8
274.67923	0.6
280.26483	1.7
294.27884	1.3
306.24579	1.0
306.28046	2.3
312.28918	0.8
324.25482	2.3
324.29095	3.5
342.26743	4.9
342.29822	4.7
360.27472	8.1
360.31326	11.9
378.28485	17.3
378.32410	20.8
455.12164	1.5
522.36902	6.9
531.61200	0.9
540.37616	100.0
541.22205	1.2
541.37921	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	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.1
53.03946	9.6
55.01866	3.1
55.05517	25.8
57.03426	2.9
57.07079	10.1
59.04990	0.8
65.03938	4.5
67.05508	74.4
69.03430	2.5
69.07072	17.0
70.06590	7.7
71.04996	3.1
71.08633	4.6
71.29938	1.5
73.02924	1.4
73.06573	1.3
77.03937	1.5
79.05498	100.0
81.03429	7.2
81.07063	68.0
81.07559	1.9
83.04987	10.7
83.08626	10.5
85.06555	2.6
85.10188	2.8
88.07631	10.0
89.08005	0.8
91.05056	1.5
91.05485	65.4
93.07049	83.2
95.04966	19.6
95.08611	44.3
95.09235	1.7
97.06535	5.0
97.10158	5.2
99.08093	1.4
102.09180	7.8
103.05467	1.3
105.04547	3.3
105.07036	44.6
107.04955	6.5
107.08596	33.0
109.06528	5.8
109.10155	11.5
111.08089	2.0
111.11693	1.0
115.05500	2.2
117.07026	10.5
119.08585	26.1
119.98307	0.8
121.06515	2.2
121.10154	20.4
123.08067	4.4
123.11732	2.3
125.09616	0.8
127.07548	1.0
128.06239	3.9
129.07014	14.4
130.07800	1.8
131.08574	13.6
133.06488	1.5
133.10138	13.7
135.08073	0.8
135.11700	11.3
141.07011	1.8
141.09138	1.2
142.07813	0.8
143.08569	8.6
145.10130	11.5
145.11148	1.2
147.08081	1.9
147.11702	31.1
149.13277	5.2
150.59109	0.7
151.11182	1.0
155.08549	1.6
156.09402	1.6
157.10121	3.7
159.11746	6.3
161.09642	2.5
161.13261	13.0
163.11121	1.0
163.14865	1.2
169.10173	3.0
171.11699	26.7
171.13109	1.8
173.13332	3.4
175.14870	1.5
179.14322	1.6
181.10168	0.8
183.11705	1.8
185.13301	1.8
187.14806	1.8
189.12775	8.1
197.13295	1.4
199.14940	1.1
207.13815	23.1
207.15697	1.4
225.14877	1.3
243.21135	1.3
256.26413	15.1
257.26688	8.7
259.20743	1.1
261.22226	3.4
274.27585	1.4
281.17688	1.2
283.26349	5.5
284.26727	2.1
284.29611	3.7
285.29910	1.9
311.29483	15.4
312.29822	10.6
317.24850	2.5
365.20645	0.8
449.34274	3.1
540.53491	14.2
540.80072	0.9
541.39032	71.9
541.53723	46.7
542.39240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.3
51.25744	0.9
53.03949	10.1
55.01865	4.4
55.05264	1.3
55.05515	22.9
55.44209	1.1
57.03436	2.1
57.06858	0.9
57.07077	9.4
64.86411	0.9
65.03933	4.4
67.05506	76.9
69.03449	2.3
69.07070	20.7
69.30759	9.3
70.06592	4.7
71.04994	3.9
71.08627	5.6
77.03915	1.8
79.05495	100.0
81.03420	9.0
81.07059	70.7
83.04983	13.5
83.08630	10.5
85.02873	1.2
85.06541	3.0
85.10187	2.3
88.07640	5.2
89.99276	1.0
91.05485	66.8
93.07047	91.5
95.04970	18.5
95.08611	45.5
95.09230	2.0
97.02854	1.2
97.06517	7.9
97.10175	5.0
99.08097	1.7
102.09209	3.8
103.05483	1.5
105.04524	4.0
105.07030	46.0
107.04952	5.8
107.08592	32.2
107.09274	1.9
109.06531	5.5
109.10164	13.6
111.08085	1.6
115.05457	1.6
117.07010	12.3
119.08590	31.1
121.06514	2.4
121.10148	24.2
123.08077	4.7
125.09652	1.5
128.06242	4.4
129.07022	15.5
131.08578	11.6
133.10144	17.2
135.11688	12.3
137.09657	1.8
141.06969	1.3
143.08565	11.8
145.10120	15.1
147.08023	2.8
147.11693	30.6
149.13290	4.0
155.08533	2.6
156.09398	2.0
157.10162	3.4
157.18613	1.4
159.11684	5.2
161.09668	4.6
161.13254	13.2
167.08659	1.8
169.10176	3.1
171.11697	26.0
173.13278	3.5
177.12712	1.2
179.14417	1.2
183.11662	1.9
185.13264	2.1
187.14842	2.2
189.12762	7.4
199.14972	1.5
203.45601	1.0
207.13809	24.4
209.13281	1.4
225.14880	2.9
243.21098	2.0
256.26331	8.7
257.26749	5.5
261.22275	4.0
275.24942	1.2
280.23203	1.1
281.17578	1.9
283.26376	2.0
284.26776	1.2
284.29669	1.8
310.92746	1.4
311.29428	7.8
312.29755	5.3
317.24908	1.5
449.34366	3.3
467.35239	1.9
523.38666	1.7
536.92047	1.1
540.53381	8.3
541.38971	84.1
541.53534	32.0
542.40009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06431	0.6
58.06606	1.8
58.10350	0.8
69.03415	1.0
69.59801	1.6
69.60217	3.2
74.06050	1.3
74.09717	5.8
85.02880	2.0
97.02927	1.0
101.00898	0.8
112.43079	0.8
118.08678	5.2
127.03902	1.3
131.01907	1.9
137.01804	0.9
139.78690	0.8
143.01849	0.9
155.01945	1.1
156.04218	5.4
156.08711	2.2
158.06667	2.5
163.03883	2.4
173.02972	1.3
176.07697	9.6
200.07695	100.0
201.07867	2.0
203.04083	1.7
212.07671	7.0
218.08768	23.5
224.04529	0.8
230.08717	7.0
242.08762	1.5
245.05087	1.3
246.05289	0.7
256.35849	0.8
260.09811	26.2
261.09906	1.0
275.06161	1.1
284.09900	0.8
290.10938	2.7
295.12848	0.7
302.10931	2.6
320.11948	2.8
380.30127	1.0
381.07910	1.3
457.69302	0.9
506.52014	0.8
530.45593	0.7
543.13177	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	542.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.03431	0.9
57.07077	33.4
59.05005	0.8
62.03188	0.7
67.05514	3.8
69.03407	1.0
69.07081	3.0
69.54867	2.2
69.55279	1.8
70.13856	0.6
71.08633	24.2
73.02928	0.7
73.06563	8.9
78.68397	0.7
79.05483	2.1
81.03436	0.7
81.07047	4.0
83.08617	4.1
85.10186	19.0
87.04478	5.7
87.08105	1.0
89.06034	100.0
91.05479	2.4
91.07587	0.7
93.07047	2.6
95.04970	0.8
95.08602	3.0
97.10183	4.0
99.11749	5.2
100.54185	0.5
105.07044	2.2
107.07082	2.2
107.08611	1.4
109.10157	1.3
111.08138	0.9
111.83955	0.6
113.13275	1.6
113.65990	0.7
117.07097	0.7
117.09134	4.9
119.08592	2.0
121.10148	0.9
129.07050	0.6
130.08670	2.3
131.07033	1.3
131.08569	0.9
133.08609	51.9
133.10222	1.4
143.08575	0.6
145.10126	0.8
147.11760	0.7
149.09747	0.6
154.31071	0.6
155.08612	0.7
155.17987	4.4
157.10117	1.0
161.11790	1.1
171.11607	1.0
175.09706	0.6
177.11230	18.0
195.12347	0.7
199.20621	3.9
221.03008	1.0
221.13838	3.5
235.01718	0.6
239.14783	1.1
240.23505	1.2
243.23228	9.0
265.16354	0.6
283.17465	1.2
287.25757	4.7
301.20035	1.0
305.14951	0.6
327.20108	1.7
371.22888	4.6
481.38089	0.8
525.40271	6.1
542.34540	0.9
542.41443	1.7
543.36786	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61292	0.4
56.36048	0.4
57.03436	0.7
69.03434	1.1
70.74022	0.8
70.74361	1.0
77.20136	0.5
77.27206	0.5
85.02906	3.0
97.02901	1.0
101.00889	0.5
109.34907	0.5
117.03311	0.5
118.08629	0.6
119.01939	0.7
121.01615	0.6
122.16775	0.5
123.01256	0.6
124.44088	0.5
127.03909	1.3
131.01930	1.3
132.01822	0.5
137.01927	0.5
143.01904	1.2
145.01732	0.7
145.04945	0.7
147.04405	1.6
155.01955	0.9
157.01642	0.6
157.03516	0.6
161.02977	0.9
163.02724	0.8
163.03929	3.7
171.04987	0.6
173.02954	1.7
183.05080	0.7
184.62877	0.5
185.02956	1.3
187.02661	0.9
200.07687	0.8
201.07857	0.7
203.04036	2.0
203.54073	0.5
204.03925	0.8
205.03883	0.7
232.93117	0.5
245.05144	2.6
246.05054	0.6
247.04936	2.0
257.04904	0.6
263.06198	0.7
264.00458	0.5
277.05981	0.5
290.55579	0.8
363.06857	4.7
369.02420	0.5
381.07935	16.3
543.13239	100.0
544.13318	2.2
558.19043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66008	0.5
53.96482	0.6
69.70834	3.0
72.69167	0.6
74.09723	0.9
126.36359	0.6
156.04230	10.4
158.04031	2.3
174.09659	0.6
200.07689	6.8
201.07838	9.3
213.07878	0.8
218.08714	1.8
219.08981	2.0
235.38283	0.6
260.09930	1.4
261.10040	2.6
363.06830	4.1
381.08032	10.1
543.13287	100.0
544.13525	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	543.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03949	6.2
55.01873	9.5
55.05512	28.2
56.05031	5.1
56.35656	1.7
56.96550	1.8
57.03432	5.9
57.07072	4.7
57.65134	1.8
58.99585	5.1
60.85211	1.5
61.02945	2.0
65.03945	5.6
67.05504	73.9
69.03424	7.4
69.06708	3.2
69.07069	35.2
69.73804	3.9
69.74216	6.6
71.04987	5.4
73.02927	2.2
73.06537	2.1
74.00676	3.3
76.02225	2.9
79.05495	65.4
79.38486	1.8
81.03423	7.4
81.07059	61.8
83.04986	12.0
83.08620	10.6
84.04507	55.5
85.01087	2.2
85.02908	4.0
85.06561	4.0
86.00642	3.0
86.99045	3.0
88.03978	5.7
91.05479	58.1
93.07047	64.2
95.04983	20.0
95.08607	45.3
97.01121	5.3
97.02904	3.4
97.06535	13.5
97.10156	13.3
102.05593	1.7
105.07037	64.0
107.04949	12.9
107.08592	46.4
109.06529	10.3
109.10159	30.0
110.06040	2.2
111.02658	2.5
111.08112	3.8
111.11745	5.2
113.00595	7.3
113.04214	3.1
117.07030	16.9
119.04951	2.1
119.08584	52.2
121.06490	7.8
121.10149	45.5
122.02761	6.1
123.08068	5.9
123.11711	5.5
125.04221	3.0
125.09618	3.8
129.06996	5.4
130.04997	10.9
130.07762	1.7
131.08546	22.9
132.01074	2.1
132.99524	2.7
133.06516	4.6
133.10136	36.9
133.11084	3.2
135.08061	12.3
135.11691	7.4
137.09621	15.5
139.02132	2.1
139.11191	29.4
141.07025	3.0
142.03246	3.0
142.07841	2.3
143.08566	5.3
145.02872	1.6
145.10146	19.2
147.04433	2.4
147.08018	2.9
147.11678	25.2
147.12750	2.0
149.02336	15.7
149.09636	10.6
149.13234	3.6
151.05757	2.5
151.11200	4.9
152.84323	1.8
155.08568	4.2
157.10136	5.0
157.12242	1.9
158.02686	3.9
159.03473	2.8
159.08014	3.2
159.10477	1.9
159.11668	13.7
161.09657	4.7
161.13249	7.8
163.03896	2.6
163.11197	6.7
167.10718	3.5
167.51762	1.7
169.10156	2.4
171.11720	6.1
173.09628	2.5
173.13261	7.0
175.11174	2.9
177.05522	3.3
177.12712	1.7
179.10664	3.6
183.11736	3.3
185.03833	3.8
185.11783	2.4
185.13243	2.7
187.13289	3.3
187.14882	2.4
188.03885	1.7
191.08871	1.8
195.08385	2.0
197.13248	2.2
203.12785	61.9
205.12233	1.9
212.10918	2.5
213.16360	2.8
216.60315	1.8
217.08228	2.5
223.13380	2.2
224.11180	3.4
225.09451	2.7
229.19594	2.1
233.15332	2.6
239.17931	8.1
242.12195	3.9
247.20621	6.1
251.07030	7.3
252.68877	1.6
257.18964	12.1
260.52945	1.8
275.20071	100.0
287.11911	3.7
293.21078	31.9
307.17075	3.9
333.18890	7.8
350.21457	7.6
351.20023	2.4
368.22424	4.4
396.22067	52.4
397.20535	3.7
414.23126	63.8
416.22586	1.9
434.23495	2.4
480.24237	2.6
525.26221	6.8
526.24677	7.7
526.31879	2.6
543.27051	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3142
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
53.03936	0.3
55.05517	0.5
59.30622	0.3
62.44276	0.3
69.03431	0.6
69.07067	0.4
69.38083	2.9
73.33410	0.3
79.05479	0.6
81.03409	0.4
81.07069	0.8
84.04468	0.3
85.02897	0.8
91.05483	0.8
93.07062	0.9
95.08626	0.5
97.02918	0.4
98.21464	0.7
98.97561	0.4
105.07047	0.7
107.04946	0.4
107.08598	0.4
109.02851	0.3
116.03888	0.3
116.98602	0.4
121.02926	0.4
121.10184	0.3
127.03936	0.6
133.10141	0.4
137.06076	0.4
145.02863	0.5
147.04417	0.5
151.03937	0.3
157.10127	0.4
159.11749	0.3
170.56987	0.4
177.05467	0.6
181.04936	0.5
203.05290	3.4
207.06654	0.4
237.20355	0.4
262.08688	0.5
273.57031	0.4
280.13977	0.4
315.14529	0.3
333.08661	0.5
363.25055	9.8
381.26202	0.7
513.30597	0.7
543.31415	100.0
544.31671	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03952	4.6
53.05524	0.8
55.01875	3.8
55.05513	20.0
57.03449	3.4
57.03649	0.7
57.07065	1.3
65.03954	3.5
67.05508	45.9
69.03405	2.3
69.07071	13.1
71.04989	4.2
73.02886	1.6
73.85420	0.6
77.03894	1.6
79.05497	54.7
81.03408	4.8
81.07064	42.0
83.04987	5.7
83.08624	12.0
85.02882	0.9
85.06509	1.6
91.05486	28.4
93.07050	63.7
95.04985	10.3
95.08610	49.2
95.09517	0.8
97.02924	4.4
97.06528	4.4
97.10163	3.7
98.20687	1.5
99.04475	3.9
103.05458	1.8
105.04498	1.3
105.07037	22.1
107.04964	7.4
107.08598	41.9
109.02949	0.8
109.06528	4.7
109.09566	0.8
109.10169	9.8
111.04432	1.4
111.08032	2.1
113.06002	1.1
115.05427	1.7
116.06178	1.0
117.07030	14.3
119.07787	1.3
119.08595	18.0
121.06517	6.0
121.09306	1.2
121.10149	23.3
123.08067	1.5
123.11668	2.3
124.74962	0.7
125.05959	2.4
125.09612	2.2
128.06212	0.8
129.07042	3.8
130.07770	1.8
131.08572	10.1
133.10136	10.5
135.08012	2.8
135.11707	50.8
137.09610	0.8
137.13213	0.8
139.07420	1.5
140.16283	0.7
143.08519	3.2
145.10126	30.5
146.19826	0.7
147.11685	4.9
149.09598	1.5
149.13254	3.8
153.12715	1.1
155.08534	1.4
157.06462	0.8
157.10107	2.7
159.08035	1.2
159.11673	5.0
161.13228	2.7
163.11194	54.2
169.10103	1.0
169.45898	0.8
171.11688	1.6
173.09650	1.2
173.13318	3.8
175.14848	1.3
178.47069	0.8
181.12239	13.9
183.11700	2.0
185.13203	1.9
187.14847	2.0
193.10167	0.9
195.11642	0.9
197.13322	1.2
199.11275	1.1
201.16254	1.1
209.11621	3.5
219.17220	0.8
223.14905	0.8
227.12788	100.0
229.48090	1.0
243.21054	2.3
261.22180	8.1
267.15976	1.1
275.20050	1.2
283.15344	0.9
299.23584	1.1
317.24847	3.3
335.25989	1.4
433.31039	2.2
451.32187	1.5
469.33322	2.3
525.36267	4.4
543.36877	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.1
53.03951	6.0
55.01884	5.3
55.05514	17.3
57.03439	3.6
57.07068	3.1
57.07343	0.9
58.37370	1.1
65.03934	2.6
67.05508	48.2
69.03421	1.8
69.07067	15.1
70.16214	2.0
70.16615	3.1
71.05003	5.4
73.02893	1.3
79.05499	57.3
81.03430	3.9
81.07060	43.2
82.07395	1.2
83.04991	5.6
83.08628	12.1
85.02854	1.2
85.06538	1.8
85.53916	1.0
91.05486	29.7
93.07053	62.8
95.04981	11.4
95.08612	57.2
95.09229	2.4
97.02911	4.8
97.06537	4.1
97.10162	4.3
99.04471	3.4
103.05490	1.7
105.04538	1.6
105.07037	21.7
107.04968	11.1
107.08601	42.6
109.06548	3.4
109.10163	11.2
111.08120	1.9
115.05450	1.2
117.07018	16.5
119.08585	18.7
121.06515	6.6
121.10149	22.4
123.08062	1.6
123.11711	2.6
125.06020	2.7
125.09664	2.0
127.04076	1.2
128.06218	1.5
129.07047	4.6
130.07796	2.3
131.08578	10.2
133.10149	11.3
135.08096	2.2
135.11707	46.7
139.07509	1.9
140.35495	1.0
143.08588	3.5
145.10135	32.1
147.08090	1.4
147.11728	4.7
149.09680	1.1
149.13249	5.0
155.08583	1.1
157.10127	3.0
159.11710	6.0
161.09756	1.4
161.13274	3.7
163.11197	55.5
165.12703	1.4
169.10225	1.3
171.11722	1.6
173.09636	1.4
173.13316	4.4
175.14821	1.3
181.10626	1.8
181.12236	13.6
183.11703	1.5
185.13274	2.3
187.14879	2.3
197.13312	2.4
201.16406	1.2
209.11784	3.3
227.12790	100.0
243.21170	2.1
259.20682	1.2
261.22150	8.8
275.20200	2.7
299.23465	1.5
317.24924	3.0
433.30817	2.5
447.28265	1.4
451.32376	3.9
469.33319	3.1
525.35596	4.8
543.36914	80.3
544.37360	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01876	3.6
55.03777	1.1
55.05517	16.4
57.03442	3.0
57.07076	2.4
65.03950	3.6
67.05158	2.3
67.05511	44.2
69.03445	1.6
69.07078	14.3
69.41578	2.3
69.41978	8.5
71.04989	2.9
73.02940	1.3
79.05500	49.7
81.03420	5.7
81.07066	45.3
83.04992	3.7
83.08642	11.0
91.05482	30.0
92.68165	1.0
93.07052	65.5
95.04975	10.0
95.08620	47.4
95.09230	2.5
97.02910	4.4
97.06492	5.2
97.10195	3.8
99.04472	3.7
99.08102	1.4
103.05428	1.4
104.10710	1.7
105.04549	1.6
105.07040	21.8
107.04960	7.8
107.08606	40.3
109.06529	3.3
109.10169	11.3
111.08091	2.1
113.06040	1.5
115.05494	1.6
117.07021	14.5
119.08587	18.8
121.06527	5.6
121.10157	21.6
123.08092	2.6
123.11731	2.4
125.05986	2.1
125.09631	2.4
128.06302	1.6
129.07030	2.9
130.07802	2.4
131.08578	10.6
133.10146	10.9
135.08093	2.0
135.11708	48.0
139.07562	1.3
139.11206	1.6
142.07758	1.9
143.08575	3.1
145.06494	1.0
145.10133	30.6
147.11729	4.7
149.09613	2.3
149.13303	4.4
155.08571	2.9
157.10114	2.9
159.08113	2.0
159.11679	5.6
161.13304	4.2
163.11200	54.8
169.10114	1.8
171.11746	2.6
173.09639	2.6
173.13309	4.4
175.14966	1.1
181.12263	11.2
183.11681	2.0
185.13274	2.6
187.14850	2.5
189.11249	1.2
191.10681	1.5
195.11610	1.3
197.13220	1.4
199.14716	1.2
209.11766	2.3
211.14911	1.2
227.12796	100.0
231.47839	1.2
243.21263	2.7
243.42860	1.2
261.22141	7.4
275.20245	1.7
283.15393	1.1
283.20816	1.3
297.22049	1.1
299.23770	1.6
317.24829	3.2
375.41553	1.2
380.01074	1.1
390.80069	1.0
433.31387	1.4
451.32135	3.9
469.33643	2.0
525.35712	5.3
543.36914	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.6
51.02357	0.6
53.03929	2.2
55.01880	2.9
55.05512	12.3
57.03420	2.1
57.07060	1.5
65.03954	2.7
67.05508	32.1
69.03410	1.7
69.06701	0.8
69.07065	9.1
69.30200	4.4
71.05006	3.0
71.08600	0.6
73.02902	0.7
77.03895	1.0
79.05496	41.3
81.03394	2.3
81.07060	33.7
83.04995	3.5
83.08206	0.6
83.08634	7.0
85.06532	0.7
91.05486	19.5
93.07048	49.7
95.04966	6.8
95.08610	39.1
97.02908	2.9
97.06548	3.0
97.10159	0.7
99.04436	2.6
103.05467	0.8
105.04527	1.0
105.06380	1.0
105.07037	12.3
107.04976	6.0
107.08598	34.6
109.06509	2.5
109.10153	7.2
111.04456	1.2
111.08089	1.4
115.05437	0.9
117.07021	10.2
119.08575	14.8
121.06499	5.4
121.09299	1.1
121.10147	18.9
123.08092	0.6
123.11696	1.3
125.05974	2.2
129.07010	2.0
130.07767	2.4
131.08591	5.7
133.06480	0.8
133.10136	6.5
135.08028	1.9
135.11699	44.5
139.07492	1.4
143.08539	1.5
145.06467	0.6
145.10127	25.9
147.11700	2.9
149.13271	3.1
153.12822	0.9
155.08572	1.0
157.10167	1.0
159.11702	3.6
161.13237	2.1
163.11186	51.1
163.14743	1.3
171.11736	0.9
173.09564	0.7
173.13274	2.7
175.14804	0.9
181.12236	12.2
183.11650	0.8
187.14856	0.7
201.16405	0.6
209.11720	2.3
227.12787	100.0
228.13190	0.9
243.21098	2.4
261.22128	6.1
283.15396	1.0
293.83484	0.6
317.24725	2.1
433.30792	0.6
451.32407	1.2
469.33594	0.9
543.36841	54.8
544.36969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03719	0.7
53.03944	5.8
55.01846	2.9
55.05513	15.7
55.98379	0.7
57.03409	2.7
57.07063	1.0
65.03911	2.3
66.40228	0.7
67.05505	38.4
69.03404	1.8
69.07068	9.6
70.00257	3.2
71.05000	3.7
73.02917	1.4
74.07510	0.6
77.03909	1.1
77.81110	0.7
79.05494	49.1
81.03378	2.2
81.07056	35.5
83.04977	3.9
83.08627	9.0
85.06520	1.2
88.08303	0.7
91.05480	25.3
93.07045	61.3
95.04971	8.3
95.08607	49.6
96.97664	0.8
97.02919	3.5
97.06512	4.0
97.10142	1.9
99.04433	3.9
99.08071	1.0
101.47803	0.7
103.05431	1.0
105.04521	1.6
105.06378	1.0
105.07034	16.8
107.04979	7.7
107.08595	36.0
109.06487	3.0
109.10161	7.3
111.04440	0.8
111.08038	1.0
115.05389	0.9
117.06215	0.8
117.07020	13.3
119.08583	13.8
121.06532	5.7
121.09300	1.1
121.10141	20.3
121.73373	0.7
123.08072	0.9
123.11703	1.2
125.05985	2.0
125.09648	0.9
130.07759	2.3
131.08572	6.7
133.10127	7.5
135.08028	2.3
135.11696	46.4
136.11967	0.7
137.09668	1.2
139.07530	1.1
143.08563	1.2
145.10123	27.9
147.11641	2.2
149.13220	3.1
153.12715	0.8
159.11676	3.0
161.13239	2.1
163.11186	54.7
163.14832	1.6
173.09598	0.9
173.13228	3.0
175.14882	1.1
181.12236	12.5
187.14786	1.3
192.01860	0.7
209.11842	2.2
213.16438	0.7
227.12779	100.0
233.49803	0.8
243.20929	1.0
261.22086	5.8
275.20154	0.9
283.15451	1.1
317.24731	2.6
414.58307	0.7
507.51422	0.9
525.35773	1.3
543.36816	55.6
544.36798	1.1
550.19055	0.8
569.00232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84005	1.1
51.52478	1.2
51.99358	1.3
52.01434	1.1
53.03946	6.4
55.01866	3.4
55.05517	21.2
57.03426	3.8
57.07062	3.0
65.03936	3.6
67.05507	47.6
69.03432	3.6
69.07066	11.1
70.02180	5.4
71.05007	2.8
77.03954	1.2
79.05497	58.9
81.03435	10.4
81.07063	42.5
82.14417	1.1
83.04980	4.7
83.08622	13.3
85.06551	1.2
91.05480	29.9
93.07047	64.2
95.04974	12.9
95.08612	51.7
95.09226	2.4
97.02879	5.7
97.06535	4.6
97.10152	4.2
98.20792	2.0
99.04452	2.2
99.08099	1.7
103.05515	1.6
105.04503	1.8
105.07036	25.6
107.04961	11.1
107.08601	39.6
109.06490	3.6
109.10185	10.7
111.04447	1.2
111.08105	3.1
117.07007	17.9
119.08591	23.5
121.06533	6.2
121.10149	25.0
123.08053	2.3
123.11776	1.5
125.06020	3.1
125.09653	3.0
128.06273	1.7
129.07057	2.7
130.07790	2.5
131.08574	11.2
133.10164	9.8
135.08049	2.2
135.10661	2.5
135.11699	48.8
139.07533	1.9
141.07039	1.6
143.08582	4.2
145.06554	1.3
145.10123	30.9
147.11691	3.7
149.09694	1.5
149.13281	4.0
151.11105	1.1
155.08560	2.0
157.10155	3.2
159.11736	5.5
161.13263	4.3
163.11200	53.7
169.10182	2.1
171.11710	2.5
173.13286	3.4
179.14247	7.4
181.10599	1.9
181.12201	13.7
183.11688	1.7
185.13274	2.2
193.12250	1.7
209.11769	3.3
214.37250	1.4
227.12798	100.0
229.09634	1.2
230.49956	1.5
243.21156	2.5
261.22092	7.1
267.16110	1.8
277.21710	4.5
317.24936	1.6
324.55551	1.3
335.18329	1.3
451.32260	1.5
469.33597	1.9
525.36072	4.6
543.36896	69.8
544.37518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92376	2.2
53.03937	3.5
55.01867	6.9
55.05298	1.9
55.05513	24.3
57.03431	2.6
57.07054	4.3
58.99581	2.6
65.03956	2.7
67.05164	3.4
67.05505	54.0
69.03423	7.0
69.06710	2.8
69.07066	38.3
70.06583	4.1
71.01362	2.2
71.04998	2.8
71.08620	3.8
71.40502	3.2
73.06553	3.1
74.00661	2.4
79.05495	27.0
81.03417	8.3
81.07058	39.5
83.04981	10.3
83.08617	8.8
84.04510	35.3
85.06543	5.2
91.05486	27.6
93.07044	38.5
95.04980	14.1
95.08613	46.9
97.01149	3.0
97.06524	11.2
97.10150	7.6
99.08110	4.9
105.07019	20.4
107.04941	4.2
107.08603	22.3
109.06490	7.0
109.10147	17.4
110.06008	2.5
111.11700	2.8
117.06989	5.6
119.04922	6.0
119.08591	17.0
121.10140	21.8
122.02714	3.3
123.08049	7.4
123.11708	7.5
125.09623	3.3
129.06956	5.1
130.04987	4.3
131.08543	5.3
132.01041	2.5
132.99535	5.9
133.10147	11.0
135.08044	2.8
135.11693	8.9
137.05968	3.5
137.09618	22.6
137.13242	6.2
139.11177	6.2
143.08545	4.3
145.10103	5.2
147.04405	12.9
147.08041	3.1
147.11691	9.0
149.13274	7.2
151.11179	8.2
157.10147	5.2
159.11679	5.4
161.13232	10.0
163.14888	3.2
163.79948	2.0
165.09093	4.4
165.12740	5.4
171.11739	3.9
173.13237	3.5
175.14783	4.8
177.05566	2.5
177.16438	2.4
179.14308	6.5
181.12263	10.4
185.13232	3.3
189.12775	2.8
199.14734	2.1
203.12775	3.5
207.06496	3.1
207.13965	2.7
231.21033	9.6
241.19501	5.3
249.22110	14.5
251.06950	2.5
259.20523	9.5
265.21469	2.4
277.21609	100.0
287.11926	4.9
295.22690	65.4
299.20401	2.2
309.18692	3.4
335.20557	2.6
348.44183	2.6
352.23013	7.7
353.21646	3.4
370.24216	2.4
398.23618	35.6
399.22095	4.7
416.19656	3.0
416.24661	39.1
440.33932	2.3
527.27582	6.5
528.25952	3.5
545.28516	30.3
545.35748	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	545.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.05507	0.3
57.03442	0.2
59.78423	0.2
67.05507	0.5
69.03429	0.7
69.07069	0.3
70.06585	0.5
71.04995	0.3
72.08150	0.4
79.05489	0.5
81.03416	0.4
81.07064	0.8
83.04974	0.3
84.08141	0.4
85.02894	0.5
86.09693	0.3
86.87055	0.2
91.05489	1.0
93.07053	0.4
95.04991	0.4
95.08597	0.4
97.06520	0.5
99.08087	0.3
103.05464	0.3
105.07034	0.5
107.04907	0.4
107.08598	0.6
109.06528	0.3
109.10126	0.4
113.06007	0.3
117.03385	0.3
119.04962	0.4
119.08607	0.6
121.02905	0.4
125.09661	0.2
127.03867	0.3
137.05989	0.8
145.02901	0.5
145.10094	0.3
147.04393	0.6
161.06033	0.4
163.07625	0.2
167.07088	0.6
175.03915	0.3
175.07675	0.3
177.05502	0.9
191.07086	0.3
200.26265	0.2
203.05307	3.2
207.06557	0.8
223.08086	0.2
227.88074	0.3
291.10101	0.4
323.12869	0.4
331.08331	0.2
343.17389	0.3
353.10251	0.3
365.26624	15.0
367.28418	0.3
380.17252	0.2
383.11322	0.7
383.27618	1.2
395.11279	0.8
425.12381	1.0
425.28995	0.3
449.12210	0.4
527.15295	0.6
545.33008	100.0
546.33307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63159	0.2
56.29536	0.3
56.96563	0.4
57.03438	0.3
67.05505	0.4
68.93073	0.2
69.03443	0.6
69.07057	0.4
70.80725	0.6
79.05506	0.5
81.03423	0.4
81.07066	0.8
83.04967	0.4
85.02898	0.5
89.03916	0.3
91.05498	0.8
93.07065	0.5
94.05964	0.3
94.11203	0.3
95.04997	0.4
95.08630	0.6
97.02918	0.4
97.06513	0.4
100.11293	0.4
105.06996	0.4
109.02910	0.4
109.06538	0.4
117.03368	0.6
117.07118	0.3
119.04921	0.4
119.08632	0.3
121.10123	0.3
121.97440	0.3
123.08105	0.3
131.05011	0.3
133.10088	0.4
137.05986	0.3
145.02898	1.6
149.06033	0.4
155.40164	0.2
167.07149	0.3
177.05472	2.0
203.05287	3.4
207.06599	0.9
246.64206	0.3
252.35295	0.3
269.04617	0.3
299.05435	0.6
309.20316	1.2
343.17203	1.6
365.26648	10.3
366.27039	0.3
383.27692	1.0
395.11356	1.1
407.11099	0.3
425.12222	1.3
430.73032	0.3
449.12537	0.5
509.14685	0.4
515.31116	0.4
527.15564	0.8
545.33020	100.0
546.33209	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
53.03936	3.6
53.07655	1.5
55.01867	5.9
55.05256	2.5
55.05516	36.6
57.03444	11.9
57.07067	4.0
60.31410	1.5
65.03930	3.8
67.05508	74.8
69.03426	3.8
69.07069	18.0
69.57419	7.1
69.57832	3.6
71.05000	5.3
71.05578	1.5
79.05497	48.3
81.03419	27.0
81.07061	73.0
83.04986	9.8
83.08626	18.2
85.02915	2.4
85.06564	2.1
91.05487	37.5
93.07047	43.7
95.04424	2.3
95.04977	22.4
95.08036	3.0
95.08615	47.8
97.06527	5.1
97.10174	18.6
99.08141	2.0
105.07032	32.7
107.04974	7.8
107.08598	33.7
109.06520	7.0
109.10159	26.3
111.08096	5.6
115.05477	1.9
117.07016	17.6
118.62018	1.5
119.08588	28.6
121.06474	7.6
121.10135	17.8
123.08099	3.9
123.11697	8.2
125.09615	17.0
128.48744	1.5
129.07013	11.7
131.08566	25.2
131.42999	1.8
133.06470	2.7
133.10138	22.9
135.08049	4.8
135.11697	13.7
137.09630	1.8
137.13266	3.3
139.11113	1.6
142.07777	2.4
143.08553	8.8
145.06480	1.8
145.10117	21.5
147.08113	3.4
147.11694	15.9
149.09648	5.3
149.13266	3.4
153.09134	2.9
155.08516	3.9
157.10133	12.2
159.08130	2.2
159.11732	15.1
161.09627	3.8
161.13295	6.3
163.11186	6.0
163.14806	3.3
165.12718	2.9
169.10152	3.5
171.10318	2.9
171.11722	6.5
173.13277	8.5
174.70178	1.6
175.11194	5.3
175.14833	5.2
177.12660	2.6
181.10147	4.4
183.11739	3.8
185.13335	4.4
187.14850	6.5
189.11252	12.1
189.16388	2.2
193.12234	11.1
195.11752	2.4
197.13269	3.6
201.16472	1.8
203.14240	2.7
209.13274	2.4
211.13203	2.6
223.13252	1.7
227.12843	18.0
243.15936	2.0
243.21053	2.6
261.19476	2.9
261.22073	13.0
267.15921	20.5
273.21991	2.4
277.21771	1.9
279.23230	2.8
285.22198	2.8
299.23865	2.3
301.21927	1.6
301.25189	20.7
303.23367	1.8
317.24860	4.7
335.25803	14.6
357.27866	2.4
359.25919	3.6
421.25821	3.6
435.27295	3.1
435.32574	9.4
453.33826	17.7
471.34802	13.1
501.35883	2.7
509.36197	2.8
527.37323	60.0
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01865	5.8
55.05262	2.2
55.05517	38.8
57.03445	8.7
57.07076	4.9
59.47472	1.9
65.03953	2.9
67.05509	66.1
69.03422	4.2
69.07079	19.1
71.04987	4.2
79.05500	51.1
81.03421	25.4
81.07064	57.2
83.04991	6.9
83.08624	22.9
85.06558	2.7
91.04951	3.1
91.05487	37.9
93.07050	44.9
95.04979	21.2
95.08614	51.1
97.06527	5.2
97.10173	21.2
99.08075	2.8
102.75476	1.7
103.05466	2.5
105.04527	1.7
105.07038	36.8
107.04972	10.2
107.08605	29.2
109.06538	9.7
109.10160	25.4
111.08076	4.3
117.07023	14.5
119.08604	31.0
121.06500	8.0
121.10151	18.1
123.08021	2.1
123.11716	10.4
125.09660	19.1
129.06979	9.8
131.04927	2.4
131.08571	24.8
133.10149	23.5
135.08070	6.2
135.11714	14.7
137.09634	3.9
137.13269	3.0
141.06966	3.0
143.08549	9.5
145.06531	2.5
145.10138	21.5
147.08084	4.7
147.11697	13.6
149.09622	3.5
149.13303	7.1
155.08572	5.0
157.10149	13.8
159.08128	2.7
159.11717	13.7
161.09564	2.9
161.13252	6.2
163.11185	5.3
163.14861	2.1
167.08679	2.0
169.10135	6.3
171.10287	2.2
171.11685	6.5
173.13312	10.0
175.11214	3.6
175.14850	3.0
177.12718	1.9
183.11678	4.0
185.13293	5.0
187.14810	5.5
189.11275	12.0
189.16385	3.6
193.12245	10.6
196.89636	2.0
197.13385	3.0
199.14815	2.8
201.16669	1.9
201.18613	2.0
203.14349	2.1
211.14941	2.6
227.12778	15.2
233.15448	2.3
247.16933	3.9
249.14844	2.3
259.17374	2.4
261.22186	14.4
267.15982	24.5
269.18515	1.8
275.20157	1.9
285.22269	4.1
292.81879	2.0
301.22089	3.3
301.25266	23.0
333.11835	2.2
335.25839	16.1
341.24814	2.2
372.72061	2.0
395.22620	1.9
417.31638	2.3
421.25864	4.0
425.34308	2.5
435.32739	7.7
453.33707	17.1
471.34784	13.4
475.30609	2.6
509.36685	2.4
527.37360	59.2
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01864	7.1
55.05518	36.8
57.03436	6.5
57.07095	4.0
59.05003	2.9
65.03926	4.0
65.88522	1.9
67.05507	77.9
69.03426	6.1
69.07081	21.6
70.40900	2.0
71.04978	4.7
72.82868	1.6
79.05496	52.8
81.03425	29.3
81.07060	74.0
83.04996	6.1
83.08617	23.4
85.02905	2.5
85.06558	1.9
87.51458	2.0
88.08871	1.9
91.05486	39.6
93.07049	43.7
95.04969	17.9
95.08604	49.1
97.06536	7.5
97.10175	24.3
99.08092	2.2
105.07041	34.6
107.04960	9.8
107.08598	28.6
109.06538	6.6
109.10168	28.6
111.08111	7.0
117.07026	18.3
119.08590	34.2
121.06555	9.9
121.10147	24.5
123.08121	4.9
123.11717	9.8
125.09627	15.3
127.11082	2.3
129.06995	10.9
131.08571	29.4
133.06503	2.4
133.10127	22.5
135.08064	7.9
135.11702	15.2
137.09631	4.7
137.13298	2.2
139.11183	2.3
142.07777	3.0
143.08582	14.2
145.02885	2.4
145.10121	24.1
146.98219	2.7
147.08099	5.7
147.11691	16.0
149.09697	5.2
149.13298	7.8
153.09135	3.1
155.08571	5.3
157.10114	14.1
159.08055	3.2
159.11684	13.4
161.09659	2.5
161.13246	12.3
163.11226	6.7
163.14893	5.3
165.12769	2.0
169.10132	5.9
171.10257	3.6
171.11693	9.8
173.13229	12.7
175.11258	6.5
175.14853	3.7
177.05551	4.6
177.12770	2.7
183.11745	5.2
185.13269	5.6
187.11208	2.0
187.13362	2.4
187.14899	6.3
189.11241	7.9
189.12817	2.3
193.10596	1.9
193.12199	10.0
195.11719	3.4
197.13370	3.3
199.14862	5.2
201.16541	3.3
213.16545	2.2
215.17876	2.5
227.12750	14.5
233.15361	3.0
243.21066	3.3
247.16882	3.0
261.18411	2.1
261.22223	13.2
267.15881	23.2
279.23248	2.3
285.22287	3.6
299.23886	2.2
301.25238	21.4
303.23312	3.0
317.24884	3.1
335.25827	17.0
359.25757	3.2
373.27289	2.4
421.26181	5.5
435.32675	9.9
453.33765	17.8
471.34863	14.2
486.27002	2.4
491.35318	2.7
509.36087	3.1
527.37378	58.2
545.38434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
55.05510	2.2
56.96567	2.6
60.09665	2.0
65.03949	4.0
67.05497	5.4
69.03423	9.8
70.06578	3.6
70.80598	4.2
79.05495	6.1
81.03411	9.7
81.07053	4.8
84.08178	2.5
85.02901	8.5
86.09685	2.8
87.73688	2.0
91.05489	37.0
93.07070	3.2
95.04963	4.8
95.08621	4.4
97.02907	4.1
97.06541	3.9
103.05464	3.3
105.07018	4.4
107.04971	12.3
107.08597	4.2
109.02866	5.1
109.10151	2.1
111.04395	2.4
115.05429	4.4
115.98487	2.0
117.03374	2.5
119.02115	2.0
119.04952	55.6
119.08591	3.2
121.02872	27.8
121.06513	2.9
121.10143	3.4
123.04397	6.5
127.03951	3.3
133.02834	4.2
133.10144	2.9
137.05960	6.7
143.08582	2.4
145.02885	5.6
145.10081	3.8
147.04417	100.0
149.06018	3.5
151.03877	3.7
155.05309	2.1
156.49144	2.2
157.04005	2.3
157.06566	2.6
163.04004	3.9
165.01898	2.3
167.07028	15.0
173.05847	2.1
175.03912	42.0
175.07674	2.2
177.05476	9.8
179.03363	16.0
179.06964	3.9
181.04945	3.0
187.03848	3.6
187.07664	2.8
188.04691	2.4
189.01836	5.4
191.03406	5.4
193.05090	3.0
195.02913	4.8
201.05498	4.6
201.09013	2.3
203.03346	8.7
207.03207	4.1
207.06535	95.3
215.03470	7.8
217.04953	3.8
221.04500	3.0
229.08508	3.6
231.02872	2.8
233.04451	5.4
243.03008	3.4
248.08481	3.0
251.07069	2.8
261.03720	2.3
263.07199	2.1
265.08771	2.4
268.07227	3.8
276.07919	3.2
279.06470	4.8
281.08115	3.9
283.06055	14.3
291.10062	3.2
293.08099	8.1
294.05270	5.3
295.06018	44.6
296.06699	5.8
297.07462	10.6
305.08148	5.8
307.03024	3.6
307.06125	38.1
307.09512	4.0
308.06689	8.3
308.10120	3.4
309.07529	15.7
312.06262	3.1
313.07077	4.3
317.08276	4.4
319.06180	4.7
319.09634	3.4
320.06628	3.5
321.07550	29.9
322.08142	3.7
323.05569	4.2
323.09103	6.6
325.07095	40.6
325.10730	1.4
326.07773	3.2
333.07553	16.3
335.05640	3.7
335.09134	13.7
336.06223	5.3
337.07001	27.1
337.10547	2.8
339.08426	3.9
345.07532	9.8
347.09232	4.5
349.07117	28.6
351.08661	8.6
351.12247	4.4
353.06546	3.2
355.15445	5.4
361.07135	25.8
363.08603	15.0
365.06418	5.2
367.07962	3.5
367.11948	5.1
368.12708	3.5
369.11908	3.4
373.07095	9.8
375.08679	3.8
377.06430	5.3
379.07993	24.4
383.14963	26.3
391.08194	42.8
393.09537	4.2
401.10440	2.8
403.08044	5.0
407.07620	4.6
408.08429	2.7
409.09183	36.6
411.14447	2.4
419.07281	4.0
421.09296	10.5
427.10101	17.6
431.07477	2.9
439.09995	6.7
447.10651	5.2
457.11081	9.9
463.10193	9.7
465.98199	2.5
475.09854	10.6
481.11246	39.9
493.11356	44.5
511.12335	55.9
529.13342	10.1
546.33124	9.3
547.20386	7.2
547.34790	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	547.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
55.05529	2.5
56.96535	2.1
57.03424	2.6
61.02916	3.3
67.05498	2.5
69.03426	6.3
69.07064	2.6
70.06610	14.9
71.04996	2.4
71.61111	2.9
72.08162	8.1
73.02882	2.3
79.05475	2.5
81.03410	8.4
81.07046	4.6
82.01949	2.2
84.04507	3.0
84.08141	4.7
85.02904	7.1
86.09709	6.6
89.06043	12.7
91.05490	5.9
91.75864	2.0
93.07085	2.2
97.02898	6.4
98.97577	4.0
99.04468	2.7
105.07062	2.8
107.04930	5.1
107.08475	2.3
109.02883	7.2
111.04417	2.8
115.05495	2.2
116.07104	3.2
116.98475	2.0
117.03416	1.8
119.04932	11.2
120.08111	2.2
121.02879	33.6
121.06499	2.0
127.03907	3.8
131.04971	2.9
133.08607	7.5
135.04463	2.4
137.05969	5.0
145.02853	13.4
147.04410	9.1
151.03893	2.6
160.07542	3.5
161.05971	3.7
163.03896	6.2
167.07059	7.0
171.04405	2.1
172.70461	2.1
175.03906	9.0
177.01778	2.0
177.05476	13.4
179.03479	2.8
179.06987	2.2
181.04955	3.4
189.01907	5.7
189.05470	2.3
191.03352	6.4
195.02916	4.8
201.05429	7.0
203.03360	9.2
205.01317	4.9
205.12274	3.2
207.02910	6.1
207.06439	10.2
211.04239	2.1
213.05510	2.7
215.03427	8.4
217.05151	4.6
219.02861	5.0
223.02235	3.2
224.89064	2.1
229.05048	3.0
231.02876	3.6
231.06697	3.9
233.04329	2.5
243.02943	4.8
246.14879	7.6
266.08878	2.5
267.06534	4.3
279.06491	6.2
281.08240	5.6
283.05975	6.4
284.06839	2.3
291.06540	3.2
293.08066	4.6
294.05270	9.3
295.06030	47.4
296.06949	4.3
297.07623	3.4
305.07965	3.9
306.08755	2.6
307.05984	22.8
308.06711	10.6
309.03976	6.1
309.07602	25.6
310.04617	5.8
311.05496	6.9
313.07162	3.3
319.06107	5.2
320.06625	6.6
321.07593	32.2
322.04675	3.3
322.08331	4.1
323.05533	41.0
323.08997	5.5
324.06119	3.7
325.07092	29.0
333.07608	17.2
334.08170	3.2
335.05399	6.3
335.09180	13.6
337.07047	35.3
339.08749	4.5
341.06451	7.0
345.07550	9.1
347.09354	4.3
349.07065	33.7
349.11014	1.7
351.08569	10.8
353.06454	22.6
361.07086	27.5
363.08694	14.9
365.06497	16.7
367.08127	6.3
373.06802	5.3
375.08621	8.3
376.06519	2.7
377.06516	19.9
379.08121	20.5
389.06512	14.2
389.10840	3.1
391.08017	27.8
395.07532	8.2
401.10400	2.6
403.08228	9.7
407.07596	48.0
409.09177	26.2
419.07336	10.2
419.25757	2.5
421.09033	7.9
427.10303	21.2
431.07529	6.8
437.08484	3.5
439.10065	7.5
447.10727	2.4
449.08417	11.6
457.11191	17.1
463.10269	9.3
467.09311	3.3
475.10226	5.6
481.11325	71.7
493.11346	30.1
511.12411	100.0
520.44434	2.5
529.13031	11.6
547.14709	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	547.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20208	0.2
53.03948	0.5
56.96568	0.3
60.66346	0.2
65.03943	2.5
67.05505	0.3
70.73846	0.3
70.74158	0.3
71.06772	0.2
75.61488	0.2
79.05494	2.3
81.07060	0.7
91.05487	21.6
93.07040	0.4
95.04984	0.6
95.08626	0.4
105.04529	0.2
105.07025	0.7
107.04963	5.9
109.06547	0.2
109.10200	0.3
115.05437	0.5
117.07003	0.3
119.04950	37.8
120.05289	0.2
123.04405	0.4
124.05203	0.6
125.05994	0.4
127.04082	0.2
128.06230	0.4
129.06982	0.4
133.06509	0.5
137.05968	0.3
141.06998	1.2
144.05765	0.4
145.06448	0.4
147.04417	100.0
148.04761	0.7
152.04709	0.3
157.06502	1.6
158.07285	0.6
159.08073	0.4
166.06282	0.6
167.07065	6.0
169.06491	0.6
170.07280	2.1
171.08034	0.2
173.06003	0.7
181.08623	0.7
186.06752	1.9
187.07541	0.9
190.07854	0.3
191.08607	0.5
194.07246	0.3
198.06845	0.3
199.07617	0.3
200.08362	0.9
201.09113	1.6
202.07823	0.7
203.08595	0.8
203.10452	0.2
205.06567	0.4
205.08594	0.5
207.08208	0.3
209.09653	0.3
211.07474	0.3
214.06297	0.4
215.06783	0.3
215.08681	0.5
216.07848	1.0
218.07326	0.6
219.08107	2.0
219.10081	0.4
220.08907	1.3
222.06856	0.3
229.08627	4.7
230.07372	0.3
231.08064	1.6
231.10216	3.2
232.08798	0.5
233.06117	0.6
233.09596	1.1
234.06747	0.5
234.10370	0.3
235.07666	0.4
235.11156	0.4
237.09093	0.6
243.08290	0.3
245.06009	0.3
245.09608	0.6
246.06711	0.5
247.07498	3.5
248.08310	3.4
249.09151	0.9
250.06372	0.5
251.07069	0.5
258.06665	0.4
259.07715	1.0
260.08295	0.6
261.05554	0.4
261.09137	1.3
262.06467	0.3
262.09958	1.6
263.07318	0.5
263.10681	2.1
264.07831	0.8
265.08597	1.6
266.09189	0.3
269.08136	0.3
273.09064	0.7
274.06192	0.2
275.07025	2.3
276.07819	2.8
277.05664	0.3
277.08661	1.7
278.05734	0.4
279.06589	0.6
279.10153	0.6
280.11121	0.3
281.08270	0.3
287.07031	0.3
289.08698	0.8
290.09302	2.2
291.06766	0.3
291.10141	4.6
292.07346	1.4
292.10553	0.4
293.08145	3.3
294.08905	0.5
295.05969	0.3
297.11340	0.3
303.06564	0.4
304.07574	0.5
305.08075	1.2
305.11838	0.7
306.09036	0.3
307.06296	0.3
307.09583	2.4
308.10339	1.9
309.11295	0.4
310.08389	0.3
315.08746	0.4
318.08954	0.7
319.09598	2.7
320.06824	0.5
320.10394	0.5
321.07654	1.7
321.10907	0.4
322.08414	1.0
322.11917	0.4
323.09186	0.5
323.12778	3.0
325.10764	0.7
335.09137	0.7
336.09921	2.1
337.00513	0.2
337.10641	2.3
338.07849	0.5
340.12897	0.3
349.16632	0.4
350.11563	0.6
350.81540	0.2
351.12286	7.7
352.13120	0.8
353.10156	3.3
355.15408	0.9
367.17566	0.4
368.12592	3.2
379.11832	0.3
383.14905	36.7
384.15350	0.7
385.18820	0.4
411.14276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01860	0.6
55.05507	0.6
65.03938	2.8
67.05502	1.1
69.03429	0.5
69.07060	0.8
69.30279	2.6
79.05505	3.7
81.03454	0.5
81.07053	1.6
83.04984	0.4
85.02905	0.4
91.05487	21.8
93.07018	0.6
95.04960	1.2
95.08596	0.5
96.12428	0.3
97.06543	2.0
105.07034	0.9
107.04958	7.3
107.08579	0.6
109.10132	0.6
115.05441	0.4
116.06208	0.3
119.04951	38.3
119.08541	0.4
121.06493	0.6
121.10163	0.4
124.05199	1.1
128.06279	0.5
129.06953	0.4
130.07750	0.4
131.08594	0.4
133.06477	0.5
133.10103	0.4
137.05930	0.5
141.06970	2.1
145.06473	0.4
145.10118	0.6
147.04417	100.0
148.04709	0.5
149.05949	0.3
152.04704	0.5
153.05470	0.4
157.06512	1.8
158.07256	0.9
159.08034	0.5
159.11676	0.4
163.03859	0.4
166.06271	0.7
167.07053	7.1
169.06522	0.7
170.07285	2.3
171.08009	0.4
173.06006	0.4
173.09526	0.3
177.05495	0.5
181.08578	0.9
181.10074	0.3
186.06767	2.1
187.07536	0.6
188.08424	0.5
189.06996	0.7
190.07748	0.5
191.08554	1.0
198.06729	0.6
200.08305	0.6
201.09160	1.7
202.07906	0.6
203.08559	0.5
205.06563	0.7
215.06915	0.6
216.07814	1.0
218.07281	0.6
219.08133	1.8
220.08844	1.5
222.06776	0.3
229.08620	5.3
230.07272	0.5
231.08057	1.8
231.10196	5.1
232.08781	0.6
233.05989	0.7
233.09607	1.3
234.06807	0.8
234.10497	0.4
235.07521	0.5
236.08171	0.5
237.09172	1.0
244.08803	0.4
245.09659	1.2
247.07574	4.4
248.08403	3.0
249.09094	0.9
250.06300	1.0
251.06976	0.8
251.10666	0.7
255.15965	0.4
259.07513	1.0
260.08392	0.7
261.09009	1.6
262.06479	0.6
262.09952	1.8
263.10754	3.0
264.07828	0.9
265.08627	1.8
273.09198	0.5
275.07104	2.3
275.09842	0.3
276.07870	2.6
276.36646	0.3
277.05270	0.6
277.08548	1.5
278.05707	0.6
278.09204	0.4
279.06699	0.8
279.10251	1.1
287.07025	0.4
289.08566	0.9
290.09302	2.2
291.10168	4.7
292.07278	1.4
292.10550	0.3
293.08136	3.6
297.11362	0.3
298.52643	0.3
301.14108	0.4
305.07974	1.3
305.11551	0.6
307.06250	0.6
307.09677	2.4
308.10300	2.5
310.08423	0.4
318.08966	0.5
319.09616	3.5
320.06808	0.4
320.10400	0.5
321.07596	2.2
321.11105	0.7
322.08340	1.3
322.11935	0.6
323.12869	3.7
325.10706	1.0
335.09113	1.3
336.09973	2.4
337.10748	3.1
337.14276	0.6
338.07788	1.1
340.12872	0.4
349.23782	0.4
350.11670	0.9
351.07968	0.5
351.12308	8.0
352.12802	0.9
353.10181	3.8
354.20731	0.4
355.15314	2.0
367.24692	0.4
368.12561	4.8
373.16428	0.4
383.14908	46.4
384.15118	0.6
401.15863	0.5
411.14291	0.9
547.21899	0.4
547.35583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05497	0.4
56.76793	0.3
57.45103	0.3
59.13575	0.4
65.03938	3.4
67.05496	0.8
69.03441	1.0
69.07072	0.4
71.59591	0.5
73.51841	0.4
79.05493	3.1
81.03423	0.7
81.07050	1.5
83.04999	0.6
85.02900	1.0
85.71443	0.4
89.03938	0.6
91.05481	22.7
93.07038	0.5
95.04977	1.2
97.02909	0.5
97.06529	1.1
103.05484	0.6
105.07046	1.2
107.04961	6.6
107.08590	0.4
109.02894	0.5
111.04465	0.4
115.05443	0.9
117.07010	0.4
119.04946	38.0
119.08547	0.5
121.02839	0.7
121.10190	0.4
122.03657	0.5
123.04464	0.4
124.05212	0.9
125.05988	0.6
125.09603	0.5
127.03920	0.5
129.06990	0.8
131.04941	0.9
133.06519	0.8
133.10112	0.6
137.05991	3.5
141.07016	1.3
144.04465	3.2
145.02864	0.6
145.04759	1.7
145.06496	1.1
147.04410	100.0
148.04874	0.4
150.04631	0.4
151.07614	0.4
152.04639	0.8
153.05489	0.6
157.06477	1.5
158.07242	1.2
161.05994	0.7
163.03979	0.4
167.07042	8.0
169.06502	0.6
170.07272	2.9
171.08035	0.4
173.05992	0.6
175.03944	1.0
177.05487	1.5
178.10727	0.4
181.04944	1.2
181.08582	0.8
185.06065	0.5
186.06776	1.6
187.07585	1.1
190.07820	0.6
191.07027	1.5
191.08565	0.7
193.08604	0.4
200.08391	0.8
201.05487	0.7
201.09145	2.0
202.07899	1.0
203.06961	0.6
203.08728	0.7
203.10622	0.4
205.06566	0.9
205.08635	1.2
206.07372	0.4
207.06516	0.9
207.08182	0.5
215.08701	0.5
216.07761	0.6
217.08611	0.6
218.07237	0.7
219.08124	2.6
220.08842	1.2
229.08571	4.5
230.07246	0.5
231.08066	1.8
231.10234	4.5
232.08774	0.4
233.06029	0.7
233.09697	1.6
234.06686	0.5
235.07574	0.5
237.09242	0.7
245.09628	0.7
246.77901	0.4
247.07549	3.9
248.08327	2.6
249.09270	0.5
250.06305	1.0
251.10773	0.5
259.07535	0.7
260.08383	0.8
261.09119	1.1
262.06332	0.5
262.09930	1.4
263.07062	0.8
263.10715	2.8
264.07791	1.0
265.08664	2.2
275.07007	1.8
276.07794	2.8
277.05307	0.6
277.08640	1.9
278.05713	0.5
278.09402	0.4
279.06839	0.7
279.10138	1.2
280.07553	0.4
280.10840	0.6
282.09109	0.4
289.08499	0.4
290.06165	0.4
290.09378	1.6
291.06918	0.7
291.10074	4.4
292.07474	1.8
292.10672	0.5
293.08145	3.0
298.10858	0.7
299.11142	1.4
304.07251	0.6
305.08139	2.0
305.11337	0.8
307.06516	0.4
307.09650	2.5
308.07394	0.4
308.10281	2.0
309.11258	1.0
309.14822	0.4
311.12830	0.6
319.09674	3.0
320.06870	0.7
320.10577	0.6
321.07648	1.5
321.11182	0.6
322.08310	0.7
322.11810	0.9
323.12799	2.9
325.10858	1.4
335.09210	1.0
336.09787	2.2
337.10809	2.5
338.07901	0.6
340.12939	0.5
350.11655	0.8
351.12305	6.4
352.13129	0.5
353.10129	3.3
355.15573	1.3
366.26871	0.5
367.11740	0.9
368.12643	3.5
379.12094	0.4
383.14893	37.8
384.15298	0.6
411.14310	0.7
546.33246	2.1
547.20618	1.1
547.34381	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61121	2.7
53.03939	4.7
55.01873	4.5
55.05513	31.6
57.03433	11.3
57.07059	7.5
57.73910	2.4
65.03940	4.4
67.05508	93.8
69.07068	28.9
71.04993	6.9
71.08643	3.8
71.30944	5.4
79.05495	56.0
81.03426	15.1
81.07062	100.0
83.04988	8.3
83.08644	17.0
85.06537	4.9
91.05477	40.0
93.07049	66.1
94.50192	2.5
95.04984	14.2
95.08614	68.2
97.06528	11.5
97.10191	13.0
105.04542	3.6
105.07026	34.7
106.07421	2.8
107.04945	6.5
107.08602	39.7
109.06506	4.8
109.10146	27.8
111.08089	6.0
117.07014	12.2
119.08612	29.5
121.06451	2.9
121.10136	28.6
123.08008	3.5
123.11703	14.2
125.09621	8.3
129.06989	8.6
131.08563	19.5
133.10133	23.5
135.08067	3.7
135.11699	16.4
137.09592	3.1
137.13301	2.7
143.08545	8.0
145.10124	24.1
147.11708	15.7
149.09610	5.0
149.13280	20.7
155.08554	3.5
157.10138	7.9
159.11716	14.6
161.13254	9.3
163.11240	3.5
163.14856	6.5
165.12791	5.0
169.10104	5.0
171.11710	4.4
173.11932	2.8
173.13274	11.9
173.14624	2.8
175.14827	4.4
177.12791	5.4
183.11841	3.2
184.51009	2.6
184.89604	2.6
185.13242	4.5
187.14827	6.0
189.11243	6.1
193.12253	4.9
195.13835	7.6
197.13315	4.3
199.14925	4.0
213.16461	3.5
232.21222	2.5
243.21194	2.6
244.30806	2.7
261.22159	11.6
263.23618	4.5
267.15930	12.1
269.17453	17.7
289.21674	3.2
301.25165	3.3
303.26535	3.1
335.25891	19.9
337.27328	8.8
437.34076	8.8
455.35358	14.9
473.36136	9.3
484.21246	2.8
511.37900	3.6
529.31409	5.4
529.38861	71.2
547.40161	59.6
548.39819	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63480	1.8
53.03940	3.5
53.15284	1.6
55.01868	5.7
55.05256	2.9
55.05515	47.0
55.39483	1.7
56.04316	1.7
57.03440	12.8
57.07068	9.6
58.42488	1.9
63.21551	1.9
65.03949	3.9
67.05508	97.2
69.03409	3.8
69.06718	2.2
69.07074	36.5
69.22073	19.5
70.51971	1.9
70.94823	2.1
71.05000	21.1
71.08630	4.6
79.05494	51.8
81.03426	38.7
81.07064	78.9
82.40447	2.1
83.04980	10.6
83.08620	33.1
85.06552	4.5
85.10188	2.4
91.05483	40.3
91.39642	1.6
93.07049	49.2
95.04977	29.4
95.08611	64.0
97.06521	9.4
97.10164	20.7
99.08093	4.4
105.07034	33.3
107.04958	10.8
107.08599	38.6
109.06492	6.4
109.10162	37.1
111.04464	1.9
111.08080	6.4
111.11737	2.4
113.09615	2.1
117.07027	12.8
119.08585	30.7
121.06522	9.5
121.10162	25.4
123.08058	6.0
123.11736	11.2
125.09661	12.1
125.10397	1.9
129.06996	8.5
131.08574	20.2
133.10143	18.8
135.08044	4.9
135.11688	18.1
137.09613	6.2
137.13220	2.3
141.06995	2.9
143.08580	5.4
145.10146	16.6
147.08086	2.4
147.11668	12.9
149.09619	3.8
149.13225	5.8
151.11154	3.0
157.10144	9.7
159.11700	9.5
161.13269	7.2
163.11157	11.7
163.14842	4.8
165.12756	2.9
169.10098	2.5
171.11691	4.1
173.13319	3.4
175.11215	4.5
175.14842	4.5
177.12779	3.4
181.12270	4.0
183.11766	3.3
185.13243	2.9
189.11218	7.9
189.16441	2.6
189.43860	1.9
193.12241	14.0
197.13287	2.5
205.12331	2.2
213.16444	2.6
227.12758	23.2
241.17960	2.4
245.22668	3.8
249.14665	2.6
263.23639	5.1
267.15930	29.7
275.20096	2.4
285.25677	2.2
289.21555	5.0
293.21231	2.8
303.23621	2.7
303.26776	12.3
317.24551	2.9
329.21338	2.2
337.27353	26.2
343.26740	3.0
361.27249	2.3
419.32828	1.9
421.25732	2.1
437.34082	6.7
446.29877	2.3
455.35226	16.4
473.36371	10.7
503.37289	6.9
511.37915	2.5
515.37146	3.3
529.38934	61.1
547.40265	100.0
548.40747	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	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00716	1.6
53.03946	6.1
55.01871	6.0
55.05252	2.5
55.05512	41.5
57.03437	17.3
57.07076	10.7
65.03938	4.8
67.05507	91.3
68.05829	1.7
68.87746	1.3
69.03415	2.5
69.06707	3.2
69.07068	40.7
69.25922	5.8
69.26340	9.6
71.04990	6.1
71.08633	4.0
72.04521	14.1
74.09742	1.9
77.03906	2.2
79.05045	3.0
79.05499	49.3
80.05814	1.5
81.03421	53.3
81.07059	93.9
82.07401	2.2
83.04993	7.5
83.08620	41.0
85.02892	3.5
85.06548	4.4
91.05482	40.3
93.07048	49.9
94.07340	1.8
95.04973	34.7
95.08608	67.7
96.08949	1.8
97.02863	1.5
97.06523	8.0
97.10174	27.9
98.21443	3.1
99.08070	2.3
105.07040	35.3
107.04950	15.6
107.08601	35.2
109.06516	5.8
109.10160	31.5
111.08087	8.3
111.11729	3.9
117.07034	13.9
119.08586	31.5
121.06532	12.3
121.10149	27.2
123.08081	4.2
123.11716	11.2
125.09644	14.0
129.07008	10.7
131.08569	21.3
131.20244	1.7
133.06496	5.7
133.10136	21.4
135.08060	4.3
135.11699	12.8
137.09627	2.4
137.13281	4.6
139.11137	2.0
142.07884	2.1
143.08588	6.6
145.06496	2.0
145.10139	18.0
147.08066	4.4
147.11671	14.4
149.08661	1.5
149.09586	7.7
149.13286	6.6
151.07591	1.4
151.11205	4.2
153.12811	1.7
155.08621	2.4
157.10141	9.5
157.64645	1.5
159.11629	7.8
159.59372	1.4
161.13277	6.3
163.11143	11.4
163.14848	5.6
164.11543	2.5
165.12782	2.6
169.10106	1.8
171.10330	1.9
171.11714	5.4
173.11874	1.4
173.13304	4.1
175.11139	8.2
175.14836	6.7
177.12781	4.6
177.16444	3.5
179.17975	2.3
185.13271	4.2
187.14853	3.1
189.11250	9.0
189.16405	3.2
189.44450	2.1
193.12271	23.5
199.14848	3.1
201.16429	2.3
203.18077	1.7
205.12299	1.8
207.13783	1.6
211.13342	6.7
215.18159	2.0
216.14006	1.7
217.15854	2.2
223.13260	3.5
227.12785	17.3
228.13206	4.6
231.13878	1.6
241.18036	3.9
242.41457	1.7
245.22691	6.8
249.14961	3.1
263.23651	7.5
267.15915	49.7
285.25830	3.0
287.23804	2.9
289.21750	3.8
301.25293	2.6
303.23495	3.5
303.26758	15.4
305.24860	1.9
319.26440	2.3
337.27371	42.2
340.19159	2.1
341.19409	2.2
343.26431	1.9
361.27451	2.6
364.27710	1.6
383.99045	1.7
397.25766	2.6
437.34061	9.1
455.35349	22.0
473.36252	14.9
503.37296	2.3
511.37665	2.3
529.38879	69.8
547.39954	100.0
548.40173	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01856	7.0
55.05507	23.9
57.03447	23.3
61.02914	8.7
67.05507	48.4
69.03411	6.5
69.07060	17.2
71.59630	6.2
79.05495	57.9
81.07050	63.4
83.08605	14.6
85.02898	9.8
87.72273	4.9
91.05487	52.7
93.07041	66.9
95.04971	7.9
95.08621	48.4
97.02875	8.5
103.05477	5.3
105.07031	39.1
107.04887	4.6
107.08592	37.3
109.02882	5.8
109.06554	9.4
109.10156	17.9
117.06985	12.7
119.04952	15.6
119.08594	36.7
121.10138	30.6
123.08065	6.2
123.11712	6.2
129.06982	8.3
131.08598	27.0
133.10118	27.6
135.11697	25.6
143.08586	7.8
145.10121	21.4
147.04411	46.1
147.11661	25.1
148.04729	18.3
149.13268	12.6
157.10077	10.1
159.11697	20.6
161.13237	19.5
171.11668	8.3
173.13304	10.0
177.12871	9.5
185.13263	8.5
187.14828	10.5
199.14937	5.6
205.15845	8.3
219.17540	7.8
241.19492	18.4
259.20505	37.3
269.17465	7.5
272.26419	4.8
277.21713	31.7
351.25302	100.0
384.15411	7.0
388.34888	5.0
509.34113	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09174	3.8
55.01881	6.6
55.05522	19.2
57.03442	12.7
59.04990	3.3
61.02920	6.2
67.05508	48.5
69.03420	5.5
69.07073	23.5
69.83452	21.7
70.06587	4.8
70.96382	3.6
71.05006	3.9
79.05504	38.6
81.07069	52.1
83.08614	12.6
85.02914	8.5
85.06554	7.6
87.96541	3.8
91.05483	44.8
93.07047	54.7
95.04970	7.9
95.08612	44.7
97.02876	6.6
97.06552	9.3
97.10184	4.6
98.21428	5.2
99.08129	5.0
99.25930	3.7
105.07027	36.4
107.08591	33.7
109.06487	9.5
109.10152	19.6
111.08072	4.5
112.79350	3.6
117.07005	6.3
119.04968	4.6
119.08606	40.8
121.10150	23.7
123.08066	4.2
125.09625	6.2
127.03940	4.7
129.07030	6.5
131.08574	15.8
133.10139	26.1
135.11699	26.6
143.08577	7.8
145.10129	17.7
147.04395	11.1
147.11707	27.6
149.13274	11.9
155.08755	4.0
157.10101	7.3
159.11668	19.4
161.13321	18.3
163.11143	3.8
165.12759	4.4
169.37102	3.7
171.11719	8.1
173.13293	9.2
175.14813	12.5
185.13216	9.0
187.14815	13.7
229.14401	18.0
241.19502	8.5
259.20572	28.2
277.21591	35.5
338.22339	4.1
351.25336	100.0
542.83301	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	549.1243
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.35175	0.1
57.23319	0.1
57.31835	0.1
61.56187	0.1
69.03424	0.2
70.06618	0.1
71.11113	0.3
76.78164	0.1
81.03431	0.3
85.02908	0.2
90.37762	0.1
91.05491	0.3
109.02895	0.1
119.04955	0.4
121.02798	0.1
127.03931	0.1
133.02827	0.1
133.03954	0.1
137.06007	0.4
145.02882	0.1
146.05878	0.1
147.04424	0.6
149.06027	0.2
151.03947	0.2
153.01833	0.6
167.07094	0.2
175.03894	0.2
177.05505	0.2
181.05049	0.2
184.07643	0.1
196.07538	0.2
207.06584	0.3
217.49849	0.1
229.05026	0.2
255.06445	0.2
257.04443	0.1
258.05258	14.5
259.05740	0.2
286.04724	36.0
287.05072	0.5
301.07068	100.0
302.07343	1.3
350.13644	0.1
446.70526	0.1
463.12302	1.7
531.11292	0.3
549.12524	2.5
549.20508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1609
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
53.03944	2.4
57.03428	7.1
59.48330	1.7
61.02924	3.7
63.10790	1.7
65.03944	3.6
67.05497	3.5
68.99778	2.0
69.03432	28.0
69.23254	16.1
69.23653	3.2
70.06605	3.5
71.04990	16.8
76.02225	2.6
81.03420	4.3
81.07047	4.4
83.04982	2.8
84.04500	2.1
84.08117	2.0
85.02905	24.3
86.09708	3.0
91.05486	6.6
93.03385	2.4
93.07030	4.0
95.05006	2.1
97.02890	5.9
103.05461	1.8
105.07043	8.7
107.04969	5.3
107.08595	5.6
111.04420	3.8
117.03394	1.8
117.75047	1.7
119.04960	12.1
121.02877	53.8
121.03828	2.7
121.06526	3.6
121.10130	2.6
123.08087	2.8
127.03884	3.4
127.95043	1.6
129.05473	2.7
131.04933	5.0
131.08664	1.8
133.06520	3.7
133.10147	6.0
135.04396	2.9
135.11763	2.4
137.05980	4.7
139.22629	1.8
145.02823	7.3
145.06488	2.3
147.04427	5.5
149.05965	2.5
149.09586	3.8
151.07596	1.8
158.06219	1.8
161.05975	3.9
163.03891	4.5
163.11179	5.2
165.01843	5.9
167.07120	3.1
173.07582	1.7
175.03900	5.7
177.01881	3.9
177.05481	6.9
179.03412	5.6
181.04979	4.0
185.06146	2.8
187.03928	3.0
189.01778	11.5
189.12753	3.9
191.03441	6.1
193.15698	2.4
195.02921	7.9
201.05585	2.8
203.03363	17.7
205.04950	3.9
207.02937	6.7
207.06555	5.0
207.13797	30.1
215.03424	6.5
217.04933	6.1
217.08203	1.9
219.02872	5.2
221.04477	5.3
227.03491	2.9
229.04942	6.2
231.02916	5.4
233.04628	2.7
241.04938	3.0
243.02956	2.7
245.04343	2.3
267.06573	5.7
268.07266	4.7
271.05972	3.1
279.06509	5.3
281.08124	6.2
283.03253	3.3
283.06061	35.9
284.06732	6.4
292.07352	4.4
293.08051	6.0
294.05206	18.4
295.06012	61.3
295.09372	3.5
296.06775	8.8
297.07544	15.4
305.08118	4.9
306.08951	3.3
307.06015	44.4
307.09494	3.9
308.06772	16.6
309.07556	32.1
311.09195	2.6
313.07101	25.2
317.08051	4.3
319.06058	7.3
319.09592	3.1
320.06824	8.5
321.07590	62.2
322.08316	4.9
323.05658	3.5
323.09128	7.8
325.07053	46.6
329.07919	3.5
331.09677	3.6
333.07602	21.7
334.08365	6.2
335.05548	4.0
335.09091	16.4
336.06277	3.8
337.07056	68.9
337.11075	4.4
339.08661	5.7
345.07794	12.8
347.05472	3.2
347.09143	12.7
349.07037	60.6
349.11227	3.7
350.07675	2.1
351.08588	22.3
355.08151	6.6
359.09262	5.1
361.07089	18.7
363.08688	25.2
365.06335	2.8
367.08087	45.6
369.13116	2.0
373.07141	13.4
373.11160	2.8
375.08661	24.0
377.10202	4.6
379.08148	43.7
385.09335	16.2
387.08752	10.5
389.10291	4.4
391.03098	2.5
391.08130	40.8
393.09659	26.2
401.10098	2.2
403.10519	23.4
405.09689	17.0
409.09210	49.7
411.10760	31.4
413.09995	5.5
415.07898	6.6
417.09772	4.7
419.11441	3.0
421.09125	5.2
423.10849	10.4
427.10297	27.4
429.10654	4.5
431.11163	4.5
433.09082	14.1
441.11487	13.4
445.11194	2.9
447.10910	14.2
451.10016	6.0
459.11008	21.6
465.11746	22.7
469.11130	7.8
477.11835	33.1
483.12823	23.5
495.12891	100.0
496.13080	3.2
513.13959	53.8
529.54077	2.3
531.14984	15.9
549.19354	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	549.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.7
69.03436	26.3
69.66566	13.6
76.02236	2.3
85.02922	5.9
91.05485	3.4
94.31398	2.2
98.21485	2.7
105.07025	3.6
107.04964	4.4
107.08537	3.0
119.04932	11.8
121.02866	40.3
123.08006	2.7
131.08569	3.0
133.10143	7.6
145.02827	5.8
167.07059	3.8
175.03938	2.6
177.01849	4.6
177.05446	3.9
181.04915	3.0
189.01839	11.6
189.12750	2.9
191.03419	5.1
191.14319	3.4
195.02827	5.7
203.03442	15.7
207.02925	5.3
207.06491	2.4
207.13834	25.2
215.03426	5.5
217.04964	3.6
221.04408	3.6
229.05003	5.3
233.04536	4.1
269.04572	2.9
279.06522	7.3
281.08047	2.9
283.06033	8.6
284.06857	3.5
292.07437	2.2
293.08151	3.4
294.05240	14.9
294.08203	2.3
295.06055	45.7
296.06854	7.2
297.07690	6.6
301.10187	2.4
305.08167	5.2
307.06042	41.0
308.06729	16.9
309.07513	21.7
311.05646	2.8
312.74625	2.1
313.07059	8.3
319.06165	3.7
320.06711	7.4
321.07593	50.6
322.08316	8.7
323.05670	3.5
323.09216	9.0
325.07092	51.6
325.10864	3.1
331.09631	4.6
333.07550	24.3
334.08295	5.2
335.09134	15.1
335.12491	2.2
336.06113	5.5
337.03091	5.2
337.06995	48.8
339.08496	4.6
343.09412	3.2
345.07587	12.9
347.09064	13.9
349.07034	40.2
349.10867	4.4
351.08603	20.9
355.08221	5.0
359.09076	7.9
361.07190	22.9
362.07678	3.8
363.08569	28.4
367.08218	8.3
373.06995	14.7
375.08783	21.9
379.08099	41.9
385.09866	2.9
387.08594	11.6
391.08105	46.5
393.09683	28.8
397.09039	3.0
403.07913	6.8
405.09540	19.4
406.08591	2.5
409.09219	56.6
411.10846	28.5
413.10239	4.0
415.08151	9.7
417.09933	3.5
421.08621	3.0
423.10782	14.5
427.10406	30.7
429.11044	5.0
431.11072	5.2
433.09344	18.5
441.11023	9.3
445.11377	3.1
447.10791	13.8
449.12491	3.4
451.10007	7.1
459.10947	17.9
465.11847	34.8
469.11194	11.0
477.11798	34.2
483.12857	31.3
494.24847	3.1
495.12927	100.0
507.66556	2.6
513.13965	64.5
531.15045	17.9
549.17438	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	549.1607
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
52.19978	1.3
53.03928	1.9
55.01871	2.6
57.03439	7.1
62.19131	1.3
69.03424	4.9
69.28941	6.1
69.29363	7.4
71.04996	38.4
79.05482	1.5
81.03386	3.3
81.07081	1.7
85.02424	2.0
85.02908	37.0
86.09676	2.1
87.04449	1.8
91.05468	5.5
93.07085	1.8
95.04969	2.2
97.02869	2.8
98.20778	3.3
105.07007	2.5
107.04915	3.1
119.04929	7.3
121.02863	14.9
127.03896	2.2
129.05460	6.5
131.40729	1.4
133.06491	2.3
137.05975	5.4
141.01776	1.8
145.02876	7.4
145.05026	1.4
147.04449	3.3
159.85634	1.5
163.03896	4.5
165.01848	11.3
167.07098	2.6
175.03937	5.6
177.05453	10.0
179.03404	1.6
181.04948	2.7
183.02859	1.7
187.03941	2.5
189.01842	1.5
191.03377	2.6
195.02919	2.3
203.03401	4.7
207.06493	7.2
217.05135	1.9
229.04942	2.9
231.02908	2.5
234.06532	1.4
239.07156	1.6
247.07465	1.5
255.06570	1.9
258.05289	8.0
267.06561	8.1
270.05133	1.8
271.06012	8.1
277.08539	1.5
279.06558	3.7
281.08096	12.5
283.06021	93.3
284.06812	9.2
286.04675	20.1
293.08102	6.6
294.05270	4.0
295.06039	18.7
297.07581	13.6
301.07065	63.0
301.10562	2.5
305.08142	1.9
307.05969	9.2
308.06653	3.9
309.07584	41.2
311.09174	5.5
313.07059	57.3
314.06949	1.7
320.06845	2.5
321.07578	50.6
322.08008	1.5
323.05536	2.0
325.07056	16.4
333.07678	3.7
335.09119	2.5
337.07059	73.7
339.08707	6.7
339.12198	1.7
343.08215	1.6
349.07077	40.7
351.08755	4.1
361.07007	2.6
363.08640	3.1
367.08157	100.0
379.07999	4.0
385.09186	36.7
391.08221	3.8
393.09714	2.7
403.10278	98.8
404.10339	2.0
405.20959	1.6
409.09106	5.0
411.10959	1.9
413.10388	1.9
427.10065	5.2
447.10962	1.7
465.11789	3.0
483.12885	4.8
495.12686	5.2
513.14008	3.2
549.19104	2.5
573.35187	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	549.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01879	2.9
57.03425	6.1
58.58522	1.7
60.59399	1.7
61.02916	5.9
67.56454	1.4
69.03435	23.0
69.36684	14.7
69.37095	3.4
70.06586	4.8
71.05003	2.4
73.02898	3.5
74.06045	1.9
81.03419	7.9
85.02914	28.5
86.09721	2.5
87.04458	2.9
91.03933	1.9
91.05484	5.0
93.52934	1.6
97.02901	11.8
97.06500	1.7
98.97604	1.9
99.04461	4.5
105.07020	3.8
107.04952	1.9
107.56738	1.7
109.02898	4.9
111.04412	2.0
115.03948	2.0
117.07022	3.9
119.08547	2.5
127.03911	6.2
131.08522	1.9
137.05988	3.8
145.04950	3.9
145.06534	4.9
153.05476	5.2
159.08090	1.9
161.05983	2.5
165.06981	2.3
167.07043	26.0
173.05960	4.2
177.05473	2.3
178.07799	2.7
181.04942	6.0
181.06485	3.1
187.07492	2.8
189.07036	3.4
190.07890	3.3
191.08594	4.7
193.10144	2.5
194.07416	2.6
195.08086	2.8
197.09721	2.1
203.08537	2.6
205.06512	4.5
206.07318	4.5
207.06424	2.6
207.08136	5.2
207.13785	4.6
208.08849	4.0
218.07318	10.9
219.08176	14.3
220.08936	3.0
221.05884	5.5
221.09645	5.6
222.06804	2.3
223.07680	3.0
231.08031	6.5
232.08890	3.1
233.06056	4.3
233.09641	8.8
234.06779	20.9
235.07463	14.2
236.08331	7.3
237.05516	2.1
237.09180	3.6
241.08559	2.6
246.06836	5.6
247.07535	18.3
248.08278	10.6
249.05382	3.8
249.06523	2.3
249.09120	26.7
250.06224	3.5
250.09840	4.3
251.06996	5.1
251.10661	2.9
254.60101	1.9
259.07477	2.3
260.08276	11.2
261.05533	2.5
261.09143	12.4
262.06256	6.4
263.06998	12.4
263.10577	4.0
264.07855	20.4
265.08545	7.9
269.08264	2.3
274.06320	2.4
275.06973	4.5
276.07880	6.0
277.08591	25.6
278.05930	3.1
278.09424	6.8
279.06573	8.8
279.10190	14.6
281.08154	4.2
281.11569	2.4
283.13239	3.1
285.10995	2.3
289.08572	4.6
290.09537	3.1
291.06625	5.8
291.10226	5.9
292.07291	4.1
293.08066	9.4
293.11536	3.9
294.08887	2.9
295.09610	6.4
296.10507	4.0
301.10565	4.0
305.08105	4.0
306.08887	6.4
307.09625	29.8
308.10349	3.8
309.07678	4.1
309.11218	18.5
311.09134	10.0
311.12784	6.6
319.09653	5.3
321.11234	24.0
323.09000	6.7
323.12817	6.0
324.09824	7.6
325.10785	4.2
325.14340	4.2
327.12265	3.7
337.10596	7.0
338.11389	3.7
339.12268	41.4
341.13956	4.8
342.10800	3.3
343.15384	7.0
351.12402	10.2
353.13889	6.5
354.11014	5.6
357.13345	29.0
369.13339	100.0
370.13541	2.4
371.14908	29.7
372.12219	2.2
387.14386	15.8
417.15244	2.3
459.11594	1.9
513.13123	1.9
531.19165	2.7
549.19745	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	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01866	2.6
55.05260	1.6
55.05515	26.7
57.03442	10.6
57.07071	2.6
65.03947	2.3
65.43371	1.7
67.05506	75.9
69.03416	1.6
69.07071	23.7
70.30106	1.7
70.30451	5.9
71.04981	6.6
76.72172	1.4
79.05051	2.8
79.05494	44.2
81.03416	2.1
81.07059	100.0
83.04987	4.1
83.08620	14.6
85.06535	5.2
91.05475	33.9
93.07043	46.1
95.04955	4.5
95.08607	94.0
97.06531	16.5
97.10157	4.8
98.20743	1.7
99.08102	3.7
105.07035	31.1
107.07948	2.3
107.08607	29.0
109.06548	2.0
109.10166	27.5
111.08066	4.7
117.06998	6.2
119.08583	27.4
121.10138	20.6
123.08073	4.2
123.11681	12.4
125.09657	2.2
131.08572	10.5
133.10141	20.0
135.11710	22.3
137.09587	3.2
137.13228	6.3
143.08498	2.7
145.10112	10.3
147.11688	6.5
149.13242	9.9
151.14845	1.9
157.10196	1.5
159.11684	7.1
161.13264	26.9
163.14859	5.2
171.11707	1.8
173.13280	4.8
175.11247	1.5
175.14886	2.4
177.12706	1.7
177.16418	1.9
179.14320	20.3
187.14761	2.7
243.21092	4.5
253.17957	14.4
261.22122	23.6
265.22098	1.6
269.17474	3.4
271.19061	15.7
279.23148	4.6
305.82510	1.5
317.24777	5.4
335.25763	33.4
337.27274	3.8
353.27255	3.3
439.35754	5.1
457.36783	7.3
513.39191	4.1
531.40454	24.3
549.41632	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03939	5.8
55.01872	5.5
55.05519	31.9
55.60586	2.2
57.03448	11.6
57.07079	5.5
64.65065	2.2
65.03922	3.2
67.05508	84.8
69.03430	3.5
69.07070	32.2
69.08813	2.0
69.56547	11.4
71.04996	14.5
71.08626	4.5
79.05503	44.9
79.05950	3.6
81.03416	12.3
81.07064	100.0
83.04975	6.1
83.08630	20.9
85.06551	4.2
91.05490	34.4
93.07050	52.0
95.04971	9.4
95.08612	92.1
96.08965	4.2
96.28179	2.1
97.06547	18.8
97.10162	11.2
99.08102	5.6
105.07029	27.2
107.08611	30.3
108.08962	2.5
109.06538	3.3
109.10164	29.9
110.10510	2.1
111.08082	3.2
111.11643	2.0
113.09666	4.2
117.07039	8.4
118.08637	5.9
119.08582	30.0
119.18356	2.0
121.06474	2.7
121.10159	24.2
123.08080	5.4
123.11722	10.0
126.37462	2.2
129.07013	3.1
131.08557	11.4
133.10141	20.4
135.11708	22.0
135.78139	2.4
137.09630	2.7
137.13313	6.6
145.10178	11.8
147.11678	9.3
149.13278	7.2
151.11234	2.7
153.12721	2.3
157.10164	2.7
159.11732	10.2
161.13272	33.5
163.11214	2.8
163.14885	3.8
171.11653	2.3
173.13298	5.8
175.14876	3.2
179.14297	19.3
182.62617	2.3
183.10149	2.1
185.13292	2.7
187.14902	5.5
187.85384	2.2
193.12196	4.7
195.13896	3.2
201.07016	2.5
213.02054	2.4
220.09355	2.4
221.22868	2.3
243.21127	3.8
253.14297	3.1
253.17952	13.4
261.22150	23.6
261.94333	2.2
267.15906	4.0
268.16263	2.6
271.18918	10.7
279.23047	6.7
317.24841	5.5
335.25818	28.9
337.27441	5.4
339.28683	4.7
353.27048	4.3
362.56836	2.3
421.34207	2.8
439.35480	4.6
457.36951	12.6
475.37537	3.2
513.39655	5.4
531.40393	37.3
533.13477	2.4
549.41455	23.7
550.22369	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	550.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66842	1.0
53.03932	4.0
55.01867	3.3
55.05501	1.4
55.17406	1.1
57.03434	2.0
60.08164	2.3
61.02910	2.0
65.03924	2.4
65.69681	1.0
67.05498	1.7
68.99776	1.4
69.03437	10.5
69.07067	2.4
70.06591	1.2
70.99148	1.4
70.99491	1.8
71.04988	1.9
71.07364	1.4
73.02905	2.1
79.05484	5.0
80.05017	28.6
81.03432	11.0
81.07074	2.3
83.05026	1.0
85.02910	21.1
86.09707	13.5
87.00830	6.9
91.05481	6.2
93.03395	1.2
93.07030	3.5
95.04951	2.1
95.08606	1.8
97.02880	6.6
97.06458	1.4
98.97610	1.2
99.04434	3.5
103.05466	4.8
104.10754	8.6
105.01855	4.7
105.07030	16.9
106.06451	1.1
107.04951	3.4
108.04485	69.3
109.02881	11.5
109.06537	3.8
109.10110	1.5
110.06028	1.2
111.04379	1.8
115.05469	1.7
118.04150	2.6
119.04941	3.0
120.04430	3.5
120.08109	16.4
121.06513	1.3
122.06022	7.4
125.00021	8.4
125.05967	1.2
127.03922	19.1
129.01819	1.8
130.06561	1.9
131.04921	3.8
133.05365	1.8
133.06483	14.2
134.06026	70.4
135.07990	1.4
137.05981	9.9
144.08113	1.4
145.02805	2.7
145.04984	4.7
146.05984	2.3
147.02853	1.4
147.04393	4.5
147.06787	1.7
148.04967	1.6
148.07581	52.7
149.05959	1.6
150.05489	9.4
150.06764	3.8
151.07533	1.6
159.02908	6.5
160.07584	4.2
161.05884	1.5
163.07594	1.1
165.09125	12.5
167.07028	3.2
169.08612	7.7
172.07550	1.4
176.07034	2.1
177.05479	4.4
178.06241	1.7
179.07056	1.6
180.10210	1.4
181.08643	1.3
184.07356	35.0
188.07024	1.3
190.08618	1.9
193.08617	100.0
194.09380	14.8
206.08122	1.1
216.06670	1.6
231.04947	2.9
234.07690	1.5
241.19550	1.1
291.19601	2.2
302.13870	44.3
314.13998	1.4
320.07587	1.5
320.93802	0.9
326.14108	2.0
331.08182	1.2
335.79019	1.1
338.08789	2.9
344.14795	4.9
356.09665	4.1
356.14035	1.0
410.15842	1.3
444.48456	1.0
488.19180	1.1
518.17084	1.2
532.31958	2.1
550.20068	1.2
550.31836	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	550.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.05039	0.9
58.06623	0.6
60.08168	7.2
67.05492	0.6
69.03422	0.2
69.07066	0.4
70.06614	0.4
70.98703	0.4
71.07375	3.2
72.08148	0.5
75.36423	0.2
79.05499	0.7
81.03442	0.3
81.07047	1.2
85.02929	0.3
86.09709	32.0
91.05488	0.5
93.07047	0.4
95.08617	0.6
97.02879	0.2
98.98476	2.6
104.10750	11.9
105.07043	0.5
107.05000	0.3
107.08593	0.4
109.10178	0.3
115.20376	0.2
119.04967	0.4
119.08608	0.3
123.08126	0.3
125.00008	21.7
130.69067	0.2
131.04890	0.2
134.06042	0.4
136.07635	0.5
147.04379	0.4
148.04797	0.2
152.07019	0.2
165.09126	0.2
167.06973	0.2
180.10207	0.9
181.04868	0.2
184.07347	100.0
185.07655	0.3
206.08179	0.5
206.72870	0.2
207.06625	0.3
310.00192	0.2
386.57791	0.2
426.93707	0.2
434.23380	0.2
443.32959	0.2
452.24026	0.8
492.29651	1.3
506.43900	0.5
514.30133	0.2
525.82031	0.2
532.31134	2.2
550.31390	4.6
550.41376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	1.0
60.08163	7.4
61.72345	0.7
67.05499	2.4
69.03424	2.0
69.07051	1.4
70.06575	2.1
71.07359	3.5
71.60297	1.3
72.08153	0.8
75.62360	0.7
79.05482	3.6
80.01350	0.7
81.07066	4.6
83.04980	1.0
83.75236	0.7
85.02879	1.2
86.09711	30.4
91.05474	2.8
93.07043	2.9
95.04984	1.1
95.08610	2.2
97.02859	0.9
97.06577	1.0
98.98455	3.4
104.10763	9.1
105.07034	2.1
106.06546	2.0
107.04945	1.0
107.08606	1.8
108.08104	1.4
109.02851	0.9
109.06547	1.5
109.10147	1.1
116.16232	0.9
117.06901	0.8
118.27100	0.7
119.04926	0.8
119.08593	1.6
120.08100	1.1
121.10127	1.4
125.00007	21.7
125.05952	0.8
127.03976	1.0
129.06963	1.0
134.04979	1.0
134.06012	16.2
136.07571	5.9
137.06046	0.8
137.08374	4.5
138.09151	1.1
145.02773	1.0
147.04401	1.7
148.07584	0.9
150.09247	1.3
152.07043	8.2
159.11549	0.8
162.09100	1.0
166.08606	0.9
174.09015	0.9
176.10661	1.5
178.08623	4.7
179.09456	1.6
180.06642	1.8
180.10210	24.3
181.10974	1.6
184.07350	100.0
192.10220	1.4
194.11952	2.0
202.12175	1.6
204.10243	0.9
206.08122	12.6
220.13374	1.3
224.09187	3.0
226.12195	1.0
230.11736	1.4
278.06403	0.7
346.23727	0.8
374.23138	2.1
392.24307	1.6
430.25406	1.1
456.27292	1.7
470.33066	1.3
474.28687	4.5
488.33597	1.5
492.29581	52.9
493.29376	1.6
514.31201	2.4
532.32733	43.8
533.32776	1.1
544.05957	0.8
550.33667	26.0
551.34003	1.1
574.31506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1399
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
55.01872	11.0
61.02935	2.1
66.03452	2.7
71.20358	4.8
72.87392	2.1
87.53157	2.0
91.05479	6.8
93.04534	5.7
97.02941	2.4
107.04938	4.4
109.02862	2.4
119.04953	7.6
121.02942	4.9
121.03981	37.1
129.94270	2.1
135.04396	10.0
137.02351	31.1
147.04396	8.2
159.04420	2.3
161.02338	6.0
161.06021	2.7
162.05510	3.0
165.08783	2.1
171.04321	2.6
173.07117	3.0
175.03897	13.1
177.01865	4.5
187.03896	3.3
189.01772	9.6
191.03418	5.6
192.11917	1.9
195.02995	3.3
199.03926	4.1
201.01691	1.9
203.03397	21.0
205.04958	4.1
207.02901	6.4
207.06538	35.2
208.06754	3.0
215.03416	11.1
217.04979	5.0
221.04431	4.7
227.03459	2.5
231.03070	2.5
233.04358	3.1
241.04823	3.6
243.03023	3.2
255.02808	3.2
261.03812	2.8
281.04706	2.2
295.06055	5.4
297.07672	3.8
299.05453	4.4
307.06061	2.1
309.07568	4.0
310.04907	11.1
310.07996	3.5
311.05527	56.8
312.06296	5.0
313.07138	5.2
321.07565	4.5
323.05533	40.4
323.09045	4.2
324.06323	16.5
325.07132	16.4
329.06784	3.8
333.07520	6.3
335.05634	5.8
336.06372	11.2
337.07059	55.1
338.07840	7.7
339.04846	3.1
339.08643	7.4
340.25995	2.5
341.06543	40.2
345.07556	5.0
349.07065	28.4
350.07809	8.5
351.08557	16.8
352.05750	3.7
353.06589	34.8
355.08102	2.7
359.08920	2.8
361.07104	19.2
362.08063	3.7
363.08511	6.0
365.06577	44.2
365.10785	4.2
367.08102	15.2
371.07654	2.9
374.07443	3.0
375.08612	5.3
377.06488	23.6
379.08130	27.0
383.07608	8.9
389.06549	16.9
391.08084	17.6
395.07639	59.8
403.08347	12.9
405.09683	3.0
407.07657	47.7
409.08936	5.2
413.08618	40.8
415.08032	6.6
419.07571	12.6
421.09067	12.4
425.08688	56.1
431.08038	11.6
433.09216	9.3
437.08798	5.4
443.09781	32.1
449.08679	27.0
461.08875	18.2
467.09775	34.4
479.09863	24.3
485.10815	58.4
497.03513	4.8
497.10812	100.0
515.11890	74.8
533.12927	28.7
551.14307	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	551.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01872	0.9
55.05497	1.0
57.03427	1.0
61.02927	1.0
67.01872	6.2
67.05498	0.8
68.99796	2.8
69.03107	0.7
69.03435	6.9
70.06583	0.8
71.04988	1.1
71.61160	0.7
72.00169	0.6
72.08144	0.6
73.02908	1.0
77.02814	0.6
77.90717	0.6
78.12485	0.5
79.05485	1.1
81.03416	5.5
81.07043	2.1
83.04951	0.6
84.08094	0.6
85.02905	8.7
87.00811	2.4
89.03915	1.8
91.03970	0.7
91.05461	1.8
93.07037	0.9
95.04950	1.2
95.08578	1.6
97.02903	5.6
99.04469	1.8
105.01839	1.5
105.07024	1.4
107.04899	0.7
107.08578	0.9
109.02889	3.6
109.06493	1.2
109.10142	0.9
111.04465	1.0
115.05498	0.7
117.00764	0.6
117.03370	4.6
119.04947	1.5
119.08605	1.0
121.04017	0.7
121.10128	0.8
121.59352	0.6
123.04426	1.2
125.02325	1.1
127.03933	7.3
129.01820	1.4
129.07031	0.8
130.06534	13.0
131.04903	1.4
131.08562	0.8
137.05984	4.5
142.06517	0.6
144.04483	3.3
145.02853	13.8
145.04945	1.8
145.10126	1.1
147.04390	1.7
149.05969	2.1
151.03902	1.2
151.07578	4.5
153.01833	100.0
158.06018	4.3
159.02831	2.0
160.07574	1.0
161.05957	0.8
163.03922	1.5
167.07048	1.8
170.06000	2.6
171.02904	28.9
175.03851	0.7
175.07446	0.7
177.05486	20.3
179.03406	8.3
181.04941	1.3
188.07156	0.8
195.02911	3.0
207.06554	1.5
219.03072	0.6
245.10742	2.1
258.05322	1.2
259.05780	0.7
259.12289	1.2
261.07626	0.7
285.07623	1.4
286.04678	2.2
287.05219	1.9
288.05429	2.0
295.43704	0.6
301.06946	3.0
302.07339	3.3
303.08630	89.5
304.08948	0.8
362.20032	0.7
390.11609	0.6
434.10785	0.7
448.92621	0.6
551.16461	3.9
551.30615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01875	0.7
55.05499	3.3
55.29643	0.7
57.03422	1.1
67.05488	0.9
69.03428	2.5
69.27881	1.4
69.28274	7.1
70.06578	2.9
71.04988	3.5
72.08186	1.1
74.06116	0.8
79.05481	1.4
81.03407	2.1
81.07071	1.1
83.04974	7.2
84.08099	1.0
85.02902	4.4
91.05477	7.5
93.07047	2.9
95.08586	1.0
97.02892	1.5
98.20703	1.4
98.97651	0.8
101.06026	7.0
103.05466	2.0
105.07026	2.3
107.08595	1.8
109.02885	1.5
109.06513	0.8
109.10149	1.0
111.65059	0.9
119.04945	8.3
119.08561	1.0
121.02801	0.7
121.10112	4.1
127.03973	1.1
131.04926	4.3
133.10182	1.6
135.07976	0.9
136.07550	1.7
137.05994	1.6
137.09602	1.8
145.04958	0.8
147.04419	8.4
149.09621	100.0
151.11159	1.1
157.03960	1.0
162.05510	2.0
163.07544	1.2
164.07072	1.2
165.05815	4.6
165.07010	0.8
167.07062	2.1
173.13268	1.0
175.03909	13.6
177.05515	0.8
181.04956	1.6
183.06873	16.8
191.14323	7.6
207.06532	25.9
208.06860	1.6
209.15353	18.8
227.16396	3.5
235.25842	0.9
311.05557	1.0
312.99701	0.7
323.05344	1.5
324.06140	0.9
333.07297	0.9
337.07150	2.1
353.06509	1.3
369.11551	1.8
371.11682	1.5
377.06348	1.0
395.07544	1.5
407.07086	0.9
413.08902	0.9
425.08917	1.9
443.09546	1.4
449.08926	1.3
485.11023	1.2
497.10715	1.6
515.11523	0.9
533.96521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33571	1.2
56.96560	1.2
67.05494	2.5
69.07040	1.3
71.61065	2.1
77.63464	1.1
79.05510	2.2
81.03463	1.3
86.09731	2.2
91.05492	2.6
95.04951	1.6
95.08598	1.9
105.07045	2.7
107.08592	1.5
119.04954	1.6
119.08625	1.3
125.00034	1.7
130.53467	1.1
133.10190	1.4
147.04437	3.5
184.07335	7.1
185.07819	1.6
203.05244	1.1
256.51770	1.2
333.19272	1.4
389.23007	2.5
418.99390	1.2
551.28302	100.0
552.28717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2833
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
56.46589	0.3
57.57222	0.3
65.03936	0.4
67.05513	0.8
79.05489	0.7
81.07056	0.8
91.05484	0.5
93.07043	0.5
95.08607	0.4
98.20781	0.8
105.07016	0.6
107.08553	0.6
121.10114	0.4
124.79326	0.3
133.10162	0.5
149.02356	1.4
167.60849	0.4
193.04977	1.3
203.05342	0.6
216.09673	0.3
259.07956	1.3
315.18854	0.3
331.10303	0.6
333.19159	0.9
354.73199	0.4
389.22903	1.9
551.28302	100.0
552.28540	1.7
579.65179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.96553	0.8
57.73431	0.5
60.08164	0.5
63.78358	0.5
67.05495	1.2
70.45267	1.4
72.15576	0.6
81.07056	1.1
89.27976	0.5
91.05508	1.4
92.07547	0.5
93.07050	1.1
95.08620	1.0
105.07031	0.8
107.08565	0.9
107.20582	0.6
107.97301	0.6
112.56217	0.6
147.04454	0.8
149.02342	0.9
173.79660	0.6
203.05365	0.8
240.63985	0.6
259.07904	1.5
333.19034	1.6
389.22821	2.6
551.28302	100.0
552.28455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.05508	16.2
57.07068	8.0
65.03928	5.4
67.05508	31.8
69.07082	20.8
69.33855	20.1
79.05498	25.0
81.07061	48.5
82.73748	2.0
83.08634	10.6
85.06545	3.8
91.05483	43.3
93.07053	61.5
95.04977	6.0
95.08615	48.2
98.21442	3.8
103.05453	4.0
105.07037	69.1
105.53662	2.2
107.08595	56.0
109.06548	3.1
109.10164	42.9
115.05430	3.3
117.07012	12.7
119.08587	100.0
121.05605	2.1
121.10156	51.8
123.08011	2.6
123.11736	12.8
128.06226	8.2
129.07016	8.2
130.07782	7.5
131.08572	24.5
133.10139	51.8
135.08073	2.1
135.11707	36.8
137.09641	3.4
141.06964	6.1
142.07817	13.7
143.08586	26.0
144.09308	4.4
145.10136	74.8
147.11703	21.9
149.13245	6.3
155.08571	8.8
156.09332	9.8
157.10132	42.2
157.11412	2.5
158.10873	7.1
159.11700	38.4
161.13240	13.6
163.11169	2.6
165.07033	2.3
167.08592	6.4
168.09302	5.1
169.10123	19.2
170.10870	4.3
171.11697	21.9
172.12440	3.5
173.13257	25.7
175.14836	34.4
176.21391	2.1
179.08603	7.2
180.09444	2.8
181.10150	7.7
182.10931	6.8
183.11627	13.0
185.13278	16.1
187.14838	15.9
189.16377	6.1
193.10135	6.0
194.10912	5.2
195.11746	14.8
195.85783	2.3
196.12462	5.6
197.13278	20.7
198.13940	2.8
199.14824	11.0
201.16383	9.9
206.10895	2.8
207.11693	9.0
208.12425	5.6
209.13242	16.8
211.14838	14.3
213.16364	5.8
215.18016	3.5
219.17447	5.0
221.13284	7.0
223.14787	8.8
225.16335	5.2
227.17810	3.6
235.14825	3.7
237.16469	3.6
239.18004	5.0
241.19572	3.3
243.17567	2.8
246.13977	2.2
249.16284	2.8
249.41347	2.2
251.18004	4.1
253.19447	3.4
255.21454	2.7
261.16403	3.1
263.17908	3.4
265.19537	6.4
267.20932	3.8
277.19519	3.8
283.20718	2.6
285.21851	4.7
293.22672	2.8
301.19510	2.7
335.24155	2.2
345.25723	4.3
357.26028	2.2
429.31540	4.3
451.26797	2.2
459.36017	3.0
533.41565	4.6
551.42542	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	552.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29961	1.3
53.03938	1.4
54.72353	1.1
55.01857	4.6
55.05513	10.5
56.05043	10.5
58.06585	1.3
58.99592	13.7
61.01130	1.6
61.02927	1.4
67.05497	5.1
68.05014	5.2
69.03419	4.7
69.07063	3.8
70.02959	7.3
70.06235	1.8
70.06596	23.1
70.92420	3.7
71.05009	1.5
72.04506	4.5
73.01131	2.5
74.00670	9.1
74.02408	1.5
76.02228	16.6
76.03991	5.3
79.05486	4.9
80.05009	10.0
81.03402	4.3
81.05793	2.8
81.07049	6.1
82.06565	3.9
83.04982	2.8
83.06127	6.3
83.08622	3.7
84.04506	52.5
84.05019	2.6
85.01126	36.0
85.02898	4.6
85.04016	4.1
86.00651	32.2
86.99058	54.5
87.02679	1.6
88.02212	4.9
91.05491	3.9
93.07036	5.1
95.04959	1.7
95.08607	4.9
96.04494	5.5
96.05119	1.2
97.01128	8.4
97.02866	1.4
97.10159	6.1
98.00616	5.9
98.06055	1.7
99.01421	2.4
99.05565	3.7
99.08099	1.8
100.02206	7.5
102.03767	22.9
102.05542	13.4
105.07054	3.3
107.04948	2.5
107.06088	2.1
107.08592	5.9
109.02900	2.3
109.05251	1.4
109.07652	3.7
110.05997	1.7
112.02192	31.9
112.03914	3.6
113.00638	6.6
114.00109	2.0
114.03764	16.2
114.05531	3.1
116.00890	1.9
116.01682	20.2
119.04940	1.5
119.08578	4.3
121.10127	3.7
124.02186	5.8
124.07594	1.3
125.00557	1.6
125.09650	5.8
126.03731	3.9
127.03907	2.1
129.06607	5.8
130.03242	11.2
130.04991	21.8
131.04578	1.6
132.01181	4.4
133.10114	4.7
135.11696	5.2
138.05446	1.5
140.01642	4.9
142.03227	42.6
143.01643	1.8
143.02753	36.3
143.04454	2.4
144.01114	5.6
145.05051	1.9
145.06100	4.6
147.04396	2.0
149.09610	2.2
149.13252	2.3
152.01701	1.8
153.06596	3.2
155.08138	5.2
156.06558	4.5
158.02734	6.6
162.02232	6.8
164.01366	1.4
168.04828	3.5
168.06485	1.3
169.04321	9.2
170.02724	5.2
171.02252	4.7
175.03877	1.9
175.14795	2.0
177.03305	8.4
177.04756	1.4
177.05463	1.5
179.04823	12.0
181.06140	3.3
185.03802	2.4
187.05418	1.7
188.03746	4.9
189.03300	100.0
191.10770	1.5
193.12285	3.7
196.04338	11.6
199.05356	4.1
199.07060	2.7
205.06473	14.1
207.06438	2.6
211.13315	4.0
211.16888	2.2
215.04858	45.0
217.06415	5.2
224.03743	4.2
227.04788	2.6
231.04385	3.9
233.05907	18.3
241.06500	3.3
245.05899	7.6
259.07455	2.1
266.12057	5.8
269.05948	3.7
279.08627	1.6
284.13138	4.5
287.06970	19.3
288.06555	1.6
299.06851	2.2
302.14249	2.2
307.08411	2.5
320.15198	6.4
334.10721	3.1
341.15323	1.8
345.07587	3.5
362.10156	7.5
371.16428	2.0
387.15674	3.2
405.16876	15.0
423.17905	2.9
526.08221	1.5
534.20959	3.9
552.22327	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	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
58.06589	1.1
58.93991	0.6
61.02918	1.1
66.98019	0.6
67.05499	1.3
69.03422	1.9
69.06715	0.7
69.07070	7.5
69.22920	6.3
70.06597	8.4
71.05013	0.6
72.08138	0.7
73.02926	1.3
78.63203	0.7
79.05488	0.9
81.03404	1.4
81.07047	2.6
83.04974	0.8
83.08620	2.3
84.08128	1.5
85.02914	4.0
86.06079	2.3
86.09705	0.8
88.07613	1.5
91.05489	6.5
93.07044	1.8
95.04940	0.9
95.08619	4.3
97.02892	1.9
101.06008	0.7
103.05442	0.9
105.07034	7.9
107.08585	2.8
109.02929	0.7
109.10155	3.2
111.14653	0.6
117.07024	1.2
119.04966	3.2
119.08586	32.2
120.08113	0.8
121.10168	1.5
123.17374	0.6
127.05064	0.6
131.08569	1.8
133.04953	0.6
133.10138	22.3
134.10658	0.6
135.11702	1.6
137.02377	0.8
137.09604	1.5
145.10126	1.9
147.04446	3.0
147.11703	3.9
149.08429	0.7
149.09605	4.9
150.09962	2.9
158.10916	0.7
160.12486	1.2
162.05385	0.6
163.03889	0.8
167.07028	1.0
173.13272	2.1
174.13658	1.1
175.03914	5.5
175.14839	100.0
176.04260	1.1
176.15257	1.2
183.06927	1.8
184.07431	0.8
184.09659	3.0
186.67015	0.7
193.15894	6.6
198.25749	0.7
207.06529	12.2
208.06911	2.5
254.17639	1.2
312.05591	1.1
324.06250	0.7
328.21228	2.0
338.07507	1.5
342.06799	0.8
347.40344	0.7
350.07385	0.8
354.26523	1.3
366.07144	1.1
372.23773	1.7
378.07101	0.8
390.06793	1.1
396.07791	1.6
406.79395	0.7
408.08124	1.7
414.08957	1.0
426.08969	1.1
450.09134	0.9
468.10294	1.0
480.09497	0.8
486.11002	1.2
498.11099	2.6
516.12384	1.9
516.31097	0.6
534.28430	4.9
561.73865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11137	0.2
55.05503	0.4
56.05013	0.8
57.03431	0.4
58.06603	0.4
60.07869	0.5
60.08164	8.3
67.05500	0.9
69.03448	0.3
70.01834	0.7
70.02247	0.9
71.07374	3.5
79.05484	0.4
81.03416	0.3
81.07041	0.6
85.02895	0.5
86.09706	36.7
91.05487	0.9
93.07031	0.8
95.04968	0.3
95.08601	0.6
98.20782	0.4
98.98460	3.7
101.17773	0.2
104.10744	21.6
105.07037	0.6
107.04992	0.3
107.08610	0.5
109.10186	0.4
119.08608	0.3
121.10178	0.4
123.11704	0.3
125.00005	21.7
137.05997	0.9
177.05586	0.3
184.07338	100.0
185.07787	0.4
194.93306	0.3
452.24500	0.7
492.13922	0.4
534.31964	2.8
552.33191	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	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.87447	0.2
51.53316	0.2
53.35247	0.2
55.05519	0.4
67.05515	0.7
71.59606	0.4
72.31987	0.3
79.05484	0.6
80.93685	0.3
81.03420	0.5
81.07074	0.4
83.01102	1.0
83.15527	0.3
84.01908	0.3
87.09450	0.3
89.66035	0.3
91.05488	0.7
91.82134	0.3
93.07062	0.8
95.01089	0.7
95.08592	0.4
96.01859	0.4
105.07044	0.3
133.03436	0.5
133.10223	0.3
139.03685	0.3
146.23141	0.3
147.04442	0.6
156.03885	0.4
157.04771	0.6
161.03027	0.4
184.03493	0.6
185.04245	1.7
201.03725	1.3
203.05295	2.1
259.07901	1.8
299.18747	0.4
317.19733	1.1
331.10004	2.1
335.20654	0.6
345.11725	0.5
359.13242	0.6
359.20804	0.3
373.14645	0.6
387.16400	0.4
391.24478	0.5
401.17892	0.4
415.19434	0.9
455.22552	0.4
479.24985	0.3
483.21982	2.0
535.28442	0.6
553.29871	100.0
554.30121	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	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08511	0.3
56.96567	0.4
57.61536	0.3
67.05518	0.8
79.05490	0.6
81.07066	0.8
91.05447	0.7
93.07053	0.6
107.08604	0.5
109.10159	0.6
131.08723	0.4
157.04736	0.7
185.04251	2.7
201.03725	1.2
205.03391	0.4
257.14218	0.4
259.07852	0.7
275.07465	0.8
317.19785	1.0
331.09961	4.4
335.20938	0.5
345.11481	0.7
373.14758	0.9
391.24002	0.7
401.17896	0.4
415.19379	1.3
483.22098	1.9
535.28534	0.5
553.29852	100.0
554.30127	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	553.299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80735	0.4
55.05501	0.5
56.35492	0.4
56.96561	0.9
60.84599	0.5
67.05499	1.4
69.03439	0.5
69.07070	0.4
69.46728	0.4
70.72508	0.8
76.01296	0.4
79.05486	0.7
80.19891	0.4
81.03452	0.6
81.07061	0.6
85.02917	0.5
91.05490	0.8
93.07028	0.6
95.04992	0.5
105.07040	0.5
107.08605	0.7
109.10131	0.9
119.08600	0.5
119.48774	0.4
131.08568	0.6
133.10223	0.4
147.04477	0.8
190.92647	0.5
203.05299	0.9
259.08115	0.7
317.19705	1.5
320.71402	0.6
335.20676	0.5
391.24484	0.7
438.65247	0.4
513.37567	0.5
537.59558	0.4
553.29889	100.0
554.30121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05500	0.9
56.96545	0.6
67.05500	1.0
67.70894	0.4
69.95820	2.5
79.05485	0.8
81.03408	0.5
81.07063	0.8
81.95869	0.4
91.05525	0.6
93.07052	1.2
95.08601	0.6
96.65160	0.5
105.07078	0.9
107.08618	0.6
109.10136	0.6
119.08624	0.8
173.13295	0.5
203.05299	0.5
259.07919	0.7
317.19794	1.3
335.20676	0.7
391.24402	1.5
412.52393	0.5
553.29852	100.0
554.30121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80627	4.8
53.03939	5.0
55.01877	7.2
55.05504	18.0
57.03431	8.9
57.07059	9.2
65.03941	5.2
67.05505	28.2
67.67429	4.6
69.03411	18.7
69.07073	50.1
70.06572	20.8
70.30422	10.8
70.30826	10.4
71.04978	22.8
72.08146	10.3
74.06066	15.0
77.51616	5.0
79.05506	27.4
81.03406	15.7
81.07065	95.7
83.04946	8.2
83.08617	14.6
84.08140	9.6
85.02910	25.1
85.06537	19.1
86.06071	6.4
86.09701	11.1
88.03970	9.7
91.05474	35.8
92.83318	5.6
93.07047	73.6
95.04965	18.1
95.08611	100.0
96.08156	5.3
97.02911	10.1
97.06551	10.4
97.10169	12.1
98.97530	7.3
99.04461	5.7
99.08084	8.4
101.40818	5.4
103.05461	6.7
105.07026	29.7
107.04948	6.2
107.08601	61.0
109.02868	9.6
109.06503	22.2
109.10165	44.4
111.08064	21.7
117.06991	5.8
119.04971	7.5
119.08564	20.8
121.06488	7.8
121.10149	79.2
123.08074	12.3
123.11722	48.3
124.07623	6.3
125.06033	5.0
125.09632	11.1
127.03925	11.9
130.07776	5.0
131.08578	9.0
133.06487	5.5
133.10115	17.9
133.24602	5.3
135.11697	22.5
137.05997	7.8
137.09598	27.0
137.13278	9.1
138.05431	5.0
139.07542	5.9
139.11177	12.7
141.12741	7.6
145.10146	11.6
147.04431	8.2
147.11641	12.1
149.09605	17.6
149.13229	14.2
151.11180	10.5
153.12675	16.2
155.10689	12.3
159.11749	8.3
161.05946	5.2
163.11198	11.2
166.08672	10.8
167.10674	22.4
173.11841	5.6
175.03925	9.8
177.05469	7.2
177.16386	91.9
181.04893	6.2
181.12193	13.4
185.11662	13.1
185.13229	5.7
195.17410	14.4
198.10884	7.5
207.06441	12.7
285.22064	10.0
288.14133	26.3
303.23224	19.5
321.24216	62.4
329.63937	5.4
334.76855	5.8
339.25262	17.6
356.28131	12.3
374.29034	12.9
392.29916	22.6
554.18860	6.4
554.26477	10.4
555.23926	52.1
571.79004	5.0
581.01715	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	554.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20292	0.5
53.03945	1.1
55.01867	0.7
55.05517	2.8
56.05046	0.6
56.96569	0.6
58.06538	0.6
59.04976	0.6
60.04529	7.2
61.02934	0.6
62.52237	0.5
65.03963	0.7
65.21395	0.6
67.05509	6.0
69.03432	1.9
69.07063	3.7
70.06584	2.2
70.12716	1.2
70.13093	2.1
72.04503	1.1
74.02445	9.0
79.05495	5.9
80.01382	2.3
80.05048	0.9
81.03417	1.5
81.07060	9.4
81.07506	0.8
82.06590	0.8
83.08635	1.9
85.02897	2.6
85.06537	0.9
91.05487	3.3
93.07060	4.3
95.04974	1.1
95.08616	8.1
97.02870	1.1
97.06573	0.6
97.10166	1.5
98.70748	0.6
98.97607	0.6
102.55834	0.5
103.05466	0.7
105.07053	1.8
106.06563	3.6
107.04961	1.6
107.08590	3.2
108.08163	1.5
108.91275	0.6
109.02911	1.3
109.08950	0.7
109.10177	6.1
116.04989	1.7
119.08604	2.0
120.08111	0.6
121.06519	0.7
121.10158	1.8
123.11748	2.0
124.07623	1.7
127.03931	1.3
132.08104	1.5
133.10164	1.0
134.06023	31.9
135.11705	1.7
136.07581	7.5
137.05998	1.3
137.08366	5.1
138.09140	1.4
140.07092	1.2
143.08560	0.6
146.09616	0.6
147.04478	1.0
147.11691	0.8
148.07600	1.6
149.13210	0.6
150.09163	2.4
152.07071	15.9
154.08635	0.7
160.07629	1.3
161.08398	1.0
161.13322	0.7
162.09184	1.6
164.07111	0.7
166.08688	2.3
172.48109	0.6
174.09251	1.9
176.07156	0.9
176.10747	2.5
177.05476	1.0
178.08640	9.8
179.09409	4.8
180.06613	4.3
180.10199	20.5
181.10944	1.8
187.09929	0.6
188.10741	2.3
189.11494	0.6
190.08643	1.1
190.12334	1.2
192.10254	1.5
194.08215	1.0
194.11708	2.6
200.10739	0.6
202.12219	3.1
204.10210	2.1
205.10942	0.8
206.08127	26.0
206.11841	1.5
207.06554	0.9
208.13304	0.7
214.12337	0.7
216.13872	0.6
218.11809	1.2
219.01788	0.5
219.12639	0.6
220.13371	2.5
222.14993	1.7
224.09203	4.3
226.12361	0.8
228.14027	0.7
230.11804	1.7
234.14957	1.3
236.09210	1.5
238.10677	1.1
246.14915	0.8
248.12958	0.6
250.10696	1.0
256.17084	0.6
267.69327	0.6
274.17944	0.7
274.25449	1.0
276.27017	0.6
280.15552	2.2
281.90500	0.7
286.17892	0.8
292.15549	2.6
292.26404	1.2
310.27478	0.7
320.25845	1.1
334.20007	0.8
338.26917	7.9
346.20102	0.7
348.21707	4.7
356.28027	8.1
364.21234	1.0
374.24417	0.7
374.29044	4.9
389.74945	0.5
392.24750	0.7
392.30035	11.5
412.32184	0.7
428.31677	1.0
432.27307	0.7
438.29187	0.8
438.34067	1.7
456.34717	4.4
474.36606	1.3
482.32663	3.1
500.33701	19.1
518.34808	33.2
519.35706	0.9
536.35864	54.1
537.36243	1.1
554.36908	100.0
555.28357	1.0
555.36560	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	554.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74731	3.6
52.81414	3.0
53.03945	4.3
55.05508	12.6
57.07064	6.7
59.04982	3.7
64.28995	3.6
65.03930	4.0
67.05505	22.5
69.03430	5.8
69.07063	22.4
71.19590	2.9
79.05482	27.8
79.90312	3.4
81.07059	35.4
83.04996	6.1
83.08618	11.1
85.06543	4.8
91.05489	48.0
93.07053	49.1
95.04974	11.2
95.08620	36.3
97.06532	6.3
103.05444	6.4
105.07032	73.2
107.08601	53.0
109.06499	5.6
109.10175	21.6
111.08064	6.8
115.05443	8.1
117.07025	21.2
119.08587	100.0
121.10147	41.5
122.07301	4.7
123.08072	12.3
123.11713	7.7
128.06201	9.3
129.07031	17.1
130.07768	10.7
131.08585	46.1
132.09329	5.7
133.10135	51.1
134.10925	3.9
135.08058	10.7
135.11710	23.0
137.09610	19.3
138.10405	3.8
139.11180	3.8
141.06964	10.0
142.07779	14.0
143.08566	32.2
144.09361	13.7
145.10141	54.8
146.10931	5.6
147.08023	7.3
147.11722	30.1
149.09622	9.5
151.11194	7.2
155.08546	16.6
156.09401	17.2
157.10147	60.6
158.10928	10.7
159.11690	35.4
161.09569	8.0
161.13202	8.5
167.08566	7.1
168.09314	7.1
169.10129	21.9
170.10921	12.1
171.11714	39.9
172.12488	7.3
173.13307	23.1
175.11151	6.7
175.14833	20.1
179.08577	10.0
180.09308	7.2
181.10094	18.1
182.10947	9.6
183.11725	30.2
183.90868	3.7
184.12451	7.5
185.13293	24.8
187.14798	10.9
191.14426	4.2
192.09319	5.0
193.10211	16.3
194.10841	7.6
195.11691	32.4
196.12527	11.6
197.13246	33.4
199.14796	9.7
201.12715	4.4
201.16307	4.6
201.32036	3.5
203.14325	4.3
206.10890	7.4
207.11728	16.2
208.12523	12.8
209.13261	36.6
210.14024	5.9
211.14842	13.8
213.12860	4.6
213.16429	5.6
219.11757	4.8
221.13332	16.0
223.14821	15.9
224.15511	4.4
225.16371	6.4
227.17844	4.2
233.13254	7.5
235.14825	7.7
237.16446	11.9
239.17995	6.2
247.14661	8.1
249.16321	4.8
251.17911	4.8
253.19479	3.6
259.14844	4.8
259.20517	5.7
261.16443	10.7
263.17911	7.1
273.16510	3.7
275.17911	3.9
277.19632	3.8
291.21216	3.8
448.33258	9.5
462.34961	12.5
509.50339	4.0
543.87994	3.5
554.41235	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19262	1.1
55.05506	4.4
57.07077	32.0
58.15063	1.1
64.62654	1.1
67.05499	2.2
69.07061	6.6
69.30578	5.7
69.31007	3.5
71.08631	30.0
73.06554	5.6
79.05521	1.3
81.07054	4.0
83.08600	5.0
85.05180	1.0
85.10183	19.8
87.04460	3.7
89.06032	100.0
91.07571	1.6
93.07028	2.2
95.08598	2.9
97.10165	6.3
99.11712	2.1
105.07014	2.4
107.07079	1.6
109.10202	1.3
111.11723	5.4
113.13265	1.8
117.09146	3.8
119.08616	1.4
123.07961	1.2
125.13219	1.9
130.08656	2.8
131.07092	1.5
133.08606	51.7
135.11667	1.2
141.16434	1.1
145.10100	1.4
177.11221	19.1
211.24246	1.6
221.13757	2.3
227.12750	1.2
239.14838	2.2
255.26894	1.5
257.40036	1.1
268.24896	1.0
290.20511	1.1
299.29434	4.7
327.20108	7.0
343.31989	1.8
348.18280	1.1
537.43451	7.3
554.42145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2049
Annotation	(-)-Massoniresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.25666	0.4
55.01867	0.6
56.96561	0.4
57.03421	0.8
58.06598	0.7
59.56211	0.4
61.02914	0.9
62.88208	0.4
65.03925	0.4
67.05495	0.9
68.05017	1.6
69.03440	4.7
70.06580	1.8
70.87098	1.0
70.87441	0.4
72.08141	0.8
74.06071	1.1
81.03403	1.7
81.97975	0.4
84.08129	0.6
85.02914	6.0
85.06528	0.6
86.06074	2.2
87.04485	0.4
88.07611	1.3
91.05456	1.3
93.07018	0.6
95.04917	0.6
97.02900	2.4
98.97569	1.7
100.07590	0.4
107.08556	0.5
109.02874	0.5
119.04948	1.5
124.05097	0.8
127.03909	1.0
130.05025	0.6
137.05936	0.8
140.03401	0.9
147.04407	1.2
148.04871	0.5
149.04579	1.1
150.05830	0.5
158.99648	0.7
166.07220	0.6
167.07057	0.4
172.06133	0.9
175.03952	1.5
177.05527	0.6
189.06480	0.6
201.06416	0.6
202.07181	0.9
203.08028	1.1
204.08832	7.8
207.06551	3.0
215.08009	1.4
216.08827	100.0
217.09457	1.0
218.10304	3.4
225.06488	8.7
226.07245	2.9
227.07956	1.2
228.08582	0.6
229.09581	0.6
230.10403	9.8
237.02837	0.5
240.08824	66.3
241.09552	2.7
242.10321	0.7
246.09909	4.8
258.09781	2.7
268.08347	7.7
272.11475	4.9
280.07050	0.7
283.09375	1.3
300.10938	55.0
301.11227	0.5
311.08972	0.9
315.12106	1.3
333.13147	1.7
343.11530	2.1
361.12643	5.3
361.19888	0.5
375.14136	8.7
393.15207	95.9
394.15469	1.5
519.33984	0.6
537.34570	1.3
555.21045	3.9
555.34717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08361	0.4
53.03939	1.8
55.71056	0.4
60.13341	0.3
60.91782	0.4
65.44685	0.4
66.17160	0.3
67.27638	0.4
67.40491	0.3
69.03432	2.2
69.49168	1.0
69.49586	1.9
81.03419	44.2
85.02902	0.6
88.22644	0.5
88.37982	0.4
89.71397	0.4
90.19543	0.4
97.02913	0.6
98.21075	1.6
98.97590	0.8
110.97549	0.4
119.03530	0.9
127.05047	1.4
136.06189	100.0
137.04578	1.4
144.99271	0.4
163.03906	1.0
177.05428	0.6
202.14162	0.4
207.07645	3.6
213.81508	0.4
216.08755	0.5
237.00749	0.6
238.01234	0.5
261.86356	0.4
291.19269	0.4
312.70920	0.4
323.06512	0.8
335.09586	0.4
496.90439	0.4
556.16803	0.8
556.46533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
53.19202	0.2
55.01862	0.4
55.05503	0.2
57.03424	0.6
61.02905	0.3
66.37107	0.3
67.05508	0.4
68.99762	0.3
69.03432	2.2
69.07069	0.3
69.56261	0.9
69.56684	0.8
70.06577	0.9
70.32600	0.3
71.04974	0.3
73.02909	0.7
74.06100	0.3
81.03430	2.5
85.02906	2.9
86.09703	0.4
87.00835	1.4
91.05464	0.8
93.07085	0.3
95.04968	0.4
95.08620	0.4
97.02882	1.1
97.06506	0.2
99.04458	0.5
101.55100	0.3
105.01865	0.3
107.08569	0.3
109.02887	1.6
117.05707	0.2
119.04996	0.3
121.02850	0.3
121.10210	0.4
122.06003	1.1
127.03945	1.8
129.01877	0.4
130.06520	0.9
132.04454	0.3
137.05991	0.3
144.04430	0.8
144.08078	0.6
145.05002	0.5
146.06013	1.1
158.06015	0.3
159.02899	0.8
162.05544	0.5
167.07062	0.4
170.06024	0.2
172.07549	0.5
174.05531	2.3
175.03877	0.5
177.05426	0.4
190.08611	0.4
206.08325	0.3
207.06657	0.6
217.08798	0.4
218.09843	0.6
219.09125	0.4
220.09822	0.6
228.08125	0.3
230.08360	0.5
232.09973	0.4
233.10698	0.7
234.08002	0.6
235.08704	0.5
235.12257	0.5
243.09204	0.7
244.09972	0.6
245.10762	11.8
246.09309	0.7
247.08691	0.4
247.12387	1.3
248.09439	2.0
255.09242	0.3
256.09961	0.8
258.07874	0.4
261.10196	1.1
262.07465	0.3
263.11819	8.4
265.09818	0.3
272.09326	1.3
273.10226	6.7
274.10934	0.5
275.08246	0.3
275.11783	1.7
276.08905	1.4
277.09702	1.7
278.10440	1.1
279.11285	1.6
285.10153	0.4
287.11871	0.5
288.14374	0.3
289.09698	0.7
289.12482	0.4
290.10257	2.5
290.13437	1.5
291.11295	100.0
292.11517	1.1
297.10300	0.4
303.11307	2.4
307.13196	1.6
308.13953	13.2
315.11407	1.3
317.71381	0.3
320.13721	0.3
333.12302	2.7
358.15604	0.3
491.14807	0.3
495.17560	1.3
503.14447	0.6
509.15561	1.0
521.15558	1.0
527.16565	0.6
538.17969	0.4
539.16675	8.2
556.19189	6.0
556.26880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48931	0.3
56.96564	0.7
58.69140	0.3
69.03421	0.4
69.55619	0.6
69.56013	2.2
70.40997	0.3
75.80232	0.3
81.03445	0.6
85.02908	1.4
91.05465	0.5
93.07056	1.5
95.04983	0.4
97.02898	0.7
98.06059	0.4
98.97588	1.1
103.05466	6.6
103.47538	0.3
107.04955	1.6
120.08112	100.0
121.06510	0.4
121.08456	0.7
124.07545	0.4
127.03942	0.4
131.04942	2.5
135.04445	0.7
136.06210	0.4
137.05978	0.7
140.07045	1.0
145.02855	0.5
147.04347	0.3
149.06003	2.6
151.03932	0.4
160.07552	0.9
163.03932	3.4
164.04207	0.4
166.08647	51.6
167.07063	3.1
167.09073	0.3
170.99695	0.4
177.00769	0.4
181.08644	0.7
211.09641	2.9
219.01826	0.9
232.05843	0.3
237.02814	0.8
274.06979	0.5
353.53036	0.4
379.10645	0.4
550.58069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01871	2.2
55.05510	10.2
57.03434	8.2
57.06819	2.3
57.07080	35.3
67.05511	16.7
69.07059	9.2
70.06586	6.4
71.04989	2.9
71.08639	17.5
72.06348	2.3
73.02878	2.5
73.17538	2.3
79.05508	13.1
81.07063	21.8
83.04963	2.2
83.08606	10.8
83.32129	2.3
85.10201	13.4
89.06036	10.9
91.05465	6.3
93.07058	24.9
93.37864	2.1
95.04975	3.5
95.08619	40.5
97.02914	3.6
97.06509	2.2
97.10175	2.8
99.04439	4.1
105.07031	3.8
107.04932	6.7
107.08592	22.1
109.10152	6.8
111.04489	3.0
117.07018	6.9
119.08549	6.1
121.06506	2.5
121.10140	7.8
123.11663	3.8
125.05957	2.9
129.92221	2.3
130.07771	2.1
133.08548	4.3
133.10167	3.3
135.08107	2.2
135.11703	37.9
145.10115	22.3
146.11690	3.1
163.11188	44.9
171.84248	2.2
181.12225	7.3
227.12793	73.4
256.26401	4.0
283.15384	62.9
283.26312	15.0
300.28955	8.9
313.27386	100.0
359.45438	2.3
521.38440	74.5
556.53107	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57554	3.9
69.03430	8.1
69.87307	8.3
69.87710	15.6
70.06580	4.5
82.99839	5.0
85.02915	12.8
97.02895	8.8
98.21432	3.3
101.00884	41.3
109.02839	5.0
113.00896	11.8
119.01940	53.5
127.02407	12.5
127.03893	8.0
131.01912	27.0
139.02368	4.8
143.01900	40.9
145.03481	52.4
145.04762	6.0
145.04955	5.4
155.01917	33.6
157.03439	17.8
159.05020	13.6
161.02992	36.2
167.01939	13.8
169.03493	42.6
171.01472	4.8
171.05051	11.9
173.02979	39.3
175.04642	3.6
179.01868	9.1
181.03481	8.5
183.05096	5.6
185.02983	70.7
187.04549	66.9
189.02461	11.5
197.02931	24.5
199.04541	10.5
201.02429	5.7
203.04037	47.0
209.02892	4.9
211.04533	14.5
213.02458	21.4
215.04030	13.3
221.03113	6.7
221.05116	8.7
225.02379	6.6
227.03981	11.4
229.05540	4.8
231.03502	24.6
239.04135	6.7
245.05101	100.0
246.05211	4.1
257.01413	7.7
257.05048	7.9
263.06146	10.4
264.14392	3.9
271.06616	11.0
275.02484	76.0
275.06082	22.3
287.02533	23.0
287.05917	6.6
293.03589	17.3
293.07065	8.6
299.02386	4.7
305.03574	21.1
305.07254	10.2
315.05649	8.8
327.09213	8.1
333.06567	3.9
335.04605	36.3
341.03564	10.2
359.04630	33.6
365.09232	8.3
377.05652	66.2
395.06757	71.9
395.11539	3.5
539.10425	11.1
557.12061	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92972	0.2
53.03949	0.9
55.01865	0.2
63.02380	0.4
68.99805	0.4
70.65313	0.6
76.53607	0.2
78.04718	0.3
79.05553	0.2
81.03423	3.3
89.03923	6.5
91.05500	0.6
93.54304	0.2
96.64221	0.2
99.04465	3.0
103.05480	0.3
106.04177	0.6
107.07098	0.2
109.02886	5.1
117.03384	20.5
119.04965	0.4
127.03922	2.8
134.03648	1.3
135.04434	0.9
145.02855	45.6
146.03255	0.2
148.76936	0.2
149.05991	6.3
162.03201	0.3
163.03929	0.5
169.04979	13.6
175.03932	0.2
177.05478	100.0
178.05849	0.6
179.03508	0.2
181.80466	0.2
185.05972	0.3
186.05475	1.0
221.04593	0.3
243.06610	0.5
257.08249	0.2
259.09653	0.6
285.07617	2.7
303.08603	3.6
345.09750	1.9
385.91025	0.3
469.43530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90056	0.5
53.03940	0.9
55.05497	0.6
56.96541	0.5
57.03417	0.5
63.02363	0.8
67.05491	1.9
67.40424	0.5
69.03412	1.0
69.07047	1.5
69.39577	0.8
69.39980	3.4
71.04975	0.5
73.02898	0.6
76.74238	0.6
76.98438	0.4
79.05478	1.1
81.03424	4.8
81.07053	1.4
85.02900	0.8
86.09713	0.4
89.03925	8.1
91.05470	1.9
93.07029	1.9
95.04996	1.1
95.08595	1.4
97.02883	1.1
99.04456	2.9
103.05481	1.3
103.94416	0.5
105.07026	1.4
107.08583	1.2
109.02877	6.0
109.06507	0.7
109.10173	1.2
117.03387	19.8
117.07047	0.7
119.04951	0.9
119.08591	0.7
121.06513	0.6
121.10163	0.7
124.05245	0.6
127.03916	3.4
131.08546	0.6
134.03627	1.3
135.04431	1.5
135.11731	0.6
137.05997	0.7
145.02853	48.1
145.10107	1.5
147.04396	1.5
147.08141	0.8
147.11766	0.5
149.05998	6.7
151.03923	0.6
158.50032	0.5
159.11690	0.7
163.11101	0.6
165.83533	0.5
169.04973	13.9
169.10172	0.5
173.09700	0.5
175.03917	0.7
177.05478	100.0
178.05840	0.9
186.05542	2.2
187.11125	0.5
207.06535	1.2
257.07816	0.5
285.07617	2.5
300.06140	0.6
303.08627	3.9
315.05170	0.7
324.21198	0.5
324.27225	0.6
330.07077	0.6
331.07983	1.1
345.09833	1.7
378.89505	0.6
557.15637	1.6
557.27631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90056	0.5
53.03940	0.9
55.05497	0.6
56.96541	0.5
57.03417	0.5
63.02363	0.8
67.05491	1.9
67.40424	0.5
69.03412	1.0
69.07047	1.5
69.39577	0.8
69.39980	3.4
71.04975	0.5
73.02898	0.6
76.74238	0.6
76.98438	0.4
79.05478	1.1
81.03424	4.8
81.07053	1.4
85.02900	0.8
86.09713	0.4
89.03925	8.1
91.05470	1.9
93.07029	1.9
95.04996	1.1
95.08595	1.4
97.02883	1.1
99.04456	2.9
103.05481	1.3
103.94416	0.5
105.07026	1.4
107.08583	1.2
109.02877	6.0
109.06507	0.7
109.10173	1.2
117.03387	19.8
117.07047	0.7
119.04951	0.9
119.08591	0.7
121.06513	0.6
121.10163	0.7
124.05245	0.6
127.03916	3.4
131.08546	0.6
134.03627	1.3
135.04431	1.5
135.11731	0.6
137.05997	0.7
145.02853	48.1
145.10107	1.5
147.04396	1.5
147.08141	0.8
147.11766	0.5
149.05998	6.7
151.03923	0.6
158.50032	0.5
159.11690	0.7
163.11101	0.6
165.83533	0.5
169.04973	13.9
169.10172	0.5
173.09700	0.5
175.03917	0.7
177.05478	100.0
178.05840	0.9
186.05542	2.2
187.11125	0.5
207.06535	1.2
257.07816	0.5
285.07617	2.5
300.06140	0.6
303.08627	3.9
315.05170	0.7
324.21198	0.5
324.27225	0.6
330.07077	0.6
331.07983	1.1
345.09833	1.7
378.89505	0.6
557.15637	1.6
557.27631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01859	0.3
56.96550	0.2
63.02386	0.5
64.17356	0.2
67.01868	0.3
67.05506	0.5
68.99796	0.6
69.03432	0.8
69.07083	0.4
70.06589	0.5
70.94930	0.4
71.04971	0.4
73.02938	0.3
78.04708	0.4
79.05501	0.6
81.03425	4.1
81.07062	0.7
83.04964	0.3
83.08605	0.3
85.02921	0.8
89.03920	8.0
91.05473	1.2
93.07058	0.8
95.04994	0.8
95.08594	0.4
97.02914	0.5
97.06521	0.5
99.04464	2.7
103.05445	0.4
105.07039	0.7
106.04221	0.3
107.08598	0.5
109.02891	5.2
109.06514	0.5
109.10146	0.3
117.03385	19.2
119.04934	0.4
119.08574	0.6
120.08109	0.4
121.06520	0.5
121.10136	0.3
123.04449	0.2
127.03931	3.5
127.99666	0.2
130.69193	0.2
131.08618	0.3
133.10184	0.2
134.03616	1.4
135.04456	1.3
135.08061	0.3
137.05949	0.4
145.02855	48.5
145.10136	0.7
146.03239	0.4
147.04401	0.6
147.11624	0.3
149.05984	6.7
151.03879	0.4
157.10213	0.2
158.06021	0.4
159.11656	0.3
162.03139	0.3
163.03897	0.7
163.11224	0.3
169.04980	13.7
173.09584	0.2
175.03935	0.5
177.05478	100.0
178.05815	0.9
185.06000	0.4
186.05574	1.3
186.53421	0.2
187.11269	0.6
189.10274	0.2
191.10611	0.4
197.05791	0.2
207.06654	0.3
215.07083	0.3
215.10588	0.5
217.08669	0.3
221.04529	0.2
221.92061	0.2
242.05699	0.2
243.06406	0.3
251.12946	0.3
259.09576	0.5
270.05173	0.5
285.07635	2.8
303.08612	3.2
315.04901	1.4
316.05667	0.3
331.08167	3.0
345.09726	2.2
377.16064	0.2
380.84659	0.2
557.16711	0.2
557.28625	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	557.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05500	0.5
56.96567	0.3
62.74140	0.2
63.02386	0.5
67.05521	0.8
68.99809	0.8
69.03442	0.9
69.07096	0.5
71.05003	0.3
78.04708	0.3
79.05493	0.5
81.03424	4.7
81.07066	1.3
83.04985	0.5
85.02927	1.0
89.03928	8.2
91.05497	1.3
93.07068	0.7
95.04982	0.8
95.08618	0.8
97.02914	0.6
97.06496	0.3
98.21498	0.6
99.04469	2.7
103.05483	0.4
105.07050	0.7
106.04169	0.6
107.04967	0.5
107.08582	0.6
109.02897	5.9
109.06548	0.4
117.03392	21.3
117.07053	0.4
119.04948	0.5
119.08583	0.7
121.06509	0.6
121.10182	0.3
125.06034	0.3
127.03931	3.4
131.08557	0.6
134.03647	1.5
135.04430	1.2
136.63686	0.3
137.05981	0.7
143.08588	0.4
145.02864	47.0
145.10101	0.9
146.03230	0.3
147.04430	0.7
147.11703	0.4
149.05992	6.0
152.58900	0.3
154.72742	0.3
157.69588	0.3
158.06029	0.4
159.11664	0.5
162.03105	0.5
163.03949	0.6
163.11223	0.8
169.04979	13.9
173.09583	0.5
175.03889	0.7
177.05486	100.0
178.05824	0.5
181.08571	0.3
185.05956	0.4
186.05492	1.4
187.07527	0.4
187.11130	0.4
205.05078	0.4
207.06418	0.4
215.10768	0.4
217.08636	0.7
221.04391	0.4
233.11679	0.6
243.06473	0.4
245.15244	0.3
259.09570	0.4
270.05264	0.3
285.07498	2.8
291.16223	0.3
303.08685	3.3
315.04871	1.5
331.05084	0.3
331.08170	2.9
345.09692	2.2
395.17139	0.3
410.19724	0.3
557.16833	0.4
557.24921	1.4
557.33124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01862	6.3
55.05512	27.5
57.03428	8.0
57.07066	5.5
65.03938	4.6
67.05503	56.7
69.07075	19.8
70.64550	8.3
71.04969	3.8
79.05496	44.2
81.03413	7.1
81.07061	61.7
83.04983	10.5
83.08619	11.5
85.06561	3.5
91.05481	53.0
93.07053	42.7
95.04965	7.1
95.08598	38.8
97.06535	7.5
97.10166	6.4
99.08096	4.1
103.05447	3.1
104.10722	2.8
105.07035	46.8
107.04952	6.2
107.08602	26.7
109.06518	5.6
109.10160	13.2
111.08084	2.9
115.05431	4.5
117.06996	20.9
119.08585	30.8
121.06506	7.3
121.10151	18.5
123.08085	5.5
123.11697	2.5
128.06221	6.4
129.07031	24.2
131.08566	38.2
133.10120	24.6
135.07977	3.8
135.11690	11.6
141.06993	12.5
142.07780	5.6
142.26123	2.8
143.08559	29.4
145.10127	37.6
147.08070	2.5
147.11702	24.4
149.09581	4.3
149.13219	6.3
153.07094	2.6
155.08591	17.1
156.09300	3.4
157.10143	27.9
159.08012	4.0
159.11720	20.9
161.13246	11.7
163.11139	4.6
167.08563	11.0
168.09317	3.3
169.10159	21.5
171.11720	24.1
173.13245	14.3
175.14827	4.6
180.09332	3.7
181.10138	10.9
183.11687	18.2
185.09563	3.0
185.13277	15.8
187.11183	5.1
187.14734	5.2
193.10228	6.9
195.11734	15.9
197.13257	12.2
199.14821	10.5
201.16362	2.7
207.11870	3.0
207.13847	5.3
209.13327	9.8
211.14816	11.6
213.12834	3.3
213.16380	9.7
221.13290	2.7
223.14912	5.2
225.16429	6.2
227.18121	3.8
237.16243	3.6
241.19496	5.6
245.34042	2.5
259.20541	11.9
279.16003	5.8
281.17487	10.2
297.22211	3.8
299.23727	2.7
313.21701	2.9
321.22308	3.5
323.23859	3.9
333.24466	5.9
334.15439	2.8
335.23318	3.9
339.22949	3.0
341.03735	2.5
343.63705	3.1
353.24750	3.2
359.56116	2.8
429.31332	6.8
437.34158	10.9
447.32684	29.0
461.65338	2.7
465.33749	32.1
483.34763	17.2
501.35577	3.1
521.36133	6.9
527.36749	3.9
529.38568	7.7
539.37372	100.0
557.30896	3.5
557.38641	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01862	6.0
55.05512	26.3
57.03423	7.2
57.07064	2.6
65.03925	3.1
67.05164	3.1
67.05508	48.8
69.06763	1.9
69.07069	22.4
69.91515	6.3
71.04987	4.1
79.05052	2.4
79.05492	42.2
81.03423	4.1
81.07059	49.1
83.04968	6.9
83.08636	10.6
85.06528	4.2
91.05480	45.9
93.07043	43.6
95.04951	5.1
95.08605	37.1
97.06502	4.0
97.10165	7.2
99.08092	2.4
103.05434	2.9
105.04535	1.9
105.06371	2.9
105.07034	42.2
107.04953	4.9
107.08588	21.8
109.06521	4.7
109.10156	13.9
111.04431	1.8
117.07013	23.1
119.07787	2.3
119.08588	36.5
120.08152	1.9
121.06448	3.4
121.10150	13.8
123.08054	6.3
123.11682	3.5
125.09632	3.8
128.06215	6.1
129.07013	21.0
131.07593	2.4
131.08565	34.4
133.06470	2.8
133.10123	21.3
135.08069	3.0
135.11668	9.8
141.07005	10.6
142.07755	5.1
143.08572	26.8
145.10121	30.3
147.08011	3.5
147.11667	20.9
149.09618	3.4
149.13240	6.8
154.07845	1.7
155.08539	22.7
156.09358	3.9
157.10124	27.2
159.08136	2.5
159.11690	21.5
161.09651	3.7
161.13272	12.1
163.11206	3.4
165.07054	2.7
167.08559	7.4
168.09372	3.8
168.35728	1.6
169.10118	25.6
170.39720	1.6
171.11700	26.9
173.09592	2.9
173.13269	12.1
175.11256	1.8
175.14822	5.1
177.12778	3.0
178.37883	1.5
179.08495	2.8
181.10133	14.9
182.10918	2.9
183.11700	19.1
185.13271	14.5
187.11174	2.4
187.14813	5.8
189.12769	4.4
193.10164	5.4
195.11696	13.8
197.13289	15.6
199.11076	1.7
199.14798	9.4
201.16428	3.4
207.11693	4.2
207.13768	6.3
209.13316	7.9
211.14790	10.9
213.16315	12.2
215.14458	1.8
215.18007	2.3
219.11732	3.4
219.17558	1.8
221.13246	3.9
223.14847	5.7
225.16428	4.4
233.13264	3.1
235.14793	2.3
237.16348	4.2
239.17894	3.5
241.19543	6.7
247.16994	3.1
251.17871	3.3
253.19571	2.7
257.19086	3.6
259.20609	15.4
275.19922	2.2
279.15933	5.5
281.17389	10.9
287.20059	1.8
311.20340	1.8
311.23608	2.1
313.21716	2.4
315.23074	2.8
321.22122	2.3
323.23624	2.2
325.21481	2.1
325.25168	2.3
333.24298	6.1
339.23312	3.5
349.24930	3.6
353.24719	2.2
355.26358	1.9
379.25839	2.1
419.33127	3.6
429.31296	7.3
437.34375	11.2
447.32532	29.6
465.33673	34.9
483.34671	19.6
501.35562	2.8
521.36389	11.6
527.37103	2.4
529.38599	6.9
539.37323	100.0
540.37305	2.3
557.38507	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01868	4.8
55.05515	25.6
57.03436	7.3
57.07063	11.9
65.03943	6.0
67.05173	2.8
67.05509	53.0
69.07076	19.7
69.35812	2.8
71.04988	5.2
71.08620	3.9
71.60474	3.2
72.08141	11.7
72.63203	3.3
74.55062	2.6
79.05492	43.9
81.03432	7.3
81.06632	3.9
81.07063	48.8
83.04964	8.4
83.08620	14.4
89.06039	4.0
91.05485	42.2
92.12994	2.6
93.07050	44.1
95.04950	8.8
95.08112	3.5
95.08612	33.5
97.06528	7.6
97.10154	10.2
105.07031	42.5
107.04967	8.5
107.08610	21.3
109.06513	3.7
109.10168	13.7
111.08060	4.2
117.07021	16.0
119.08590	27.2
121.10125	11.4
123.08099	4.6
123.11743	5.6
128.06256	4.4
129.06984	14.7
131.08586	35.2
133.08559	5.1
133.10130	23.2
135.11703	9.1
141.06940	8.4
142.07742	4.0
143.08545	24.0
145.06493	3.7
145.10152	28.6
147.08049	3.4
147.11705	22.5
149.13206	5.0
154.07811	5.1
155.08527	14.6
156.09247	4.9
157.10136	24.0
159.11702	21.4
161.09622	3.3
161.13237	11.8
163.11133	4.2
167.08582	6.4
168.09421	4.0
169.10147	16.0
171.11708	18.1
173.13249	12.3
174.71753	3.2
177.12691	2.8
181.10106	12.8
183.11717	18.8
185.13263	15.8
187.11195	3.4
187.14822	5.8
193.10118	4.1
195.11729	12.8
197.13252	9.0
199.14871	6.1
201.16368	4.1
207.13805	4.0
209.13278	11.1
211.14809	8.0
213.16449	14.8
223.14941	5.2
235.14795	5.4
237.16348	4.3
241.19527	8.6
244.49089	2.9
247.17007	4.1
259.20590	12.7
263.17789	2.9
279.15961	8.5
281.17429	6.6
299.23792	3.3
309.22260	4.3
321.21909	3.5
353.24469	3.4
429.31369	4.6
437.34152	11.8
447.32635	25.8
465.33679	23.5
483.34796	17.0
485.33826	3.1
511.37543	3.6
521.35876	7.6
529.39069	4.3
539.37384	100.0
540.37952	5.2
557.38403	54.4
557.52289	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01870	7.1
55.05515	27.2
56.96574	2.6
57.03425	6.3
57.07078	3.2
65.03941	4.6
67.05509	48.4
69.03448	3.2
69.07076	17.2
69.07384	2.6
71.61382	3.3
71.61748	3.5
79.05497	59.3
81.03419	6.2
81.07061	50.4
83.04978	7.0
83.08620	12.1
84.04507	3.6
85.06539	4.6
91.04958	3.9
91.05488	53.6
92.50064	2.3
93.07052	51.5
95.04945	11.7
95.08616	43.3
97.06511	9.5
97.10155	5.7
99.08083	2.9
103.05416	4.0
105.07034	49.7
107.04957	10.3
107.08609	29.4
109.06517	7.0
109.10155	17.5
110.48163	2.6
111.08060	4.5
117.07029	22.3
119.08589	34.4
121.06512	4.3
121.10154	16.2
123.08051	7.0
123.11694	4.3
126.68228	2.2
128.06194	3.5
129.07040	16.0
130.07771	2.6
131.08566	34.9
133.10176	23.4
135.07976	2.5
135.11708	20.1
137.09619	4.2
141.07002	11.1
142.07768	6.7
143.08565	23.4
145.06487	5.4
145.10144	38.5
147.08073	2.9
147.11681	16.3
149.09616	3.6
149.13263	5.5
151.11172	3.1
155.08580	22.1
156.09299	3.0
157.10162	20.4
159.11670	19.3
161.09647	6.2
161.13261	10.1
162.72049	2.9
163.11218	11.5
165.07062	2.8
167.08586	8.2
169.10149	26.3
171.08118	3.0
171.11703	27.4
173.13286	11.6
175.11116	3.4
175.14792	6.9
179.14285	4.8
181.10025	11.5
183.11722	18.1
185.13269	11.2
187.11197	4.7
187.14774	6.8
189.12767	3.9
193.10194	4.7
195.11678	9.7
197.13278	14.7
199.14833	9.7
207.11690	5.0
207.13809	5.1
207.15718	2.6
209.13300	6.8
211.14804	8.8
213.16338	8.9
215.14267	3.4
219.17465	3.9
221.13202	4.6
223.14812	6.6
225.16458	5.0
227.12712	11.6
241.19453	5.8
247.17014	4.5
249.16370	2.7
251.18037	4.0
257.19125	5.1
259.20731	12.6
275.20050	12.1
277.21661	2.5
279.16006	3.4
281.17523	9.3
287.20023	2.7
323.23798	3.8
325.21732	2.6
327.23300	3.2
333.24414	3.9
335.23697	3.4
341.24713	5.2
353.24780	3.4
419.33032	5.0
429.31311	7.3
437.34314	9.1
447.32724	24.6
465.33762	25.4
483.35101	20.0
521.36218	9.0
529.38531	8.4
539.37421	100.0
557.39050	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47980	3.1
55.01867	3.7
55.05506	13.6
57.03421	12.4
57.07076	29.9
60.34189	2.9
67.05513	22.5
69.07059	7.5
69.26999	26.6
71.05001	3.7
71.08640	20.5
79.05492	12.6
81.03427	46.9
81.07069	26.9
83.04976	11.6
83.08632	29.7
85.02914	14.8
85.06534	4.3
85.10165	10.2
91.05493	17.4
93.07027	12.0
95.04958	23.2
95.08607	21.3
97.10214	6.8
105.07026	10.8
107.08562	8.8
109.10143	10.1
111.08118	8.3
119.08568	10.9
121.10117	6.9
129.06982	4.7
131.08589	5.2
133.10143	4.9
135.11623	3.7
145.10187	4.7
147.11705	8.2
157.10173	8.8
175.11217	9.1
193.12210	34.0
211.13307	56.6
256.26389	5.2
267.15875	10.7
285.17001	40.3
313.27374	67.6
358.48712	3.7
505.38672	9.1
523.39972	100.0
558.42639	4.5
558.53845	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	559.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15327	1.1
56.49453	1.2
61.75233	1.1
63.43635	1.3
69.95667	4.6
69.96082	1.9
89.03912	1.9
98.20826	2.4
110.13123	1.2
115.05457	1.5
117.03370	1.6
118.06548	19.9
127.94767	1.2
132.08090	3.7
135.04413	2.7
141.84723	1.3
142.06525	2.6
143.07329	2.1
144.04477	1.2
144.08078	13.0
145.02872	2.4
146.06015	58.2
156.02460	1.1
157.11118	1.2
159.09186	4.1
160.45198	1.2
163.03870	9.9
170.06050	4.3
188.07072	100.0
189.07382	1.7
194.68777	1.3
205.09738	42.4
399.18500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47156	1.0
67.91631	0.7
69.25760	1.9
69.26176	7.0
70.85744	0.8
74.02438	1.4
89.03928	1.9
91.05482	2.2
98.21400	2.7
98.97605	0.8
112.20883	0.9
115.05489	2.3
117.03346	1.2
118.06552	21.3
119.56013	0.9
130.06541	1.0
132.08096	6.1
135.04434	2.3
142.06517	1.3
143.07310	2.6
144.08089	12.1
145.02899	2.0
146.06020	62.9
147.04425	1.7
159.09186	6.9
160.07576	0.9
163.03902	10.2
164.04321	1.5
170.06081	5.1
177.05518	3.6
188.07077	100.0
189.07265	1.2
205.09732	42.1
237.02856	1.0
292.19363	0.8
559.15759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43823	0.3
65.43058	0.2
69.34330	0.3
69.34628	2.5
70.06596	0.4
81.03428	0.3
81.07046	0.4
85.02888	0.8
91.05473	0.7
93.07072	0.4
95.04961	0.5
95.08598	0.4
98.21491	0.6
99.04515	0.3
107.08608	0.3
119.04914	0.4
121.06490	0.3
123.04449	0.3
127.03934	0.5
131.08525	0.2
133.10141	0.4
136.07603	0.7
137.05995	0.3
147.04320	0.3
151.03816	0.3
162.05508	0.3
167.07045	0.3
203.05238	1.5
207.06558	0.3
307.06308	0.3
337.10721	0.3
349.23715	0.9
367.24640	0.3
379.24585	7.5
386.73218	0.3
397.25629	1.9
415.23022	0.3
500.89053	0.3
529.29755	1.1
541.29498	0.5
546.28259	0.3
559.30951	100.0
560.31500	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.6
53.03941	5.4
55.01871	7.3
55.05256	2.4
55.05514	44.1
56.96562	2.6
57.03429	6.3
57.07067	4.9
57.60814	1.5
61.02909	2.3
65.03944	4.4
67.05505	78.0
67.05870	3.7
68.05811	1.5
69.03424	6.9
69.07071	22.4
69.57664	4.3
69.58086	9.3
71.05000	4.2
79.05495	61.0
81.03425	7.0
81.07060	75.8
83.04981	7.6
83.08624	24.3
85.02909	4.0
85.06543	4.0
89.64967	1.6
91.05056	1.1
91.05483	53.7
93.07048	62.9
95.04960	11.3
95.08607	43.9
97.02905	5.1
97.06526	7.4
97.10176	25.7
98.21470	2.5
99.00822	10.7
103.05430	2.9
105.07033	48.4
107.04950	6.0
107.08585	34.0
109.02875	8.8
109.06529	6.6
109.10165	23.9
109.62107	1.6
111.04480	4.9
111.08069	4.2
115.05480	4.6
117.07019	17.4
119.05003	3.0
119.08581	33.1
121.06522	6.8
121.10149	27.2
123.04420	2.1
123.08097	3.5
123.11724	6.9
125.09628	14.0
127.03925	2.9
128.06190	3.9
129.07022	10.0
130.07808	1.7
131.08571	24.2
133.06512	3.9
133.10132	40.9
133.11064	3.2
134.10495	1.9
135.08080	5.0
135.11710	19.4
137.09622	3.2
137.13274	2.9
139.07565	2.1
139.11182	2.3
141.06999	3.2
143.08569	15.8
145.06535	2.5
145.10117	20.2
147.08069	5.5
147.11710	15.9
149.09602	4.3
149.13242	9.4
151.07631	1.9
151.11165	8.7
153.12857	1.9
155.08583	5.3
157.10141	8.7
159.08154	2.4
159.11671	12.4
161.09630	13.9
161.13301	10.4
163.11253	5.8
163.14868	3.0
169.10194	5.6
171.08081	5.7
171.11687	8.6
173.09656	3.0
173.13232	11.2
175.11191	3.0
175.14894	2.4
177.12875	1.9
179.10719	4.9
181.12286	3.4
183.11745	5.3
185.09663	2.6
185.13301	6.7
187.11197	3.0
187.14899	3.5
189.09154	6.1
189.11256	5.8
189.16408	2.1
195.11864	4.4
197.13293	4.2
199.11205	3.0
199.14812	3.3
205.12221	1.8
207.10228	3.0
209.11739	2.4
211.14861	3.9
213.16370	2.9
215.18089	1.8
223.15036	3.2
225.11179	11.1
227.12813	10.3
241.19553	2.1
243.21219	1.9
257.18970	2.2
259.20712	4.5
261.22202	10.9
269.10748	2.2
273.18674	1.8
275.20087	3.4
277.21744	6.5
281.13776	9.5
283.15396	1.9
287.23718	6.7
291.19543	8.4
297.22308	3.0
299.20303	3.7
313.21719	2.8
315.23184	19.9
317.24878	3.0
333.24347	2.7
335.25937	2.9
411.13211	2.3
421.31213	7.4
429.11993	2.3
431.29471	3.2
439.32220	7.3
449.30475	13.1
457.32922	4.4
467.31598	22.3
475.34360	2.2
485.32556	13.4
495.35159	2.9
513.36035	18.5
515.37738	4.4
523.34241	4.6
531.36719	16.4
541.35327	45.9
559.36450	100.0
559.46259	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.8
55.01858	4.0
55.05515	28.9
57.03438	10.3
57.07067	5.1
63.04135	1.8
65.03923	4.4
67.05507	100.0
69.07069	22.5
70.25835	3.3
70.26229	5.7
71.04980	4.3
71.08652	2.0
77.03888	2.1
79.05495	94.6
81.03416	7.1
81.07059	81.7
83.04981	12.8
83.08615	13.3
85.06533	4.7
91.05486	70.8
93.07044	95.3
95.04971	20.5
95.08607	64.2
97.06528	6.1
97.10161	7.2
99.08021	2.1
103.05470	2.3
105.04473	3.0
105.07024	45.5
106.46288	1.9
107.04956	7.4
107.08598	35.9
109.06536	5.5
109.10161	18.8
111.08092	4.9
115.05451	2.3
117.07034	14.9
119.08588	30.5
121.06462	3.4
121.10133	20.0
123.08064	7.4
123.11711	5.1
128.06216	3.1
129.07030	18.2
131.08582	18.0
133.10135	17.4
135.11690	15.2
141.07013	2.5
142.07808	2.3
143.08586	11.4
145.10112	21.3
147.11691	40.2
149.13271	8.7
157.10130	3.9
159.11703	12.4
161.09650	3.7
161.13229	17.4
163.11200	2.8
169.10094	2.6
171.11700	31.3
173.13336	6.5
185.13278	3.9
187.14888	3.8
189.12759	9.2
199.14778	2.8
207.13797	28.6
224.50461	2.3
243.20996	2.8
261.22153	11.1
279.15866	4.8
281.14197	3.7
281.17462	37.6
318.67648	2.1
335.25812	55.2
449.34271	3.0
467.35278	3.3
485.35861	2.9
541.30499	4.1
541.38934	82.2
559.40204	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.8
55.01876	5.4
55.05510	25.9
57.03440	10.9
57.07072	11.5
67.05509	97.6
69.07078	23.5
71.60070	5.9
73.91574	4.2
79.05054	6.7
79.05495	99.0
81.03436	11.7
81.07059	100.0
83.04989	15.5
83.08620	19.1
85.06547	9.4
91.05478	65.6
91.78980	4.5
93.07043	91.7
94.52615	4.7
95.04971	17.6
95.08611	61.8
97.06532	10.1
97.10189	11.0
105.07027	46.5
107.04942	9.5
107.08595	37.1
109.06530	8.0
109.10164	21.8
117.07021	8.0
119.08577	34.1
121.10149	31.2
123.08046	6.1
123.11717	13.7
129.07028	14.0
131.08575	18.4
133.10126	18.6
135.11703	17.9
143.08537	8.1
145.10121	23.2
147.11685	25.9
149.13292	7.1
150.00380	5.0
153.42969	4.9
159.11685	7.9
161.09624	7.4
161.13268	17.2
169.10182	7.9
171.11662	23.3
185.13185	5.5
189.12782	8.0
207.13805	20.9
261.22104	11.5
281.17508	29.3
294.89047	5.3
302.76303	4.8
317.24759	5.8
335.25882	37.4
416.27734	5.0
460.55505	5.9
541.38965	62.3
559.40106	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95955	2.5
53.03944	13.5
55.01886	3.4
55.05519	35.8
57.03436	12.1
57.07079	9.1
62.78585	2.7
65.03949	4.8
67.05511	100.0
69.07078	26.7
69.58076	2.7
71.04975	3.4
71.08617	2.9
71.21396	3.1
71.21721	4.8
74.21976	2.7
79.05051	4.3
79.05504	90.9
81.03424	8.3
81.07063	99.2
83.04990	16.4
83.08627	14.5
85.06548	3.9
91.05487	68.6
93.07054	80.6
95.04972	24.6
95.08618	55.6
97.06534	7.7
97.10220	6.8
105.07035	54.1
107.04959	8.9
107.08599	37.7
109.06538	5.7
109.10171	19.0
111.08096	4.4
115.05473	3.4
117.07055	18.0
119.08597	36.8
121.06507	3.8
121.10154	23.1
123.08095	8.4
123.11693	8.1
129.07022	16.9
131.08588	24.5
133.10162	19.9
135.11711	15.0
143.08557	10.3
145.06508	3.7
145.10168	22.4
147.11691	38.7
149.13275	7.8
155.08566	4.6
157.10139	8.5
159.11674	14.5
161.09613	3.7
161.13258	15.3
169.10165	6.0
171.11732	25.5
173.13341	8.3
175.14850	3.3
179.14412	3.0
189.12766	8.3
207.13805	20.3
261.22168	9.6
279.15991	7.5
281.17419	31.4
285.17197	2.9
291.19724	4.9
317.24768	3.5
324.91492	3.3
335.25827	49.4
449.34854	3.2
467.34998	4.5
474.91418	2.8
527.37213	3.8
541.39063	62.5
559.39063	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73501	2.3
52.29390	2.7
53.03944	11.8
55.01865	6.0
55.05510	29.2
55.62782	2.4
57.03436	15.0
57.07055	7.5
62.99617	2.4
65.03936	6.1
65.78076	2.3
67.05503	91.0
69.07063	21.1
70.40838	2.6
71.04980	5.7
71.59885	3.0
77.03929	3.5
79.05494	100.0
81.03400	8.0
81.07056	89.0
83.04972	15.4
83.08609	12.3
85.06526	3.9
89.60313	2.7
91.05483	74.3
93.07047	93.9
95.04961	21.5
95.08041	4.2
95.08607	62.1
97.06531	8.4
97.10178	6.1
99.08099	3.5
105.04524	3.3
105.07034	52.5
107.04940	8.6
107.08605	36.2
107.19897	2.7
109.06493	7.0
109.10149	23.8
111.04439	2.9
111.08070	3.5
115.05455	2.9
116.64733	2.5
117.07022	17.5
119.08594	33.5
121.06482	4.2
121.10146	23.0
123.08070	8.3
123.11669	6.8
129.06996	14.5
131.08568	15.9
133.10153	15.8
135.08060	3.9
135.11673	19.9
137.13205	2.5
141.06956	4.2
142.07715	2.5
143.08542	11.5
145.10133	22.0
147.08086	2.7
147.11703	34.8
149.13252	12.2
155.08528	3.7
159.11668	10.7
161.09657	5.4
161.13298	15.8
163.11171	2.9
169.10094	7.3
171.11719	29.9
173.13261	13.4
183.11725	3.6
187.14749	3.4
189.12764	11.1
199.14828	5.6
207.13776	23.5
211.14873	3.7
213.24881	2.8
243.21140	3.4
259.20596	2.9
261.22189	17.2
274.00879	3.0
279.15955	5.4
281.17450	48.9
317.24789	4.9
335.25842	34.9
408.58609	2.7
449.33923	3.1
467.34766	3.9
538.75940	3.1
541.38953	70.0
559.40283	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	560.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.03452	0.4
57.07085	2.3
59.76588	0.4
65.03937	1.0
67.05496	0.5
69.03441	1.7
70.13173	0.4
71.59517	0.4
73.06546	0.5
79.05515	0.4
81.03400	1.5
81.07063	0.5
85.02917	2.3
87.00824	1.1
91.04019	0.4
91.05479	0.8
93.07024	0.4
95.08617	0.9
97.02890	1.2
97.06528	0.6
99.04508	0.5
102.66324	0.4
105.01886	0.8
105.06987	0.5
107.04985	0.4
107.08627	0.4
107.67524	0.4
109.02889	1.4
119.08607	0.4
121.02876	2.4
121.03658	0.3
127.03924	1.4
145.05026	0.6
149.02347	100.0
167.03444	1.4
167.07158	0.3
203.07130	0.3
205.08598	20.5
221.08142	1.0
277.14386	9.0
295.15421	0.8
310.02591	0.3
315.87518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62263	0.3
53.03948	0.5
55.05517	2.2
57.03430	0.4
57.07082	2.2
59.83953	0.2
65.03944	0.7
67.05505	0.3
67.08710	0.3
69.03442	0.7
69.31743	1.3
69.32172	1.3
73.02937	0.4
73.06534	0.4
76.99265	0.2
81.03410	1.2
81.07043	0.7
85.02907	3.0
87.00826	1.1
91.05494	1.0
93.07031	0.6
95.08598	0.4
97.02883	1.0
98.51655	0.3
99.04459	0.4
105.01899	0.6
105.07034	0.5
105.89032	0.3
107.08496	0.3
109.02871	1.2
109.10173	0.3
119.08592	0.5
121.02859	2.4
121.03956	0.5
127.03962	1.4
133.10187	0.3
145.04939	0.6
145.10135	0.3
145.98898	0.3
149.02345	100.0
150.02699	0.4
159.02916	0.5
167.03445	0.9
190.05014	0.5
205.08611	22.2
221.08092	0.9
249.74673	0.3
277.14371	10.1
289.17810	0.3
295.15588	0.5
331.08118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01864	0.4
57.03445	0.4
61.02931	0.3
67.05505	0.3
69.03439	0.7
70.06602	1.3
70.40363	0.4
72.08138	0.4
73.02901	0.4
77.93753	0.3
78.04702	1.2
79.05484	0.7
81.03426	0.6
84.04514	0.3
84.08124	0.4
85.02901	2.6
86.09682	0.4
89.03896	0.4
91.05490	0.9
93.07054	0.4
95.04974	0.5
97.02897	0.8
98.21439	0.3
98.97583	0.5
103.05466	0.5
103.77588	0.3
105.07007	0.4
106.04158	0.7
107.04945	0.8
109.02856	0.4
109.10128	0.3
110.07162	0.4
111.04432	0.4
113.06018	0.3
115.05457	0.2
117.03365	0.3
119.04955	0.5
121.06491	1.1
123.04422	3.7
124.05209	0.7
127.03899	0.4
130.06509	0.3
131.04955	0.5
133.06465	0.3
135.04402	0.5
137.05995	0.7
139.03966	0.2
145.02861	0.5
147.04413	1.2
149.05934	0.3
151.03891	0.8
152.04674	0.9
153.05470	0.3
161.05933	0.4
162.07628	0.3
163.03899	3.2
164.04291	0.4
167.07047	100.0
168.07373	0.8
176.04750	0.4
177.05457	0.7
180.08691	0.8
181.06468	0.3
181.08643	1.1
191.07039	2.6
193.08583	0.4
195.08017	0.4
198.06757	0.3
202.10637	0.3
209.06152	0.3
209.08092	0.5
210.06827	0.4
223.07448	0.3
227.06934	0.4
237.02965	0.4
237.05515	0.2
241.08617	0.3
253.08754	0.4
266.05545	0.3
269.08017	0.5
272.19366	0.3
273.11105	0.6
284.10483	0.3
285.11249	0.4
301.10803	1.0
313.10684	2.1
328.13730	0.3
330.11026	0.3
333.13358	3.3
345.13358	14.6
363.14429	1.4
398.23279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
53.57117	0.4
55.05511	1.1
56.96569	1.2
63.02364	0.8
67.05495	1.4
69.03434	1.6
69.07066	1.1
70.06603	0.6
70.80730	1.4
72.08147	0.7
78.04694	0.6
79.05479	0.8
81.03423	1.5
81.07065	1.8
83.04984	0.6
83.08640	0.5
84.23905	0.4
85.02910	1.1
89.03920	11.5
91.05474	3.1
93.07030	1.3
95.04977	1.2
95.08593	1.0
97.06516	1.2
98.97589	1.5
100.11261	1.0
103.05495	0.8
105.07045	1.5
106.04196	0.8
107.04963	1.7
107.08607	0.9
109.02913	0.8
109.10094	1.1
116.98576	0.5
117.03384	29.0
117.07047	0.6
119.04948	0.7
119.08616	1.0
121.02816	0.6
121.06525	0.6
121.10194	0.5
123.04427	0.6
123.08088	0.6
124.05186	0.5
127.03915	0.8
130.06525	0.7
131.04910	0.6
131.08591	0.6
133.10138	0.6
134.03627	1.6
135.04417	1.8
135.11700	0.5
137.05968	1.5
145.02847	62.3
145.10219	0.6
145.85703	0.5
146.06032	3.1
147.04439	1.8
149.02393	0.7
149.05969	9.4
151.03876	0.7
151.07567	0.6
156.08092	0.8
158.06056	0.7
158.09610	0.5
160.07597	0.9
161.05963	0.5
161.09697	0.5
163.07619	0.5
167.07037	13.3
168.08044	0.6
170.06006	2.5
175.07547	0.7
177.05470	100.0
178.05949	0.6
181.08578	1.3
182.15240	0.7
184.07608	4.3
186.05498	1.7
186.09090	0.6
187.08675	2.1
187.25327	0.5
191.07030	1.4
193.08539	0.6
193.12312	0.5
196.07579	1.4
199.08537	0.5
203.60170	0.5
207.06485	1.1
210.14938	0.8
213.10202	2.1
215.08388	0.6
216.06171	0.5
231.06560	1.1
258.09198	0.6
274.08740	0.7
290.11911	0.7
306.11185	1.1
318.11240	1.3
320.09280	0.9
322.10629	0.7
325.07080	0.6
334.10892	0.8
335.11575	1.3
338.09677	0.5
338.13873	10.1
350.13882	13.0
353.14868	1.0
355.16541	8.5
365.14920	0.6
367.16455	4.7
368.14755	1.4
377.14890	1.3
395.16223	0.6
407.16077	2.2
503.70880	0.5
514.17560	0.6
515.17889	0.7
526.18359	0.9
531.21277	3.0
543.21527	3.2
543.28369	0.8
561.21906	0.7
561.31165	2.1
561.39819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03952	16.4
55.01877	21.4
55.05294	2.1
55.05516	27.9
55.26265	1.9
57.03444	19.5
57.07074	5.4
61.02935	5.8
65.03938	5.4
65.59587	1.9
66.04195	2.0
67.05508	94.1
69.03433	53.1
69.07079	16.9
69.32580	4.0
69.32982	15.5
71.01366	2.9
71.04988	7.6
71.87528	2.1
73.02921	48.7
75.04467	2.2
76.88504	1.7
79.05499	56.8
81.03423	35.1
81.07059	100.0
83.01318	2.0
83.04986	14.2
83.08637	11.2
85.02910	35.4
85.06551	3.6
91.05482	41.2
93.06463	3.8
93.07053	69.3
95.04995	7.1
95.08612	74.8
97.02908	19.3
97.06535	6.1
97.10176	8.3
99.04452	22.5
105.04520	2.5
105.07044	29.1
106.97970	2.1
107.08602	36.3
109.02886	65.8
109.06564	4.6
109.10167	38.3
110.03680	6.5
111.04454	54.6
111.08105	4.4
115.04018	2.2
117.07043	10.9
117.07774	2.0
118.05263	1.9
119.08556	20.0
119.09213	1.8
121.10152	31.4
123.08073	3.6
123.11710	14.9
125.09659	3.5
127.03917	35.0
129.07025	4.1
130.88899	2.2
131.08571	22.6
132.99562	27.1
133.10127	17.6
135.11696	26.1
137.13257	4.2
143.08575	5.3
145.10112	14.2
147.11708	14.4
148.99081	2.4
149.09622	3.1
149.13281	14.2
151.00633	5.8
151.11243	2.2
155.00168	3.3
157.10201	4.6
159.11702	13.0
161.13264	14.2
163.11218	3.4
163.14861	6.7
165.12793	3.4
169.10123	2.3
171.11700	3.7
172.99071	5.8
173.13232	11.4
175.14854	4.4
177.12819	2.9
177.16393	3.1
179.14346	4.7
187.14896	6.1
188.07346	2.1
191.00092	28.2
199.14804	2.2
201.16426	4.4
209.01180	6.9
216.18468	2.0
234.67000	2.6
243.21214	10.5
259.20587	3.5
261.22119	34.7
265.03857	2.8
279.23376	3.8
303.23236	3.2
317.24826	3.6
335.25769	35.6
347.26068	2.1
381.74384	2.1
525.36389	2.0
543.37122	8.1
561.27344	64.3
561.37482	8.5
585.43866	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	561.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05487	0.5
63.40829	0.3
67.05505	0.7
67.44990	0.3
69.03416	0.8
69.07074	0.7
70.06580	1.5
71.60912	0.4
72.08138	0.5
76.49793	0.3
79.05496	0.5
81.03413	0.7
81.07055	1.0
83.04976	0.5
84.04505	0.6
84.08138	0.8
85.02908	1.0
86.09707	1.3
89.03921	0.3
91.05479	1.7
93.07032	0.4
95.04975	0.8
95.08588	0.6
105.07073	0.8
107.08601	0.9
109.10158	0.8
117.03375	1.2
119.04963	0.8
119.08545	0.6
121.06477	0.4
121.10188	0.6
130.62292	0.4
133.10094	0.5
136.07594	1.0
137.05992	0.6
138.09145	0.9
141.10172	0.4
145.02858	2.1
147.04390	1.0
151.03944	0.6
155.03488	0.3
157.53104	0.4
159.11810	0.5
163.03915	0.6
164.07074	2.1
167.07068	1.3
168.88416	0.4
175.03992	0.5
175.07558	0.5
177.05484	4.1
180.49176	0.4
181.04985	0.6
193.04993	0.6
197.11537	1.8
201.03687	0.7
207.06532	1.6
227.12544	0.8
252.12521	0.6
253.12958	0.7
283.06094	0.6
313.06967	0.6
337.07166	0.6
343.17377	0.9
350.14243	0.4
357.18823	8.2
381.09497	0.4
381.26187	1.2
387.19937	6.8
425.80386	0.4
507.12680	0.4
531.31421	0.4
543.23120	0.4
543.31085	1.0
561.32440	100.0
562.32971	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	561.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
57.03442	1.1
57.07077	2.6
67.05511	1.6
69.07056	1.2
70.72773	1.0
70.73112	1.6
71.08627	2.6
79.05495	0.8
81.07064	1.6
85.10175	0.9
87.28509	0.8
91.05505	0.8
93.07063	0.8
95.08623	3.1
109.10153	1.1
121.10113	0.9
145.10175	1.0
170.30121	0.8
249.10997	21.1
305.13693	6.5
313.27585	2.3
561.37671	100.0
562.38098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01878	10.2
55.05518	38.3
57.03438	11.0
57.07087	3.4
61.86692	2.8
65.03951	3.1
67.00043	2.4
67.05510	100.0
67.98000	2.4
69.03433	4.2
69.07072	27.5
71.04989	11.8
71.89142	2.5
79.05502	84.2
79.07911	2.4
81.03426	8.7
81.07065	99.1
83.04982	9.8
83.08635	21.0
84.04506	7.3
85.02930	2.8
85.06548	4.2
91.05482	54.2
93.07054	96.2
94.20898	2.4
95.04980	16.2
95.08612	94.5
97.02898	3.4
97.06528	13.2
97.10163	10.5
97.20572	2.6
99.04469	6.2
103.05479	2.8
105.04543	2.7
105.07048	43.8
107.04961	16.4
107.08604	61.4
109.06538	10.4
109.10165	36.7
111.04458	3.5
111.08056	4.2
117.07016	23.2
119.08588	39.5
121.06518	7.5
121.10153	48.2
123.08099	4.0
123.11721	7.2
125.09618	7.9
129.07024	8.3
131.08591	30.3
133.10153	26.1
135.08051	4.7
135.11703	59.2
137.09613	3.0
137.13255	3.1
139.07584	2.9
143.08574	7.6
144.06551	5.7
145.10127	47.6
147.11728	15.3
149.09645	4.2
149.13310	10.8
151.11208	4.0
157.10130	6.5
159.11688	14.9
161.13295	7.7
163.11201	57.2
163.14894	3.4
171.11681	5.0
173.09607	5.1
173.13318	10.2
175.11290	2.9
175.14864	3.4
181.12248	9.9
183.11829	3.9
185.13176	5.4
187.14864	4.5
191.10782	7.7
193.12277	4.3
201.16397	2.9
205.15530	2.9
209.11726	8.3
227.12790	99.8
229.14345	4.9
243.21194	8.8
259.20517	3.1
261.22208	28.0
265.14392	4.5
267.16000	3.5
277.21704	4.7
283.15442	42.2
301.21707	2.7
315.23059	3.8
317.24786	10.8
335.25842	69.3
338.85431	3.0
451.32098	6.5
469.33160	5.4
525.35895	7.7
543.36914	63.6
561.38037	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01865	6.7
55.05511	28.5
56.12385	1.5
57.03440	11.2
57.07076	3.6
65.03935	4.9
67.05505	86.0
69.03426	2.6
69.07069	22.2
71.04996	14.7
71.08628	2.7
71.20206	1.5
71.60117	2.0
79.05492	72.0
81.03410	4.2
81.07059	87.9
83.04974	8.1
83.08615	15.7
85.06532	3.8
91.05481	41.3
93.03389	1.6
93.07045	86.3
95.04975	13.8
95.08609	81.1
95.09228	3.2
97.02888	5.7
97.06511	9.5
97.10166	5.4
99.04441	4.1
99.08078	2.0
103.05443	1.6
105.07029	33.8
107.04964	12.1
107.08595	61.5
109.06515	5.8
109.10168	22.3
111.04472	2.2
111.08096	4.1
113.09586	1.9
117.07031	19.6
119.08587	29.0
121.06485	6.9
121.10141	35.9
123.08084	3.2
123.11717	7.4
125.06051	1.4
125.09621	3.1
129.06979	3.9
130.07765	4.5
131.08568	18.1
133.10130	21.2
135.08119	2.5
135.11694	57.8
137.09644	2.8
137.13226	2.1
139.07631	1.9
139.13916	1.5
143.08553	4.3
145.10126	36.2
147.11703	9.1
149.09662	3.6
149.13274	11.2
151.11156	3.5
155.08559	2.0
159.11676	8.7
161.13220	6.0
163.11182	54.2
163.14841	3.8
169.10147	1.9
171.11632	2.9
173.13255	5.4
175.14798	2.7
177.12756	2.7
179.14326	3.0
181.12216	10.7
183.11678	1.9
183.13817	4.1
185.13271	2.2
187.14771	2.5
195.13889	2.4
209.11705	1.7
227.12772	100.0
228.13034	2.0
235.92645	1.7
243.21100	8.9
261.22153	27.8
275.19989	2.9
277.21613	2.9
283.15408	36.7
299.23956	1.6
317.24777	8.2
335.25787	79.3
469.32605	2.0
517.38800	6.3
529.38641	6.2
543.36829	44.9
561.40619	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01867	4.6
55.05515	17.2
57.03440	7.5
57.07071	3.0
58.39656	1.3
63.26159	1.3
63.26538	1.2
65.03950	2.2
67.05157	2.8
67.05511	55.1
69.03442	2.9
69.07079	12.6
70.16542	6.1
71.04987	4.5
71.08625	1.7
71.43326	1.3
79.05498	50.0
81.03441	2.4
81.07063	57.1
83.04987	5.1
83.08620	12.3
91.05492	22.6
93.07053	64.5
95.04973	7.8
95.08614	56.3
95.09228	2.2
95.24561	1.3
97.02914	2.9
97.06539	4.4
97.10163	5.3
98.21368	2.5
99.04436	3.5
105.04546	1.5
105.07050	19.4
107.04954	9.1
107.08604	39.8
109.06557	2.0
109.10158	18.1
111.08047	2.1
117.07031	11.8
119.08583	19.0
121.06550	6.7
121.10163	23.4
123.08123	1.7
123.11701	5.6
125.09660	2.0
129.07045	2.0
130.07840	1.5
131.08556	11.5
133.10135	13.1
135.08113	3.2
135.11708	46.7
137.13286	2.2
137.68329	1.2
143.08606	2.6
145.10127	28.8
147.11682	5.9
149.13290	5.5
151.11250	1.7
157.10223	1.8
159.11720	5.8
161.13286	3.7
163.09833	2.8
163.11200	51.6
163.14819	2.9
173.09669	1.4
173.13271	6.1
175.11281	1.4
181.12238	10.6
187.14738	2.3
194.68190	1.5
209.11739	3.4
227.12799	100.0
243.21077	7.6
247.39426	1.3
261.22171	23.6
279.23343	1.5
283.15414	44.1
283.18491	2.5
313.74506	1.5
317.24731	10.2
335.25833	56.1
335.29883	2.7
336.26178	1.8
469.33197	3.2
481.04559	1.5
529.38733	2.0
543.36920	30.9
561.39819	13.0
562.98285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.3
52.79701	1.0
53.03949	7.0
55.01862	3.5
55.05510	22.7
57.03428	3.2
57.07069	4.2
59.05002	1.7
59.51513	1.1
61.02919	1.5
65.03952	5.5
67.05506	89.4
69.03422	3.3
69.07070	20.2
71.04995	58.1
71.08633	3.0
71.61148	1.3
71.61545	1.6
77.03920	1.4
78.63811	1.2
79.05495	67.8
81.03430	3.8
81.07060	100.0
81.10567	1.0
81.43719	1.1
83.04980	11.5
83.08627	12.2
85.06543	8.1
87.04492	1.3
91.05483	61.0
93.07049	70.7
95.04968	11.1
95.08608	39.8
95.82442	1.2
97.06529	9.6
97.10162	3.9
99.08085	4.0
105.06367	2.4
105.07038	33.9
105.07756	1.6
107.08600	37.8
107.58151	1.3
108.78695	1.1
109.06499	4.5
109.10165	16.8
111.08083	5.1
113.09638	1.3
117.07015	11.9
119.08591	16.6
121.06522	1.4
121.10146	28.4
123.08045	3.3
123.11717	20.4
125.09647	3.9
129.07005	2.3
131.08572	15.3
133.10141	36.8
135.08095	1.4
135.11696	14.2
143.08577	1.7
145.10114	10.6
147.11685	7.6
149.13269	16.2
151.11191	15.5
157.10155	1.9
159.11719	12.3
161.13211	5.7
163.11261	1.9
169.12279	1.5
171.11691	1.1
173.13289	3.9
175.14832	1.4
177.12740	5.1
183.13820	17.5
187.13275	2.5
187.14862	2.4
195.13821	6.3
199.14822	1.8
201.14775	1.2
209.04234	1.3
213.14900	1.7
227.16449	1.7
261.22226	3.8
269.17532	2.3
275.19943	1.8
283.19095	2.0
285.16986	4.5
289.21408	1.3
293.21185	6.9
317.24899	1.7
335.26071	1.7
361.27356	2.7
363.25375	3.2
388.63297	1.2
402.24362	1.4
404.45282	1.4
437.34000	1.5
507.79791	1.3
517.38953	19.8
529.39001	7.5
543.37207	2.8
553.01556	1.2
561.24127	2.4
561.41797	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58061	2.8
55.05513	16.3
56.96573	3.0
57.03411	3.2
67.05505	19.8
67.67591	2.3
69.03429	6.4
69.07072	13.8
71.59415	3.7
73.70779	2.6
74.59584	2.3
79.05496	15.9
81.03418	8.9
81.07057	19.5
83.04999	3.1
83.08622	6.7
83.83153	2.6
85.02882	4.0
88.52734	3.0
91.05469	18.3
93.07015	12.3
95.04951	7.7
95.08566	6.2
97.02911	8.3
97.10174	9.3
105.07027	11.7
107.04988	6.6
107.08588	9.6
109.10163	10.4
117.07056	4.2
119.04976	5.6
119.08582	10.0
121.06483	4.2
121.10135	6.1
125.09624	9.3
127.03912	7.3
129.06947	4.6
131.08542	4.7
133.06537	3.3
135.08046	3.2
137.09494	2.8
143.08540	3.6
145.10153	5.9
147.04396	4.4
147.08101	3.8
155.85274	2.8
163.11192	3.3
173.13174	3.6
175.11163	4.4
185.67769	2.5
189.11081	3.9
193.12337	3.0
223.13306	13.7
227.12793	5.8
273.18457	10.6
285.17072	7.5
291.19534	100.0
352.27182	2.4
365.23215	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01863	12.2
55.05508	15.6
57.03441	8.4
61.02928	5.8
62.61449	3.6
66.66061	3.4
67.05506	54.4
69.03425	6.5
69.07066	17.0
69.64559	25.0
71.04984	6.0
73.02937	3.8
79.05495	29.1
81.03419	14.0
81.07059	54.0
83.04968	16.6
83.08614	10.1
85.02895	12.2
85.06532	5.2
91.05481	50.5
93.07048	35.9
93.68121	3.5
95.05003	18.0
95.08585	19.2
97.06518	6.6
97.10171	6.4
98.20673	4.1
99.04485	6.2
105.07032	41.5
106.35315	3.9
107.04953	9.7
107.08605	35.9
109.06525	8.0
109.10150	47.5
110.10524	3.5
111.08088	4.7
113.06006	5.3
117.07018	8.8
119.04955	5.4
119.08590	12.0
121.06513	7.0
121.10146	10.0
123.08024	7.6
123.11707	10.1
129.05428	3.5
129.06999	4.5
131.08565	15.8
133.06494	9.1
133.10143	68.9
135.08049	10.3
137.09573	5.6
143.08499	4.5
145.10115	8.0
146.12122	3.5
147.04411	10.3
147.11629	5.0
149.09621	9.0
151.11186	31.7
161.13200	4.7
169.12262	8.6
175.11197	5.5
177.09088	4.7
192.28809	3.9
199.11150	4.9
229.14302	3.7
253.14374	100.0
267.15686	4.0
270.00714	3.8
271.15405	16.2
273.18527	16.1
291.19647	16.6
347.22165	7.2
365.23184	84.8
372.36618	3.8
460.26376	4.0
477.28339	9.6
562.40680	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.9
55.05519	18.1
57.03435	6.5
66.39218	2.8
67.05516	19.1
69.03429	6.5
69.07069	20.2
69.35183	24.5
70.06595	2.7
74.11280	2.8
79.05506	22.2
81.03426	29.1
81.07057	25.1
83.04982	6.5
83.08606	10.5
83.89909	2.7
85.02876	9.8
91.05486	21.3
93.07050	18.4
95.04951	8.1
95.08585	9.0
97.02892	10.0
97.06536	2.9
97.10183	17.1
105.07046	14.0
107.04955	8.7
107.08610	13.7
109.06526	3.8
109.10175	8.0
111.08051	3.7
117.07032	6.3
119.04971	7.8
119.08586	13.1
121.06514	3.0
121.10220	4.1
123.08092	2.9
125.09628	7.9
129.07092	3.5
131.08556	8.6
133.10100	6.5
135.08058	3.0
145.10190	6.8
147.04372	8.4
147.08069	8.0
147.11665	5.8
149.13368	2.7
157.10138	5.4
175.11079	4.4
189.11118	5.0
193.12242	11.5
211.13274	5.6
223.13332	18.6
227.12704	4.3
245.08130	6.2
267.15979	20.7
273.18475	7.6
285.16843	13.2
291.16443	5.8
291.19547	79.2
347.22229	4.0
365.23264	100.0
383.24188	3.3
398.60071	2.9
459.27133	10.4
477.28464	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	562.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.0
55.01858	4.4
55.05508	17.0
55.45356	3.5
57.03433	13.8
64.12809	5.1
67.05505	27.4
69.03425	11.8
69.07075	28.8
69.35818	37.2
70.06583	5.9
73.56206	3.5
79.05487	21.1
81.03414	13.9
81.07047	28.4
81.34167	3.5
83.05034	4.1
83.08617	9.7
85.02919	9.0
85.06553	4.0
91.05480	24.5
93.07053	17.9
95.04958	9.6
95.08592	14.0
97.02908	3.9
97.10184	8.4
105.07029	14.6
107.04954	6.4
107.08601	10.1
109.06490	6.6
109.10145	10.6
111.08059	7.6
117.07051	11.6
119.07551	4.3
119.08588	16.8
121.10159	5.2
123.08055	5.2
125.09635	10.6
127.07561	4.8
128.09308	3.8
129.07027	7.2
131.08560	9.5
133.10133	6.6
134.37665	3.4
135.08051	6.1
137.09656	4.2
145.10115	4.4
147.04398	8.0
147.08115	6.3
147.11748	8.6
149.09511	4.1
157.10167	5.8
163.11122	5.8
175.11145	6.2
189.11328	7.2
193.12180	5.7
223.13365	8.4
227.12845	8.5
250.43069	4.0
273.18466	12.0
285.16968	7.4
291.19531	82.9
303.35791	4.7
347.22220	7.3
365.23267	100.0
381.56558	4.2
382.83139	4.1
396.15833	3.9
522.27032	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	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58051	5.1
53.03930	8.8
55.01871	9.5
55.05511	30.2
57.03432	15.4
62.08646	4.8
65.19336	4.4
67.05513	46.3
69.03434	15.1
69.07072	28.1
69.28709	52.8
70.06576	5.1
71.04951	5.3
78.58324	4.7
79.05509	40.7
81.03423	99.5
81.07061	44.4
83.04984	13.9
83.08623	27.7
85.02904	21.5
85.06562	6.9
91.05486	38.9
93.07034	31.4
95.04964	30.9
95.08630	17.6
96.08947	6.7
97.02911	9.6
97.06496	9.9
97.10175	15.1
98.21530	8.5
103.30434	6.2
105.07055	30.6
107.04958	16.9
107.08605	23.0
109.06531	6.6
109.10178	12.1
111.08084	14.6
117.07009	8.3
119.04987	6.1
119.08597	33.8
121.10149	17.4
123.08082	5.9
125.09658	8.5
129.07037	17.4
131.08563	19.9
133.06523	6.0
133.10121	14.8
135.08037	6.2
135.11711	4.8
137.09682	8.6
145.10158	8.0
147.04457	22.8
147.08066	12.6
147.11670	14.4
149.09596	7.8
157.10141	13.2
175.11166	10.6
193.12289	33.7
211.13356	21.2
212.14308	4.9
223.13315	13.4
227.12538	7.5
245.08081	8.9
249.14984	6.1
267.15939	100.0
267.18570	9.2
278.76941	5.1
285.16949	31.2
291.19531	72.6
307.26529	5.5
365.23233	70.4
367.22571	14.1
385.23764	14.5
433.25839	6.6
437.65790	5.5
459.27356	46.8
477.28583	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44339	0.2
53.03917	0.2
57.03445	0.2
67.05492	0.3
69.03417	0.3
70.65232	0.3
73.02953	0.2
79.05478	0.3
81.03409	0.4
81.07048	0.4
83.08569	0.2
84.08145	0.3
85.02898	0.4
85.06480	0.2
91.05474	0.9
93.07047	0.2
95.04958	0.2
95.08602	0.4
97.02908	0.2
97.06492	0.3
105.07013	0.2
107.04958	0.2
107.08595	0.3
109.02868	0.2
109.10184	0.2
119.04906	0.3
119.08522	0.2
127.03947	0.3
133.06522	0.2
135.04417	0.3
143.08524	0.2
145.10129	0.3
147.04417	1.4
153.01787	0.6
163.03908	0.5
165.52898	0.2
167.07042	0.5
173.37584	0.2
177.05472	0.3
181.05043	0.3
189.05545	0.2
203.03430	0.2
207.06461	0.3
245.08131	0.6
257.04465	23.7
272.06812	9.8
272.09247	0.2
273.07626	0.2
300.06281	2.4
315.08627	100.0
316.09070	0.9
399.14737	0.2
473.51511	0.2
477.13910	0.6
527.30945	0.2
531.16760	0.2
545.32489	0.2
545.41669	0.2
563.13385	1.8
563.27094	0.3
563.44037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1764
Annotation	Rhamnellaflavoside B
Peak:m/z	Relative Intensity
51.70623	0.5
55.01871	0.9
57.03442	0.7
58.03726	0.5
61.02903	1.2
65.03934	0.5
67.05505	0.7
68.99793	0.8
69.03111	0.7
69.03429	6.1
70.06546	0.6
70.85422	0.8
79.05462	1.1
81.03396	1.7
84.08127	0.8
85.02901	5.0
86.09709	0.5
87.04453	0.8
91.05473	1.3
93.03405	1.0
95.04953	0.8
97.02893	2.4
97.06578	0.5
103.05394	0.7
105.07055	0.6
107.04942	1.8
109.02866	1.3
111.04414	0.7
113.06059	0.5
119.04949	3.7
120.08093	1.4
121.02845	6.1
127.03928	1.1
129.10193	0.6
131.04893	0.8
137.02333	1.4
145.02864	7.7
147.04414	2.7
149.02271	0.6
151.03888	0.8
153.01814	0.7
159.05545	0.6
160.88686	0.5
161.02298	0.6
161.06015	0.6
163.03941	2.7
165.01849	13.7
165.05478	1.0
167.07030	3.2
173.06046	0.5
175.03897	2.3
177.05380	0.7
177.06680	0.6
179.03406	7.1
181.04910	0.9
183.02922	4.0
187.03899	1.3
189.01775	1.2
190.04942	0.5
191.03389	1.6
192.07898	0.5
193.04985	1.0
197.00826	0.5
197.04395	0.6
203.03412	2.0
205.04921	0.8
207.02863	0.7
207.06505	1.2
209.04468	0.9
221.04379	0.6
229.04974	3.7
247.07646	1.0
255.06604	1.1
265.08548	1.0
267.06503	1.6
269.08096	0.9
270.05243	1.4
271.06021	22.2
275.06915	0.7
279.06473	1.9
280.53015	0.5
281.08231	2.6
283.06021	100.0
284.06403	2.0
293.08109	7.1
295.06082	4.1
295.09610	1.3
297.04324	1.8
297.07578	51.3
298.07956	1.2
301.07071	0.7
303.06516	4.7
305.08047	1.2
307.05975	5.8
308.06772	1.9
309.07590	21.4
311.09149	14.4
319.09784	0.6
321.07590	58.1
322.08026	1.8
323.05374	1.0
323.09143	17.9
327.08624	19.4
337.10669	6.5
339.08627	29.3
340.08792	0.8
341.10278	0.7
347.09122	5.7
365.10220	35.0
366.10638	0.7
383.11258	82.2
383.27646	1.3
384.11652	2.0
401.12338	46.1
402.12405	0.8
491.11914	0.5
509.14294	0.6
545.16504	1.6
563.16803	1.0
563.33704	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	563.1767
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03953	1.2
54.84052	1.0
55.01875	1.4
57.03436	5.6
59.04987	1.2
60.02647	1.0
67.05511	1.0
69.03438	17.2
70.06606	1.4
70.93630	1.1
70.93980	2.9
71.04998	31.3
73.02904	1.2
79.05490	1.6
81.03441	1.9
81.07031	1.7
83.05006	1.0
85.02411	2.4
85.02910	35.2
85.03426	2.1
87.04443	1.0
89.03931	0.9
91.05470	1.6
93.07056	1.9
95.04979	1.2
95.08602	1.5
105.07010	2.2
107.04966	2.6
107.08569	1.3
109.02858	2.0
111.04426	2.8
115.05490	1.5
119.04936	4.3
119.08628	1.1
121.02882	13.3
121.10142	1.0
127.04013	1.6
129.05496	5.1
131.04910	1.4
133.06508	1.5
133.10110	2.7
134.43217	1.1
135.04390	1.8
145.02841	4.2
147.04424	1.9
147.06563	1.2
149.02338	1.5
153.01819	1.3
163.03922	5.6
165.01846	8.2
167.03409	1.7
167.07056	5.8
171.04385	1.4
173.36975	0.9
175.03897	2.0
177.01863	1.2
177.05482	2.9
181.05003	2.4
183.02943	2.6
187.04034	1.2
189.05412	1.6
191.03452	1.9
191.05295	1.1
195.02899	1.2
201.05603	1.3
203.03358	1.1
207.06494	2.7
217.04950	2.6
217.08479	1.3
227.03490	1.6
229.04915	2.3
243.06381	1.3
245.04433	1.6
267.06549	8.1
270.05173	5.0
271.05994	14.6
273.03986	3.3
281.08041	7.3
283.06021	58.4
284.06793	9.0
293.08224	1.7
294.05151	1.4
295.06088	15.6
297.04099	2.3
297.07593	7.4
299.05469	1.7
307.05969	1.6
307.09494	2.0
309.04001	2.7
309.07523	21.3
310.07678	1.1
311.05624	1.2
311.09213	3.1
313.07077	67.0
314.07568	1.6
317.08325	1.2
319.09702	2.7
321.07556	10.8
323.05481	2.1
335.05151	1.6
335.09140	22.0
337.07074	34.9
339.08606	3.1
345.07477	5.2
353.10284	1.4
355.07816	1.9
363.08649	64.6
381.09717	96.6
382.10135	1.4
399.10736	17.0
401.08578	5.5
417.11826	100.0
418.12076	1.8
563.33960	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	563.1758
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
55.05511	2.4
57.03435	5.9
61.02930	1.4
68.99768	1.3
69.03437	19.2
69.07067	1.8
70.06580	2.0
71.04996	32.6
71.60986	1.1
71.77164	1.3
72.08151	2.0
73.02916	1.5
76.38575	1.1
79.05506	1.8
81.03420	3.5
81.07066	2.6
83.04942	2.0
84.08125	1.2
85.02906	38.9
86.09700	1.6
87.04469	2.2
91.05467	4.5
93.07069	1.9
95.04965	1.6
95.08627	1.4
97.06541	1.7
99.04465	2.0
105.07050	2.9
107.04960	2.2
107.08575	2.0
109.02879	2.1
111.04485	2.1
117.03388	1.3
117.07003	1.7
119.04955	4.2
120.08102	1.3
121.02879	14.5
121.03735	1.8
123.11698	1.4
129.05452	3.7
131.04979	2.4
133.10092	1.3
135.04402	2.6
135.22586	1.3
137.05997	2.9
145.02852	7.9
145.06509	1.7
147.04402	3.7
149.02319	2.8
151.03902	2.4
161.06046	1.8
163.03905	11.6
165.01802	8.4
167.03375	3.0
167.07031	12.3
175.03911	3.7
177.01721	1.7
177.05507	4.8
179.07098	1.5
181.04968	4.2
183.02908	2.9
191.03427	3.4
192.07793	1.7
193.08540	1.8
201.05429	1.8
203.03317	2.0
207.06522	5.4
215.06998	2.4
217.04962	3.3
217.08612	2.9
229.04953	1.8
231.10172	1.5
235.12164	1.2
239.07011	1.8
245.04401	2.5
250.06316	1.5
267.06479	8.0
270.05231	5.2
271.05994	7.4
273.03931	2.7
279.06528	1.4
281.08139	14.5
283.06012	54.2
284.06796	9.2
294.05295	1.8
295.06061	12.3
297.04193	2.0
297.07516	8.5
307.06146	3.1
307.09665	3.7
309.07587	39.5
311.05667	1.8
311.09103	4.4
313.07089	73.4
319.09683	1.7
321.07611	8.6
335.09167	19.3
337.07062	76.3
338.07245	1.4
339.08752	3.0
345.07590	4.2
363.08627	50.4
381.09705	84.1
382.09775	1.6
383.15149	2.1
399.10745	25.3
417.11816	100.0
425.12192	1.5
439.41904	1.5
455.14771	1.3
545.16699	1.3
563.17236	2.2
563.24371	1.5
563.31726	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	563.176
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03934	3.3
55.01862	2.2
55.05512	4.2
57.03426	7.1
61.02919	2.7
65.03967	2.5
66.95685	1.7
67.05497	3.3
69.03438	25.7
69.07045	3.5
70.06590	5.7
71.04998	27.4
71.27184	2.3
71.27513	2.8
72.08144	2.6
79.05491	6.1
81.03430	4.7
81.07051	3.8
83.04974	4.1
83.11183	1.9
84.04478	2.1
85.02908	34.7
86.09691	4.0
89.03919	3.9
91.05489	10.7
93.07030	2.9
95.05006	2.4
95.08614	3.7
97.02885	2.9
97.06517	4.0
103.05464	3.2
105.07037	4.1
107.04960	5.7
109.02922	4.6
117.03373	5.6
117.07020	2.1
119.04933	13.2
119.08565	2.9
120.08078	2.3
121.02885	22.6
123.04464	4.7
127.03945	4.6
129.05481	4.3
131.04909	5.2
132.05681	3.8
133.06491	2.9
133.10146	3.0
135.04410	7.5
137.02400	2.0
137.05957	4.6
145.02882	16.1
145.06430	3.0
147.04384	11.0
149.06004	3.5
151.03848	2.7
160.07477	2.0
161.05980	4.0
163.03918	24.8
163.07524	2.6
165.00685	2.1
165.01840	11.7
167.03362	2.8
167.07045	23.1
175.03877	6.8
177.05472	12.2
177.40166	2.1
179.03386	5.3
181.04982	5.0
183.02959	4.3
187.03873	3.4
187.07477	3.0
189.01775	2.3
191.03377	4.6
191.07117	4.8
192.07832	8.9
195.02859	4.3
203.03464	3.0
207.06500	7.5
207.13889	3.2
217.08429	3.0
229.04924	5.1
230.31102	2.1
231.10143	3.5
233.09712	2.1
239.07147	2.5
241.04907	2.5
242.05434	2.2
247.09486	2.1
251.07039	2.5
255.06609	2.8
267.06592	13.1
269.04501	3.5
269.07928	2.2
270.05255	5.6
271.06061	11.9
281.08179	10.2
283.06027	100.0
284.06845	10.2
293.08057	5.5
294.05157	3.4
295.06070	19.5
295.09503	3.7
297.04001	6.0
297.07553	23.6
299.05496	5.7
303.06503	3.1
307.05984	12.1
307.09476	4.2
308.06888	5.4
309.03958	13.8
309.07578	36.2
311.09055	8.7
312.09372	2.4
313.07068	89.7
321.07571	42.4
322.08173	3.2
323.05713	3.4
323.09116	12.8
325.07101	6.4
327.05142	3.1
327.08621	12.6
335.05573	2.9
335.09183	18.5
337.07043	51.6
337.10593	5.4
339.04941	7.2
339.08624	18.4
345.07761	3.5
347.09015	3.1
349.06982	2.9
351.08627	3.1
353.10196	6.5
363.04947	3.0
363.08655	41.2
365.10233	21.4
371.11136	3.0
375.08759	3.5
379.08054	6.6
381.09726	84.1
383.11102	39.7
383.15073	5.5
395.11380	13.3
399.10638	26.0
401.12347	21.3
401.28418	2.5
405.09570	7.5
413.12054	3.7
416.15622	5.1
417.11786	73.8
423.11111	10.4
425.12360	9.7
441.12360	2.5
443.13351	2.3
447.10492	3.2
459.13205	2.5
465.12204	2.5
467.13437	4.9
473.12082	5.5
479.13467	3.0
483.13000	5.4
491.13309	7.6
497.14465	2.6
501.13879	4.1
509.14267	11.0
527.15613	14.9
545.16486	15.0
562.33435	9.3
562.40723	2.7
563.17596	16.0
563.33722	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	563.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41866	0.9
53.03933	2.8
55.01869	3.0
56.96567	1.1
57.03429	2.8
58.04643	1.0
61.02924	2.9
65.03957	1.9
69.03436	12.5
70.06578	2.9
70.83530	1.9
70.83896	1.0
71.04993	1.4
73.02922	1.3
78.04708	3.1
79.05496	8.1
81.03422	6.3
84.08131	1.7
85.02907	20.6
85.03412	1.1
87.04536	1.2
91.05482	4.5
95.04955	2.3
97.02895	8.6
98.97572	1.8
103.05478	1.5
105.07008	1.9
105.62428	1.0
106.04177	2.4
107.04958	13.9
109.02881	3.4
115.05469	2.2
116.06192	1.0
117.07031	1.2
119.04962	2.3
121.02922	1.6
121.06477	2.3
123.04433	7.0
124.05233	3.1
127.03935	3.9
128.06268	4.9
129.06993	3.1
131.08556	3.7
133.06482	1.8
135.04370	2.1
137.02325	2.3
137.05984	1.1
141.06992	4.6
143.00111	1.3
143.08542	3.4
144.05687	3.0
145.02896	1.7
145.04980	2.6
145.06438	1.9
146.06047	1.3
147.04407	1.9
148.05128	1.2
151.03920	1.9
152.04674	1.8
153.06906	1.4
156.05679	7.3
157.06429	2.6
158.07257	1.6
159.08047	6.0
161.06027	2.8
163.03928	1.3
167.07048	100.0
169.06445	1.4
170.07291	5.4
171.08029	4.4
172.05240	1.2
173.05994	1.9
177.05495	1.8
179.07027	2.1
181.04898	1.3
181.06473	1.3
181.08588	9.2
184.05203	2.8
185.06000	1.6
186.06749	2.0
187.07547	10.7
193.08553	2.1
198.06735	2.3
199.07561	6.4
199.40862	1.1
201.05478	1.9
202.06253	2.4
203.03410	2.6
205.06801	1.2
205.08586	5.5
207.06491	1.8
209.08031	1.8
215.06982	2.6
216.07829	1.6
217.08588	25.0
217.10593	1.4
219.08116	4.2
219.10078	1.3
220.08896	1.9
229.08606	4.0
231.08182	2.0
231.10173	30.0
235.07594	1.8
247.07463	3.4
247.09676	9.2
248.08330	2.9
261.09079	2.3
263.06961	1.4
263.10620	3.1
264.07886	2.2
265.08533	1.8
267.10397	1.1
271.09784	2.0
275.06927	1.2
276.07806	3.0
279.10196	2.0
291.06223	1.1
291.10129	3.3
293.08118	2.6
295.09680	1.3
307.06439	1.1
307.09683	3.9
308.10434	2.5
311.05518	4.1
313.07126	1.1
315.08499	1.2
319.09354	2.2
321.07681	1.7
321.11139	2.3
323.05588	2.6
323.12637	2.3
324.06232	1.3
325.07108	1.3
330.11096	1.5
331.11728	2.4
336.09631	1.7
337.06970	4.5
337.10797	4.3
338.07648	1.3
339.12326	1.4
341.06631	3.8
343.12112	1.3
351.08627	1.4
351.12265	6.1
353.06314	2.3
353.10141	2.2
353.13596	1.9
357.12958	1.4
365.06461	3.7
368.12448	3.0
369.13373	1.9
371.14801	1.2
377.06406	1.3
379.08041	1.7
383.14902	29.8
385.16473	12.4
391.07996	1.7
395.07660	4.7
401.16037	10.9
407.07602	1.7
413.08826	1.2
425.08585	3.0
443.09680	3.5
467.09595	1.7
485.10956	2.0
497.10919	2.4
509.10602	1.8
527.11664	4.3
545.12585	2.7
563.16266	2.5
563.27472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
61.02929	2.3
61.08314	1.1
63.79981	1.0
64.23583	1.3
69.03442	7.1
70.06778	5.2
73.02921	1.6
78.04720	4.2
79.05493	6.4
81.03422	4.8
81.07084	1.4
85.02904	15.1
91.05487	4.6
95.04983	3.3
96.07279	1.3
97.02911	6.4
98.21411	1.9
105.07016	1.5
106.04190	1.4
107.04967	12.2
109.02887	1.6
121.06519	2.1
123.04449	8.5
124.05217	3.7
125.33678	1.2
128.06226	5.2
129.07053	1.3
131.04951	1.3
131.08595	2.1
141.06996	3.5
143.08583	2.3
144.05725	1.9
145.06500	1.6
146.85039	1.2
151.03938	3.2
152.04695	2.5
153.05473	1.3
155.07071	2.5
156.05684	10.5
157.06529	3.6
158.07266	1.5
159.08084	4.8
167.07053	100.0
170.07263	5.3
170.10677	1.2
171.08037	4.6
173.06056	1.7
179.07114	2.3
181.08643	6.1
184.05202	2.1
187.07553	9.1
188.08331	1.4
193.08611	1.9
198.06686	1.4
199.07512	6.9
202.06250	3.0
205.04880	1.9
205.08647	4.6
215.06987	3.0
216.07822	3.2
217.08624	35.5
217.10638	2.6
219.08066	3.1
229.08626	2.2
231.08134	1.8
231.10175	25.0
233.09801	1.3
235.07451	1.4
247.07449	3.2
247.09708	6.8
248.08366	2.7
261.09146	2.4
262.09982	2.0
263.07175	1.9
263.10657	1.9
264.07813	2.6
265.08661	2.4
271.09607	1.5
276.07654	1.4
277.08588	2.4
278.09317	1.5
279.10049	2.1
290.09174	1.7
291.10190	3.4
293.07983	3.3
307.09613	3.5
308.10376	1.6
315.08752	2.2
321.11115	2.6
323.12915	2.7
330.10870	1.3
331.11880	2.4
337.10623	1.3
339.12375	2.6
351.12134	3.9
353.10052	2.8
353.13919	2.5
368.12534	2.3
371.14862	1.5
383.10187	1.7
383.14920	24.6
385.16501	15.8
401.15839	4.8
563.17181	10.5
563.24945	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	563.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
61.02929	2.3
61.08314	1.1
63.79981	1.0
64.23583	1.3
69.03442	7.1
70.06778	5.2
73.02921	1.6
78.04720	4.2
79.05493	6.4
81.03422	4.8
81.07084	1.4
85.02904	15.1
91.05487	4.6
95.04983	3.3
96.07279	1.3
97.02911	6.4
98.21411	1.9
105.07016	1.5
106.04190	1.4
107.04967	12.2
109.02887	1.6
121.06519	2.1
123.04449	8.5
124.05217	3.7
125.33678	1.2
128.06226	5.2
129.07053	1.3
131.04951	1.3
131.08595	2.1
141.06996	3.5
143.08583	2.3
144.05725	1.9
145.06500	1.6
146.85039	1.2
151.03938	3.2
152.04695	2.5
153.05473	1.3
155.07071	2.5
156.05684	10.5
157.06529	3.6
158.07266	1.5
159.08084	4.8
167.07053	100.0
170.07263	5.3
170.10677	1.2
171.08037	4.6
173.06056	1.7
179.07114	2.3
181.08643	6.1
184.05202	2.1
187.07553	9.1
188.08331	1.4
193.08611	1.9
198.06686	1.4
199.07512	6.9
202.06250	3.0
205.04880	1.9
205.08647	4.6
215.06987	3.0
216.07822	3.2
217.08624	35.5
217.10638	2.6
219.08066	3.1
229.08626	2.2
231.08134	1.8
231.10175	25.0
233.09801	1.3
235.07451	1.4
247.07449	3.2
247.09708	6.8
248.08366	2.7
261.09146	2.4
262.09982	2.0
263.07175	1.9
263.10657	1.9
264.07813	2.6
265.08661	2.4
271.09607	1.5
276.07654	1.4
277.08588	2.4
278.09317	1.5
279.10049	2.1
290.09174	1.7
291.10190	3.4
293.07983	3.3
307.09613	3.5
308.10376	1.6
315.08752	2.2
321.11115	2.6
323.12915	2.7
330.10870	1.3
331.11880	2.4
337.10623	1.3
339.12375	2.6
351.12134	3.9
353.10052	2.8
353.13919	2.5
368.12534	2.3
371.14862	1.5
383.10187	1.7
383.14920	24.6
385.16501	15.8
401.15839	4.8
563.17181	10.5
563.24945	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	563.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.89066	1.8
57.03421	2.8
59.32064	1.7
61.02922	2.4
67.15553	2.0
69.03432	9.7
70.06581	5.2
70.79367	1.6
71.01336	1.7
71.60040	3.6
72.08164	2.4
73.02885	2.0
78.04707	3.1
79.05490	8.4
81.03408	4.2
81.07065	2.0
83.04971	1.9
85.02912	10.7
86.09670	2.1
91.05472	5.5
95.04945	3.1
97.02882	5.2
103.05492	9.8
105.07040	38.5
106.04203	2.3
107.04961	12.0
115.05437	8.4
117.07041	2.0
119.04980	2.3
121.06469	3.7
123.04420	9.4
127.03898	4.3
128.06194	3.4
131.04958	4.3
133.06494	31.1
137.06009	2.1
141.06931	3.2
143.06067	2.3
143.08514	3.2
145.04961	2.8
145.06544	3.6
148.05212	2.6
149.05945	4.3
155.07027	4.0
156.05743	9.6
157.06520	4.2
160.05154	2.2
161.05995	35.0
163.07562	3.2
167.07054	100.0
170.07310	4.3
171.08034	8.0
173.06001	4.4
177.05475	5.7
178.06334	2.1
179.07091	5.0
181.04941	7.2
181.08603	8.6
184.05214	3.0
187.07497	4.7
191.07024	17.0
193.08617	95.3
199.07567	4.5
201.09116	2.0
202.06204	3.5
205.08626	8.1
207.06552	3.0
209.08087	3.1
215.07018	4.5
217.08612	29.0
219.10150	2.2
231.10120	23.7
247.07460	2.3
247.09662	4.3
263.07013	2.3
265.08292	2.4
276.63019	1.8
279.10239	3.0
279.55145	2.2
287.98206	1.8
293.08023	3.0
307.09409	2.6
315.08624	2.0
321.07800	2.4
330.11035	2.0
351.12241	2.7
371.14813	3.2
383.15009	15.1
385.16559	14.5
401.15976	2.6
401.27963	2.2
509.41388	2.4
563.19537	3.2
563.33990	4.1
574.94220	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.8
53.61177	1.8
55.01871	17.0
55.05513	24.6
57.03439	14.8
57.07059	6.8
61.02914	5.1
65.03939	3.9
67.05508	85.1
69.03438	33.6
69.07069	29.7
70.08804	8.5
71.04989	9.3
71.08619	3.1
73.02919	29.5
75.04488	2.2
77.19559	1.6
79.05052	2.6
79.05495	39.6
81.03427	29.4
81.07061	100.0
83.04985	12.4
83.08636	21.5
85.02911	23.8
85.06539	3.4
91.04970	2.2
91.05487	35.0
93.07043	45.8
95.04961	7.8
95.08611	67.4
97.02898	13.9
97.06522	8.0
97.10185	13.6
99.04452	15.2
99.08110	3.7
101.06022	1.7
103.03922	3.2
105.07044	27.2
107.08612	26.9
109.02885	42.4
109.06529	3.7
109.10157	36.8
110.03635	6.6
111.04454	41.5
111.08084	6.8
111.11700	4.3
117.07003	7.9
119.08584	23.3
121.10151	26.6
123.08109	2.4
123.11715	17.3
125.09618	5.9
127.03908	22.0
129.06973	6.0
131.08557	11.3
132.99542	14.8
133.10139	17.7
133.23204	1.7
135.08018	3.1
135.11690	17.3
137.09572	3.0
137.13234	7.1
139.11160	2.4
143.08530	4.2
145.10158	10.4
147.11658	17.7
149.13268	7.9
151.00629	4.5
151.11176	2.7
155.00017	1.7
157.10136	2.7
159.11694	7.2
161.13304	9.0
163.11172	4.0
163.14836	8.8
165.12781	3.2
165.16336	1.9
171.11726	3.3
172.99054	3.7
173.13228	3.9
175.11189	3.1
175.14819	11.6
177.16571	2.1
179.17844	2.1
181.01500	1.8
185.13301	2.6
187.14896	2.5
189.16397	4.9
191.00099	22.3
201.16405	2.0
208.31798	2.1
209.01169	6.3
227.12659	2.3
245.22650	17.2
261.22180	4.4
263.23709	32.6
265.03928	2.8
267.16049	3.0
285.16983	2.3
289.21683	2.1
305.24622	2.5
335.25699	5.2
337.27393	26.0
342.63910	2.4
373.27637	2.5
417.31775	2.5
435.32693	3.4
453.33810	2.5
471.34308	3.0
525.35156	1.9
527.36847	5.6
545.38580	18.0
563.28638	50.7
563.38556	21.5
564.29205	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78112	2.4
53.03937	8.2
54.56876	2.7
55.01860	8.7
55.05302	3.1
55.05513	39.8
57.03438	17.4
57.07053	5.3
65.03932	8.0
65.54114	2.4
67.05167	5.4
67.05505	90.6
69.03418	5.6
69.06722	2.5
69.07076	39.3
69.75314	3.0
71.04974	9.8
71.51528	2.5
71.61515	4.0
73.02902	6.8
79.05056	3.4
79.05499	71.6
81.03427	16.2
81.07058	100.0
81.32341	2.8
83.04963	11.8
83.08615	29.7
85.02903	4.9
85.06537	7.1
91.05489	56.1
93.07043	76.2
95.04965	11.9
95.08033	5.4
95.08609	73.5
97.06522	12.4
97.10168	17.8
99.08064	4.3
105.07037	54.1
106.14594	3.0
107.04921	3.4
107.07938	4.4
107.08600	47.3
109.02851	8.9
109.06524	7.1
109.10164	36.1
111.04448	7.1
111.08047	7.2
111.11665	3.7
117.07024	14.5
119.08573	49.6
121.06529	3.5
121.10133	38.3
122.10484	3.1
123.08079	7.2
123.11686	7.8
125.09617	12.5
126.46334	3.2
127.03913	6.2
129.06998	6.3
130.07748	3.1
131.08571	28.9
132.42467	3.0
133.10152	25.8
134.55670	2.7
135.08041	5.6
135.11685	21.3
137.09680	5.7
137.13222	6.4
139.11166	10.2
143.08586	14.7
145.10114	24.0
147.08069	4.5
147.11694	19.9
149.09583	10.0
149.13254	10.5
151.11142	5.3
155.08612	4.2
157.10170	13.9
159.11679	18.0
161.13271	12.3
163.11201	6.0
163.14857	5.6
165.12697	2.9
169.10139	9.0
171.11673	14.6
173.13260	15.6
175.14870	7.5
177.12726	3.7
183.11639	6.2
185.11717	3.3
185.13231	7.0
187.14836	5.5
189.11246	6.9
189.16318	4.8
193.12161	5.3
195.13742	3.5
197.13289	6.8
199.14827	6.3
203.12730	4.6
209.13145	3.3
213.16414	3.9
215.14320	3.1
223.14941	3.8
227.12787	10.7
229.14317	3.4
239.16287	3.1
241.14235	4.9
241.19577	3.6
259.15366	3.5
259.20514	4.1
261.22110	5.6
263.23672	6.3
267.15881	12.4
269.17474	4.1
269.22372	3.3
287.23581	6.4
288.24179	3.5
289.21677	7.2
291.23102	4.4
299.23828	4.4
301.25171	9.9
303.23276	3.5
317.24704	3.1
333.24191	4.0
335.25812	9.1
337.27393	4.7
363.25284	8.4
373.27362	3.4
435.32532	9.2
438.48123	3.6
447.30814	3.7
453.33670	18.4
462.82166	3.5
471.34836	14.9
489.35623	5.3
524.12305	3.0
527.37238	37.8
545.38434	56.1
546.39014	3.6
563.39679	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.1
55.01877	13.1
55.05514	40.5
55.53564	2.7
57.03440	14.0
57.07063	6.8
63.73986	2.5
65.03930	3.3
67.05506	90.3
68.07569	2.1
69.03431	14.5
69.07071	35.4
70.71203	4.9
70.71594	4.8
71.04976	8.4
71.08611	2.5
71.92379	2.2
73.02927	11.2
79.05498	63.2
81.03425	18.2
81.07060	100.0
82.07378	2.7
83.04960	11.1
83.08616	24.8
85.02895	7.2
85.06515	7.6
91.04961	3.2
91.05490	52.3
93.07049	70.4
95.04946	8.6
95.08615	75.3
95.09224	4.6
96.11534	2.1
97.02870	3.7
97.06522	10.2
97.10168	16.8
99.04469	4.9
99.08090	2.8
105.07039	48.3
107.04942	5.6
107.08603	39.5
109.02891	11.6
109.06500	4.5
109.10161	29.0
111.04454	15.4
111.08105	6.9
117.07029	16.5
119.08575	42.0
121.06503	3.3
121.10149	35.4
122.10463	2.5
123.08054	7.8
123.11725	12.4
125.09631	10.7
125.29923	2.7
127.03920	4.5
129.06987	10.4
131.08574	28.9
132.99547	5.7
133.06529	3.6
133.10149	26.1
135.08014	4.7
135.11687	17.8
136.12009	3.0
137.09673	4.3
137.13272	3.5
139.11189	9.0
143.08557	9.5
145.10120	21.2
147.08005	3.5
147.11708	22.1
149.09621	5.1
149.13280	11.3
151.11168	2.9
155.08604	5.8
157.10126	9.8
159.11694	16.8
161.09668	3.3
161.13211	15.2
163.11171	12.1
163.14816	7.5
165.12689	3.7
169.10136	4.8
171.11710	8.8
173.11888	2.7
173.13219	11.7
175.11020	2.3
175.14807	7.6
179.14160	3.5
181.10194	3.2
183.11736	7.3
185.13219	6.2
187.14784	3.8
189.11255	5.5
191.00107	8.1
193.12151	3.8
195.11662	3.3
195.13821	3.1
197.13109	4.4
199.14888	4.4
201.16371	3.2
203.12747	5.3
209.11517	3.0
214.28114	2.5
221.13289	2.4
227.12750	14.8
235.17020	2.7
241.14275	5.0
245.22656	6.1
259.20425	4.8
261.22064	8.2
263.23676	14.1
263.29550	2.8
267.15894	9.2
273.22043	2.7
277.21637	3.1
283.15314	3.1
287.18320	3.6
287.23520	6.1
289.21661	5.9
301.21732	2.4
301.25226	6.8
305.24982	3.6
317.24686	4.7
335.25748	8.9
337.27496	12.3
343.26135	3.8
351.25281	3.0
361.27414	3.5
363.25580	5.5
397.09564	2.3
415.00525	2.5
430.29730	2.7
435.32535	10.4
448.83588	2.6
453.33585	14.6
471.34637	12.0
509.36145	2.5
527.37305	27.9
533.00708	2.8
545.31763	2.6
545.38470	39.2
563.28680	12.7
563.38684	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
54.51412	3.9
55.01863	11.9
55.05512	20.5
57.03426	16.4
61.02922	6.1
67.05509	61.7
69.03416	12.1
69.07079	38.2
69.30783	9.6
69.31187	30.0
70.79146	3.5
71.04988	6.5
71.28090	3.7
79.05513	49.4
81.03403	18.0
81.07068	83.0
83.04974	14.7
83.08619	15.4
84.08139	4.7
85.02903	13.1
85.06543	4.5
91.05488	36.5
93.07052	56.4
95.04967	10.9
95.08607	36.4
96.37791	3.5
97.02898	9.7
97.06514	32.1
97.10184	8.0
99.04435	3.9
103.03934	4.7
105.07036	33.5
107.04953	11.6
107.08610	37.1
109.02893	6.8
109.06517	8.6
109.10155	15.2
111.08120	7.4
114.25237	3.7
117.07044	19.2
119.08587	26.8
121.06523	4.8
121.10120	13.1
123.08074	4.3
125.09688	8.4
127.03942	7.1
129.07019	8.2
131.08592	20.6
133.10149	27.8
135.11707	21.2
137.06035	3.9
137.09662	4.9
143.08559	3.8
145.10127	16.0
147.04417	6.1
147.11688	10.6
149.02364	5.9
149.09636	11.4
149.13243	22.3
150.02682	3.4
151.11166	4.4
159.11708	27.1
161.13300	6.0
163.11276	7.4
173.13298	9.0
177.12784	23.1
179.14340	8.6
189.11122	6.6
195.13737	8.4
203.45352	4.2
229.14337	5.3
247.20499	4.4
255.15968	49.7
257.19037	13.5
269.17505	100.0
275.20126	47.4
299.00995	4.9
349.23785	71.6
355.15320	7.1
356.09888	4.4
367.24915	20.1
399.89810	4.5
479.18658	6.9
521.19745	23.0
565.19073	30.0
565.26703	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66277	3.7
53.03931	4.3
55.01857	7.6
55.05507	15.6
57.03424	7.0
57.07074	4.9
67.05511	24.6
69.03428	4.4
69.07056	14.5
69.31545	37.0
70.06596	6.0
71.04975	5.6
79.05496	26.8
81.03395	10.2
81.07063	62.3
81.11462	3.5
83.04967	4.4
83.08611	15.2
85.02882	6.8
91.05491	22.9
93.07063	23.7
95.04971	13.1
95.08632	19.6
97.02898	8.5
97.06573	7.4
98.21493	7.1
105.07019	24.6
106.19254	3.7
107.04962	9.3
107.08582	18.3
109.06525	22.1
109.10149	9.5
111.08088	5.6
117.07080	6.6
119.04932	7.6
119.08598	22.4
121.06505	6.9
121.10149	14.3
121.17272	3.9
123.08064	7.6
123.11726	5.7
127.82967	3.3
131.08559	13.5
133.10112	13.1
134.22894	3.4
135.08025	7.0
135.11661	6.0
143.08348	4.4
145.10094	10.7
147.04367	13.6
147.11700	11.0
149.09572	5.6
151.11143	4.0
157.10107	4.5
159.11711	3.4
163.11195	5.8
167.06874	5.6
175.11185	7.3
193.12372	4.0
194.96547	3.8
257.18924	5.3
275.20102	60.6
291.06012	3.5
293.21091	10.5
349.23801	100.0
355.14865	5.7
367.24875	70.7
419.24072	4.5
431.10150	3.9
437.25235	7.0
529.45551	4.9
564.31714	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	564.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07156	6.1
52.26628	6.7
52.46335	6.7
54.91442	5.8
55.05507	24.5
57.03425	21.3
59.78273	7.3
65.03930	7.1
67.05503	75.9
69.07065	25.1
71.61519	8.4
79.05502	55.2
81.07063	100.0
83.08619	19.5
91.05508	41.2
93.07043	71.1
95.08618	48.6
98.71655	6.4
105.07037	42.0
107.08582	55.2
109.10155	22.0
117.06967	10.2
119.08599	36.3
121.06496	9.7
121.10162	40.6
123.11724	12.8
131.08560	26.2
133.06500	11.4
133.10124	23.7
135.08086	10.8
135.11659	12.6
137.09668	9.9
143.08549	16.1
145.10083	15.2
147.11652	13.8
149.13252	30.0
157.10129	14.8
159.11696	20.3
161.13234	8.3
169.10149	10.5
171.11673	8.9
175.11264	14.2
177.12762	52.0
195.13855	13.7
213.16566	7.6
217.76418	7.3
219.13864	36.5
219.35716	6.9
246.14183	7.8
261.22159	7.8
269.17535	65.5
327.19577	16.2
333.72595	7.6
335.25836	69.8
347.24020	9.5
529.38983	82.2
560.40515	8.4
564.39398	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	565.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
60.79402	2.4
61.02918	3.4
69.28163	10.1
69.28589	12.6
73.02898	2.4
81.03421	3.0
81.07011	3.4
84.08139	3.2
85.02914	5.9
91.05466	5.5
93.69164	2.2
107.04974	6.7
117.37717	2.1
119.04953	14.5
121.02871	47.3
121.03878	2.7
126.00845	2.7
135.04390	2.9
145.02826	8.5
147.04448	3.2
159.36501	2.6
163.03896	4.8
167.07066	4.2
168.07372	2.6
177.01854	6.8
177.05394	3.1
179.03377	2.5
189.01816	16.8
191.03461	4.6
195.02916	9.6
199.03906	5.0
201.05495	4.1
203.03415	16.8
207.02832	7.5
207.06587	5.0
209.08130	6.7
215.03419	9.8
217.04985	5.3
219.02881	7.6
221.04443	3.0
227.03397	4.5
231.03036	2.6
233.04321	3.0
243.02809	3.6
245.04529	3.5
255.03122	3.7
267.06488	3.9
268.07385	6.4
279.06564	7.4
280.07370	3.5
281.08105	3.6
283.06036	8.9
284.07028	2.6
291.06512	3.5
292.07181	3.4
293.08142	4.6
294.05222	23.0
295.06027	97.6
295.09286	3.4
296.06711	11.1
297.07602	9.8
305.08130	4.4
307.06024	65.4
307.09521	4.7
308.06754	21.4
309.07596	27.3
313.06931	4.4
317.08047	6.1
318.08749	2.9
319.06076	9.8
320.06866	6.8
321.04272	1.8
321.07614	46.2
322.08316	10.5
323.05548	5.7
323.08746	4.8
325.07062	82.2
333.07578	27.5
334.08380	6.7
335.05634	3.3
335.09186	21.6
336.06360	7.4
337.07062	71.6
339.08627	4.7
345.07574	10.5
347.09177	11.9
349.03003	3.7
349.07068	50.9
349.10907	3.3
351.08517	21.2
355.08197	13.1
359.09021	4.4
361.07001	33.2
362.07983	2.6
363.08566	19.8
365.09979	4.5
367.08182	9.8
373.07047	9.2
375.08545	12.8
377.10248	4.4
379.08139	100.0
385.08127	2.4
387.08633	6.4
391.08151	52.8
397.09146	35.7
401.10446	6.4
403.08075	17.2
405.09860	5.6
409.09189	73.1
415.10327	13.6
417.09708	3.1
421.09271	14.1
427.10287	72.2
429.09689	3.2
433.09290	20.9
439.10092	12.3
445.11166	22.7
451.10229	22.5
457.11407	28.7
463.10193	6.6
469.11420	29.3
475.10123	13.8
481.11395	31.3
493.11356	26.5
499.12302	21.1
511.12366	60.1
529.13538	39.3
547.14465	18.6
565.17566	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	565.1554
Annotation	Corymboside
Peak:m/z	Relative Intensity
55.01870	5.9
57.03428	3.8
57.13758	2.0
61.02930	4.8
70.90991	4.1
70.91331	4.3
85.02914	5.4
93.03396	2.4
107.04996	4.2
119.04941	13.7
121.02861	46.4
145.02840	6.3
159.04518	2.2
161.02426	3.5
163.03894	3.6
175.03896	2.7
177.01805	4.3
179.03398	3.5
187.03969	3.6
189.01854	14.1
191.03406	7.6
195.02846	5.4
201.01817	4.6
203.03389	20.5
207.02971	10.9
211.03883	2.5
215.03432	8.9
217.05029	3.8
219.02881	7.7
221.04584	3.6
227.03452	4.6
229.05034	4.3
233.04530	5.3
239.03334	4.0
243.02742	3.2
255.03134	3.4
257.04474	4.3
267.02646	2.9
268.07339	7.9
279.06580	5.2
280.07245	3.3
281.08124	6.5
283.06018	10.5
284.06631	3.7
291.06720	2.9
294.05295	23.4
295.06036	100.0
296.06766	7.7
297.07642	10.4
307.06030	70.3
307.09515	5.2
308.06784	16.3
309.07620	25.4
313.07120	7.6
317.08017	3.0
319.05966	11.8
320.06735	6.3
321.07611	45.4
322.08362	11.4
323.05884	2.9
323.09030	10.5
325.07062	96.6
326.07349	2.5
333.07602	26.4
334.08450	3.9
335.05518	5.1
335.09158	15.8
336.06213	4.3
337.07074	69.4
337.11075	4.8
345.07492	3.9
346.08209	3.1
347.09222	15.4
349.07053	48.0
349.10867	1.8
351.08606	30.0
355.08047	11.2
357.07727	3.7
359.08902	2.7
361.07050	23.7
363.08673	9.5
365.10083	8.4
367.08047	11.7
373.07175	8.8
375.08627	11.3
379.08151	98.3
380.08508	3.3
385.07172	4.4
387.08640	5.9
389.10361	4.2
391.08124	28.1
397.09232	66.4
399.08685	2.9
401.10226	3.7
403.08099	28.9
405.09656	8.7
409.09158	48.3
415.10413	20.8
417.09607	4.5
419.11224	3.1
421.09259	21.4
427.10355	31.8
433.09308	17.1
439.10263	23.0
445.11322	33.3
451.10266	34.5
457.11319	45.9
463.10159	6.0
469.11301	52.5
475.10190	11.2
481.11349	34.7
493.11368	35.4
499.12302	26.7
511.12335	45.4
529.13428	52.8
547.14435	21.6
565.16138	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1556
Annotation	CHEBI:70201
Peak:m/z	Relative Intensity
53.03965	1.2
55.01866	3.0
57.03444	6.5
57.35163	1.1
59.05000	1.1
67.05496	1.6
68.99818	2.1
69.03416	1.8
69.27393	3.1
69.27814	6.7
70.06591	1.8
71.04999	35.3
73.02911	1.8
75.04469	2.3
81.03408	2.4
81.07051	1.4
85.02417	2.2
85.02913	36.3
90.95124	1.0
91.05478	4.7
95.04951	1.0
107.04942	2.5
109.02870	1.7
111.04453	1.8
119.04950	3.8
121.02892	6.5
121.22064	1.1
129.05482	5.0
133.36465	1.0
135.04414	2.0
137.02341	7.2
137.05975	2.4
137.60385	1.1
145.02834	1.7
147.04420	3.6
161.02356	4.3
163.03923	4.2
165.01862	9.8
166.79549	1.1
167.03412	2.3
167.07039	3.4
175.03940	4.5
175.07597	1.9
177.01935	1.1
177.05501	2.8
179.03375	3.8
181.04987	3.3
183.02858	2.0
191.03426	1.6
195.02859	2.1
203.03381	4.2
207.02885	1.7
207.06541	8.5
231.02905	2.7
231.06511	1.5
249.07565	3.2
255.06636	1.3
271.05963	1.3
283.06039	14.1
286.04758	1.8
286.47183	1.1
287.05505	7.8
289.03537	1.5
294.05331	1.5
295.06058	7.9
296.06702	1.2
297.07608	14.5
299.05511	81.1
300.06308	7.6
305.08240	1.5
307.06113	5.3
309.07452	5.3
311.05533	13.8
313.03513	2.0
313.07010	16.0
319.05945	1.4
321.07639	5.2
323.05493	5.0
323.09082	1.6
324.06433	1.5
325.03406	2.6
325.07080	38.2
326.07251	1.5
327.08633	3.6
329.06570	54.3
333.07645	2.8
337.07083	45.0
338.07397	1.4
341.06622	8.5
349.07166	3.5
351.08609	1.8
353.06561	69.1
354.06680	1.4
355.08054	3.3
361.06927	3.1
365.06598	39.2
366.07098	1.2
367.08173	2.2
373.07068	2.2
377.06781	1.3
379.08038	3.5
383.07629	90.0
384.08267	1.7
391.08118	6.2
401.03598	2.3
401.08688	33.5
403.07993	1.5
409.09366	8.4
415.10196	1.7
419.09756	100.0
420.10159	2.1
427.10342	2.3
433.11139	1.8
439.10095	2.2
463.10260	1.4
475.10556	2.0
481.11096	4.0
493.11395	5.6
511.12512	9.3
529.13300	4.9
565.16125	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03947	2.6
55.05514	6.3
57.07058	4.2
58.45885	1.3
59.04997	1.6
59.13782	1.1
65.03931	2.0
67.05505	14.9
69.03422	3.5
69.07073	8.0
69.22848	13.8
79.05489	13.9
80.16834	1.2
81.03416	1.3
81.07058	18.0
83.05003	3.0
83.08611	5.0
85.06543	2.8
91.05478	25.4
93.07047	26.6
95.04980	6.4
95.08597	18.0
97.06534	4.0
97.10159	1.4
98.20721	3.0
103.05454	2.0
105.07030	38.3
107.08600	25.1
109.06527	4.2
109.10159	13.7
115.05470	2.2
116.06259	1.3
117.07005	8.1
117.07717	1.3
119.08581	48.7
121.06536	2.3
121.10142	30.6
123.08083	5.5
123.11679	5.9
125.06042	1.7
125.09604	1.6
128.06195	6.9
129.06987	7.6
130.07800	3.4
131.08568	15.2
133.06529	2.5
133.07568	1.8
133.10127	27.1
135.08054	5.1
135.11688	11.4
137.09624	4.9
141.07002	4.2
142.07777	11.8
143.08560	26.7
144.09348	4.1
145.10121	33.4
147.08022	4.3
147.11711	9.3
149.09621	5.4
151.07584	2.2
153.07002	1.9
155.08548	7.7
156.09328	10.6
157.10124	29.4
158.10913	4.3
159.08026	2.3
159.11671	18.7
161.09610	1.5
161.13261	4.9
163.11217	3.4
165.07001	5.2
165.09145	7.9
166.07802	1.7
167.08578	7.5
167.10680	12.4
168.09407	3.5
169.10133	20.0
170.10928	3.7
171.11699	20.3
173.09697	1.6
173.13266	16.4
175.11287	2.7
175.14906	5.4
179.08546	8.8
179.14311	1.4
180.09344	2.8
181.10152	10.2
181.12244	2.6
182.10895	7.9
183.11726	14.3
184.12411	1.6
185.13240	12.8
187.14813	5.8
189.12794	1.8
191.14267	1.5
192.09387	3.6
193.10147	9.8
194.10928	6.1
195.11710	16.6
196.12509	4.3
197.09564	1.5
197.13263	13.8
198.14095	1.5
199.14786	7.8
201.12711	1.9
201.16432	4.8
203.14409	3.6
205.10173	2.9
206.11000	5.1
207.11737	13.0
207.13612	2.0
208.12538	5.5
209.13263	17.6
210.14041	2.5
211.14787	10.1
213.16437	2.9
215.14389	3.2
217.10234	1.5
218.03529	1.3
218.11029	2.9
219.11711	5.4
220.12457	3.4
221.13286	9.2
221.15405	14.8
222.13968	2.9
223.14790	9.4
225.12935	1.5
225.16376	5.8
231.11719	5.2
232.12445	3.0
233.13403	6.1
233.15329	6.3
234.14023	4.4
235.14786	7.9
236.15594	2.6
237.16383	5.9
239.17970	4.2
243.11784	3.3
244.12590	1.8
245.13287	5.6
246.14050	2.8
247.14755	5.7
249.16408	4.0
251.17979	5.9
253.19432	3.5
255.17505	1.5
257.13245	2.7
258.14047	2.6
259.14868	4.7
260.15570	1.8
261.16498	3.5
262.17307	2.2
262.94714	1.3
263.17947	6.6
265.19489	4.7
267.21078	1.9
269.18979	1.8
271.14871	3.0
273.16473	4.1
275.18011	4.8
277.19467	2.8
279.21109	2.7
281.19086	2.8
283.14777	2.1
283.20712	2.1
285.16275	1.7
287.17673	1.9
289.19595	4.2
291.20996	2.8
293.19003	1.5
295.20490	1.8
299.17636	2.1
301.19672	1.7
307.20688	1.7
315.21100	2.1
317.22559	2.4
329.22501	2.3
331.24237	3.1
341.22406	1.6
343.04691	1.2
343.24362	2.2
345.25891	1.7
347.23776	2.4
349.25311	1.4
357.25848	5.4
361.25363	1.5
365.24600	2.5
417.27499	1.3
425.28149	1.6
443.29868	1.7
473.34262	5.2
491.32855	1.7
509.34225	1.3
528.66650	1.4
536.90851	1.3
547.39404	15.8
565.40411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
54.53202	4.4
55.05508	14.6
57.07078	10.0
62.59798	4.5
66.30539	4.6
67.05505	21.5
69.07067	16.4
71.00144	4.5
71.20856	10.6
71.21210	6.1
79.05502	31.4
80.50771	4.5
81.07057	27.1
83.08607	5.3
91.05479	59.4
92.46379	5.2
93.07052	43.2
95.04971	9.2
95.08608	26.0
103.05461	4.7
105.07046	80.0
107.04926	9.1
107.08597	39.6
109.10168	22.6
115.05452	9.5
117.07020	34.5
119.08589	100.0
119.23574	5.0
120.23418	4.8
121.06540	11.4
121.10138	34.2
123.08080	11.5
128.06206	16.8
129.07016	24.6
130.07779	10.0
131.08569	62.0
132.09409	11.3
133.10141	67.0
135.08113	10.5
135.11707	20.5
137.09641	26.1
141.07002	7.9
142.07776	26.9
143.08562	48.1
144.09312	10.5
145.10158	67.4
146.10548	6.7
147.08080	9.0
147.11713	15.4
149.09610	10.7
151.11185	9.4
153.06953	6.7
155.08540	22.9
156.09340	26.9
157.10135	59.8
158.10956	9.8
159.08064	83.7
159.11671	37.6
161.09622	10.1
161.13237	5.6
163.11221	7.0
165.06984	8.1
167.08560	10.2
168.09402	8.5
169.10181	31.4
170.10873	10.9
171.11699	33.4
172.12563	6.4
173.13286	39.9
175.11191	7.8
175.14824	13.1
179.08572	20.1
180.09337	7.9
181.10132	25.6
182.10986	9.0
183.11705	27.4
184.12495	10.0
185.13272	9.0
187.14783	8.4
189.12656	7.8
191.14264	10.0
192.09331	6.5
193.10089	17.0
194.10915	12.9
195.11719	24.1
196.12526	9.9
197.09717	8.3
197.13246	28.5
199.11171	5.3
199.14859	17.1
201.12752	8.6
201.16443	8.9
203.14250	6.6
206.10945	7.6
207.11659	15.4
208.12410	5.4
209.13300	37.6
211.14900	12.1
217.15933	14.0
220.12553	7.3
221.13269	15.8
222.13977	6.5
223.14839	17.0
225.12727	8.1
225.16371	5.9
233.13316	7.2
235.14876	6.8
237.16411	8.3
239.18092	5.2
245.13290	6.8
249.16327	5.0
251.17883	6.1
261.16373	6.8
263.18042	6.8
265.15714	4.6
265.19327	11.6
275.17975	7.1
277.19522	7.6
283.20599	8.1
295.20627	5.9
337.25525	8.7
362.26041	6.5
454.89096	5.7
456.33719	33.7
474.34836	8.8
548.40271	9.7
550.17181	5.7
566.41370	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	566.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	31.3
57.03450	11.9
67.05510	80.9
67.84935	6.1
69.07085	36.6
69.38299	18.9
69.38725	39.1
71.04996	8.6
71.08624	7.2
72.49736	6.1
79.05505	35.6
81.07059	100.0
83.04948	6.5
83.08627	20.2
85.06541	6.8
91.05473	31.9
93.07047	58.7
95.04931	8.5
95.08620	81.3
97.06534	7.6
98.20812	16.3
105.07047	34.4
107.08620	35.9
109.10176	21.4
117.07004	11.3
119.08546	31.6
120.08752	6.8
121.10155	20.7
131.08566	9.7
133.10132	29.2
135.11719	17.2
145.10133	15.3
147.11688	8.3
149.13324	7.3
161.13264	26.7
179.14305	18.2
195.11847	6.0
231.35638	7.0
253.18062	23.3
261.22189	12.0
271.19049	35.8
278.41309	6.4
335.25858	97.5
531.40735	32.5
566.40295	19.8
588.81226	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	567.1707
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03434	1.1
65.75230	0.7
67.05508	0.7
69.03419	2.6
70.06586	1.6
71.60423	0.9
81.03397	1.3
84.04522	0.8
84.08151	0.9
85.02907	5.1
86.09696	0.8
91.05505	0.9
93.07053	0.9
97.02883	1.9
109.02851	0.9
127.03918	1.0
151.03920	0.7
153.01863	0.8
163.59869	0.6
167.07088	1.1
181.04974	0.8
207.06412	0.9
242.05814	2.3
255.06516	2.1
256.07431	0.8
258.05157	1.7
262.09949	0.6
270.02496	1.4
270.05215	12.3
273.03940	2.2
276.94714	0.7
286.04800	1.8
287.05533	5.2
299.05585	2.0
301.03479	2.4
302.04330	4.1
313.03516	1.3
315.04987	47.2
316.05765	6.2
329.06686	0.9
331.08127	88.1
388.57217	0.8
405.11832	100.0
406.12161	1.0
420.42377	0.7
567.19391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1711
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03915	0.6
55.01845	0.6
55.05488	0.6
57.03440	1.5
61.02874	1.4
67.05477	0.6
69.03436	3.9
69.07043	0.4
70.06551	0.6
70.77638	0.7
70.77978	0.4
71.04967	0.5
72.08112	0.3
73.02887	0.6
75.04449	0.8
79.05467	0.4
81.03374	1.4
81.07049	0.4
83.04964	0.4
85.02910	6.1
87.04441	0.8
87.33015	0.3
91.03932	0.5
91.05452	0.8
93.07016	0.7
94.20529	0.3
94.69405	0.3
95.04918	0.6
97.02911	2.1
99.04450	0.8
100.11190	1.3
101.02312	0.4
103.03940	0.3
105.06988	0.5
107.08575	0.4
109.02832	1.1
114.09111	0.4
118.05370	0.3
119.04938	0.3
121.02844	0.7
125.09572	0.4
126.03278	0.4
127.03929	2.1
132.39272	0.3
133.06461	0.3
135.08046	0.4
136.74785	0.3
137.05946	1.3
140.07042	0.5
140.63330	0.3
142.12218	0.5
145.04936	0.9
147.04350	0.9
149.06096	0.3
151.07471	0.4
152.28532	0.3
153.01845	4.3
161.05890	0.4
163.03828	0.4
164.07077	0.4
167.07033	1.0
175.03876	0.4
177.05406	0.5
178.02545	0.4
179.07021	1.0
180.10071	0.5
181.04880	1.4
181.06339	0.4
182.15350	1.1
184.07347	0.3
189.05479	0.4
207.06488	0.6
208.06801	0.3
210.14859	1.1
221.95494	0.3
241.05045	0.7
242.05717	3.1
253.05026	0.5
255.02934	0.4
255.06613	1.1
256.07135	0.4
258.05231	2.7
270.05255	11.1
271.05960	0.6
273.04041	1.7
284.06735	0.5
285.03940	0.7
286.04749	1.9
287.05457	4.9
299.05551	2.5
301.03503	2.9
302.04187	3.6
313.03464	1.1
315.05005	45.6
316.05786	7.8
329.06409	1.7
330.07385	0.5
331.08136	100.0
332.08490	1.1
405.11841	52.4
406.12000	1.0
549.32227	0.5
566.42621	0.9
567.16400	1.6
567.32953	0.9
567.42590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1715
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.05502	0.5
69.03400	0.5
69.07072	0.3
70.06625	1.4
77.04901	0.2
81.07019	0.4
83.08613	0.4
85.02895	0.6
91.05441	0.6
93.07040	0.3
97.02873	0.3
100.11266	2.3
114.09119	0.3
122.13567	0.2
137.05963	0.5
147.04482	0.6
153.01854	1.6
167.07016	0.6
177.05516	0.3
178.02661	0.6
179.01266	0.2
179.03258	0.3
179.07030	0.7
181.04968	0.4
182.15416	0.2
186.12192	0.3
193.08826	0.2
196.16928	0.4
205.05040	0.3
207.06560	0.4
209.16571	0.3
210.14890	0.5
242.05795	1.6
253.05034	0.5
255.06551	2.0
256.07449	0.7
258.05219	1.8
269.04449	0.5
270.05258	14.0
273.03979	1.6
284.06824	0.7
286.04779	1.8
287.05551	4.9
298.04825	0.3
299.05573	3.1
301.03522	3.1
302.04297	3.1
312.06406	0.6
313.03424	1.0
315.05011	48.9
316.05780	6.3
316.09497	0.4
329.06561	0.9
330.07248	0.5
331.08139	91.2
332.08521	0.7
405.11841	100.0
406.12198	1.4
408.44748	0.3
444.91089	0.2
527.10150	0.3
548.42102	0.6
564.34344	0.3
566.42773	2.3
567.16785	0.7
567.24316	0.6
567.42999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2779
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
56.96572	0.9
59.83804	0.8
60.73577	0.8
67.05169	0.9
67.05486	4.0
69.03415	1.0
69.07061	1.1
70.08092	2.7
70.08500	1.6
79.05484	2.2
81.03394	1.9
81.07050	2.6
83.08577	1.1
85.02866	1.0
91.05466	0.9
93.07043	1.5
95.01122	1.0
95.08612	1.6
98.21498	0.8
107.08545	1.6
109.10198	2.1
119.08646	1.0
127.03957	0.9
131.04869	0.9
131.08548	0.8
147.04391	1.0
151.54642	1.0
171.11655	1.1
184.07259	1.2
185.07669	0.9
203.05193	1.5
247.08879	0.9
259.07864	1.5
331.09943	2.4
331.18802	0.9
373.14746	1.8
387.15762	0.8
387.21173	1.8
405.22308	1.5
429.93231	0.9
455.18896	1.7
469.20389	6.7
549.26758	25.7
559.23297	0.8
567.27612	100.0
568.27930	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	567.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
67.05523	7.3
69.03418	2.1
69.07065	1.9
71.59437	1.4
76.28652	1.0
79.05488	3.3
81.03403	4.7
81.07043	4.7
82.70654	1.3
83.04977	1.2
83.76544	1.0
85.02938	1.3
91.05479	2.1
93.07053	2.9
95.08607	2.4
98.97588	1.5
105.07021	3.3
109.10126	3.3
121.10175	1.2
124.52514	1.2
127.03895	1.7
133.10104	1.3
147.04382	1.4
159.11674	1.8
184.07431	1.3
209.29236	1.1
223.83685	1.3
270.96890	1.3
272.17953	1.2
280.29709	1.4
331.10040	2.8
387.21039	1.4
405.22327	2.3
469.20224	5.2
549.26691	24.8
567.27588	100.0
568.27539	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	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08312	0.5
55.05513	0.9
56.96555	0.5
57.03425	0.6
60.15952	0.4
61.69073	0.4
67.05518	1.2
69.03427	1.4
69.07066	1.3
69.26489	0.4
79.05506	1.9
81.03416	0.7
81.07064	1.6
83.05050	0.7
85.02915	1.6
85.06583	0.5
86.09704	1.0
91.05489	3.3
93.07052	1.2
95.04965	0.7
95.08608	2.2
97.02909	0.5
97.06585	0.5
97.10141	0.4
98.97623	0.6
99.04462	0.5
103.05489	0.5
104.05800	0.5
105.07041	1.8
107.04960	1.2
107.08587	1.4
109.02885	1.0
109.10153	1.2
110.48403	0.6
111.04469	0.5
117.07008	1.0
119.04955	1.0
119.08591	0.6
121.06502	0.6
121.10123	0.9
123.08073	0.6
127.03867	0.5
132.73289	0.4
133.10168	0.6
135.07988	0.6
136.08737	0.6
137.05995	1.6
144.53949	0.5
145.06470	0.5
145.10040	0.6
147.04453	2.0
151.03897	0.5
167.07082	1.8
175.03918	0.9
177.05505	0.5
181.04984	0.8
185.04236	0.5
191.07060	0.5
203.05342	1.1
203.61308	0.5
207.06546	0.8
222.19347	0.5
252.41463	0.5
259.08002	1.2
299.05618	1.2
311.05649	0.8
329.06598	1.5
331.18970	0.8
405.22568	1.9
431.19067	1.8
567.27820	100.0
568.28125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01870	3.2
55.05503	7.5
55.27695	1.9
56.05027	4.8
56.31250	2.1
57.03434	5.9
58.06583	2.9
61.02929	18.6
67.05508	14.0
69.03426	22.3
69.07046	6.7
70.06583	12.4
70.71610	4.2
70.71944	3.7
70.75722	2.1
71.04992	5.8
73.02922	10.7
79.05500	14.9
79.89204	1.8
80.05009	2.4
81.03422	36.2
81.07058	29.3
83.04962	6.9
83.08620	10.8
84.04501	10.3
84.08128	6.1
85.02907	27.8
85.06544	4.2
86.05579	3.0
86.06078	50.3
86.09743	2.0
87.04471	48.7
91.03946	8.9
91.05482	13.1
93.07055	29.0
95.04968	11.6
95.08617	9.5
96.04442	2.6
97.02875	13.4
97.06517	8.6
98.05478	3.2
98.06062	36.2
98.97569	4.0
99.04474	3.9
101.02383	2.0
102.05534	3.2
103.05460	2.0
104.07112	62.4
105.05527	2.2
105.07020	11.2
107.04961	4.8
107.08607	9.8
109.02866	3.6
109.06501	4.7
109.10141	3.5
111.04456	2.7
111.08096	4.7
112.07607	10.3
117.07045	2.2
118.08632	3.4
119.04963	2.3
119.08590	8.2
121.06440	2.8
121.10144	34.2
122.02762	2.8
123.04435	2.5
123.08083	5.9
123.11712	49.8
124.07582	5.8
125.09624	1.9
126.05495	7.5
127.03884	7.1
129.06985	5.4
131.08589	9.8
133.10117	6.4
135.11705	2.7
137.06015	4.1
138.05489	4.6
138.12782	5.2
139.11197	2.7
140.10704	4.7
142.08656	2.1
145.04944	4.6
147.04375	3.9
147.11653	13.2
148.07587	3.5
149.06007	3.7
149.09634	42.7
149.13271	2.7
151.11180	20.3
152.11531	2.0
153.09093	2.5
157.10121	4.7
158.08116	7.7
163.03825	2.6
165.12791	9.4
166.12271	3.8
167.07117	10.5
167.08376	2.2
167.10701	56.5
173.13228	2.2
175.11223	4.8
177.05566	2.2
182.15454	3.2
182.26634	2.2
184.13335	3.3
187.07420	3.0
193.12260	41.1
195.07976	3.0
195.13814	2.8
209.11728	4.5
209.15352	5.0
210.14882	9.0
211.13283	5.9
215.10695	3.6
224.16377	2.6
227.12773	6.2
227.16422	83.1
233.08119	2.5
241.08707	9.7
243.10184	9.3
250.18181	3.3
252.16025	12.5
260.16296	4.6
267.15930	20.1
268.19055	2.1
270.16922	2.3
278.17560	13.0
285.16983	29.0
296.18530	3.9
310.16705	2.6
326.05618	2.4
326.19885	2.3
344.20667	12.7
352.21106	2.9
362.21796	31.4
370.22250	17.3
387.14264	2.6
388.14917	3.9
388.23343	96.4
550.28662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05514	11.8
57.03446	3.5
57.07058	3.4
61.02932	7.1
62.14296	2.0
67.05515	13.9
69.03423	13.2
69.07063	10.8
70.06609	5.6
70.72720	2.6
70.73058	4.7
71.04996	6.2
72.08150	2.8
73.02927	3.6
79.05485	9.7
81.03426	18.9
81.07056	25.6
83.04980	12.9
83.08618	7.1
84.04516	2.7
85.02909	29.8
85.06548	5.1
86.06060	8.0
87.04475	8.5
91.03960	3.3
91.05489	20.9
93.07061	19.3
95.04977	42.8
95.08619	15.6
97.02898	13.0
97.06542	7.9
98.06063	4.8
99.04460	9.5
100.80147	2.2
104.07093	13.2
105.07028	34.1
107.04968	4.1
107.08598	32.5
109.02893	5.5
109.06524	20.4
109.10163	32.1
109.10829	3.9
111.04413	2.3
111.08091	6.1
112.07575	2.3
113.09673	2.8
115.07559	2.6
117.07003	2.8
118.08663	4.2
119.08598	32.5
120.09323	2.3
121.10149	26.0
123.08038	6.5
123.11734	5.4
124.07552	2.4
124.39906	2.5
127.03902	6.6
129.07021	3.8
131.08586	19.2
133.10138	67.0
135.08060	7.4
135.11696	14.4
137.06009	3.0
139.11169	6.3
143.08528	2.8
145.04968	7.5
145.10152	7.8
147.11690	20.0
149.09636	10.0
149.13246	12.2
151.11180	6.5
153.09154	14.3
154.71638	2.3
158.10895	5.7
163.03914	8.3
165.12854	4.2
166.12419	2.4
167.07042	4.5
167.14342	4.8
173.13266	44.3
175.14832	100.0
191.14313	56.4
193.12271	12.0
193.15761	3.0
194.59268	2.4
209.11838	4.2
209.15378	70.3
227.16393	27.9
261.64972	2.4
267.15952	7.9
273.11237	3.8
278.17395	2.2
285.17023	13.1
353.10358	2.7
362.21866	5.6
370.21970	3.8
388.23212	19.1
470.80994	2.5
507.16901	2.6
536.36877	2.4
550.28552	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	568.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56550	0.5
52.92959	0.5
53.03949	0.9
55.05513	1.0
57.03431	0.5
59.04997	0.8
60.04517	0.5
60.08160	1.2
67.05518	3.0
69.03442	2.2
69.07069	1.7
70.06602	1.8
70.98753	1.1
71.04988	0.7
72.08151	0.8
74.02420	0.6
74.06087	1.0
79.05502	3.8
80.01382	1.6
81.03424	1.1
81.07063	3.9
83.04972	0.7
83.08621	0.5
84.04510	0.5
84.08156	0.6
85.02908	1.4
86.09724	2.9
88.04012	1.3
91.05481	2.6
92.28555	0.5
92.99883	0.4
93.07054	2.8
95.05013	0.8
95.08604	2.6
97.06557	0.9
97.10239	0.5
103.05490	0.5
104.10771	3.5
105.07020	2.2
106.06564	2.6
107.04961	1.0
107.08610	2.7
108.08141	1.1
109.02898	0.8
109.06536	1.1
109.10160	1.2
110.06052	0.6
111.08077	0.6
116.04984	1.3
117.06980	0.7
119.04939	0.9
119.08591	0.5
120.08112	0.8
121.02921	1.4
121.10164	1.8
123.08073	0.7
123.11772	0.5
124.07620	0.9
125.00037	1.6
125.09648	0.8
127.03889	0.8
131.08554	1.1
132.08118	0.6
133.06511	0.8
133.10161	1.5
134.06024	19.8
135.04427	0.5
135.11665	0.7
136.07608	4.9
137.06015	1.1
137.08374	3.5
137.09314	0.5
138.09125	1.2
143.08476	0.6
145.02841	0.7
145.10110	0.6
147.04433	1.2
148.07588	1.3
149.09677	0.5
150.05530	1.0
150.09213	1.4
151.09969	0.8
152.07085	9.6
152.10684	0.5
154.08667	0.9
159.11526	0.5
160.07544	1.1
161.08257	0.4
162.09186	1.3
163.04018	0.8
166.08687	1.7
167.07086	1.2
173.13287	0.7
174.09175	1.7
175.03925	1.0
175.11252	0.5
176.07091	1.0
176.10771	2.1
177.05450	0.8
178.08652	8.9
178.12256	0.5
179.09393	2.7
180.06631	3.3
180.10208	16.2
181.05049	0.7
181.10983	1.6
184.07353	5.1
186.09251	0.7
187.09842	0.5
188.10732	1.3
190.08678	0.8
190.12328	0.7
192.10301	1.2
194.08194	1.9
194.11836	2.1
200.10838	0.9
202.12213	3.0
204.10295	1.7
206.08134	15.3
206.11858	0.9
207.06569	1.1
208.13371	0.7
211.10052	0.6
214.08342	0.4
216.10272	0.7
216.13889	0.6
218.11848	0.8
220.13385	1.2
222.14893	0.8
224.09177	2.8
226.12334	0.8
228.13821	0.5
230.11832	1.4
232.13417	0.6
234.15019	1.1
236.09129	0.5
238.07150	1.2
238.10764	1.0
240.13806	0.5
248.13188	0.6
248.16422	0.4
254.15833	0.6
272.16486	0.5
276.40491	0.4
280.15485	1.5
286.18231	0.5
287.05597	1.7
292.15298	2.8
306.17053	1.0
334.20117	0.6
348.21713	3.5
364.21680	0.5
370.29071	0.5
372.28967	0.7
374.27029	3.8
388.30453	1.1
398.27383	1.0
400.24591	0.8
400.29099	0.6
406.31766	2.0
412.36682	0.6
416.28073	0.8
418.25851	1.4
432.27478	2.5
444.27420	1.7
462.28641	1.9
470.33258	1.0
474.28613	1.0
488.33963	1.1
492.29556	3.8
514.31848	4.3
532.32672	12.4
550.33777	9.8
568.34875	100.0
569.35205	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03939	3.7
55.05512	10.5
56.16448	0.8
57.07075	7.9
59.04988	2.1
65.03938	4.4
67.05503	17.8
69.03415	1.6
69.07072	11.3
71.02668	1.3
71.04993	1.4
71.08647	0.9
77.03934	1.3
79.05493	26.5
80.06261	3.6
81.03416	0.8
81.07057	35.4
83.04966	2.9
83.08620	6.0
85.06539	3.2
85.10143	0.9
88.07606	1.2
88.17786	0.8
91.05480	46.0
92.06262	3.0
93.07047	54.8
94.07813	2.3
95.04974	40.4
95.08608	27.9
97.06525	1.9
97.10159	1.0
98.31865	0.7
103.05476	4.6
105.04548	1.7
105.07034	86.7
106.07824	5.7
107.04951	1.2
107.08596	44.3
108.05762	1.1
108.09347	2.4
109.06496	5.4
109.10157	20.2
110.07326	0.9
111.08081	1.4
115.05425	5.1
116.06235	2.0
117.06199	1.6
117.07023	27.6
118.07838	2.9
119.04960	1.4
119.08583	100.0
120.09386	7.5
121.06522	2.9
121.10143	31.8
122.10889	1.2
123.08069	15.9
123.11703	5.9
125.09610	1.5
128.06229	11.7
129.07008	17.4
130.07794	10.6
131.08572	49.3
132.09358	9.7
133.06528	1.4
133.10135	57.6
134.10968	5.8
135.08069	5.9
135.11694	16.6
137.09651	5.5
138.10399	6.6
139.11140	1.6
141.06970	9.3
142.07773	18.0
143.08563	44.8
144.09340	15.4
145.10126	90.0
146.10927	6.3
147.08073	2.6
147.10556	0.8
147.11682	21.8
148.12387	1.5
149.09637	5.1
149.13261	5.3
151.11165	3.5
153.06993	3.6
154.07758	3.2
155.08569	17.6
156.09357	17.8
157.10130	48.9
158.10915	12.5
159.08092	1.7
159.11693	37.1
160.12503	3.0
161.09641	5.7
161.13275	6.6
163.11201	2.4
163.14813	1.6
165.06987	3.1
166.07799	2.6
167.08578	9.8
168.09357	5.9
169.10124	28.6
170.10896	7.9
171.11694	33.7
172.12488	6.3
173.13263	27.2
174.13980	1.1
175.11220	1.7
175.14828	20.4
177.12761	5.0
177.14034	0.8
178.07776	1.0
179.08562	9.7
180.09312	4.4
181.10120	16.5
181.11588	1.4
182.10910	8.0
183.11697	26.5
184.12456	5.6
185.13255	24.1
185.14815	1.8
186.14082	6.1
187.11133	1.4
187.14835	14.0
188.15593	1.2
189.12781	3.6
190.13490	1.1
191.14322	9.7
192.09352	2.7
192.15086	3.0
193.10124	7.9
194.10895	8.3
195.11699	15.7
196.12471	7.4
197.13254	26.8
198.14038	5.8
199.14815	11.5
200.15570	2.1
201.12746	4.2
201.16393	6.4
203.14349	3.5
204.15016	1.1
205.10130	1.2
205.15958	2.3
206.10945	3.6
207.11688	9.7
208.12489	4.0
209.13258	27.1
210.14021	2.4
211.14815	17.4
212.15604	3.4
213.16382	3.6
215.14330	1.6
217.10086	1.0
217.15947	5.0
218.10916	1.2
218.16605	1.1
219.11716	2.6
219.17432	2.5
220.12512	3.5
221.13269	8.2
222.14061	2.5
223.14824	11.0
224.15691	4.2
225.16367	6.8
226.17131	2.4
227.14371	1.8
227.18085	2.0
229.15828	1.5
230.16652	1.2
231.11662	1.4
231.17532	2.3
232.12392	2.0
233.13249	3.5
234.13994	2.2
235.14891	6.0
236.15532	1.5
237.16397	8.4
238.17043	1.6
239.18002	5.7
241.19528	2.6
243.17574	1.2
245.13312	2.0
246.14130	1.4
247.14874	3.0
249.16397	4.7
250.17232	1.2
251.17984	2.7
252.18904	1.0
253.19463	2.3
255.17548	2.3
257.19058	2.3
257.32047	1.0
259.14877	1.8
259.20605	3.0
261.16400	3.6
263.18057	5.9
264.18719	1.2
265.19446	4.4
266.20218	1.4
267.20999	1.1
269.18875	1.1
270.19794	1.2
271.20584	1.1
272.21512	1.6
273.16272	1.2
275.17963	2.9
277.19586	3.6
279.21033	2.7
281.18991	2.1
283.20657	3.0
283.26297	1.6
284.29520	1.7
285.22043	2.7
287.17819	1.2
289.19379	1.2
295.20575	1.0
297.22235	1.9
303.20935	1.3
305.22610	2.8
309.21899	1.0
311.29431	1.7
312.32693	1.7
319.24200	1.2
320.24942	1.5
323.23755	6.7
324.24207	1.3
331.24280	1.0
335.23514	1.1
337.25204	3.5
338.26031	39.2
349.25278	2.2
351.26874	1.9
357.11908	1.1
361.24838	1.0
362.26108	1.0
397.29190	1.2
415.29874	1.2
420.30161	2.6
429.31348	1.6
430.32355	11.9
443.33121	1.0
458.35837	1.7
476.36584	15.6
550.41071	1.2
568.42834	21.6
568.56128	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	569.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12980	0.2
55.01871	0.2
58.23764	0.2
67.05518	0.3
69.07057	0.2
78.65783	0.2
81.07063	0.3
87.10463	0.2
91.05486	2.7
98.21574	0.4
119.04946	4.8
119.08617	0.2
124.28599	0.2
137.05975	0.3
147.04408	6.6
151.03903	0.2
151.07555	0.4
153.01842	1.2
154.02588	0.3
158.76019	0.2
161.18095	0.2
164.04721	0.2
178.02634	0.4
179.07031	4.0
187.24002	0.2
213.05502	0.4
229.04959	0.2
241.04997	0.6
242.05730	3.3
245.04767	0.2
253.04851	0.3
255.02863	0.3
257.04504	0.3
258.05273	3.1
264.97229	0.2
269.04492	0.6
270.05246	10.3
273.03976	1.9
274.04105	0.2
285.03751	0.4
286.04724	1.5
287.05521	5.2
298.04678	0.4
299.05591	0.8
301.03442	2.7
302.04193	3.6
311.12610	0.2
313.03406	2.0
315.04993	45.1
316.05759	5.1
329.06540	1.0
331.08121	100.0
332.08426	0.8
404.13788	0.2
441.21115	0.2
471.22055	0.4
569.16327	5.6
569.29120	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	569.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.67453	0.2
62.95199	0.2
67.05479	0.3
70.75237	0.4
70.75578	0.2
79.05466	0.3
81.03392	0.2
81.07037	0.3
84.08121	0.2
91.05476	1.7
93.07027	0.3
105.07016	0.3
107.08552	0.2
119.04202	0.2
119.04956	3.2
120.08076	0.3
125.84019	0.2
130.86647	0.2
137.05876	0.3
143.08549	0.2
147.04411	4.9
151.07552	0.3
153.01855	0.9
154.02704	0.2
165.09106	0.2
166.08652	0.5
173.13159	0.2
178.02583	0.4
179.07047	2.7
241.04903	0.5
242.05716	3.1
253.04893	0.2
255.02824	0.3
258.05255	2.8
269.04514	0.4
269.55902	0.2
270.05240	9.3
273.03955	1.6
285.03922	0.6
286.04706	1.3
287.05508	4.8
287.08420	0.2
298.04666	0.2
299.05533	0.8
301.03424	2.5
302.04257	3.1
313.03436	1.7
315.04996	43.0
316.05740	4.8
329.06641	0.7
331.08127	100.0
332.08569	0.8
368.14291	0.2
471.21991	0.3
533.15564	0.2
569.16559	4.5
569.29224	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63066	0.3
67.05511	0.5
68.32671	0.3
69.03417	0.3
69.07061	0.4
69.85254	1.8
79.05470	0.4
81.03410	0.6
81.07040	0.8
85.02902	0.3
91.05478	0.8
95.04993	0.4
97.02820	0.3
100.14238	0.3
105.07051	0.4
119.08580	0.4
121.10210	0.5
126.29361	0.4
131.08556	0.4
166.87343	0.3
185.04259	0.6
201.03612	0.5
203.05327	1.1
255.72087	0.3
259.07901	1.3
306.32123	0.4
331.09998	1.1
339.44351	0.4
364.15878	0.3
407.24118	1.1
457.20456	1.5
471.22006	2.9
483.21765	0.5
487.21384	0.6
569.29309	100.0
570.29456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2938
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05486	0.4
67.05494	0.6
68.27657	0.3
70.33892	0.7
70.34251	0.5
79.05493	0.3
81.03432	0.6
81.07070	0.5
85.02930	0.5
86.09686	0.3
91.05477	0.4
93.07055	0.9
95.08627	0.4
105.06994	0.5
107.08577	0.4
108.50804	0.3
109.10177	0.3
119.08545	0.4
121.10145	0.3
135.11745	0.5
135.26875	0.4
141.72537	0.3
147.04405	0.7
168.75993	0.3
253.12708	0.3
258.35938	0.4
302.11954	0.3
315.05008	1.1
331.07776	2.8
375.36792	0.3
378.72098	0.3
395.14404	0.3
402.75745	0.4
407.24170	1.3
446.65198	0.4
457.20425	2.1
471.21930	3.3
487.21680	0.7
569.29340	100.0
570.29602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.6
57.27576	0.6
59.07368	0.6
60.08160	0.7
67.05514	1.3
67.74571	0.5
69.07094	0.7
71.59431	0.7
79.05489	1.1
81.03425	0.7
81.07066	1.3
82.74377	0.5
85.02925	0.6
86.09710	5.1
87.10043	0.8
91.05473	2.3
95.04979	0.8
95.08595	1.4
97.10227	0.7
105.07058	0.6
107.08601	0.8
109.10163	0.7
119.04958	2.0
125.00018	3.4
131.08583	0.7
133.10130	0.8
147.04445	2.4
149.09514	0.6
153.01781	0.5
156.64471	0.6
179.07083	1.0
184.07379	13.4
185.04283	0.6
185.07701	2.4
201.03705	0.5
242.05725	1.2
258.05356	1.6
270.05304	3.4
273.04071	0.7
287.05515	1.9
301.03339	1.3
302.04236	1.3
313.03540	1.0
315.05029	21.5
315.08627	1.1
316.05728	2.0
331.08084	45.6
332.08408	0.7
407.24109	2.2
441.21008	3.1
443.22623	0.8
471.22083	0.8
479.25754	0.7
499.21637	1.1
569.29376	100.0
570.29651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28843	0.4
54.90802	0.5
57.17128	0.5
59.94897	0.5
61.80852	0.4
65.36343	0.5
67.05511	0.8
69.03427	0.5
71.60139	0.7
74.04011	0.5
79.05492	1.0
81.03416	1.0
81.07055	1.7
85.02892	1.3
91.05493	1.7
92.14090	0.5
93.07027	0.9
95.04974	0.8
95.08615	1.5
97.02918	1.0
97.06547	1.1
105.07053	1.1
107.08608	1.0
109.02872	0.9
109.06540	0.6
109.10171	0.8
111.08106	0.6
117.03414	0.5
119.04906	0.7
119.08592	0.8
121.10144	0.6
126.15743	0.5
127.03989	0.5
133.06447	0.5
133.10095	0.5
145.06622	0.5
145.10194	0.8
147.04396	1.4
167.07001	0.6
168.89995	0.6
173.13313	0.6
177.05479	0.7
185.04237	0.9
203.05341	0.9
207.06593	1.0
259.07846	1.2
331.08377	0.6
382.27679	0.5
395.14319	0.7
407.24240	1.4
457.20129	0.6
483.22025	6.6
569.20331	6.8
569.29303	100.0
570.29541	1.8
584.96313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92572	1.5
52.32114	1.4
53.03938	4.7
53.46207	1.5
55.01855	4.7
55.05512	23.4
57.03427	2.3
57.07071	4.7
59.05014	1.7
59.81573	1.6
61.98681	1.4
65.03931	2.4
67.05507	40.3
67.51941	1.8
69.03428	2.9
69.06717	2.3
69.07072	30.7
70.06593	1.8
71.04989	5.5
71.59977	2.3
73.06562	1.8
79.05495	41.4
81.03407	3.5
81.07065	45.0
83.04965	6.8
83.08622	10.4
85.06548	3.0
85.10153	2.0
88.05421	1.5
91.05487	42.1
93.07049	47.4
94.04337	1.5
95.04974	12.8
95.08614	31.2
97.06526	11.8
97.10175	8.5
102.09180	1.9
105.07027	40.3
107.04955	16.8
107.08595	24.0
109.06509	4.9
109.10172	12.5
110.55102	1.6
111.11756	2.1
115.05425	2.0
117.07014	13.4
119.08583	37.1
121.06506	3.6
121.10147	28.1
123.08050	4.8
123.11720	3.5
125.09635	1.6
129.06992	6.8
130.07726	2.0
131.08577	18.8
133.08653	2.0
133.10124	30.5
135.08072	14.4
135.11659	8.5
137.09625	1.8
139.11166	13.9
140.12457	1.6
143.08586	7.1
145.10124	15.8
147.08134	1.9
147.11674	18.3
149.09627	8.1
149.13255	5.2
155.08563	3.1
157.10094	7.2
159.11732	12.0
161.13255	6.4
163.11153	7.2
169.10068	2.7
171.11685	5.7
173.13304	8.2
175.14806	4.6
181.10095	1.9
183.11673	4.5
183.13832	2.7
185.11728	2.0
185.13243	3.1
187.14789	3.7
189.16399	2.1
197.13277	4.9
199.14766	1.8
201.12775	2.0
203.12720	7.9
213.16370	2.5
233.15337	2.2
235.17001	4.0
237.14925	5.6
239.17972	4.7
241.19571	2.1
247.16792	2.0
257.18991	6.6
259.20624	4.8
275.20065	100.0
276.20761	6.5
277.21616	13.6
284.26541	2.7
284.29446	4.4
285.29785	1.8
293.21207	17.3
311.29300	2.9
312.29883	2.6
315.23236	2.3
367.29962	3.4
369.27939	3.1
383.29187	2.1
513.98114	1.9
533.39545	2.4
551.40900	6.0
569.35077	2.6
569.42279	21.8
569.56616	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43473	2.4
51.54967	2.4
53.03949	8.7
53.73595	2.1
55.01883	3.1
55.05514	21.7
57.03433	4.2
57.07083	4.9
65.03970	3.4
67.05508	79.8
69.03443	4.0
69.07070	22.9
69.57973	13.5
70.06583	2.6
71.05001	2.7
71.08614	2.3
79.05496	62.6
81.03423	2.8
81.06569	3.7
81.07057	72.3
83.08628	10.8
91.05484	63.2
91.48413	2.4
93.07045	62.8
95.04984	9.6
95.08611	56.4
97.06547	5.8
97.10159	4.5
98.21558	3.8
105.04501	4.5
105.07034	39.3
107.08598	36.6
109.06521	4.7
109.10158	25.7
111.08091	3.3
117.07006	22.5
119.08589	38.3
121.10146	33.1
123.08060	5.8
123.11697	4.3
125.09715	4.0
129.07019	10.4
131.08578	27.8
131.09485	3.0
131.16733	2.8
133.08582	2.7
133.10138	22.5
135.08044	4.7
135.11707	16.1
135.14568	2.7
137.09593	4.5
143.08609	9.1
145.10120	19.3
147.11668	13.8
149.09625	3.0
149.13257	4.6
157.10176	9.9
159.11699	10.4
161.13289	7.6
163.14845	4.0
164.95035	2.6
165.96912	2.5
169.10118	3.3
171.11755	7.3
173.13332	8.6
175.14903	4.5
185.13264	3.9
187.14861	3.2
189.16365	5.2
195.11775	3.1
197.13260	2.7
199.14880	8.3
201.16249	3.1
211.14937	3.5
217.15919	4.9
235.16937	7.7
236.15132	2.4
241.19592	2.5
259.20746	5.3
261.22275	7.2
283.26404	3.0
285.29849	2.4
291.19641	4.1
312.29834	3.8
437.33966	3.0
477.37222	5.0
502.93613	2.4
541.54498	3.0
551.41205	8.1
569.42096	100.0
569.55853	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	570.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.8
55.05512	17.1
57.03433	7.2
57.07073	34.2
57.90705	4.9
63.14340	5.1
67.05491	26.2
69.07065	11.1
70.77306	5.7
71.08633	29.8
71.59940	8.1
79.05496	26.3
81.07065	35.3
83.08627	15.4
85.10191	9.8
89.06039	70.7
91.05473	11.3
93.07061	35.9
95.08609	54.6
105.07025	8.3
107.08589	28.3
109.10165	18.1
117.06985	6.6
119.08600	11.5
121.06516	8.1
121.10143	16.9
127.45535	6.1
133.08624	41.0
133.10120	7.7
135.11682	38.3
137.81685	5.5
145.10114	19.4
163.11217	51.3
177.11314	11.3
227.12766	72.5
248.87767	5.4
283.15344	78.3
297.17270	6.6
327.28949	100.0
331.92535	6.9
356.29437	5.6
371.22708	20.3
524.58484	5.6
525.37457	6.7
535.39972	74.5
557.09467	5.7
570.41742	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	570.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
57.07079	50.3
57.97446	0.9
67.05505	3.7
69.07063	6.6
71.08637	49.1
71.21434	1.6
73.06552	5.0
79.05487	4.3
81.07076	5.1
83.08612	3.3
85.09708	1.9
85.10190	30.7
87.04467	6.0
89.06036	100.0
91.05474	2.4
93.07051	4.1
95.08611	3.1
97.10155	3.3
99.03762	1.2
99.11735	7.7
105.07009	2.3
107.07042	1.3
107.08586	2.7
109.10173	1.3
111.11691	3.5
113.13286	5.0
117.09126	4.8
119.08597	1.3
121.10125	1.9
125.13242	2.4
127.14835	3.5
130.08667	2.7
131.07007	1.8
133.08607	59.7
135.10138	1.6
160.11214	1.5
161.11671	1.2
175.09668	1.8
177.11234	25.4
178.12193	1.4
221.13828	5.2
239.14888	1.3
258.08835	1.4
271.26364	2.5
283.17551	3.7
303.35831	0.9
309.19272	1.0
315.28836	3.5
327.20206	3.0
371.22791	10.5
465.37744	1.4
509.40256	1.3
553.43268	9.7
570.43134	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	571.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04751	1.6
69.36737	1.4
71.58961	1.8
101.00877	11.6
113.00856	3.6
115.02480	2.1
119.01921	22.0
121.02827	1.6
127.02409	3.4
131.01906	8.1
133.03465	3.5
134.42819	1.3
137.03006	2.3
143.01906	28.2
145.03532	11.1
146.08597	1.4
147.01375	3.1
149.02943	1.7
155.01923	14.1
157.03442	6.2
161.02968	22.9
163.03929	6.9
167.01878	11.1
168.99777	3.3
169.03535	4.2
171.04985	2.7
173.02979	25.8
179.01904	5.2
185.01321	2.7
185.02972	46.3
187.00873	4.7
187.04506	5.3
191.04091	2.4
197.02977	14.5
199.00789	2.5
201.02423	3.0
203.04010	15.7
215.00407	4.1
215.03989	9.0
217.01913	2.7
219.03450	2.0
221.02974	5.8
221.05038	2.1
227.04022	13.0
229.01878	2.8
231.03546	2.2
245.05096	100.0
246.05411	2.4
247.02994	3.0
257.05109	6.8
259.03030	4.2
261.04672	2.6
263.03741	1.9
263.06131	11.7
271.02808	1.9
275.02765	3.2
275.06146	16.7
289.03952	11.3
293.07040	3.4
301.04068	2.4
303.05679	2.4
305.07239	11.0
307.05112	9.7
319.05087	2.6
331.05139	3.5
335.08228	4.1
349.06244	9.5
359.04779	4.0
361.06158	2.7
365.09485	18.8
377.05676	2.0
391.07068	4.5
397.09915	4.0
409.08200	1.7
410.04886	1.8
451.09702	1.6
511.11179	4.5
539.11041	3.3
571.13470	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	571.397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01853	0.9
55.05296	0.5
55.05510	5.7
57.03431	1.1
57.07070	3.1
67.05165	0.8
67.05505	12.0
69.03430	0.6
69.06770	0.5
69.07064	5.2
71.08621	0.7
76.94543	0.5
79.05491	8.9
81.03429	0.7
81.07051	13.6
83.04968	1.2
83.08606	3.7
85.06541	1.1
85.10186	3.9
89.06021	1.5
90.06300	0.5
90.77563	0.5
91.05476	8.3
93.07043	8.5
94.35199	0.5
95.04968	1.3
95.08043	0.8
95.08607	10.4
97.06507	1.8
97.10172	2.1
98.20693	1.2
105.07020	8.3
107.04960	1.2
107.08595	5.1
109.06579	0.8
109.07387	0.5
109.10139	4.0
111.08096	0.9
111.11703	0.7
113.09649	3.9
116.75824	0.6
117.06990	2.2
117.17245	0.5
119.08591	6.0
121.10143	4.6
123.08054	1.0
123.11676	1.8
129.07007	0.9
131.08569	3.6
133.08600	1.2
133.10136	4.0
135.11668	2.9
143.08551	1.6
145.10133	2.7
147.11694	4.1
149.09621	1.4
149.13274	1.4
157.10092	1.7
159.11694	2.1
161.13254	2.4
165.12796	3.5
171.11708	1.4
173.13222	1.5
175.14723	1.0
179.14201	0.6
181.10028	0.6
183.11743	0.7
185.13246	1.4
187.14804	1.0
201.16306	0.6
220.14345	0.6
229.57887	0.8
237.14627	5.5
241.19437	0.9
259.20621	1.9
261.22244	0.8
275.20084	5.7
277.21594	5.4
293.17267	3.7
294.13135	0.6
295.22684	3.6
301.21573	0.8
335.25720	1.7
357.23981	1.3
362.23572	0.5
385.31146	0.7
441.33499	1.0
453.64221	0.5
470.15875	0.6
553.42255	1.0
565.90717	1.4
571.39587	100.0
572.39941	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	571.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.0
55.01874	18.3
55.05260	3.6
55.05513	70.6
57.03418	3.6
57.07060	6.2
59.04978	3.1
65.03924	4.5
67.05167	6.2
67.05506	96.6
69.03435	7.0
69.07069	58.2
69.80843	16.4
71.04978	10.3
71.06849	3.0
79.05495	67.6
81.03361	3.8
81.07058	95.0
83.04970	10.9
83.08624	36.9
85.06538	9.7
88.29430	3.1
91.05487	46.2
93.07053	72.8
93.10960	3.5
95.04951	9.6
95.08044	5.5
95.08611	73.7
97.06524	20.9
97.10177	42.1
105.06377	4.5
105.07039	68.5
107.04960	3.6
107.08601	48.4
109.06488	3.9
109.10164	43.1
111.08046	3.7
117.07021	46.8
119.08583	52.5
121.06512	3.3
121.10147	31.0
123.08105	4.1
123.11678	8.0
125.09630	24.7
128.06226	3.8
129.07008	26.5
131.08569	73.9
133.10141	43.2
135.08026	6.4
135.11693	20.7
141.06947	7.6
142.07822	4.7
143.08585	27.1
145.10126	74.6
147.07974	5.4
147.11696	35.3
149.13231	8.2
152.99445	3.0
155.08566	14.3
157.10156	31.2
159.11697	53.5
161.13255	9.7
161.41232	3.1
163.11113	4.1
163.14796	3.9
169.10063	18.9
171.11671	25.5
173.13275	35.3
175.11137	4.8
175.14804	9.2
181.10097	6.1
183.11662	12.0
185.13281	20.9
187.13371	4.2
187.14813	19.1
189.11226	14.1
189.12714	3.3
189.16380	3.5
195.11705	6.6
197.13306	8.8
199.14801	14.4
201.16350	11.2
209.13257	7.7
211.14845	9.5
213.16376	10.8
215.17902	11.5
218.38895	3.8
221.13208	3.7
223.14922	5.1
225.16394	5.9
227.17972	7.2
229.19553	4.0
243.20984	4.0
263.20105	3.8
268.98837	3.0
273.18344	4.2
275.20181	8.2
277.21689	8.8
289.21716	4.3
313.25186	3.8
315.23154	9.4
317.24921	4.9
329.24774	5.7
341.24591	3.8
343.26135	7.0
357.27832	4.3
367.29953	15.1
370.28488	3.9
383.33142	6.9
385.31061	100.0
399.32620	6.9
439.35800	3.6
459.34827	16.8
460.47028	3.7
465.33649	5.6
483.34332	5.5
513.39545	5.9
517.40417	13.7
535.41382	34.1
553.42645	82.3
554.42792	6.2
571.36145	6.6
571.43781	72.6
595.90497	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	571.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.3
53.39779	2.7
55.01875	4.7
55.05514	43.3
57.03432	7.5
57.07082	12.2
59.53592	3.2
65.03965	2.9
67.05161	4.5
67.05507	75.2
67.05862	4.2
69.03438	5.2
69.07069	46.9
70.55872	2.2
71.05000	6.2
71.08631	7.9
71.59946	2.8
79.05048	3.9
79.05499	63.1
81.03426	19.1
81.06584	3.6
81.07061	74.3
81.16882	2.3
83.04971	10.6
83.08635	18.1
85.06542	5.6
85.10187	11.6
89.06041	12.8
91.05486	50.6
93.07050	73.9
95.04958	17.9
95.08607	57.9
97.06549	5.2
97.10172	18.6
99.08108	5.4
100.45247	3.0
105.04525	2.5
105.07034	48.2
107.04957	7.3
107.08601	38.3
109.06512	5.8
109.10158	19.9
111.08125	3.0
111.11726	4.2
113.09653	10.2
117.07047	16.7
119.08591	49.0
121.10147	37.6
123.08081	4.4
123.11687	9.3
125.09603	4.3
129.07013	11.5
131.08578	24.9
133.08585	6.6
133.09143	2.9
133.10144	43.7
135.08061	8.2
135.11693	22.5
137.09645	15.9
139.11182	13.3
141.06993	3.9
143.08586	6.8
145.10146	22.7
147.08051	4.8
147.11707	30.7
149.09622	9.6
149.13260	13.8
151.11218	8.0
155.08536	5.4
157.10117	10.6
159.11710	18.3
161.13277	13.4
163.11203	7.7
163.14873	4.2
165.12704	12.7
167.10852	2.8
169.10123	5.2
171.11710	10.0
173.13260	16.4
175.14821	8.6
183.11665	5.3
185.13254	6.6
187.14825	6.2
191.14458	3.7
199.14815	6.2
203.12805	8.0
207.13916	2.9
213.16423	3.9
221.15352	6.0
233.15489	2.5
241.19528	6.2
257.18954	3.6
259.20514	14.8
275.20084	74.2
276.20914	12.2
276.90900	3.3
277.21640	100.0
293.21204	5.8
295.22690	53.9
301.21817	4.0
369.31744	4.9
371.29758	5.5
517.40472	3.9
535.41315	4.5
553.42834	13.5
565.91095	4.0
571.44574	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	572.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.07081	23.2
67.05501	5.4
69.07063	4.7
71.08634	24.0
71.21916	2.5
73.06570	9.1
75.07792	1.6
79.05487	3.1
81.07052	5.0
83.08610	6.3
85.06535	1.4
85.10190	21.6
87.04468	5.8
89.06036	100.0
91.05489	1.8
93.07041	4.1
95.08602	3.5
97.10198	1.7
99.11728	3.6
105.06973	2.1
107.08564	3.5
109.06512	1.5
109.10165	1.8
117.09119	6.2
119.08567	2.0
121.10122	2.8
133.08609	44.9
135.10065	1.4
135.62157	1.4
141.16409	3.9
145.10121	1.5
159.11707	1.4
161.04491	1.5
177.11243	16.9
185.19006	5.8
220.22458	1.3
221.13829	4.8
226.21680	1.4
229.21684	8.6
234.01161	1.6
237.22176	1.5
265.16647	2.0
273.24252	4.7
371.22635	1.8
408.23453	1.5
415.25394	3.5
459.43256	1.8
555.41077	4.9
572.35303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
61.69812	0.3
67.76046	0.3
68.95552	0.3
70.06609	0.8
70.77915	0.3
72.08193	0.4
79.05515	0.4
79.43085	0.3
81.07056	0.3
84.04510	0.4
84.08149	1.0
84.95996	0.4
85.02914	0.7
86.09719	0.3
91.05498	0.3
92.58945	0.3
95.04981	1.1
97.02914	0.4
97.06544	0.5
98.97619	0.5
107.05009	0.3
107.08584	0.3
119.04927	0.4
119.08606	0.3
121.02871	0.5
130.66249	0.3
135.04413	0.3
151.03860	0.6
163.03928	0.6
171.48848	0.3
171.59586	0.3
173.13194	0.5
175.03940	0.3
177.05515	0.8
188.07014	0.4
203.05391	1.4
228.09995	0.3
393.18951	1.8
395.20682	0.4
402.08917	0.3
411.20212	0.9
573.25238	100.0
574.25836	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	574.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47527	1.4
53.03952	22.5
53.57011	1.4
55.01867	5.7
55.05504	3.5
57.03433	3.5
61.02933	3.3
66.99277	1.4
67.05496	1.6
68.99776	3.0
69.03439	18.9
69.07069	1.7
70.17368	3.1
70.17760	3.5
71.04990	6.4
73.02931	9.5
79.05515	1.8
81.02972	2.9
81.03424	47.6
81.07059	2.3
83.04963	3.6
84.15847	1.5
85.02909	56.7
85.03424	2.7
86.09702	1.9
87.00838	31.7
87.04484	1.4
91.03976	1.7
91.05487	3.2
93.07040	2.6
95.05002	3.3
95.08624	3.3
97.02276	2.9
97.02901	58.1
99.04461	25.3
103.03970	8.8
105.01879	25.3
105.07040	3.3
107.04935	2.1
107.08585	1.9
109.02888	98.1
109.06539	1.6
115.03980	2.2
117.01781	3.3
119.04984	2.0
121.10144	1.6
127.03927	100.0
129.01836	5.7
137.05974	6.9
145.04974	30.0
145.06229	2.6
145.06480	2.2
147.02876	2.6
147.04465	2.8
156.27831	1.3
159.02895	22.6
163.06027	5.8
163.18472	1.4
165.09135	2.5
167.07047	1.7
175.03909	1.6
175.07516	1.9
177.04050	2.1
177.05516	2.5
177.09068	2.6
189.09085	1.6
201.09047	3.3
207.06555	2.4
213.03909	14.0
228.93935	1.4
231.05019	28.3
242.25507	1.6
249.06061	5.0
253.07167	2.1
255.10176	1.6
271.97003	1.5
273.11255	4.2
291.12289	2.7
377.12109	1.8
432.50256	1.5
440.64355	1.4
547.87146	1.5
551.19238	1.5
574.30426	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	574.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01876	1.2
55.05513	10.8
57.03445	4.9
57.07079	33.2
57.49772	0.9
59.05031	1.3
60.86206	0.9
61.02944	0.9
65.03935	1.4
67.05508	43.7
69.07061	9.5
70.16904	2.0
70.17307	3.4
71.04995	18.2
71.08640	21.5
79.05491	10.7
81.07063	70.6
83.05007	2.0
83.08619	12.2
85.06549	6.0
85.10190	13.9
86.07714	1.0
87.04471	10.1
91.05484	15.3
93.07052	12.9
95.04959	1.8
95.08612	23.5
97.06558	2.7
97.10160	5.0
99.08074	1.0
105.07040	6.8
107.08603	7.1
109.10163	13.0
111.08073	1.7
117.07011	1.9
119.08606	1.1
120.38081	1.2
121.10161	2.7
123.11707	14.7
131.08560	3.1
133.10127	11.0
135.11694	1.7
149.13257	4.0
151.11211	6.4
157.10143	1.2
159.11681	4.0
169.12267	1.2
177.12790	1.8
183.13809	3.8
187.13354	2.6
190.21317	1.1
195.13786	1.5
233.19266	1.3
239.23805	1.6
257.17667	1.7
269.17505	4.3
283.26401	1.5
301.20160	20.6
313.27371	25.2
481.38937	100.0
495.40451	4.4
507.40222	3.8
539.43103	42.8
574.48438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
56.05033	0.9
56.96578	1.4
57.03442	8.3
60.35275	0.9
61.02938	2.2
69.03431	5.1
70.06586	1.7
71.50578	2.0
73.02925	15.0
73.55947	1.0
79.05506	4.2
81.03442	1.3
82.92993	0.9
84.04505	34.1
85.02903	8.9
89.03906	2.1
96.73655	1.0
97.02912	3.9
97.27308	0.8
98.97606	2.4
102.05547	13.8
106.06565	11.1
107.04957	9.8
109.02916	1.3
110.97697	0.9
112.04008	1.6
115.03953	1.8
116.04990	3.6
116.07103	1.0
116.98610	1.2
117.03416	1.2
123.83774	1.0
127.03935	2.1
128.17583	0.8
130.05019	15.8
132.06848	12.4
133.07626	10.2
134.06021	7.8
134.06918	1.2
135.04395	1.8
137.05960	1.2
144.08115	2.4
145.02881	1.5
147.04469	1.1
148.06084	5.0
154.06628	1.2
156.08096	5.6
158.04489	1.9
159.25652	1.0
163.03908	9.0
163.23811	1.0
164.04271	1.9
167.07115	1.4
171.09198	13.3
172.07607	1.1
172.63924	1.1
190.08716	1.7
199.08688	11.7
200.07167	1.9
202.08617	1.6
217.09698	5.5
219.01785	1.1
235.10844	2.6
236.09285	2.6
237.02809	2.0
245.09244	8.5
247.54500	1.0
263.10382	5.3
267.37299	1.0
274.86938	1.0
281.11340	100.0
282.11435	1.2
443.16638	83.3
575.20776	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	575.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01871	8.7
55.05521	8.7
57.03440	4.9
57.07071	2.7
60.32552	1.5
61.02918	2.6
65.03937	2.5
67.05500	13.8
68.20750	1.5
68.99789	3.4
69.03434	14.6
69.07061	6.8
70.22059	3.9
71.04995	3.1
73.02920	4.4
76.45271	1.3
79.05494	17.3
81.03409	14.9
81.07056	17.1
83.04970	6.8
83.08601	7.1
84.16835	1.6
85.02906	20.5
87.00852	11.7
87.74558	1.6
88.02976	1.3
91.05487	25.3
93.07043	14.2
95.04981	10.9
95.08603	8.2
97.02888	14.0
97.06541	2.7
97.10176	5.2
98.69592	1.4
99.04459	4.3
103.03957	2.8
103.05477	20.5
105.01877	3.4
105.07039	17.0
107.04956	10.8
107.08591	9.5
109.02872	10.0
109.06504	5.5
109.10145	3.5
111.04469	2.3
111.08094	3.0
113.05994	1.4
115.03933	2.8
115.04784	1.5
115.05447	9.5
116.06310	2.4
117.07031	14.0
118.52864	1.4
119.04955	12.2
119.08597	9.9
121.06474	7.0
121.10167	4.4
122.03674	3.1
123.04483	2.0
123.08073	2.7
125.06026	1.7
125.09631	1.7
127.03923	13.9
128.06224	9.8
129.01819	3.1
129.06993	6.7
131.04939	17.2
131.08568	11.4
133.06483	4.1
133.10147	7.5
135.08066	6.1
137.05983	54.2
141.07045	2.7
143.08568	20.8
145.04910	3.0
145.06490	10.3
145.10120	6.7
147.02885	2.0
147.04390	7.0
147.08073	3.4
147.11636	3.7
148.05205	5.2
149.05971	3.1
149.09598	3.7
151.03900	6.4
151.07532	24.4
153.07028	2.0
155.06088	1.6
155.08516	2.7
157.06429	2.7
157.10170	1.7
159.02922	4.4
159.08049	5.5
159.11729	3.9
159.47351	1.5
160.05200	3.9
161.05959	4.9
161.09616	4.1
162.06770	2.0
163.07547	18.7
163.11223	3.0
165.09151	9.1
167.07100	2.3
169.10167	1.9
171.08037	20.3
173.05980	3.1
173.09596	2.7
174.06876	2.0
175.03925	3.9
175.07547	17.0
175.11076	1.9
176.08333	2.7
177.09084	17.1
179.08551	4.5
179.10617	1.3
183.08006	1.8
183.11591	1.6
187.07494	3.8
187.11098	1.5
188.08351	22.2
189.09081	4.4
189.11195	2.7
191.10695	22.8
199.11259	2.0
203.10677	37.7
207.06467	10.1
207.08224	2.8
209.09688	1.8
209.11606	1.8
213.09335	2.0
213.11183	2.0
215.10716	3.3
224.08121	2.0
225.09067	2.1
227.10811	3.7
227.12781	4.2
235.07570	5.6
235.11147	3.7
238.09868	3.6
239.10634	2.4
243.10228	3.1
245.11742	2.2
247.07436	2.0
253.08421	2.2
261.08972	2.9
263.10638	2.5
265.08621	1.7
266.09247	2.6
267.10199	5.7
271.09818	1.9
273.18741	1.7
275.20062	11.3
279.10397	1.7
281.11761	6.2
283.09576	4.4
283.15369	1.8
284.10349	2.2
291.10300	2.0
291.19608	3.1
293.11633	2.1
295.13202	3.1
297.10992	2.0
298.12241	2.8
299.12756	26.2
305.11685	2.1
312.13638	2.1
315.09879	1.6
319.13339	3.0
322.12280	1.7
327.15887	100.0
328.16495	2.2
337.14331	8.8
339.16107	8.3
349.14078	1.9
349.23706	2.0
351.15811	11.2
363.16034	2.1
369.17160	4.3
417.17020	1.9
451.78036	1.6
470.20038	1.5
501.09122	1.6
507.57767	1.6
557.34558	3.7
575.35028	5.7
575.50305	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	575.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05511	2.9
56.05039	3.5
57.03439	0.6
57.07085	3.9
61.92381	0.4
67.05507	6.8
69.07063	3.2
71.05018	0.6
71.08636	2.2
76.61404	0.4
79.05492	3.2
81.03438	0.6
81.07058	3.5
83.04974	0.6
83.08611	1.3
84.08148	68.1
85.06546	3.1
85.10181	1.1
86.09710	1.4
87.04467	3.2
88.04839	0.5
91.05492	2.1
93.07048	2.4
95.08611	2.7
97.10175	1.5
99.70684	0.5
105.07040	1.4
107.08622	1.4
108.08145	2.1
109.10171	0.9
119.08623	1.4
121.06605	0.7
121.10184	1.2
130.08649	8.3
131.08598	1.0
133.10133	0.7
134.06058	2.0
136.07590	31.9
137.08372	1.8
138.09167	1.0
143.08604	0.6
143.41084	0.5
145.10162	0.9
147.08083	0.6
148.07588	1.2
150.09169	3.5
152.07191	0.7
160.07660	1.7
161.08382	0.6
162.09117	3.1
163.11305	0.6
164.10793	0.8
174.09158	0.9
175.09956	0.6
176.10704	2.8
176.14502	0.5
177.11621	1.3
178.08667	3.9
178.12306	1.2
180.06560	3.5
188.10764	1.0
190.08713	1.0
190.12340	0.9
192.10252	0.7
202.12236	5.0
204.10316	2.0
204.13957	1.6
205.10986	1.0
206.11647	0.6
214.12299	0.7
216.13873	1.0
220.13358	2.8
223.13312	0.7
227.12912	0.6
228.13962	0.6
230.15561	0.7
232.13448	0.8
240.24120	1.1
241.14490	0.6
265.15738	1.0
300.06873	0.5
313.27505	1.2
314.27692	3.2
400.35748	25.5
402.37366	8.3
402.42197	0.6
410.34225	3.8
428.35297	17.8
428.41086	0.9
446.36322	28.6
486.43127	7.9
529.44183	0.8
530.42456	1.3
531.45227	14.7
543.37067	0.8
575.44244	100.0
576.44623	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	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01882	1.7
55.05509	4.5
55.15760	0.6
56.05052	0.6
57.03435	5.8
58.90044	0.6
61.02931	10.3
67.05495	3.7
69.03434	17.6
69.07068	2.2
69.28316	6.7
70.06597	1.3
71.04996	2.4
73.02927	3.3
79.05502	4.1
81.03425	10.1
81.07060	5.9
83.01329	0.8
83.08610	3.3
85.02909	100.0
87.04473	2.5
91.03976	5.2
91.05482	4.8
93.07048	4.4
95.05003	0.9
95.08604	9.0
97.02899	28.7
97.06546	2.1
97.10189	4.8
98.20669	1.3
99.04446	3.4
103.03986	0.9
105.07031	5.4
107.08601	7.0
109.02895	8.7
109.06560	1.8
109.10162	8.8
111.08105	1.4
115.03944	1.3
117.07029	1.0
119.04939	0.8
119.08599	5.4
121.06488	3.1
121.10154	8.7
123.08102	1.0
125.09594	1.0
127.03925	30.0
133.10165	3.8
135.08080	5.0
135.11716	1.3
135.43782	0.7
136.07518	0.7
139.07552	5.7
144.06584	1.0
145.04970	46.9
145.10179	1.1
147.04437	1.2
147.08090	1.3
147.11694	2.0
151.07567	1.5
153.09099	8.7
154.45967	0.6
157.10219	0.7
161.09619	1.4
161.13313	3.5
163.06012	14.3
165.09143	2.2
175.11256	1.5
175.66724	0.7
179.10725	1.2
181.10080	0.9
189.16403	8.6
207.06540	1.1
217.13803	1.3
217.15881	22.5
235.16937	71.7
237.90326	0.8
248.95821	0.7
262.51392	0.7
289.09476	1.4
325.11383	1.1
379.21082	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	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12223	5.8
53.99271	4.9
55.01877	4.3
55.05504	10.9
56.57747	3.9
57.03437	14.4
57.07081	37.3
67.05494	18.2
69.07062	10.8
71.04977	6.8
71.08634	25.6
71.61283	5.4
79.05485	14.4
81.03424	59.8
81.07057	30.6
83.08611	17.0
85.10168	12.7
91.05482	13.7
93.07038	12.9
95.04962	24.6
95.08608	27.4
97.10210	5.0
105.07000	7.9
107.08632	7.4
109.10150	9.4
111.08058	6.8
115.40540	4.2
116.44899	4.9
119.08604	7.7
121.10124	4.9
129.06987	6.9
175.11169	8.4
193.12233	20.9
205.45135	4.5
260.16388	10.0
267.15933	100.0
296.18713	9.0
313.27390	86.6
505.38864	65.2
558.41339	19.1
567.38263	5.4
576.50476	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	576.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.1
57.03429	13.7
57.07083	33.8
58.71944	3.1
59.30674	3.5
64.32901	3.4
67.05501	24.8
69.07066	11.9
69.46383	25.8
71.08643	24.2
79.05494	9.2
81.03426	62.9
81.07061	20.7
83.08641	23.4
85.10184	17.1
91.05469	13.5
93.07040	12.1
95.04980	17.3
95.08598	23.1
97.02867	3.7
97.10167	9.9
98.21457	6.2
105.07041	13.5
107.04952	5.8
107.08590	4.7
109.10164	18.8
114.85038	3.6
119.08592	16.6
121.10121	5.3
123.11734	5.1
123.15271	3.9
125.09681	4.3
129.07036	4.0
131.08611	7.7
133.10187	7.3
135.11711	4.8
147.11673	5.1
149.09607	4.3
157.10161	9.3
161.74356	3.1
168.19806	3.4
175.11253	4.6
193.12245	22.1
197.21599	3.3
207.53055	3.8
208.56458	3.3
229.14380	7.1
267.15927	100.0
301.37476	3.4
313.27380	96.2
442.96915	3.4
505.38919	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40731	2.3
55.01868	3.1
57.03443	2.1
61.02917	2.8
65.03941	2.0
68.58016	2.0
70.06596	2.8
71.14845	4.1
82.19622	2.0
85.02898	4.6
86.22014	2.0
91.05509	2.7
97.02934	2.5
105.07008	3.2
107.04973	2.9
109.02891	6.1
119.04948	11.0
121.02877	30.8
127.46579	2.3
131.04967	3.6
145.02873	8.2
151.03867	3.5
159.04445	3.2
161.05981	3.0
163.03909	3.3
167.06981	3.2
168.12401	2.5
175.03983	3.5
177.01834	6.4
177.05463	3.2
178.58411	2.3
179.03409	4.6
189.01836	9.0
191.03398	7.2
195.02896	5.8
203.03485	12.6
205.01276	11.7
205.04973	2.6
207.02968	11.2
207.06444	2.8
217.04964	9.5
219.02939	7.0
227.03392	5.6
229.04984	3.8
231.02901	3.6
233.04555	2.6
255.02928	8.0
261.03992	2.7
267.06558	4.7
268.07248	4.4
271.48224	2.2
273.04056	2.5
279.06546	5.2
281.04462	3.2
281.08139	4.6
283.03162	2.1
283.05899	10.7
291.06641	3.2
293.07968	3.4
294.05188	12.8
295.06018	91.4
296.06586	5.9
297.07581	7.2
307.06052	33.2
308.06839	11.2
309.03992	9.4
309.07581	28.2
310.04755	15.5
311.05676	12.7
313.07147	4.7
319.06033	5.7
320.06693	4.6
321.07574	29.9
322.04791	5.0
322.08459	5.5
323.05521	100.0
323.08871	4.9
324.06061	5.4
325.07077	48.6
331.06216	2.5
333.07581	8.3
335.05478	13.2
335.09161	21.1
336.06635	3.3
337.07025	39.0
341.06613	7.5
345.07428	10.8
347.05386	3.6
347.09094	6.6
349.07040	33.4
349.10858	4.4
350.07709	2.5
351.05136	4.3
351.08636	12.1
352.09668	2.8
353.06586	69.3
355.08292	6.1
357.07248	2.5
361.06958	15.6
363.08597	28.5
365.06519	20.6
365.10352	4.1
367.08258	5.4
373.07230	11.1
375.04785	7.8
375.08801	6.3
377.06555	20.0
379.08200	16.6
389.06403	8.5
389.10739	4.0
391.08160	25.7
393.09525	2.6
395.07602	5.7
401.06531	11.1
403.07837	13.3
403.19275	11.5
407.07596	45.8
409.09155	35.2
413.09869	2.6
415.08572	3.4
417.09668	5.6
419.07626	24.4
421.08984	11.4
427.10263	38.3
433.09241	3.0
437.08871	17.4
439.10229	23.4
443.07471	2.4
455.09717	8.2
457.11325	44.1
461.08893	4.8
463.10455	15.5
475.10266	3.5
481.11267	82.5
487.10437	6.2
493.11273	13.2
505.11145	9.8
511.12436	30.9
523.12329	36.0
541.13507	54.6
559.14404	20.0
577.15552	3.9
577.23798	4.1
577.31891	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	577.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.01873	9.2
55.05513	14.5
57.03431	7.7
61.02915	3.2
62.47270	3.6
67.05505	41.1
69.03421	12.1
69.07065	12.7
69.64597	19.7
71.04990	4.2
73.02921	7.5
79.05492	51.5
81.03441	17.3
81.07050	41.8
83.04987	6.8
83.08627	10.0
85.02904	10.0
85.06512	4.4
91.05488	44.4
93.07047	70.3
95.04956	9.9
95.08608	33.9
97.02911	6.9
97.06526	4.9
97.10187	6.2
99.04475	7.0
99.08083	3.0
105.07024	57.1
107.04962	8.9
107.08601	37.0
109.02895	14.8
109.06523	5.4
109.10166	18.7
110.03638	5.5
110.10496	2.9
111.04466	9.2
111.08081	3.0
117.03387	3.2
117.07022	15.8
119.04961	5.3
119.08576	45.4
121.10151	32.4
127.03934	9.0
129.07030	9.2
131.08551	24.0
132.99573	3.1
133.10124	37.7
135.11685	28.5
137.09586	3.6
143.08582	7.8
144.09258	3.1
145.02805	6.6
145.10123	23.6
147.04443	5.3
147.11673	43.3
149.09637	6.7
149.13232	20.2
155.08565	3.8
157.10126	8.2
159.11676	16.4
161.13249	31.2
163.11215	7.0
163.14835	4.7
171.11647	10.4
173.13231	7.8
175.14871	11.2
177.05492	13.4
185.13255	12.6
187.14972	4.6
189.12810	4.0
191.00117	5.7
199.14772	5.6
213.16537	4.3
217.19580	3.2
231.21106	7.2
241.19542	28.8
259.20584	77.2
259.23297	4.5
267.16019	4.0
275.19919	4.7
277.21625	10.7
301.21298	4.8
333.24280	11.2
349.23563	4.7
351.25296	100.0
355.07175	3.2
383.14938	3.6
525.37610	3.3
559.26001	3.9
559.36224	6.8
577.37061	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35575	2.7
52.78404	2.4
53.03938	6.3
55.01872	6.7
55.05515	49.5
56.84147	2.6
57.03440	9.1
57.07087	5.7
61.63026	2.6
65.03925	6.8
65.85580	2.4
67.05508	87.9
67.05867	5.4
69.03418	6.0
69.07075	30.9
71.04997	7.1
71.34819	5.2
77.03901	4.2
79.05496	52.5
81.03435	5.1
81.07059	100.0
83.04977	7.3
83.08620	26.0
84.88762	2.9
85.06541	6.3
91.05482	49.4
93.07044	69.7
95.04978	9.1
95.08611	64.9
97.02895	3.2
97.06518	7.4
97.10178	24.5
99.00822	7.7
99.08114	4.4
105.07039	48.1
107.04945	9.0
107.08601	42.8
109.02864	11.0
109.06493	5.5
109.10149	36.8
111.04468	4.9
111.08092	6.1
117.07018	16.5
119.08566	27.2
121.06490	7.5
121.10152	27.7
123.08116	5.1
123.11690	14.9
125.09628	22.0
128.06223	3.4
129.07022	9.8
131.08574	27.1
133.06488	3.2
133.10130	41.0
135.08060	6.5
135.11702	20.0
141.07010	3.9
143.08582	13.8
145.10118	20.9
147.08032	3.0
147.11687	14.9
149.02347	3.1
149.09636	3.8
149.13254	10.3
151.11185	10.5
153.12740	3.8
155.08615	5.7
157.10153	10.2
159.11650	16.0
161.09615	11.6
161.13274	8.6
163.11209	4.5
163.14841	5.3
169.10133	6.8
171.11703	8.0
173.13269	11.8
175.14876	6.8
176.48494	2.7
179.08426	4.0
179.10739	4.2
179.14195	4.5
180.92896	2.9
181.12244	6.7
183.11673	7.3
185.13290	5.9
187.14824	8.0
189.09189	6.1
189.11220	9.6
189.12766	4.3
195.11801	3.8
197.13272	5.3
199.14851	5.4
201.12766	5.6
207.10155	3.1
211.14897	5.0
213.16403	3.2
225.11252	7.4
225.16435	4.8
227.12729	18.7
232.32063	3.5
243.12219	3.4
243.21097	6.0
250.22690	3.1
259.20505	6.0
261.22144	28.3
277.21628	9.8
279.23196	6.2
281.13824	4.9
283.15329	4.2
287.23642	5.2
299.14908	22.4
299.20157	3.6
301.25256	5.6
315.23212	10.6
317.24716	3.3
335.25818	25.5
421.25833	3.9
421.31064	8.4
435.32687	4.2
439.32303	5.6
449.30499	7.1
453.34036	2.9
457.32916	4.5
467.31863	17.1
485.32819	15.4
513.35620	11.9
519.36719	8.7
527.37201	11.0
531.36639	10.2
541.35162	43.1
545.38257	8.1
559.36133	36.1
577.37488	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29498	2.3
53.03935	4.4
53.55521	2.0
55.01868	7.3
55.05254	2.8
55.05510	42.8
57.03436	10.8
57.07068	2.5
59.06723	2.2
61.56509	2.0
65.03941	6.0
67.05504	88.6
69.03411	3.8
69.07072	28.2
71.04974	6.6
71.08619	3.5
71.60139	2.8
76.26499	2.0
79.05495	54.7
81.03416	4.2
81.07060	100.0
83.04967	9.0
83.08624	24.9
85.06535	6.4
91.05479	53.2
91.06016	1.4
93.07047	58.3
95.04946	8.9
95.08037	3.8
95.08611	59.5
97.02904	3.3
97.06508	6.0
97.10172	23.8
99.00801	6.6
105.04501	2.2
105.07030	45.3
107.04965	4.0
107.08590	47.5
109.02873	9.2
109.06521	6.3
109.10159	40.9
111.04423	7.1
111.08086	6.5
116.50631	2.2
117.07019	17.6
119.08576	32.5
121.06473	7.8
121.10148	28.6
123.07993	3.6
123.11713	18.0
125.09615	17.8
127.03920	2.6
129.07013	8.6
131.08563	23.2
131.20615	2.5
133.06441	2.9
133.10127	53.9
135.08058	5.5
135.11703	20.6
137.09608	5.1
137.13229	6.7
139.07640	2.7
142.10385	2.2
143.08556	12.8
145.10103	16.8
147.08073	3.6
147.11674	17.4
149.13261	10.9
151.11208	16.0
153.12718	3.9
155.08519	5.7
157.10127	10.4
159.11685	12.4
161.09654	16.2
161.13225	7.2
163.11163	5.7
163.14793	4.5
169.10152	7.4
171.08034	3.1
171.11694	10.1
173.11859	3.6
173.13196	11.7
175.14818	5.2
177.12808	2.9
179.10658	6.0
179.14302	2.7
181.10078	4.2
181.12216	3.1
183.11705	8.4
185.13239	3.8
187.14812	9.8
189.09119	7.6
189.11200	13.6
189.12666	3.4
189.16360	2.6
193.10274	2.9
195.11784	2.8
197.13277	4.2
199.14844	4.1
201.16467	3.1
207.10141	2.5
215.12636	2.8
225.11191	8.8
227.12741	20.6
243.12244	4.3
243.21135	6.1
259.20477	5.9
261.22092	22.3
277.21591	6.8
279.23288	3.7
281.13876	2.8
283.15298	2.9
287.23679	4.2
295.20557	2.6
297.22198	3.3
299.14777	24.2
299.20032	2.8
299.23511	3.1
304.10776	2.5
315.23099	9.5
317.24707	3.4
333.24185	3.7
335.25833	20.2
421.31122	8.9
427.31512	2.3
435.32349	2.7
439.32010	5.8
449.30365	6.7
457.33136	6.8
467.31415	16.6
485.32562	8.8
513.35626	12.2
519.36597	4.6
523.33948	4.0
527.37103	5.9
531.36707	14.5
541.35229	30.2
545.38300	9.6
559.36151	34.8
577.37207	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	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80803	3.0
53.03935	7.4
55.01859	8.6
55.05301	3.0
55.05513	38.5
56.96543	2.8
57.03427	13.3
57.07074	9.0
59.00972	2.9
59.04989	3.0
66.25981	3.2
67.05172	5.9
67.05508	88.4
69.03410	4.7
69.07070	32.3
69.93009	16.1
71.04979	11.6
71.08638	3.5
71.54408	2.6
79.05495	66.0
81.03419	22.3
81.07059	100.0
82.07418	3.0
83.04974	11.4
83.08635	21.2
84.04491	6.5
84.08865	3.3
84.41673	2.8
85.06528	9.3
91.04950	4.9
91.05476	62.0
93.07049	71.3
95.04995	17.0
95.08041	5.0
95.08608	63.7
97.06525	12.7
97.10172	20.6
99.08108	2.9
105.07036	51.4
107.04939	5.1
107.08598	44.4
109.06535	5.8
109.10159	38.0
111.08083	9.4
117.07010	22.8
119.08580	44.1
121.06512	6.1
121.10147	26.8
123.08036	6.9
123.11698	12.2
125.09627	17.0
129.06966	12.4
131.08574	35.0
133.06563	3.8
133.10158	34.8
135.07938	4.6
135.11690	13.7
137.09615	6.7
137.13263	3.7
139.11189	4.1
141.06953	5.2
143.08531	15.1
145.10124	27.0
147.11710	24.6
149.09616	6.3
149.13226	12.8
151.11205	5.3
155.08553	6.7
157.10118	11.7
159.11702	18.2
161.09637	6.2
161.13258	14.1
163.11238	5.4
163.14792	5.0
165.12764	4.0
167.10661	4.0
169.10083	9.4
171.11734	9.9
173.09723	3.3
173.13243	14.5
175.14873	5.4
179.14297	5.5
183.11728	5.2
185.13234	6.2
187.14777	8.1
189.09187	3.0
189.11145	4.8
193.12279	9.1
195.11659	4.8
197.13240	5.8
199.14816	6.4
209.13315	3.3
209.74817	3.1
215.14110	3.7
225.11151	3.6
227.12802	12.5
259.20605	3.0
261.21945	17.2
267.15930	13.6
287.23615	3.9
289.21552	5.3
293.21158	5.8
299.14920	5.7
301.25229	7.2
303.23074	4.4
335.25894	18.7
435.32608	8.6
453.33664	10.1
471.34741	6.6
527.37262	43.5
541.35736	5.4
545.38513	36.4
559.35895	9.8
577.38831	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01860	5.2
55.05512	32.9
57.03444	11.5
57.07074	3.1
59.04995	3.5
65.03926	3.6
67.05167	4.6
67.05507	82.7
69.03421	5.0
69.07076	26.0
70.02288	2.3
70.02593	13.5
71.04998	17.0
79.05497	58.8
81.03426	21.6
81.07060	100.0
83.04967	6.9
83.08623	19.1
85.06575	12.4
91.05481	48.8
93.07050	66.1
95.04970	16.0
95.08037	4.4
95.08609	65.0
97.06531	10.3
97.10178	14.0
99.08099	3.0
105.06384	3.2
105.07037	57.3
107.04962	4.9
107.07928	4.0
107.08591	36.6
109.06493	8.1
109.10167	32.7
111.08035	4.1
116.11238	2.8
117.07017	22.9
119.08584	42.8
121.06522	6.2
121.10148	29.7
123.08060	6.2
123.11727	11.7
125.09615	17.2
129.07024	13.3
131.08578	34.7
133.10139	29.3
135.08057	4.6
135.11676	15.1
137.09637	4.0
137.13284	5.5
139.11261	2.5
141.07022	2.9
142.07814	3.4
143.08568	10.3
145.10118	28.6
147.11685	25.2
149.09607	9.7
149.13240	10.1
155.08572	5.9
157.10147	14.3
159.11716	17.5
161.09679	4.5
161.13275	12.9
163.11127	5.7
163.14876	4.3
165.12720	4.0
167.10692	3.6
169.10107	8.2
171.11642	9.8
173.13252	11.7
175.11183	5.4
175.14757	3.9
181.10214	3.9
183.11685	7.0
185.13220	8.4
187.11191	2.9
187.14778	7.7
189.11215	8.5
193.12239	8.4
195.11707	3.5
195.13663	3.1
197.13290	4.5
199.13293	3.4
201.16461	4.4
213.16484	4.0
227.12839	14.6
229.14322	3.5
239.16391	4.4
243.21252	3.0
259.20602	4.3
261.22137	10.3
267.15897	23.7
271.20663	2.9
279.23239	2.7
285.22177	3.7
287.23703	4.0
289.21548	4.1
301.25256	10.2
303.23306	4.6
305.24774	3.5
317.24738	2.6
335.25836	17.9
341.25073	2.7
353.24707	2.5
359.25772	3.3
363.25339	9.1
417.31323	8.5
435.27393	4.5
435.32620	15.9
453.33505	13.9
471.34464	8.9
509.36136	4.0
527.37354	54.7
545.38354	44.6
559.39258	7.9
577.39178	14.6
577.49652	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	578.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01866	1.8
55.05497	1.0
57.03429	1.3
57.07076	0.9
58.99576	1.5
61.02933	0.7
65.03915	0.6
67.05503	1.7
69.03429	39.0
69.07060	2.4
69.57925	3.9
70.06577	1.5
71.04993	1.2
73.02911	1.3
76.02235	3.3
79.05497	2.2
81.03418	5.2
81.07067	3.4
83.04978	2.6
83.08624	1.1
84.08150	0.6
85.02911	12.2
85.06532	1.6
87.00827	3.8
87.04471	0.8
89.03934	0.5
91.05474	2.4
93.07040	2.6
95.04949	0.6
95.08605	6.0
97.02891	3.3
97.06524	1.3
98.97608	0.9
99.04446	2.0
100.07590	0.6
105.00079	1.1
105.01886	3.0
105.07027	3.6
107.04943	1.0
107.08591	8.6
109.02885	5.0
109.06487	3.0
109.10168	1.4
110.33784	0.6
111.08088	1.9
117.01881	0.7
119.04923	0.5
119.08588	3.3
121.02840	1.7
121.06516	1.3
121.10136	10.2
122.02723	11.3
123.08067	1.7
123.11723	6.5
125.09634	12.7
127.03921	6.6
129.01874	1.2
131.08568	3.6
133.10126	2.6
135.08057	8.4
135.11694	4.9
143.08534	1.0
145.02870	1.0
145.04976	3.5
145.10141	1.8
147.11655	2.9
148.12483	0.6
149.09624	8.1
149.13232	2.6
151.11159	1.0
153.09111	5.3
158.10910	2.1
159.02893	2.5
162.05669	0.7
163.11188	2.1
163.14819	3.8
165.12741	2.1
167.10674	0.7
173.13271	15.6
176.12025	0.7
177.05482	1.5
191.14311	67.2
192.14648	0.6
207.06575	0.8
209.15370	100.0
212.03659	0.6
223.11523	2.5
231.05037	1.8
241.12671	3.0
241.14635	0.6
254.09163	0.6
284.09262	2.7
295.05820	1.8
296.06479	3.0
297.41983	0.7
307.05893	1.0
308.06451	1.2
309.07120	0.7
321.07578	1.1
322.07904	2.0
323.08508	0.8
325.07019	1.8
326.07513	2.7
330.17267	4.3
337.06815	1.2
338.07272	1.2
349.06787	0.7
350.07367	1.4
362.07278	0.9
380.08636	2.8
392.08401	1.5
404.08371	1.3
410.09415	0.9
422.09680	1.0
427.09949	0.8
428.10443	2.2
440.10760	0.8
458.11523	3.5
482.11658	2.2
500.12711	1.2
512.12622	0.8
524.12396	0.9
542.13873	1.1
560.14319	1.1
578.23407	1.2
579.16095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01862	1.2
55.05505	1.2
57.03430	1.0
57.07066	1.0
58.99581	0.8
61.02913	0.8
67.05493	1.8
68.25724	0.4
69.03436	38.9
69.07079	3.2
70.06572	1.1
70.12508	2.4
71.04985	1.6
72.08163	0.7
73.02906	0.5
74.10712	0.5
76.02247	3.1
79.05482	1.6
81.03417	5.4
81.07061	3.5
83.04968	2.2
83.08615	1.1
84.08130	0.8
85.02908	11.2
85.06550	1.8
87.00835	3.9
91.05470	1.9
93.07046	2.8
95.08619	5.4
97.02921	3.2
97.06525	2.1
99.04426	1.9
101.64931	0.5
105.00079	0.6
105.01883	2.9
105.07010	3.1
107.04983	0.8
107.08601	8.6
109.02875	5.0
109.06522	3.6
109.10143	1.9
111.08076	1.7
116.98589	0.5
117.07043	0.6
119.08602	3.2
121.06504	1.5
121.10150	8.5
122.02744	8.5
122.73047	0.4
123.08070	2.2
123.11708	5.7
125.09644	14.8
125.50314	0.5
127.03910	6.5
131.08597	3.9
133.10109	3.8
135.08069	7.5
135.11670	4.9
137.09654	0.7
143.08530	1.0
145.04955	2.1
145.10143	2.9
147.11703	2.3
147.90436	0.5
149.09615	5.7
149.13252	2.8
151.11241	1.0
153.09122	5.6
158.10909	2.4
159.02896	1.7
163.11136	1.8
163.14815	3.3
165.12749	1.9
167.05287	0.7
167.10631	1.4
173.13272	15.7
176.12004	1.0
190.05328	0.9
191.14316	63.2
192.14667	0.6
207.06418	0.9
209.15375	100.0
210.15727	1.4
223.11555	2.5
231.05032	1.6
241.12566	2.2
268.60510	0.6
284.06348	0.6
284.09219	0.6
295.05991	1.5
296.06339	1.5
330.17358	3.4
338.07443	0.8
436.83734	0.6
458.11856	0.6
578.22968	1.6
579.16302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01873	2.4
55.05508	14.3
57.03439	10.3
57.07069	3.8
58.30819	1.6
61.50573	1.8
67.05506	44.7
69.07070	14.2
70.58671	2.8
70.59042	3.5
71.04982	3.3
79.05493	36.1
81.03401	1.9
81.07061	39.4
83.04971	3.6
83.08634	9.5
85.06525	2.0
86.65737	1.8
90.21978	1.7
91.05485	17.4
93.07047	48.1
95.04975	4.8
95.08610	48.1
97.02881	2.1
97.06497	2.3
97.10198	2.9
99.04430	2.6
105.07003	11.0
107.04972	5.4
107.08595	32.8
109.10149	11.1
117.07019	7.5
119.08593	13.7
121.06481	3.6
121.10135	17.6
123.11695	3.3
125.06033	1.8
127.07513	1.6
131.08554	5.5
132.75607	1.7
133.10114	7.2
135.08035	2.7
135.10675	2.6
135.11690	34.7
145.10143	20.0
149.13266	2.7
159.11836	1.8
161.13348	2.0
163.11195	37.0
181.12209	7.8
227.12798	62.7
261.22156	5.7
283.15408	37.4
297.03778	1.8
314.07938	2.0
335.25809	100.0
336.26132	2.3
379.70905	1.6
429.72064	2.0
528.37439	2.7
543.36859	48.6
546.38373	3.1
578.40808	3.0
579.38452	3.8
599.28436	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	579.1346
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
60.30500	0.2
69.03409	0.3
69.94642	1.0
84.29069	0.2
153.01819	0.6
178.02571	0.4
242.05731	1.6
258.05240	1.5
270.05243	7.5
273.03937	1.0
286.04779	1.6
287.05539	3.0
299.05453	0.4
301.03534	1.5
302.04239	2.1
313.03455	0.9
315.04996	30.2
316.05719	4.7
331.08130	100.0
332.08493	1.4
493.13446	1.8
530.83972	0.3
561.12598	0.3
579.13556	2.0
590.64423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.135
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03920	0.6
53.81624	0.2
55.01840	0.6
56.96531	0.2
57.03411	0.4
61.02908	0.3
67.05459	0.2
68.34440	0.2
68.99749	0.2
69.03435	1.6
70.84816	0.3
70.85116	0.2
71.04973	0.3
73.02906	0.3
81.03427	2.2
85.02920	2.5
86.82305	0.2
87.00822	1.2
91.05441	0.7
92.96149	0.2
97.02883	1.0
99.04427	0.8
103.03918	0.4
103.05403	0.2
105.01866	0.4
105.06979	0.2
107.04926	0.3
109.02878	1.2
117.01812	0.2
119.04936	1.0
121.02853	0.2
127.03924	2.2
145.04991	0.8
147.04367	0.5
151.03885	0.4
153.01869	0.9
154.02612	0.2
159.02911	0.8
163.05981	0.3
167.06996	0.9
175.03889	0.8
177.05476	0.3
178.02492	0.2
179.07013	0.2
181.05016	0.2
203.00194	0.2
207.06514	1.7
242.05708	1.1
253.04872	0.2
258.05222	1.8
267.06729	0.8
269.82065	0.2
270.05246	7.8
271.06024	6.2
273.04022	1.1
286.04724	1.2
287.05505	2.9
297.07550	0.7
299.05499	0.9
301.03403	1.6
302.04175	2.0
307.09775	0.2
313.03430	0.7
315.05002	29.3
316.05734	3.9
321.07617	0.4
331.08130	100.0
332.08423	1.3
351.08597	0.2
381.09695	0.3
382.09738	0.2
399.10507	0.2
417.15616	0.2
579.21869	0.2
579.32086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1715
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
53.31900	0.8
55.01855	1.2
57.03445	7.4
69.03415	1.4
70.25277	2.6
71.04997	34.6
75.04476	1.4
81.03400	1.1
85.02911	38.8
91.05470	1.0
93.16553	0.8
103.03977	0.7
109.02841	1.9
111.04510	0.8
115.75633	0.7
119.04932	2.2
121.02865	8.6
129.05478	5.7
140.42281	0.7
145.02841	3.4
147.06497	1.0
149.02336	2.0
155.63742	0.7
163.03995	3.5
165.01843	10.9
167.03375	2.6
167.06012	0.7
167.07089	7.2
177.05522	0.7
181.04962	2.5
183.02911	1.5
187.03932	1.2
191.03238	1.1
195.02902	1.8
215.03345	1.2
229.04897	1.2
233.04320	0.8
239.07133	1.4
243.02943	1.5
256.07184	1.2
261.04034	0.8
267.06583	10.9
270.05179	4.2
271.05978	8.7
279.06546	2.0
281.08047	8.8
283.06024	97.9
284.06805	10.4
293.08176	0.8
295.06009	13.0
295.09613	3.1
296.06674	1.1
297.04022	0.9
297.07547	2.5
305.08078	2.6
307.05984	2.6
308.06726	2.0
309.04126	2.1
309.07559	25.0
311.05322	0.9
313.07062	100.0
314.07520	1.1
321.07480	3.6
323.05511	0.8
323.09116	19.6
325.06934	1.5
331.08044	1.5
333.07526	3.7
335.05502	1.0
337.07059	49.3
338.07211	1.3
349.07086	12.4
351.08612	3.5
361.07104	10.9
367.08115	32.4
379.08154	21.0
387.14307	1.3
397.09195	23.7
415.10281	44.7
433.11334	53.4
434.11853	1.3
483.12708	1.0
495.13144	1.2
543.14703	0.8
579.21356	3.6
579.32660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1712
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
55.40751	1.7
57.03430	4.9
59.05005	2.3
61.02915	3.1
62.57812	1.8
65.03942	2.6
67.43101	1.8
69.03069	2.2
69.03426	25.5
69.77735	10.0
70.06592	4.6
72.91628	2.0
75.04454	2.0
76.07787	1.8
79.05508	3.5
81.03400	4.1
81.07061	2.0
84.04486	2.3
84.08138	6.0
85.02923	9.3
86.09716	2.7
89.03922	1.6
91.05483	4.8
93.03388	1.9
93.07007	2.3
94.89670	1.6
97.02897	4.6
100.54173	1.9
105.07046	4.6
107.04977	4.2
109.02882	4.1
111.04414	3.1
115.05435	3.9
117.07009	4.6
119.04932	12.6
120.05430	2.3
120.43051	1.9
121.02867	35.9
123.04437	7.9
124.05184	2.0
127.03939	2.7
131.04898	3.1
135.04442	3.2
137.05905	2.1
145.02850	6.8
145.06474	8.1
147.04411	4.9
155.06018	3.6
160.70882	2.0
161.06013	2.5
163.03918	5.6
165.01825	5.2
167.07047	79.8
171.04474	2.6
173.02318	2.2
173.06000	17.3
175.03842	4.3
177.01859	3.3
177.05476	4.1
179.03397	3.0
179.06973	2.2
181.04964	18.7
189.01865	8.7
191.03333	4.7
195.02882	6.2
201.05421	2.5
203.03412	10.5
205.04794	2.0
207.02853	7.1
207.06511	5.3
215.03369	3.7
217.04979	3.6
219.02788	7.1
221.04533	2.8
229.04893	5.5
231.02957	2.4
233.04456	4.2
233.08176	4.7
235.09622	4.6
239.03430	3.2
246.14943	2.7
253.04648	1.9
257.04440	4.0
267.06476	5.4
268.07251	6.6
270.05304	6.3
270.78339	2.0
271.05948	3.6
273.03870	3.0
279.06573	6.2
280.07321	4.6
281.08109	9.6
283.06003	30.4
284.06775	5.1
287.05447	4.5
293.08093	4.6
294.05222	21.3
294.08334	3.5
295.06033	63.1
295.09271	3.9
296.06738	7.2
297.07532	15.5
299.05530	5.8
305.07990	2.4
307.06009	48.3
307.09494	2.0
308.06805	18.6
309.07578	28.9
313.07077	35.1
315.04965	19.5
316.05719	3.7
317.07990	2.3
319.06055	8.1
319.09579	2.3
320.06836	5.0
321.07571	31.3
322.08347	10.7
323.05435	3.8
323.09033	6.5
325.07077	100.0
331.08102	58.2
333.07541	6.8
335.05637	4.3
335.09131	15.8
336.06192	3.2
337.07050	80.1
337.11063	4.6
339.08502	5.1
345.07672	5.1
347.09076	13.6
349.07123	27.8
351.08594	24.1
353.06305	2.4
355.08075	21.5
357.07486	2.6
361.07034	11.5
363.08649	17.8
365.06512	2.4
365.10278	16.6
367.07980	9.2
373.07031	4.2
375.08621	22.2
377.10336	2.6
379.08145	47.9
381.09674	26.2
385.07590	2.5
387.08917	3.6
387.14359	11.7
389.10385	3.5
391.07999	16.8
393.09677	32.5
397.09341	3.0
399.10590	13.9
401.10104	2.4
403.08133	27.0
405.09604	9.0
409.09192	27.0
411.10764	40.2
415.10623	6.1
417.10809	3.7
417.15424	7.0
419.11160	2.8
421.09128	23.4
423.10736	5.9
429.11719	10.0
433.11389	5.6
439.10251	26.9
440.10608	2.4
441.11926	19.7
445.09109	5.7
447.11160	9.3
457.11359	41.7
459.13046	18.6
465.11877	26.3
471.10498	9.5
477.11932	2.9
483.12943	26.7
489.11920	9.9
495.12994	19.8
507.12958	24.5
513.13757	13.7
525.13922	26.9
543.15027	27.7
561.15802	12.9
579.20697	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Molludistin 2''-O-glucoside
Peak:m/z	Relative Intensity
50.55328	1.0
54.28469	1.0
55.05504	1.3
56.96550	1.4
65.03915	1.6
67.05476	1.4
69.03397	3.6
69.07023	1.2
70.06557	4.1
70.37485	2.4
70.37836	1.5
71.04980	1.8
79.05465	1.4
81.03381	4.0
81.07014	2.8
83.04931	1.6
84.04481	1.9
84.08121	2.5
85.02914	5.8
86.09662	2.4
91.05499	5.7
93.07008	1.3
95.04919	1.9
97.02853	2.5
97.06481	1.3
98.97596	1.9
105.06994	1.5
107.04903	3.8
107.08539	1.9
109.02876	1.9
110.07134	1.2
112.63557	1.0
115.05429	1.1
117.06969	2.1
117.10848	1.0
119.04959	6.0
119.08548	2.5
120.01288	1.1
121.02879	9.4
121.06525	1.1
121.10127	1.1
123.04408	2.1
127.03873	2.4
131.04878	1.1
133.40277	0.9
135.04427	1.2
135.07945	0.9
137.05936	3.1
145.02797	3.9
145.06445	2.3
147.04349	4.4
147.07994	1.3
149.05916	1.2
151.03836	1.3
161.05910	1.2
163.03848	2.4
165.01854	1.9
167.05655	1.8
167.07054	32.0
173.05986	6.6
175.03983	5.1
176.04141	1.4
177.05385	4.2
179.06906	1.7
181.04997	12.5
187.59732	1.2
191.03354	1.9
205.08434	1.4
207.06552	8.9
207.10144	1.6
208.06798	1.9
217.04825	1.4
219.06432	4.7
233.08128	1.6
243.06416	2.2
245.04285	3.7
255.06358	3.3
256.07196	3.8
261.07425	2.3
263.05374	3.0
263.88837	1.3
271.05920	4.9
283.02896	2.1
283.06006	39.2
284.03851	1.8
284.06796	32.4
285.07297	2.8
295.06064	8.7
297.04309	1.5
297.07571	22.9
297.52625	1.1
307.06030	1.7
308.06674	2.2
309.07437	8.3
311.05310	3.9
311.08786	1.7
313.07068	85.8
315.04697	2.8
319.09579	4.0
321.07764	1.4
323.05246	1.2
325.06870	6.3
325.10449	2.2
327.08572	2.3
331.08017	5.0
335.08939	4.4
337.03281	2.5
337.07092	38.4
343.08185	8.8
353.10120	2.4
355.08069	1.8
363.08661	10.6
367.07742	1.8
379.08170	1.7
381.09732	63.8
387.14124	4.3
399.10757	31.2
411.10507	3.1
415.10092	2.0
417.11725	100.0
418.11664	2.0
433.11099	1.9
440.58218	1.2
441.11615	2.5
475.12128	1.4
483.12711	2.2
525.13617	1.7
543.14636	2.6
561.15314	4.8
578.31848	1.4
579.16797	62.4
579.32349	7.8
580.17279	1.6
602.11169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	Molludistin 2''-O-glucoside
Peak:m/z	Relative Intensity
51.41731	0.9
53.03954	1.1
57.03400	1.0
57.33199	1.0
61.02922	1.0
65.03919	1.9
67.47318	0.8
69.03430	5.1
69.33247	3.9
69.33673	5.0
70.06583	2.4
78.04711	1.8
79.01832	1.0
79.05497	2.3
81.03421	3.2
81.07034	1.0
83.04972	1.1
85.02905	5.9
86.09670	1.0
91.05471	2.4
93.07081	1.3
95.04969	2.0
97.02897	2.2
98.97585	1.5
103.05432	2.1
105.06971	1.1
106.04155	1.5
107.04961	3.9
109.06472	1.2
111.04398	1.1
115.05447	4.0
117.03340	1.2
117.06995	4.7
119.04949	3.0
121.02864	11.5
121.06528	1.6
121.18240	0.8
123.04443	6.1
124.05239	2.5
137.05933	1.7
138.03210	1.1
145.02858	2.1
145.06467	8.0
147.04430	2.0
151.03891	1.7
152.04668	2.1
155.06033	2.5
161.06041	1.4
163.03914	2.0
167.07050	95.5
173.06003	18.8
175.03865	2.9
175.07581	1.3
177.05457	2.6
181.03349	1.4
181.04973	23.8
191.03389	1.3
201.05406	1.5
205.08629	3.8
207.06564	4.5
213.05431	2.2
217.05098	1.2
219.06537	5.2
227.07210	1.1
233.08070	6.4
235.09642	5.0
243.06505	2.6
245.04427	4.2
255.06516	2.9
256.07199	5.9
261.07584	2.4
263.05389	1.8
270.05151	1.1
271.05988	2.7
283.06018	44.3
284.06812	37.1
284.09961	1.7
285.07526	2.9
295.06036	8.8
297.07565	20.1
308.06738	2.7
309.07574	9.8
311.05469	3.6
311.08817	1.3
313.07062	99.4
319.09653	4.3
321.07477	1.9
323.05499	1.9
325.06982	7.6
325.10403	1.4
327.08603	3.3
331.07941	1.9
335.09122	3.9
337.07065	41.4
341.06583	1.6
343.08148	12.5
353.10233	2.1
355.08054	1.6
363.08658	10.8
381.09698	74.9
387.14380	16.3
399.10745	33.8
399.15860	2.0
417.11609	100.0
441.11557	1.5
475.12305	2.7
561.15656	4.5
579.16748	68.6
580.17224	1.5
599.59021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
53.03929	1.9
55.01858	3.8
55.05510	1.6
57.03437	8.2
59.06667	1.3
59.95255	1.3
61.02916	2.0
65.03928	1.5
67.05490	3.0
69.03426	3.8
69.60281	8.6
70.06573	2.5
71.04995	34.2
72.08138	1.7
79.05479	4.0
81.03397	2.7
81.07037	3.2
83.04985	2.6
84.08158	3.0
85.02417	2.2
85.02910	38.6
85.06501	1.4
86.09689	2.0
91.05461	6.4
93.07012	2.9
95.04977	1.5
95.08617	2.3
97.02872	2.2
97.06511	1.4
103.05476	1.9
104.34219	1.4
105.07013	3.2
107.04935	3.7
107.08579	3.2
109.02840	1.4
109.10187	2.3
111.04421	1.3
117.03387	2.2
119.04971	6.3
119.08606	1.8
120.08089	1.3
121.02842	2.9
121.06474	2.4
121.10146	2.5
125.09629	1.2
127.03895	2.8
129.05502	7.3
133.10091	4.8
137.05951	1.8
145.02884	3.1
145.10094	1.5
147.04420	6.2
147.06554	2.0
149.06007	1.5
151.03900	9.6
163.03931	1.7
165.01825	8.4
167.07031	9.4
175.03915	10.0
177.01930	1.6
177.05473	3.8
179.07080	1.4
181.04955	5.6
181.08711	1.6
183.02881	2.1
207.02539	1.3
207.06540	17.0
217.04883	1.3
217.08749	1.9
231.02814	1.7
237.66864	1.2
249.04045	1.1
261.25720	1.2
270.05179	3.5
271.05930	5.7
282.05270	2.5
284.06967	2.5
286.04593	1.5
292.07318	1.6
296.06836	6.9
297.07620	3.8
298.04709	15.0
300.06308	3.5
301.06958	5.1
308.06973	6.6
309.07617	3.0
310.04669	3.3
311.09189	7.1
312.06387	4.8
313.07059	74.2
314.07828	4.6
315.05014	7.5
320.06760	1.5
321.07867	1.4
323.08981	1.5
324.06271	16.8
325.07086	9.0
326.07736	2.5
327.08661	8.4
328.05841	13.0
331.08124	19.8
335.09201	2.1
336.06262	19.8
337.06958	5.9
339.04807	1.9
339.08658	23.8
341.10150	4.8
343.08136	57.3
344.08429	1.4
351.08618	29.9
352.05777	2.5
355.08170	7.3
364.05719	8.5
367.08121	73.1
368.08737	1.6
369.09735	4.7
379.08130	41.3
381.09338	2.7
397.09198	100.0
398.09598	1.3
415.10254	42.7
433.11340	97.0
579.32861	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	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01851	0.8
57.03419	0.4
58.76691	0.3
61.02895	0.4
65.03920	0.9
67.05493	0.9
69.03436	2.1
70.06580	0.4
70.30521	1.0
73.02893	0.3
78.04716	2.1
79.05486	1.5
81.03407	0.8
81.07053	0.5
82.04173	0.4
85.02896	3.1
91.05474	1.0
93.03368	0.5
93.07018	0.3
95.04970	0.7
95.08563	0.3
96.05747	0.3
96.51086	0.3
97.02886	1.2
97.06500	0.5
98.21382	0.4
98.58363	0.3
98.59090	0.2
99.98311	0.3
103.05479	1.6
105.07053	0.4
106.04181	1.2
107.04956	1.6
109.02853	0.4
110.03672	0.8
115.05460	3.1
117.07025	5.0
121.02857	0.8
122.03635	0.4
123.04436	5.6
123.86504	0.3
124.05233	1.7
125.05995	0.5
127.03917	0.6
127.05431	0.7
131.04881	0.3
135.04398	0.5
136.05138	0.3
137.05959	0.5
138.03081	0.4
142.02602	0.5
145.06494	9.2
147.04393	0.7
151.03922	1.4
152.04652	1.7
153.05292	0.4
155.06044	3.6
161.06053	0.6
167.07047	100.0
168.07372	0.5
171.06592	0.5
173.05989	18.0
175.07452	0.7
177.05513	0.5
181.04964	20.8
189.07785	0.3
191.07120	0.4
193.08664	0.4
195.06572	0.5
201.05505	1.0
205.08595	4.0
207.06541	0.8
209.08015	0.4
233.08113	5.1
235.09637	4.3
256.07581	0.4
283.06039	2.3
284.06802	1.3
295.06213	0.8
295.09570	0.4
297.07593	0.8
309.07513	0.6
313.07053	4.2
321.07770	0.5
325.07162	0.4
335.09235	0.4
337.06976	3.1
343.08136	0.4
363.08774	0.6
381.09686	3.2
387.14410	17.4
399.10547	1.4
415.10538	0.3
417.11499	3.7
417.16260	9.9
579.20776	49.3
580.20801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2075
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.01856	0.7
61.02947	0.3
61.91833	0.3
62.66180	0.3
65.03922	1.0
67.05493	0.9
69.03413	1.2
69.71355	1.4
70.06551	0.3
77.03902	0.3
78.04702	1.6
79.05476	1.0
81.03412	0.5
81.07006	0.4
82.04185	0.6
85.02901	2.2
91.05457	0.9
93.03412	0.4
95.04969	0.6
96.05762	0.4
97.02879	1.2
97.06544	0.5
103.05453	1.1
106.04149	1.3
107.04951	1.4
109.02882	0.4
110.03642	0.6
115.05460	3.1
117.07024	5.2
122.03575	0.3
123.04428	4.8
124.05220	2.0
125.05939	0.3
127.05413	0.7
131.04991	0.3
134.03598	0.7
134.18608	0.3
137.05968	0.6
142.02635	0.7
143.04863	0.5
144.05620	0.3
145.06493	8.8
147.04353	0.3
147.08057	0.7
151.03915	1.3
152.04715	1.6
153.05444	0.6
155.06042	3.3
160.05348	0.3
161.05978	0.3
167.07042	100.0
171.06540	0.7
173.05988	19.5
174.06633	0.3
175.07512	0.7
181.04965	22.0
201.05499	0.8
205.08607	4.4
207.06490	0.6
233.08109	6.3
235.09650	3.9
243.49257	0.3
320.58423	0.3
323.09149	0.3
341.66486	0.3
387.14395	19.0
417.15475	12.5
477.87247	0.3
561.69537	0.3
579.20752	50.5
580.21130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21360	0.8
56.35411	0.8
56.96571	1.5
65.25114	0.9
70.15768	2.0
70.16176	2.9
81.03389	0.9
85.02885	1.1
89.03899	1.7
91.05450	1.3
94.44348	0.8
107.04955	1.4
109.02908	1.0
115.05410	1.2
117.03373	1.1
117.05798	0.9
117.06986	1.6
118.05698	1.2
118.06538	20.6
125.05970	2.1
130.06561	1.6
132.08119	5.6
135.04407	2.0
135.09286	0.8
137.19415	0.8
140.51740	0.8
142.06602	1.3
143.07306	1.9
144.08093	11.4
145.02760	1.2
146.06010	59.6
147.04471	1.2
149.36319	0.8
150.96727	0.9
151.03925	1.7
159.09198	6.2
163.03918	8.5
167.07030	1.1
170.06018	4.8
177.05490	1.4
188.07063	100.0
205.09726	40.7
205.11674	1.8
213.07542	3.2
268.07523	1.1
361.84967	0.9
369.99377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75450	1.2
53.03939	4.1
55.01862	4.8
55.05510	11.2
57.03432	4.4
57.07069	4.3
65.03945	2.9
67.05508	71.2
69.03432	3.8
69.07076	11.4
69.94739	2.3
69.95149	5.5
71.05019	1.5
71.08606	1.3
73.02913	5.0
79.05499	36.3
81.03417	5.0
81.07061	71.4
83.04993	2.5
83.08640	6.1
83.34894	1.5
85.02901	3.9
85.06543	3.1
91.05489	17.9
91.44873	1.2
93.07050	42.9
95.04993	3.4
95.08611	59.5
97.02919	2.9
97.06555	2.1
97.10199	3.8
99.04468	3.3
99.08096	2.0
105.07041	17.2
107.08598	32.0
109.02887	7.7
109.06513	1.5
109.10163	34.2
110.03668	3.6
111.04467	3.9
111.08106	1.5
117.07009	9.3
119.08596	14.7
121.10156	32.1
121.55273	1.3
123.08126	1.4
123.11724	18.2
125.09649	1.7
127.03920	3.8
131.08575	21.1
131.98662	1.2
132.99539	1.4
133.10120	14.6
135.11694	25.6
137.09598	3.5
137.13248	6.1
139.11206	1.6
143.08577	2.5
145.10133	16.8
147.11699	10.0
149.13266	18.9
151.14835	2.3
153.12756	1.5
159.11707	15.8
161.13222	8.0
163.14796	10.0
165.12747	2.2
171.11717	2.1
173.13254	14.9
175.14891	2.2
177.12886	2.0
177.16412	5.6
179.14311	3.1
182.37086	1.1
184.69092	1.3
187.14862	7.0
187.16354	1.4
191.00058	2.8
195.17546	1.3
201.16409	3.1
229.96140	1.4
233.22643	3.4
243.21089	22.9
261.22153	100.0
279.23233	4.2
303.23120	1.8
317.24811	1.6
335.25851	16.6
353.26904	71.3
369.24384	2.6
377.26938	1.7
443.27719	2.2
451.21231	2.2
469.22495	2.7
535.27588	1.4
561.27020	3.7
579.21362	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	579.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01861	6.3
55.05515	34.5
57.03439	13.4
65.03928	6.2
67.05506	100.0
69.03416	5.8
69.07074	27.0
69.62637	7.0
69.63046	12.3
71.04983	5.5
79.05058	3.5
79.05496	55.5
80.51354	2.4
81.03409	11.8
81.06577	4.2
81.07059	85.8
83.04988	13.3
83.08632	13.4
85.02914	4.1
85.06539	4.4
87.10416	2.4
91.05482	49.7
93.07052	61.2
95.04988	12.6
95.08046	3.7
95.08611	60.0
97.06526	11.3
97.10179	16.2
99.08044	3.4
105.07034	35.4
106.17430	2.4
107.04950	7.0
107.08588	34.5
108.08884	2.5
109.06526	7.0
109.10152	41.5
111.04471	5.1
111.08066	8.8
115.05453	2.5
117.07021	19.3
119.08599	30.8
121.06530	6.4
121.10149	38.0
121.45659	2.5
123.08028	3.6
123.11701	8.6
125.09635	13.6
128.06195	2.5
129.06999	8.5
131.08568	23.5
132.59422	2.3
133.06422	2.2
133.10141	24.5
135.08003	5.5
135.11697	24.7
137.09616	3.8
139.11182	7.5
143.08525	6.5
145.06435	3.0
145.10147	16.7
147.08014	6.1
147.11636	14.2
149.09612	6.9
149.13184	6.5
151.11256	3.0
155.08572	4.7
157.10114	10.3
159.11713	15.3
161.09599	3.1
161.13246	4.1
163.11188	14.5
165.12708	5.0
169.10095	5.0
171.11720	6.2
173.09596	4.2
173.11752	6.7
173.13261	8.9
175.11134	4.1
175.14774	3.4
178.07698	2.7
181.10023	2.6
181.12178	7.0
183.11685	4.4
185.11745	3.0
185.13188	3.0
187.14809	6.4
189.11226	3.0
189.27501	2.4
191.10654	6.1
193.12260	5.5
195.11681	2.8
197.13275	3.0
209.11732	5.8
211.13277	6.9
217.14261	3.8
221.13313	3.0
227.12791	11.3
229.14398	14.3
235.17102	3.0
243.21048	4.2
245.13872	9.3
249.14598	3.2
257.18536	2.8
261.22263	12.3
265.14362	4.3
267.15945	4.3
277.21622	7.3
283.15372	9.9
285.22061	3.1
299.23782	3.8
301.16342	10.5
303.23233	3.2
315.23123	5.1
331.22150	3.2
333.24295	4.9
335.25879	20.3
363.25323	5.0
423.32285	3.0
433.30655	2.7
451.32132	6.2
469.33017	6.0
487.33832	4.1
489.35553	11.3
505.36591	3.2
525.35992	6.2
543.36560	15.5
561.37714	28.2
579.39172	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	579.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01866	7.1
55.05519	33.8
57.03438	12.5
57.07074	5.1
59.05009	2.2
64.53534	1.9
65.03930	2.7
67.05512	100.0
69.03421	4.5
69.07080	22.1
69.34858	16.9
71.04990	7.0
79.05497	52.9
81.03426	8.3
81.06572	4.2
81.07060	78.0
83.05003	9.7
83.08629	16.3
85.02912	3.1
85.06538	6.2
90.42573	1.9
91.05486	42.5
93.07053	63.8
95.04999	11.8
95.08614	47.3
97.06541	10.1
97.10173	13.3
98.20775	3.6
99.08112	2.1
105.07037	30.6
107.04958	5.9
107.08598	31.9
109.06525	7.5
109.10171	43.0
111.08090	6.2
117.07008	12.7
119.08585	25.8
121.06524	3.9
121.10154	39.6
123.08103	4.2
123.11729	5.6
125.09632	11.2
129.06989	5.1
131.08600	18.2
133.10156	18.4
135.08121	3.4
135.11673	16.1
137.09642	5.9
139.11198	7.5
143.08560	5.9
145.06427	2.7
145.10127	16.4
147.08011	3.1
147.11714	14.9
149.09666	10.5
149.13293	6.2
153.12820	2.1
154.60535	1.9
155.08612	3.7
155.10641	2.6
157.10133	5.3
159.08118	2.1
159.11676	10.0
161.13290	7.4
163.11201	11.1
163.14790	2.4
165.12732	1.8
167.10674	2.7
171.11705	4.6
173.09618	3.6
173.11723	8.1
173.13289	7.4
175.11279	4.6
175.14861	4.3
181.12289	2.5
185.11703	2.2
185.13287	3.4
187.14821	5.2
191.10759	2.0
193.12280	8.5
195.11722	2.6
209.11679	2.9
211.13263	6.9
227.12827	6.0
229.14343	8.8
241.19553	2.1
245.13927	7.2
259.15225	2.2
261.22195	10.5
267.15964	4.4
277.21729	5.1
283.15427	4.8
289.21445	2.7
301.16492	6.7
317.24918	3.5
335.25812	15.6
344.23029	1.8
345.24194	2.7
347.31339	2.2
363.25366	7.4
451.31915	5.1
469.33237	5.7
487.33817	5.2
489.35889	38.8
490.36792	2.2
525.35797	2.6
543.36768	12.0
561.37811	20.7
579.39575	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03934	2.7
55.01854	2.9
55.05264	1.2
55.05516	22.5
55.16541	1.2
57.03446	10.4
57.07064	5.4
64.72659	1.4
65.03930	3.0
65.70934	1.3
67.05511	46.8
69.03430	1.7
69.06721	1.6
69.07073	22.6
69.26627	13.4
71.04985	3.5
71.08642	1.7
79.05493	30.7
81.03424	3.5
81.07063	54.7
82.07355	1.3
83.04984	3.3
83.08633	16.9
91.05486	13.2
93.07050	39.8
95.04994	7.2
95.08615	54.3
97.02873	3.1
97.06542	4.8
97.10172	7.3
98.20722	2.9
99.04413	2.5
99.08117	1.7
105.07033	12.3
107.04963	5.3
107.08609	27.4
109.06518	2.3
109.10168	15.8
111.08060	2.3
117.07053	7.8
119.08595	11.6
121.06519	5.4
121.10149	14.1
123.11714	4.5
125.05949	1.3
125.09660	1.8
131.08524	1.7
133.10126	7.6
135.08066	1.8
135.11710	35.0
137.13271	1.6
143.08554	1.6
145.10121	18.3
147.11665	1.9
149.13263	1.9
153.12830	1.5
161.13297	2.3
163.11203	39.6
175.14789	1.4
181.12265	7.6
209.11708	1.5
227.12791	56.8
249.11031	1.6
263.23700	2.5
283.15399	34.6
289.10974	1.4
326.30249	1.6
335.25909	1.7
337.27374	100.0
338.27570	2.3
530.39185	4.2
545.38434	58.9
562.37982	7.8
580.39246	13.7
581.39899	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	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.05512	23.7
57.03441	18.3
67.05164	4.9
67.05506	66.1
69.03407	5.0
69.07062	16.9
71.60294	6.6
79.05494	39.7
81.03425	46.5
81.07053	54.9
83.04988	7.6
83.08633	19.9
85.02919	20.8
91.05481	31.7
93.07040	43.5
95.04963	14.3
95.08610	38.4
97.06540	5.3
99.08104	3.4
105.07028	21.8
107.08587	20.4
109.06554	4.7
109.10156	11.7
111.08074	10.1
117.06994	4.3
119.08592	20.1
121.10155	25.4
129.06984	4.3
131.08578	13.9
133.10120	13.9
135.11676	9.6
145.10121	9.0
147.11662	14.6
149.13292	6.1
157.10117	12.9
159.11681	5.5
165.12704	6.6
175.11128	9.7
193.12254	42.0
211.13269	45.0
215.88976	3.9
216.03816	4.2
227.12885	4.3
261.22281	6.1
267.15869	9.9
275.68439	3.9
283.15387	4.0
285.16913	49.4
335.25818	99.1
336.26212	8.1
344.90341	4.3
435.79019	4.3
511.20724	4.3
527.37231	6.8
545.38336	100.0
580.38611	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	581.15
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
51.98476	0.6
55.01883	0.8
57.03435	6.1
60.03836	0.5
61.02900	1.0
63.33187	0.6
68.99812	0.8
69.03412	1.6
69.72701	1.3
69.73100	2.5
71.01331	0.7
73.02923	12.2
81.03386	1.4
85.02905	3.2
85.42110	0.7
86.36980	0.6
93.03337	0.7
97.02888	1.6
98.21481	0.9
109.02882	0.9
115.03941	1.1
117.98489	0.5
121.02855	1.4
135.04373	2.7
137.02347	6.0
141.01836	0.8
149.02321	2.5
161.02312	3.6
163.03860	2.3
163.71071	0.7
165.01840	13.2
167.03447	3.1
175.03995	1.0
177.01811	1.7
179.03421	1.7
181.04945	1.5
183.02907	2.6
187.03896	1.8
191.03358	1.8
195.02907	1.7
203.03351	1.5
215.03316	1.4
220.54198	0.6
243.03027	0.8
245.04407	1.3
255.06560	1.5
263.98502	0.6
271.06094	1.1
272.06662	0.9
283.06009	9.6
286.04681	3.9
287.05505	7.2
293.08005	0.7
295.05927	1.6
297.07559	8.2
299.05493	100.0
300.06229	12.2
301.06906	1.1
309.07574	1.1
310.05008	1.3
311.05573	15.2
311.09122	2.0
313.03836	0.7
313.07181	3.8
321.07504	3.1
323.05453	3.2
324.06223	2.2
325.03622	1.8
325.07065	26.5
327.08667	0.9
329.06549	98.7
337.07034	6.5
339.08633	15.5
341.06573	1.2
349.07065	4.6
353.06561	45.4
365.06549	15.4
367.08142	1.8
377.06647	9.5
383.07608	36.5
395.07590	16.8
395.12756	1.1
399.15884	0.7
401.08838	3.4
413.08688	22.9
419.09979	1.7
431.09747	34.6
449.10779	34.2
527.12000	1.2
545.13123	1.0
551.85992	0.8
581.14587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1501
Annotation	Neocarlinoside
Peak:m/z	Relative Intensity
50.88471	2.9
54.91792	2.7
55.01869	7.6
69.20834	3.3
69.82191	3.1
70.21632	13.2
74.45132	3.0
85.10893	3.3
87.69564	3.3
92.75037	3.1
122.64026	3.4
127.55632	3.3
135.04416	16.0
137.02338	45.3
144.00500	4.3
161.02310	5.0
177.01782	10.5
177.31642	3.3
179.03412	4.9
189.01837	17.7
189.05414	4.2
191.03387	8.3
195.02936	11.6
201.05501	4.3
203.03413	22.0
207.02867	11.3
215.03398	7.6
217.04927	8.4
219.02878	4.6
229.04904	4.4
243.03055	4.5
250.85001	3.7
255.02939	4.7
283.06018	5.5
284.06424	3.7
295.06082	4.8
297.07437	6.1
299.05640	9.6
308.68359	3.5
309.07407	3.7
310.04709	28.7
311.05493	96.2
312.06323	9.1
313.07019	12.2
323.05551	80.2
323.09128	3.7
324.06262	18.8
325.06998	24.9
329.06586	6.1
333.07559	5.2
335.05563	11.5
335.09219	4.1
336.06256	7.2
337.07034	45.1
338.07693	12.6
339.08707	8.8
341.06546	85.3
349.07108	27.6
351.08762	21.2
352.05804	4.8
353.06570	71.4
353.10617	5.1
363.08633	13.8
365.06570	61.4
367.08218	31.8
369.89709	3.8
371.07578	10.2
375.08765	5.6
377.06506	30.9
379.08008	15.6
381.10162	7.4
383.07593	9.8
389.06470	7.3
391.07846	15.8
395.07657	100.0
401.06982	5.7
403.08475	6.2
405.09473	4.0
407.07593	37.5
413.08606	61.9
419.07431	17.9
421.08926	5.7
425.08694	59.1
431.09836	23.2
433.09302	3.7
435.10706	4.1
437.08936	19.9
443.09851	50.2
445.09140	3.6
449.08618	22.4
455.10071	16.9
461.10583	36.0
467.09818	39.9
473.10855	40.5
479.09787	7.8
485.10867	47.2
491.09479	15.8
497.10684	49.9
509.10797	40.1
515.11847	36.5
527.11884	63.5
545.13019	54.4
563.13965	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1502
Annotation	Orientin 2''-O-beta-L-arabinofuranoside
Peak:m/z	Relative Intensity
53.61369	1.1
53.76649	0.9
55.01863	3.1
56.96584	1.2
68.99783	2.4
69.03420	3.4
69.28223	1.1
70.64153	2.7
70.64503	1.5
73.02876	1.0
73.67428	1.0
75.88551	0.9
79.05486	1.6
81.03415	2.0
84.08125	1.2
85.02898	2.1
91.05482	2.3
97.02902	2.6
105.07014	1.1
107.04978	1.4
109.02846	1.9
111.04464	1.4
116.48533	1.0
119.04935	1.6
121.02866	3.4
121.04037	1.4
129.10229	1.1
135.04398	3.2
137.02359	17.8
137.03401	2.3
140.24425	1.0
141.01854	1.6
144.43373	1.1
145.02707	1.2
147.04417	2.9
148.07535	2.2
149.02339	1.8
149.07930	1.7
151.03955	1.5
161.02353	4.8
163.03905	3.6
164.07060	2.9
165.01868	13.9
165.07396	1.5
167.03406	2.4
167.06970	3.5
173.07149	1.3
175.03923	3.6
177.01811	1.3
179.03365	4.0
181.04947	2.7
183.02921	4.2
191.03343	1.4
193.04820	1.3
195.02919	2.5
203.03394	5.2
205.04930	1.7
207.02924	1.8
207.06468	4.8
208.06859	3.5
216.31851	1.2
219.39322	1.1
231.02902	3.2
249.03847	1.5
255.06389	1.8
256.66513	1.2
271.06097	1.8
272.06772	4.3
283.05902	8.1
286.04706	2.1
287.05548	7.1
289.03381	1.4
295.05847	5.8
297.07599	14.7
299.05505	100.0
300.06293	19.7
309.07712	7.1
310.04910	1.6
311.05499	23.2
313.03577	1.5
313.07007	25.6
321.07657	3.2
323.05505	7.9
324.06717	2.2
325.07065	41.8
327.05014	2.1
327.08621	6.3
329.06567	84.7
336.06329	1.1
337.07089	49.4
339.08578	3.6
341.06567	16.9
353.06561	66.6
355.07925	7.2
359.07596	4.1
365.06570	54.6
365.11288	1.5
367.08301	1.7
383.07623	76.7
395.07645	3.4
401.08752	12.2
413.08545	3.7
419.09747	35.6
426.33813	1.2
431.09671	3.8
449.10715	6.5
461.10846	18.8
473.11032	1.5
491.11905	15.6
498.05707	1.3
515.11859	40.7
532.20917	1.2
545.12921	91.4
546.12799	1.9
563.13965	26.3
581.14642	33.3
606.37506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01864	1.1
55.05502	0.6
55.67627	0.5
60.62758	0.4
61.02901	0.7
64.23750	0.5
67.05495	0.9
69.03425	2.1
70.06591	2.9
71.04984	0.5
71.61317	0.7
72.08131	1.4
79.05477	0.8
81.03416	0.9
81.07059	1.1
84.08138	0.8
85.02906	1.8
86.09716	1.4
91.05483	1.8
93.07027	1.2
97.02907	1.2
98.97661	0.6
99.04417	0.8
103.05462	0.6
105.07052	0.8
107.04942	1.3
107.08633	0.6
108.98122	0.5
109.02876	1.6
111.04463	0.8
113.82402	0.5
117.18767	0.5
119.04940	1.1
121.02892	0.8
121.06487	0.5
123.04485	0.8
127.03917	1.0
131.04904	0.7
132.33678	0.5
133.06473	0.8
135.08102	0.8
135.11685	0.6
137.05940	1.1
145.02805	0.7
145.06303	0.6
147.04459	1.3
149.05972	0.7
153.01811	1.3
161.05989	0.8
161.13261	0.5
167.07028	4.6
175.03903	1.0
177.05443	1.7
181.04973	2.1
191.07054	0.8
192.07492	0.6
193.08594	0.8
207.06554	2.3
209.08208	1.1
219.01857	0.6
229.04921	0.9
230.05667	0.6
242.05745	1.0
247.09637	0.7
253.05080	1.6
255.06538	34.1
256.07318	14.1
269.04437	1.0
270.05289	2.2
271.05972	1.6
283.05945	4.2
284.06772	16.4
286.04648	1.4
287.05630	4.7
290.22455	0.6
295.06088	0.6
299.05515	46.5
301.03439	1.8
301.06720	0.7
311.05478	6.5
312.06268	7.7
313.03461	0.7
315.05002	11.6
316.05832	1.3
325.06952	0.7
329.06555	15.6
329.10287	1.1
330.07330	6.1
331.08139	16.8
331.96573	0.5
333.13922	0.5
337.06937	0.8
344.05670	0.6
353.06525	0.8
365.06183	0.6
383.07635	1.1
401.16058	2.6
407.07648	0.6
419.09738	100.0
420.10364	1.0
515.12341	0.6
581.26526	0.6
581.35828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
69.03439	8.4
70.06596	6.4
70.64352	8.2
70.64686	6.0
71.04990	8.2
71.09811	3.7
72.08151	6.1
76.36948	4.1
79.05488	16.0
81.03432	7.0
85.02898	16.5
89.36912	3.4
89.90388	3.3
91.05468	14.4
95.04942	5.6
97.02910	8.1
98.97581	4.5
103.05476	19.6
105.07034	59.9
107.04961	21.8
115.05490	17.3
117.06983	4.7
118.04118	4.1
119.04891	4.1
121.06495	7.3
121.80221	3.4
123.04385	6.1
127.03883	7.8
131.04935	14.0
133.06500	60.0
137.02304	4.7
137.05988	7.2
145.02820	5.7
145.06493	5.3
147.04506	4.7
148.05251	4.9
149.06059	4.1
159.04416	4.5
161.05991	100.0
163.07503	7.8
167.07037	63.2
168.07373	14.2
169.07556	7.2
173.06003	7.3
176.04771	3.7
177.05484	19.1
181.04980	23.0
181.08611	8.2
184.67343	3.8
189.12944	3.8
191.07031	26.8
193.08603	50.3
207.06514	8.5
209.08066	7.6
303.05048	45.0
388.14725	5.0
389.15167	8.3
401.16437	5.2
419.16376	4.6
490.69293	4.1
491.28967	18.2
581.21082	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	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
57.94213	1.6
58.02331	1.6
58.38047	1.4
67.05509	1.9
69.03414	3.3
70.06595	4.0
71.60181	1.8
72.08146	3.3
77.76331	1.6
78.04694	2.3
79.05499	8.6
81.03418	2.8
85.02917	8.2
86.09704	1.6
91.05488	10.4
93.07023	2.0
95.04935	2.4
103.05476	10.8
105.07034	43.4
106.04170	6.3
107.04959	4.3
109.02859	1.6
115.05450	9.1
117.03412	2.8
117.06995	2.2
118.04131	3.9
119.04937	2.6
121.02847	1.7
121.06500	8.1
123.04448	3.3
124.05197	2.1
125.06036	1.8
127.03920	2.4
131.04863	2.8
132.05725	2.8
133.06506	36.2
137.05994	3.4
143.06073	2.7
149.05991	13.6
151.03922	1.9
153.05482	2.5
153.09129	1.9
161.05988	41.8
163.07468	2.0
167.07045	64.3
168.07564	2.2
177.05386	8.6
178.06293	1.9
178.54184	1.5
179.07114	1.8
181.04982	5.3
181.08643	5.4
187.07591	2.7
191.07027	4.3
193.08609	100.0
199.44362	1.4
205.08641	3.9
209.08110	17.7
211.09668	3.2
213.06679	13.1
219.10104	1.5
222.37848	1.6
223.09657	4.9
283.06000	3.2
285.06619	2.3
287.05518	2.7
295.05872	3.0
296.05981	3.0
297.07175	2.1
299.05432	6.2
309.06973	2.4
313.07077	2.4
321.07672	2.0
325.07138	6.0
326.07608	2.8
327.07428	2.1
329.06497	4.9
337.07043	2.8
339.07886	2.6
351.07678	3.6
353.06503	7.1
365.06537	2.2
369.13190	3.9
371.14615	2.8
381.08823	2.7
383.07538	9.5
403.17325	2.0
405.09152	1.9
411.09949	2.3
419.09589	6.5
431.44812	1.8
459.11591	2.0
467.12277	2.7
497.13229	2.8
515.14618	3.0
527.14343	3.3
545.15045	2.2
581.22058	3.3
605.30951	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	581.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.01867	3.6
55.05515	28.8
55.28208	3.5
57.03440	7.8
57.07077	15.5
59.04995	3.7
67.05508	71.6
69.03439	4.8
69.07068	30.2
71.04984	4.4
71.08643	8.0
73.02900	4.7
79.05494	32.4
81.03413	6.5
81.07058	100.0
82.87000	3.4
83.04968	4.9
83.08622	25.6
85.02901	4.0
85.06520	6.9
85.10182	4.0
91.05482	33.3
93.05515	4.1
93.07048	49.3
95.04977	11.2
95.08611	85.2
97.06528	14.4
97.10181	17.5
99.04446	5.3
105.07038	39.6
107.08593	33.7
108.50549	3.7
109.02880	6.4
109.06512	8.9
109.10168	44.8
111.08091	6.6
111.11714	5.8
117.07034	5.7
119.08588	40.4
121.06384	3.2
121.10152	54.4
123.08062	9.9
123.11728	25.2
128.06143	4.3
129.06932	3.4
131.08577	12.2
133.10147	52.6
135.08047	4.3
135.11679	21.6
137.09604	4.8
137.13263	8.4
141.07037	5.1
142.07840	4.4
143.08583	11.7
145.10132	16.4
147.08026	4.8
147.11693	17.5
149.09628	8.8
149.13258	13.3
151.11185	6.1
151.14819	6.8
155.08583	4.8
156.09383	4.1
157.10147	15.2
159.08133	4.8
159.11671	7.7
161.13283	14.0
162.28255	3.4
163.11218	3.9
163.14816	7.5
165.09102	8.7
165.16406	15.1
167.10684	19.3
169.10158	10.1
171.11668	11.1
173.13313	10.2
175.11259	4.3
175.14842	14.4
179.17891	8.8
181.10126	5.3
183.11726	5.5
185.13329	4.8
187.14835	5.3
189.12732	3.7
189.16420	6.2
191.00008	4.2
195.11736	8.4
196.04984	3.9
197.13234	8.0
207.11795	7.4
207.13669	5.1
209.13374	4.2
221.13493	4.1
221.15285	16.1
233.15364	6.5
245.22652	61.8
263.23740	78.4
267.17352	3.4
337.27258	35.7
351.09006	3.7
353.26917	4.4
355.27917	4.5
430.23746	4.3
472.29266	4.9
545.38855	3.7
563.28912	6.4
563.39087	6.7
581.40216	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
54.98584	2.9
54.98843	2.7
55.01855	4.6
55.05511	18.0
57.07079	8.5
59.05038	2.3
60.68188	2.6
67.05508	29.2
69.03439	9.1
69.07068	17.4
79.05500	27.2
81.03436	5.2
81.07055	36.3
83.04990	7.1
83.08627	8.5
85.06552	4.2
91.05486	42.1
93.07047	53.4
95.04946	15.8
95.08604	33.2
97.06555	8.4
98.45728	2.3
103.05505	3.9
105.07035	66.6
107.04977	4.2
107.08600	44.4
109.06534	8.9
109.10148	19.7
111.08134	3.9
113.09652	3.1
115.05457	5.1
117.07011	13.2
119.08587	60.9
121.06531	9.6
121.10143	52.9
123.08089	23.7
123.11719	8.2
125.06024	2.7
125.09651	3.9
128.06256	6.6
129.06969	11.8
130.07735	3.5
131.08569	32.1
131.43456	2.5
133.10138	55.0
135.08090	9.7
135.11723	17.4
137.09637	10.0
139.11205	3.2
141.07083	5.4
142.07785	14.2
143.08556	32.2
144.09346	6.2
145.10144	34.6
147.08023	18.3
147.11694	15.9
149.09608	19.5
149.13216	3.4
151.07536	19.1
154.07771	5.6
155.08536	12.0
156.09352	12.6
157.10144	40.3
158.10886	5.1
159.08101	7.6
159.11697	25.1
161.09627	12.5
161.13309	9.1
163.11218	5.5
165.07050	6.0
165.09087	21.8
166.07864	3.7
167.08592	10.0
167.10680	37.1
168.09328	5.4
169.10141	26.4
170.10954	7.9
171.11717	22.5
173.09616	6.1
173.13252	19.3
175.11258	4.9
175.14803	12.1
177.09251	3.0
179.08562	14.7
180.09367	5.4
181.10094	13.7
181.12329	7.6
182.10959	6.7
183.11678	18.1
184.12451	2.8
185.09714	6.8
185.13293	9.3
187.11281	6.0
187.14824	12.5
189.12827	7.5
192.09354	4.7
193.10234	9.7
194.10963	7.2
195.11780	18.5
195.13373	2.7
196.12569	7.1
197.09755	3.0
197.13245	15.5
199.11382	2.9
199.14909	11.0
201.16473	3.4
203.14307	13.1
204.73679	2.7
205.10161	3.8
206.10916	5.2
207.11743	14.1
207.13593	4.8
208.12544	7.9
209.09735	3.7
209.13356	20.7
211.11304	4.3
211.14857	11.2
213.12888	3.1
213.16432	6.2
215.14359	7.3
217.10225	3.2
219.11746	6.7
220.12573	5.8
221.13309	13.6
221.15446	51.5
222.13930	3.8
223.11186	3.7
223.14827	11.6
225.12704	2.9
225.16470	3.5
229.59589	3.6
231.11716	5.9
232.12450	3.1
233.13269	9.9
233.15500	18.7
234.14183	3.7
235.14876	5.2
237.12834	6.1
237.16522	7.1
239.18083	3.9
241.15945	3.0
241.19685	3.3
243.11742	4.1
245.13257	5.4
246.14198	4.3
247.14850	5.8
249.16451	5.8
251.14424	3.7
253.16101	2.9
257.13345	2.8
258.14197	3.3
259.14648	5.2
261.16455	6.3
265.15897	3.0
267.17712	3.4
271.14764	4.6
275.17950	3.9
277.19525	3.0
283.14700	3.5
287.20334	5.6
289.19592	3.0
293.19086	2.5
299.20377	2.7
311.20175	4.1
312.21011	8.8
321.22156	2.5
345.25830	2.7
353.26660	20.7
354.27060	5.8
355.27228	10.6
373.25452	6.1
441.27734	2.9
473.34091	3.9
553.40710	5.8
563.38934	19.4
581.29230	4.2
581.40002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.05502	6.3
56.67492	2.2
57.07078	3.0
59.05001	2.7
65.03944	2.7
66.36073	2.3
67.05508	13.7
69.03420	5.2
69.07064	7.8
70.70995	4.3
70.71380	5.3
79.05486	14.9
81.03384	2.0
81.07065	26.6
83.04987	5.4
83.08620	6.5
85.06518	3.6
90.42419	2.2
91.05482	31.6
93.07053	33.7
95.04976	45.1
95.08630	15.4
97.06535	4.4
97.96716	2.0
103.05455	4.5
105.07037	56.2
107.08591	36.0
109.06537	11.9
109.10199	10.2
115.05457	5.6
117.07027	19.8
119.04961	3.1
119.08591	56.3
121.06525	5.8
121.09390	3.4
121.10172	32.6
123.08052	14.1
123.11712	6.2
128.06229	14.5
129.07030	19.1
130.07794	8.0
131.08586	40.1
133.06506	4.2
133.10150	32.4
135.08055	15.4
135.11685	7.6
137.09601	3.7
138.10454	3.4
141.07051	10.6
141.08051	2.4
142.07811	20.3
143.08563	49.4
144.09380	7.4
145.06474	4.8
145.10136	53.3
146.07294	2.3
147.08040	9.0
147.11719	13.9
149.09619	7.7
149.13341	2.7
151.11159	2.6
152.06187	3.3
153.07014	6.7
154.07748	3.8
155.08554	20.8
156.09383	25.5
157.10152	43.2
158.10963	11.4
159.08063	13.9
159.11674	26.6
160.08806	3.6
161.09593	13.8
161.13275	3.1
163.11197	2.9
165.06993	6.2
166.07826	5.3
167.08563	9.3
167.10693	7.5
168.09370	9.6
169.10143	25.2
170.10881	6.4
171.08145	3.0
171.11708	32.7
172.08905	2.8
173.09677	13.7
173.13283	16.3
175.11229	5.4
179.08589	9.1
180.09361	5.3
181.10135	20.5
182.10921	9.1
183.08160	3.1
183.11697	29.7
184.12378	2.7
185.09653	7.3
185.13278	12.1
187.11148	10.1
187.14828	6.6
188.11977	4.2
189.09175	5.0
189.12753	9.0
191.08607	2.8
191.14314	8.5
192.09283	4.3
193.10089	15.0
194.10924	12.6
195.11723	26.8
196.12514	4.6
197.09630	7.3
197.13263	24.4
198.10449	2.2
198.14114	3.4
199.11179	14.9
199.14812	8.8
201.12767	7.5
203.14342	4.4
205.10164	3.6
206.10904	8.4
207.11711	15.8
208.12476	5.3
209.09641	5.3
209.13292	23.3
210.10405	3.9
210.14020	3.5
211.11253	10.4
211.14850	13.0
212.11909	3.2
213.12791	6.6
213.16476	4.5
215.14346	4.7
217.10100	2.5
217.15860	4.6
218.10858	2.7
219.11659	7.3
220.12494	4.0
221.13246	8.5
222.13940	4.0
223.11234	6.0
223.14774	13.3
225.12785	8.2
225.16315	2.5
227.14346	12.2
229.10306	2.5
231.11707	4.9
231.13756	4.0
232.12425	2.8
233.13332	11.5
235.14792	10.8
237.12663	3.7
237.16348	3.8
238.17076	3.5
239.14363	5.4
239.18094	3.2
241.15927	4.6
243.11635	3.0
245.13249	3.1
245.15498	3.1
246.13948	4.5
247.14745	9.4
248.15811	3.3
249.12721	3.9
249.16411	6.2
251.14336	2.7
251.18102	2.7
253.15881	6.3
255.17479	6.7
257.13226	3.0
257.19031	3.2
259.14725	4.4
260.15753	5.0
261.16415	5.2
263.14307	5.8
265.15927	3.0
267.17404	2.4
269.19199	3.3
271.16946	6.2
273.15793	4.8
273.18533	59.1
275.17798	4.8
277.15814	5.0
286.19287	5.7
289.15842	9.9
289.19052	4.0
291.17551	4.3
291.20969	4.7
297.18762	3.5
299.20181	27.1
302.19940	2.5
307.20575	4.1
311.20193	4.4
312.20737	2.7
319.20554	9.2
325.21655	5.5
337.21744	24.5
349.21625	2.8
351.23199	3.7
352.23990	100.0
353.24802	3.8
357.22040	2.5
363.23145	6.1
365.24808	7.6
401.28638	3.5
402.60931	2.5
406.28769	3.1
429.27530	3.8
434.27924	5.4
443.29303	3.2
444.30243	44.8
445.31027	3.4
490.34396	16.6
582.40564	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	582.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	32.6
57.07069	15.7
67.05503	56.9
69.07062	26.1
69.23388	9.8
70.34638	9.8
70.79207	21.4
71.08620	13.9
79.05480	42.2
81.07053	42.4
83.04963	11.6
83.08619	23.8
85.10202	9.5
91.05467	29.9
93.07039	45.6
94.76440	9.0
95.04956	26.0
95.08636	58.5
97.10167	16.0
102.68958	9.5
105.07020	41.9
107.04945	12.5
107.08586	36.8
109.10155	13.2
112.16943	9.0
117.06978	23.8
117.96761	9.7
118.71756	8.9
119.08572	37.8
121.10120	38.5
131.08556	21.3
132.57294	10.7
133.10114	14.1
135.11719	49.8
143.08562	19.2
145.10103	55.2
147.11617	9.3
157.10126	18.6
159.11661	10.6
163.11160	28.5
169.10065	11.2
171.11722	10.9
173.19951	9.7
183.11806	13.8
195.11662	13.9
227.12758	75.8
273.18475	16.6
283.15463	80.1
290.38901	9.3
299.20245	10.8
313.27435	57.4
339.29016	100.0
385.12280	9.9
399.29700	10.4
403.27701	9.9
444.29605	12.1
490.34433	9.9
521.38208	42.8
547.39990	50.1
582.40826	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37997	0.2
67.04241	0.2
70.68268	0.5
74.56485	0.2
85.02888	0.4
86.00487	0.2
88.06950	0.2
98.97592	0.4
105.07019	0.4
107.04948	0.2
108.70471	0.2
115.05476	2.4
116.04852	0.2
117.05766	1.1
118.06551	0.2
128.01393	0.2
132.08099	4.0
133.06537	0.9
134.87408	0.2
142.06535	0.6
143.07275	0.3
146.05984	0.3
157.68375	0.2
159.06825	0.8
160.07588	100.0
161.07980	0.7
163.03958	0.3
167.07114	0.6
177.05466	0.3
177.10249	14.5
209.08238	0.2
218.52771	0.2
218.70796	0.2
227.09169	0.4
245.05159	0.3
250.51524	0.2
288.25949	0.2
327.12653	0.2
351.18121	0.2
378.83371	0.2
383.92755	0.2
411.11349	0.2
428.90796	0.2
516.70245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91780	0.6
55.05514	0.8
56.96543	0.7
67.05517	4.2
69.03413	0.7
69.07068	0.8
70.03937	3.4
74.33640	0.7
76.17545	0.6
79.05503	2.1
81.03447	1.7
81.07062	2.3
91.05488	2.2
93.07057	1.7
95.04996	1.0
95.08611	1.9
105.07018	1.6
109.06557	1.1
109.10163	1.6
117.07018	1.0
119.08598	2.0
119.65343	0.7
121.06490	0.7
121.10181	0.7
133.10152	1.2
145.10092	0.8
147.05882	0.7
152.01364	0.7
152.21078	0.8
153.54993	0.7
157.23141	0.7
158.08524	0.8
171.10358	0.8
171.11821	0.8
183.11588	0.8
197.10835	1.0
204.10272	1.6
213.10234	1.1
216.10190	3.9
222.58377	0.7
223.12340	1.4
229.14343	0.7
230.11705	4.2
233.51656	0.7
235.12338	1.0
245.10405	3.3
246.11340	1.6
250.09738	0.9
250.13527	1.0
251.11765	4.2
252.14906	1.2
258.11288	1.9
260.11575	0.6
261.13882	1.0
264.11395	1.8
265.12177	2.2
276.12210	1.2
278.13037	1.5
280.14441	7.4
290.13120	0.8
291.13565	1.1
292.14502	1.5
296.14014	0.9
301.12131	1.1
304.11780	14.4
306.16068	3.8
314.12897	1.6
315.14047	1.0
315.17633	0.8
319.12952	5.2
326.13129	1.0
328.14447	2.4
340.14511	1.5
341.15454	1.5
342.16214	2.2
343.13007	2.8
343.16925	1.0
344.17758	1.3
356.17480	4.4
366.16016	1.0
372.13309	1.1
373.14148	1.2
374.14981	5.1
374.18958	0.7
386.14966	1.1
387.15976	2.9
390.16492	0.8
400.16553	0.9
401.17517	0.8
402.18213	10.0
403.19305	1.0
407.18665	0.9
421.20837	1.1
435.17920	1.5
436.19141	2.5
447.19055	1.0
451.21298	1.3
481.22491	2.6
495.19946	1.5
506.20645	1.3
507.21045	0.9
509.21747	2.2
510.21786	0.9
521.25427	0.9
523.23645	1.3
553.20447	1.1
565.24640	1.4
566.23090	1.1
568.23218	2.9
583.25568	100.0
584.26038	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	583.3608
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
55.05513	2.5
57.03427	1.3
65.83905	0.4
67.05512	7.1
67.25195	0.4
69.07072	2.0
69.23427	4.2
79.05495	3.5
81.07064	6.5
83.04974	0.5
83.08624	1.2
91.05487	2.2
93.07040	4.3
95.04961	0.7
95.08616	4.8
97.06498	0.7
98.20743	0.7
100.30321	0.4
105.07053	2.2
107.08571	2.1
109.10154	1.8
117.07043	0.7
119.08581	1.8
121.10152	2.3
123.11754	0.8
131.08580	1.1
133.10117	1.3
135.08113	0.5
135.11667	1.3
143.08569	0.6
145.10132	1.4
147.08022	0.5
149.09630	0.5
156.09395	0.5
157.10124	1.0
159.11673	0.5
163.11093	0.5
207.11908	0.5
211.53419	0.4
221.15451	1.0
249.10994	35.6
253.09575	0.6
305.13596	3.5
335.25690	1.3
420.79715	0.4
491.35455	0.4
499.94873	0.5
551.79016	0.5
583.36011	100.0
584.36328	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.6
51.02384	1.5
52.24426	1.5
53.03936	3.6
55.05515	14.7
57.07077	10.2
59.04996	3.7
65.03925	2.7
67.05511	20.5
69.03424	8.0
69.07073	16.4
69.24895	4.6
69.25313	9.3
77.03918	2.1
79.05499	22.7
81.03392	1.5
81.06571	1.7
81.07059	31.7
83.04979	5.1
83.08611	6.2
85.06534	5.9
90.86781	1.4
91.04948	2.9
91.05482	38.7
93.01082	1.1
93.07047	49.3
95.04964	8.1
95.08031	2.8
95.08611	37.4
97.06533	5.9
98.97574	1.7
99.05594	2.1
99.09232	5.6
103.05487	3.4
105.07032	63.0
107.08598	36.2
109.06490	7.2
109.10151	14.8
111.08124	2.4
115.05463	5.6
116.06229	1.8
117.07025	15.7
119.08590	70.4
121.06504	5.1
121.10151	36.3
123.08067	17.1
123.11739	4.1
125.06023	5.0
125.09692	2.8
128.06227	12.2
129.07004	12.9
130.07777	5.7
131.08560	27.0
132.09341	1.7
133.06512	2.2
133.10138	35.4
135.08067	10.2
135.11691	12.5
137.09607	10.3
137.60197	1.3
139.11194	1.8
141.07021	7.9
142.07779	20.6
143.08572	30.4
144.09322	6.9
145.10130	38.6
147.08058	16.1
147.11697	13.7
149.09647	6.8
149.13229	3.1
151.07539	18.3
151.11209	2.3
152.06218	1.5
153.07019	3.9
154.07802	3.4
155.08559	14.0
156.09352	15.9
157.10133	49.8
158.10916	5.7
159.08162	2.6
159.11694	21.5
161.09627	6.5
161.13284	6.2
163.11198	5.8
165.07068	7.8
165.09123	40.3
166.07784	5.1
167.08588	12.4
167.10680	8.0
168.09386	4.8
169.10149	22.9
170.10951	8.8
171.11694	29.0
172.12540	1.6
173.09662	3.4
173.13280	18.3
175.11247	3.9
175.14818	8.6
177.09117	2.1
177.12772	2.0
178.07811	2.5
179.08524	12.5
180.09302	5.5
181.10165	14.7
181.12212	3.9
182.10893	7.4
183.08037	1.5
183.11716	21.0
184.12497	5.7
185.09596	2.3
185.13278	17.0
187.11324	1.4
187.14873	6.9
189.07002	1.4
189.12798	4.2
191.08626	3.8
191.14279	6.8
192.09387	4.1
193.10155	12.5
194.10942	12.1
195.11693	20.5
196.12492	5.1
197.13258	15.7
199.11298	3.0
199.14804	11.5
201.12770	1.7
201.16380	3.3
203.05876	1.7
203.14331	14.9
204.09502	1.8
205.10150	4.2
206.10905	4.7
207.11751	15.1
207.13829	9.5
208.12483	5.6
209.13268	24.4
209.15131	1.2
210.14172	2.7
211.11301	1.5
211.14812	8.5
212.15492	1.4
213.12761	3.3
213.16461	3.8
215.08615	2.1
215.14395	2.7
217.10190	2.9
217.15851	7.3
218.10912	3.3
219.11668	9.5
219.13501	1.6
220.12527	5.4
221.13260	15.3
221.15419	62.9
222.14070	4.3
223.14856	14.4
224.15662	3.8
225.16426	6.0
227.17880	1.9
229.10187	1.9
230.10910	1.8
231.11748	5.8
231.17459	4.0
232.12555	3.4
233.13278	9.6
233.15404	3.7
234.14052	5.2
235.14787	9.7
236.15672	2.9
237.16470	7.4
239.18007	4.9
243.11760	2.8
244.12532	2.7
245.13171	7.9
246.14099	4.9
247.14771	7.3
247.16983	2.6
248.15628	3.3
249.16464	7.8
251.17958	4.4
253.19644	2.3
257.13400	2.2
257.19067	6.0
258.14124	2.5
259.14853	5.9
260.15665	2.9
261.16293	8.7
262.17081	2.2
263.17960	5.2
265.19424	6.8
267.17831	2.1
269.19083	3.1
271.20587	1.9
273.16409	4.1
275.17923	9.9
277.19638	3.2
279.17480	1.9
279.21002	2.6
281.19025	2.5
283.20599	11.2
285.16245	2.0
287.17596	2.2
287.20300	3.0
289.19604	3.6
291.21201	2.9
295.20663	5.3
297.16443	2.4
297.22159	6.1
299.20331	2.2
301.19290	1.7
309.22455	1.5
315.21317	1.6
319.20441	1.8
319.73062	1.5
331.24396	3.8
333.22028	1.9
335.23792	1.9
347.23801	1.5
349.25339	6.2
352.23938	1.6
357.25809	2.9
361.25510	1.5
365.24768	2.2
375.27066	8.2
381.94305	1.4
403.29886	7.1
491.35049	4.5
503.35330	5.4
509.34216	3.1
547.39081	3.8
565.40424	24.5
583.41492	100.0
584.41956	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.5
53.03938	6.8
53.19851	2.5
55.05510	17.1
57.07081	13.4
57.65266	2.5
67.05507	24.3
68.46290	2.5
69.03430	8.1
69.07070	20.8
73.80361	2.2
77.03932	3.3
79.05500	28.4
81.07063	34.3
83.04996	6.8
83.08622	10.6
83.13868	2.5
85.06543	8.8
87.04549	2.7
87.29197	2.8
91.05482	53.7
93.07047	58.6
95.04977	9.3
95.08604	38.5
97.06519	7.9
103.05460	4.0
105.07035	86.3
107.08597	49.8
109.06513	8.9
109.10155	24.1
111.08105	3.1
115.05469	6.4
117.07004	20.1
119.08586	89.1
121.06522	5.4
121.10145	59.3
123.08086	19.6
123.11724	6.6
125.06039	3.3
128.06221	17.6
129.07001	25.5
130.07800	10.1
131.08578	39.3
133.10133	43.8
133.11081	4.2
135.08034	12.4
135.11685	16.1
137.09651	15.4
139.11169	3.6
141.07027	11.4
142.07784	33.3
143.08557	45.5
144.09337	9.6
145.10124	55.1
147.08041	21.0
147.11684	14.5
149.09637	7.3
149.13232	4.9
151.07545	19.1
151.11171	2.7
153.07005	8.8
154.07776	5.7
155.08549	20.5
156.09360	18.9
157.10132	57.9
158.10957	9.1
159.08081	3.3
159.11674	30.6
161.09633	6.9
161.13297	5.8
163.11223	7.6
165.06999	9.2
165.09129	38.7
166.07784	3.1
167.08542	13.1
167.10634	13.0
168.09398	10.1
169.10109	31.6
170.10939	10.1
171.11685	37.5
173.13292	28.8
175.11217	3.0
175.14894	11.1
177.12790	3.0
179.08583	17.1
180.09386	9.8
181.10158	17.2
181.12245	8.9
182.10965	10.5
183.11690	32.7
184.12517	8.6
185.13284	23.9
187.11316	3.7
187.14871	6.2
189.12810	7.4
191.08513	2.8
191.14311	12.0
192.09367	5.7
193.10149	20.8
194.10973	11.9
195.11674	24.2
196.12527	8.9
197.13277	24.1
198.14018	3.1
199.14822	20.4
201.12810	4.9
201.16428	4.1
203.12675	3.1
203.14282	14.3
205.10136	6.8
206.10942	9.5
207.11749	18.8
207.13638	4.1
208.12445	7.9
209.13275	30.3
210.14050	4.7
211.14815	15.0
213.16498	3.8
217.10201	4.1
217.15805	12.5
219.11670	11.6
220.12506	9.5
221.13271	17.7
221.15430	76.2
222.14043	4.9
223.14798	17.9
224.15700	3.0
225.16479	8.9
229.61514	3.3
230.10869	3.0
231.11769	7.3
231.17519	4.3
232.12444	3.1
233.13269	11.6
233.15515	7.5
234.14178	3.2
235.14764	18.4
236.15793	3.2
237.16356	9.5
239.18063	5.1
244.12570	4.1
245.13223	7.5
246.14095	8.7
247.14896	11.9
248.15599	3.2
249.16386	12.4
251.18053	7.1
257.13321	3.8
257.19092	11.7
259.14819	5.1
260.15543	6.2
261.16446	13.1
263.18008	7.4
265.19534	10.9
268.73724	3.0
269.19080	5.7
271.14795	4.5
271.20724	3.8
273.16382	5.8
275.17865	14.9
277.19513	4.1
281.19131	3.6
283.20477	15.5
285.18979	3.4
287.20325	4.4
289.19516	5.5
291.21048	4.3
295.20673	3.0
297.22272	5.0
329.22906	2.8
331.24249	4.5
347.23828	4.7
349.25400	7.8
375.27087	7.2
376.42606	2.6
387.26645	2.6
401.67859	3.0
403.30118	10.6
491.35318	10.4
503.35251	5.4
509.34695	5.1
547.39288	3.0
565.40460	21.8
583.41553	100.0
584.42200	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20020	1.8
53.03948	5.4
55.01871	1.7
55.05519	14.1
57.07071	7.5
59.04996	4.3
65.03932	2.9
66.41874	1.5
67.05511	20.6
68.90802	1.9
69.03434	5.2
69.07072	17.4
69.35950	11.9
69.36359	3.0
79.05492	24.9
81.07065	28.9
83.04995	6.0
83.08614	8.2
84.14720	2.0
85.06551	5.0
89.50069	1.9
91.05487	42.7
93.06464	3.2
93.07048	53.4
95.04973	10.5
95.08617	31.3
97.06544	6.2
99.72827	1.7
103.05467	3.3
105.07033	60.4
107.08600	45.9
109.06538	7.6
109.10165	24.6
111.08080	3.7
111.11744	2.0
113.09607	2.1
115.05484	4.5
116.06228	2.2
117.07039	15.3
119.06118	3.0
119.08588	77.3
121.06535	5.9
121.10156	52.1
123.08086	15.9
123.11722	4.6
125.09690	4.5
128.06233	10.5
129.07008	16.3
130.07803	6.9
131.08588	26.4
132.09315	1.9
133.06480	3.1
133.10147	35.8
135.08057	6.9
135.11714	12.9
137.09627	8.7
139.11203	3.0
141.07034	6.8
142.07809	21.2
143.08563	33.1
144.09372	7.0
145.10133	43.0
147.08040	10.2
147.11693	14.7
149.09647	8.4
149.13223	2.4
151.07545	10.6
153.07002	3.3
154.07771	4.5
155.08606	14.6
155.10605	2.0
156.09373	14.8
157.10121	41.9
158.10951	8.3
159.08104	5.8
159.11699	25.2
161.09663	7.4
161.13290	6.8
163.11230	5.1
165.07042	6.0
165.09116	18.6
167.08591	8.0
167.10695	30.4
168.09387	5.6
169.10097	24.6
170.10973	6.7
171.11703	27.1
173.09695	5.2
173.13283	17.6
175.11255	5.4
175.14832	10.0
179.08571	13.4
180.09384	7.2
181.10115	16.5
181.12265	5.2
182.10956	6.8
183.11714	26.3
184.12370	4.4
185.13283	17.6
187.11205	3.2
187.14853	9.0
189.12752	5.7
191.14355	6.5
193.10114	13.6
194.10912	9.2
195.11734	19.3
196.12489	5.4
197.13316	14.8
198.14023	2.3
199.14839	16.2
201.12766	2.4
201.16437	3.6
203.14355	8.1
205.10098	3.6
205.15933	3.1
206.10960	6.3
207.11754	15.8
207.13873	7.8
208.12505	8.6
209.13264	24.9
209.15126	3.4
210.14169	3.7
211.14818	11.1
213.16342	4.3
215.14420	3.0
217.10190	3.3
217.15897	6.0
219.11789	6.4
219.17717	2.2
220.12480	5.6
221.13307	17.3
221.15419	31.0
222.13994	3.3
223.11247	2.1
223.14818	11.4
225.12816	2.9
225.16425	4.5
227.14404	2.5
230.11092	2.2
231.11745	5.7
232.12540	4.6
233.13293	7.8
233.15417	7.9
234.14081	5.1
235.14807	10.5
237.16537	5.5
237.68633	1.7
239.18024	5.7
241.16003	2.8
243.11801	2.5
244.12419	2.0
245.13292	6.2
246.14230	2.5
247.14806	10.5
248.15671	3.2
249.16400	10.1
251.17989	5.4
251.83875	2.6
253.19456	2.9
257.13226	3.0
257.19055	6.9
258.14236	2.6
259.14868	4.7
261.16367	9.4
263.18015	6.2
265.19647	7.0
269.19092	6.4
271.15002	5.1
271.20511	3.5
272.15649	2.9
273.16449	5.4
274.17197	2.7
275.17859	9.4
277.19595	3.5
283.20670	10.7
283.98203	2.2
289.19589	4.1
293.19141	3.8
295.20609	4.1
297.22165	2.1
299.20364	2.4
303.17517	2.3
309.22156	2.8
315.21085	2.6
329.22675	3.1
331.24252	5.2
343.24463	2.5
347.23880	3.4
349.25308	4.9
361.25531	2.9
375.27063	2.9
403.30240	5.9
482.39856	2.2
503.35291	3.4
546.10315	2.4
547.39478	5.3
565.40491	21.6
583.41504	100.0
584.42004	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89416	1.8
53.03936	7.5
55.05515	19.5
57.07077	12.5
57.41912	1.9
59.04999	4.3
65.03937	4.6
65.85563	1.7
67.05508	30.8
69.03425	10.7
69.07069	30.3
71.04986	2.5
75.31898	1.8
75.70030	1.9
77.03910	2.4
79.05497	33.3
81.03426	1.9
81.07062	41.8
83.04987	11.0
83.08614	12.4
85.06548	7.2
87.04491	1.9
91.05485	58.1
93.06464	3.9
93.07053	78.3
95.04973	16.3
95.08611	40.8
95.09219	2.5
97.06538	9.5
97.10154	2.3
100.93795	1.9
103.05437	4.6
105.04572	2.2
105.07036	84.8
107.04990	2.4
107.08601	66.6
109.06520	9.4
109.10160	27.1
111.08107	2.9
111.11716	3.4
113.09653	3.6
115.05485	5.1
116.06246	3.0
117.07032	21.2
119.06117	3.1
119.08591	100.0
121.06504	6.8
121.10152	72.7
123.08086	14.6
123.11756	9.5
125.09671	4.8
128.06215	19.1
129.07008	21.2
130.07822	5.9
131.08572	48.1
133.06519	4.8
133.10132	49.0
135.08055	10.3
135.11693	18.9
137.09651	10.2
139.11208	3.4
141.07008	8.0
142.07771	29.0
143.08562	47.3
144.09361	8.0
145.10126	66.4
146.10890	2.2
147.08075	12.6
147.11707	20.3
149.09648	14.2
149.13278	5.3
151.07549	7.9
151.11174	2.0
153.07010	6.8
154.07753	5.3
155.08577	21.8
155.10674	3.8
156.09390	20.7
157.10130	61.6
158.07343	1.9
158.10899	11.6
159.08090	7.7
159.11713	32.9
161.09665	10.0
161.13293	10.6
163.11232	6.3
163.14867	2.5
165.07053	8.1
165.09129	15.4
165.12726	2.0
166.07780	3.4
167.08644	13.8
167.10690	58.8
167.12074	4.0
168.09387	6.7
169.10139	38.7
169.11520	2.7
170.10971	9.0
171.11694	37.1
172.12468	3.8
173.09616	5.6
173.13278	33.8
173.14661	3.4
174.10402	2.6
175.11209	7.6
175.14795	16.1
178.07794	2.3
179.08545	16.5
180.09373	7.2
181.10133	18.8
181.12274	7.1
182.10966	12.6
183.11674	25.3
183.12898	2.3
184.12564	6.4
185.09663	3.1
185.13255	18.7
187.11205	4.7
187.14885	10.9
189.12823	9.2
191.08601	3.0
191.14325	9.5
192.09369	4.6
193.10110	17.3
194.10945	13.2
195.11711	25.4
196.12520	6.0
197.13255	26.2
199.11296	4.6
199.14828	21.8
199.16356	2.5
201.12769	4.5
201.16432	6.2
203.14384	10.2
205.10187	5.3
205.15887	2.3
206.10913	11.0
207.11765	19.2
207.13901	6.9
208.12527	7.1
209.13272	34.0
209.15115	2.2
210.14171	4.0
211.11301	3.7
211.14755	12.9
212.15697	2.3
213.16478	5.5
215.14346	7.7
217.10172	4.1
217.15860	16.9
218.10973	4.2
219.11777	10.5
220.12503	8.1
221.13306	20.4
221.15442	27.3
222.14047	3.7
223.14798	20.6
225.16476	7.8
227.14372	2.4
229.10179	3.6
229.15945	2.3
230.11182	2.8
231.11761	8.5
232.12410	3.9
233.13263	10.4
233.15479	20.7
234.14085	3.5
235.14676	12.0
236.15648	3.2
237.16360	9.8
239.14534	3.9
239.17955	4.1
243.11806	2.6
244.12529	3.5
245.13379	6.6
246.14156	6.1
247.14819	13.1
248.15662	2.7
249.16476	12.2
251.18048	8.1
253.19595	2.6
257.13171	4.0
257.19110	7.1
259.14890	4.6
260.15588	3.6
261.16483	9.2
262.17270	2.2
263.18015	7.5
264.18591	2.3
265.19522	10.1
269.19055	7.1
271.14911	2.7
273.16376	3.8
275.18073	8.1
277.19516	5.0
281.19006	3.6
283.20651	14.1
287.17944	3.7
289.19617	4.7
297.21988	2.8
299.20218	3.7
303.20963	2.3
315.21246	3.6
317.22638	3.8
319.20575	2.0
331.24155	4.8
333.22293	2.9
343.24222	2.5
349.25208	4.8
366.86145	2.1
373.25211	2.7
375.26993	3.6
377.25058	2.4
415.29709	2.6
435.32175	2.3
491.35336	7.5
503.35397	2.3
509.61478	2.0
547.39325	3.4
565.40576	20.2
583.41565	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05507	1.1
59.05008	1.3
61.02938	1.4
61.03227	1.2
63.73249	1.0
67.05495	1.6
69.03426	2.7
69.07070	1.6
70.06591	2.8
70.78870	1.0
71.59480	1.1
72.03468	1.1
72.08154	1.8
79.05481	9.5
81.03426	1.9
81.07059	2.7
83.04942	1.0
85.02906	3.6
86.09707	4.1
90.65784	1.1
91.05480	9.1
93.07060	8.7
95.04967	3.1
95.68826	1.2
97.02899	2.3
97.06499	0.9
103.05463	3.0
105.07032	4.5
107.04962	20.7
107.08572	1.2
109.02888	1.7
109.06490	1.1
115.05437	2.0
117.07024	4.3
119.04900	2.1
119.08604	1.1
120.08109	1.2
121.02901	1.8
121.06506	7.9
121.10162	1.0
122.03729	1.1
123.04459	2.5
124.05235	3.8
125.00006	1.9
125.06000	2.9
127.03925	1.9
128.06201	2.8
128.07143	1.2
129.06993	3.1
130.07762	5.4
131.04890	1.6
131.06001	1.1
131.08568	2.2
135.08066	1.5
137.05997	4.2
138.06868	1.3
143.08554	12.8
145.04964	1.3
145.06442	1.7
145.10126	39.9
145.11281	2.1
147.04387	1.5
149.05946	2.9
151.03920	1.2
152.04713	1.7
153.06978	1.2
155.08588	8.1
158.07274	31.9
159.08035	2.0
161.05939	1.3
163.07552	1.9
166.06230	5.9
167.07045	73.3
171.08037	3.8
173.09622	72.2
175.03978	1.7
177.05502	1.3
181.08595	73.2
183.09152	2.9
183.76631	1.0
184.07335	10.5
186.06714	5.2
187.04027	1.3
188.04271	1.0
189.09088	2.6
191.14389	1.1
195.10202	11.7
201.09106	100.0
202.09740	1.0
207.06572	2.6
215.03465	1.7
216.03889	2.6
218.09409	3.1
233.11726	84.2
271.02478	2.2
272.02893	1.7
302.09097	1.4
304.05411	3.5
335.07657	4.2
336.07962	5.5
387.18054	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05507	1.1
59.05008	1.3
61.02938	1.4
61.03227	1.2
63.73249	1.0
67.05495	1.6
69.03426	2.7
69.07070	1.6
70.06591	2.8
70.78870	1.0
71.59480	1.1
72.03468	1.1
72.08154	1.8
79.05481	9.5
81.03426	1.9
81.07059	2.7
83.04942	1.0
85.02906	3.6
86.09707	4.1
90.65784	1.1
91.05480	9.1
93.07060	8.7
95.04967	3.1
95.68826	1.2
97.02899	2.3
97.06499	0.9
103.05463	3.0
105.07032	4.5
107.04962	20.7
107.08572	1.2
109.02888	1.7
109.06490	1.1
115.05437	2.0
117.07024	4.3
119.04900	2.1
119.08604	1.1
120.08109	1.2
121.02901	1.8
121.06506	7.9
121.10162	1.0
122.03729	1.1
123.04459	2.5
124.05235	3.8
125.00006	1.9
125.06000	2.9
127.03925	1.9
128.06201	2.8
128.07143	1.2
129.06993	3.1
130.07762	5.4
131.04890	1.6
131.06001	1.1
131.08568	2.2
135.08066	1.5
137.05997	4.2
138.06868	1.3
143.08554	12.8
145.04964	1.3
145.06442	1.7
145.10126	39.9
145.11281	2.1
147.04387	1.5
149.05946	2.9
151.03920	1.2
152.04713	1.7
153.06978	1.2
155.08588	8.1
158.07274	31.9
159.08035	2.0
161.05939	1.3
163.07552	1.9
166.06230	5.9
167.07045	73.3
171.08037	3.8
173.09622	72.2
175.03978	1.7
177.05502	1.3
181.08595	73.2
183.09152	2.9
183.76631	1.0
184.07335	10.5
186.06714	5.2
187.04027	1.3
188.04271	1.0
189.09088	2.6
191.14389	1.1
195.10202	11.7
201.09106	100.0
202.09740	1.0
207.06572	2.6
215.03465	1.7
216.03889	2.6
218.09409	3.1
233.11726	84.2
271.02478	2.2
272.02893	1.7
302.09097	1.4
304.05411	3.5
335.07657	4.2
336.07962	5.5
387.18054	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68872	2.2
52.52220	2.5
53.03932	3.5
55.05508	15.5
55.24781	2.1
57.07069	13.1
59.05000	3.6
65.03933	3.7
67.05499	16.5
69.03413	6.8
69.07070	13.2
70.01429	7.6
71.08635	4.4
71.61340	2.1
72.33263	2.2
73.68892	2.0
79.05508	14.9
81.07063	27.4
83.04992	5.3
83.08606	7.3
84.95712	2.1
85.06535	5.7
85.10168	2.4
89.06017	16.1
91.05483	36.1
93.07049	41.4
95.04963	9.4
95.08602	27.6
97.06511	8.2
99.08124	2.2
105.07037	62.7
107.08601	38.2
109.06511	9.6
109.10189	15.1
111.08042	2.4
115.05446	2.4
117.07021	18.7
118.75454	2.4
119.04899	2.6
119.08588	79.8
120.09370	2.7
121.06503	3.4
121.10142	22.3
122.10412	2.7
123.08067	14.9
123.11713	3.7
125.06013	4.1
125.09603	3.0
126.79704	2.0
128.06206	10.1
129.07025	15.3
130.07811	5.0
131.08575	36.1
132.09380	3.3
133.06531	2.5
133.08626	13.3
133.10136	38.9
135.08063	14.1
135.11693	12.3
137.09625	10.4
139.07497	2.9
141.06961	5.5
142.07803	17.6
143.08571	34.3
144.09340	8.9
145.06462	3.2
145.09029	3.2
145.10133	61.1
147.08023	14.6
147.11673	16.3
149.09615	9.6
151.07535	9.3
153.07014	3.4
155.08571	14.9
156.09346	14.1
157.08916	3.9
157.10147	60.1
158.10890	8.7
159.08049	4.9
159.11682	32.0
160.08809	7.9
160.12419	2.8
161.09619	6.7
161.13272	6.9
163.11200	9.9
165.09111	31.9
167.08527	4.7
168.09299	5.3
169.10146	18.7
170.10832	5.1
171.11731	23.4
172.12469	6.9
173.09621	3.7
173.13271	18.8
175.11240	10.8
175.14851	12.5
177.09013	2.9
177.11234	5.2
177.12660	4.3
179.08542	7.9
180.09256	3.2
181.10170	11.2
181.12238	10.8
182.10869	6.5
183.11707	19.2
184.12364	4.2
185.09619	3.8
185.13216	14.7
186.14055	3.1
187.14783	8.5
189.12726	8.5
190.13518	5.4
191.14265	2.9
193.10127	6.2
193.12233	7.8
194.10832	7.0
195.11702	16.9
195.13472	2.7
196.12410	6.4
197.09554	2.5
197.13258	18.9
198.13885	3.9
199.11200	5.8
199.14822	6.3
201.12682	3.7
203.14307	16.2
206.10909	3.5
207.11682	9.3
207.13765	12.1
208.12369	5.1
208.14543	4.7
209.13293	15.8
209.15158	4.0
210.13730	3.8
211.14812	11.1
213.12721	4.0
217.15805	3.4
219.13823	5.2
221.13208	9.4
221.15356	54.0
222.15752	3.5
223.14809	13.6
224.15448	3.0
225.12886	4.7
225.16362	4.4
227.14343	4.0
229.15686	2.5
233.13173	4.5
234.16153	8.4
235.14822	6.3
237.12692	5.0
237.16396	7.4
239.14514	2.8
239.17931	4.4
247.14880	5.4
247.16949	8.4
249.16464	3.9
251.17938	2.9
253.15831	2.8
259.16974	3.0
261.16321	4.3
263.17969	5.0
271.20648	3.6
273.16235	3.7
274.19379	3.1
279.17569	3.2
281.19067	3.2
286.19293	4.6
287.20178	3.2
297.18384	3.5
298.19363	2.7
299.20209	10.5
300.28992	4.9
301.21353	3.7
305.18774	2.4
309.18823	2.8
311.20163	3.9
311.29382	4.8
312.20993	3.5
312.24399	3.3
319.20633	3.9
325.21616	10.5
337.21655	8.2
352.23978	73.3
365.24658	14.0
371.22552	4.4
385.27762	3.2
391.26178	2.9
398.28180	6.4
404.30551	6.3
411.29080	3.4
412.29709	16.4
423.29053	3.9
425.30533	5.4
438.31299	13.6
477.33505	3.6
489.33438	4.5
491.35217	16.3
492.35474	14.6
503.86050	2.5
504.36011	100.0
569.38751	2.8
584.42139	28.9
584.55951	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05518	3.6
55.83891	0.3
57.03441	1.7
57.07071	1.4
67.05166	0.5
67.05515	7.7
69.07076	4.1
69.26066	3.0
71.04983	0.6
71.08633	0.6
79.05495	3.8
81.07062	8.3
83.08630	1.8
83.74185	0.4
85.06525	0.8
89.06036	1.1
91.05491	3.1
91.23835	0.4
93.07050	4.0
94.07381	0.4
95.05006	0.5
95.08617	6.7
97.06538	0.6
97.10161	0.9
102.81274	0.3
105.07048	2.4
106.07355	0.5
107.08617	2.6
108.08942	0.6
109.06565	0.6
109.10172	2.8
111.08109	0.7
112.08512	0.4
117.07017	0.7
119.08613	2.6
119.09315	0.4
121.10126	1.8
123.08112	0.5
123.11724	1.1
127.07502	0.4
129.07065	0.4
131.08603	1.1
133.08583	0.6
133.10156	2.1
135.11703	1.6
143.08594	0.6
145.10127	1.1
147.08046	0.4
147.11720	0.8
149.13289	0.5
159.11685	0.7
163.11230	0.6
168.62543	0.4
169.10083	0.5
175.14984	0.4
221.15421	0.9
249.11005	33.1
251.12648	0.4
268.23367	0.4
275.20108	0.9
287.18561	0.5
305.13565	3.4
337.27539	1.6
338.27820	1.1
506.39011	1.9
550.41876	0.7
584.56128	0.9
585.37640	100.0
586.37750	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	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.01864	2.4
55.05515	2.0
65.03937	3.5
65.66378	2.6
67.05491	3.7
69.03417	6.6
70.06580	9.5
71.59950	2.0
71.60390	4.1
72.08125	3.7
75.04483	4.5
78.04705	3.8
79.05473	4.2
81.03402	4.3
81.07058	3.6
84.08167	4.7
85.02902	9.0
86.09704	6.2
87.11602	2.2
91.05495	20.1
93.03417	13.1
93.07034	8.7
95.04955	5.2
95.08588	4.4
97.02863	4.7
97.06519	7.4
98.97585	4.7
99.04491	2.5
101.83743	2.3
103.05475	17.5
103.14677	2.0
105.07036	5.1
106.04188	34.2
107.04962	3.8
107.08600	3.0
109.02848	3.3
119.04927	3.8
119.08580	2.7
120.08060	2.6
121.02869	2.4
121.06529	38.2
123.04396	3.8
123.08147	2.3
125.05992	10.6
127.03942	5.0
131.04942	20.2
133.06468	3.6
134.03627	8.0
137.05974	26.7
138.06699	2.3
139.07603	2.6
145.02820	2.8
147.04416	6.1
149.04907	3.7
149.05986	47.1
151.07516	3.8
153.09123	15.7
161.05925	5.1
163.03893	3.4
163.07559	33.4
165.09163	2.3
166.06204	3.5
167.07088	4.7
177.05472	27.5
179.06979	3.6
179.14258	2.3
181.08646	24.7
191.06966	3.9
193.08633	4.0
209.08104	100.0
301.69205	2.5
339.12363	8.2
371.15024	3.2
373.16220	2.9
524.74750	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	586.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09301	1.2
56.96564	7.8
59.04988	1.5
69.07069	1.8
70.06573	1.6
71.58968	2.3
71.74773	1.5
72.04507	5.5
73.02914	1.6
85.02901	3.0
85.06548	1.9
89.03912	6.3
90.05556	46.9
92.66295	1.3
95.04971	2.3
97.02866	1.6
98.02400	3.8
98.97593	7.0
103.07576	2.7
103.25318	1.4
110.97558	2.0
116.03438	5.7
116.98679	1.7
117.03368	4.5
118.06548	4.1
124.07562	6.1
124.99103	2.0
135.04420	7.0
137.06024	2.0
142.08600	3.4
143.00146	3.6
144.08145	1.8
145.02882	3.9
146.03232	1.5
146.06042	12.6
158.99698	2.7
159.09233	1.6
161.01265	3.4
163.03905	33.5
164.04271	3.5
169.29147	1.3
170.06038	1.8
170.99641	2.4
174.11227	1.3
177.00800	1.4
181.98639	1.5
184.09644	10.1
188.07072	17.8
189.00714	2.9
189.07426	2.8
202.10741	15.2
205.09695	4.8
206.10104	1.7
218.99719	2.3
219.01779	4.3
220.11801	100.0
237.00676	7.5
237.02898	4.4
238.00986	3.8
255.01656	4.8
256.02115	4.1
273.02682	2.1
274.03177	2.2
279.07556	4.0
280.07852	2.9
337.06326	1.5
376.04465	1.5
393.10699	1.9
394.05301	2.8
394.10971	4.4
411.05984	2.6
412.06363	4.3
412.11746	3.2
429.06863	1.6
430.07330	5.3
463.11011	3.5
568.10199	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	586.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05822	0.7
55.05498	3.3
57.07079	36.3
59.04992	1.0
61.64199	0.8
67.05501	1.9
69.07078	2.0
70.98453	1.0
70.98769	1.2
71.08633	26.0
73.06548	8.3
76.40794	0.8
79.05479	2.0
81.07047	2.5
83.08614	3.7
85.10183	22.7
87.04466	6.3
89.06034	100.0
91.05463	1.7
91.07609	1.1
93.07010	2.2
97.10218	4.4
99.11732	3.7
105.07040	1.2
107.07064	1.9
107.08617	1.3
109.06485	1.1
109.10152	1.2
110.67690	1.0
113.13260	1.2
117.09142	6.2
119.08629	1.6
120.08931	1.0
121.10149	1.5
130.08644	2.4
131.07025	2.3
133.08607	53.0
135.10153	1.4
145.10071	1.4
145.50226	0.9
155.17944	5.5
157.10143	1.4
161.11671	1.3
177.11237	19.6
199.20605	4.0
221.13860	4.2
243.23193	10.1
283.17484	1.9
287.25912	4.7
304.70261	0.9
324.83685	0.9
327.19962	1.4
371.22858	1.5
415.25223	4.4
525.39752	1.0
569.42480	4.9
586.44562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17167	0.2
56.96564	0.2
57.03421	0.2
59.51736	0.2
68.05037	0.4
69.03434	0.6
70.06596	100.0
71.06925	0.3
72.08176	0.2
73.02906	0.3
80.05014	0.2
81.03417	0.5
84.08138	0.4
85.02908	0.9
86.09727	0.5
91.05490	2.0
93.03375	0.2
97.02906	0.4
98.97609	0.3
99.04467	0.3
109.02895	0.5
110.07187	0.2
112.07623	0.3
119.04952	2.3
119.08614	0.2
120.08152	0.2
121.02895	0.3
121.06534	0.5
121.10132	0.3
127.03945	0.6
132.00932	0.2
134.08125	0.2
137.06009	0.3
145.02933	0.5
145.07664	0.7
147.04422	3.0
148.07555	0.3
149.06024	0.4
160.07585	0.2
162.09171	0.5
163.03941	0.6
173.07178	0.3
175.03923	3.1
176.07074	0.8
177.05522	1.2
180.10225	0.3
193.09879	0.3
201.10271	1.4
207.06540	10.6
208.06850	0.2
209.08127	0.4
219.11375	0.9
253.03822	0.2
272.16672	0.2
295.63272	0.2
339.13483	0.4
344.55969	0.2
351.10718	0.3
369.11853	1.4
382.22205	0.2
408.23932	0.3
425.26556	0.4
438.17737	0.6
480.87177	0.3
546.63068	0.2
587.22192	2.7
587.31677	0.9
593.74475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
65.03925	1.7
67.05506	4.4
69.03425	1.9
69.07082	0.4
70.06252	0.6
70.06600	9.5
71.06911	1.6
71.61098	0.8
72.08149	1.6
79.05508	1.0
81.03410	4.2
81.07046	1.0
84.04488	1.4
84.08147	1.8
85.02898	3.3
85.54610	0.5
86.09724	1.0
89.03898	0.9
90.96013	0.5
91.05484	17.0
97.02910	0.9
99.04419	0.7
103.05462	0.9
105.03403	0.6
109.02870	1.0
109.10160	0.9
119.03637	5.1
119.04945	26.1
121.05065	0.8
124.03989	0.8
124.07526	0.6
127.03913	0.9
129.03426	0.5
129.18111	0.5
132.02071	1.0
135.06677	2.2
136.06192	100.0
137.04578	2.4
137.05856	1.2
137.09572	0.6
145.02831	1.2
146.04651	1.2
146.06009	0.6
147.04414	21.9
148.06192	3.0
149.02271	0.7
149.05981	0.9
157.03960	2.6
158.07127	0.7
158.99680	0.5
159.06683	5.0
160.07497	0.8
164.04710	0.8
167.07045	0.8
172.07544	0.5
173.08208	1.7
175.03915	40.4
175.09875	1.2
176.04265	0.9
177.05568	0.6
178.07315	1.0
179.07037	1.7
179.34024	0.5
185.08226	20.2
187.08528	2.0
192.04205	0.8
193.08470	0.7
202.09308	0.6
202.10880	34.1
207.06537	68.9
208.06842	1.6
220.11940	58.2
229.14436	1.8
273.11191	1.0
293.09045	0.7
326.73425	0.5
351.10599	3.3
369.11792	3.8
382.17249	15.8
514.71686	0.5
540.17773	0.7
588.22937	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	588.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.5
57.42816	0.3
58.06603	0.4
60.08163	6.5
64.18339	0.3
67.05482	0.5
69.07072	0.5
70.89075	0.9
71.07378	2.6
81.07048	0.4
86.09709	31.9
89.13265	0.3
91.05467	0.5
93.07034	0.6
95.08611	0.5
98.98477	3.7
104.10738	3.3
107.08627	0.4
119.08611	0.5
125.00010	20.6
133.73450	0.4
183.55626	0.3
184.07344	100.0
266.35846	0.4
406.44110	0.3
410.17468	0.3
570.35254	1.0
588.36603	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	588.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13042	4.1
55.01886	4.5
55.05526	20.5
57.03440	5.1
57.07080	14.6
67.05510	23.0
69.07079	22.7
69.28810	9.6
69.29220	33.1
70.64921	3.9
71.05002	5.7
71.08633	10.0
74.03473	4.0
79.05492	18.5
81.03425	45.8
81.07068	21.8
83.04981	9.2
83.08637	25.4
91.05500	12.7
92.05799	4.8
93.07050	12.3
95.04986	16.8
95.08621	18.6
97.06538	5.8
97.10190	12.4
98.21527	7.3
105.07043	13.9
107.04958	8.3
107.08586	11.9
107.27216	4.0
109.10149	6.7
110.23558	4.1
111.04430	5.6
111.08097	6.6
117.07031	4.2
119.08593	12.1
121.10162	13.6
125.95107	3.9
129.07030	5.9
131.08586	14.7
133.10164	5.8
135.11720	9.9
142.41904	4.0
145.10165	7.6
149.09656	6.3
157.10135	6.1
193.12292	14.1
267.15915	100.0
311.25867	51.6
313.27417	14.1
315.14334	5.8
325.33365	3.8
503.37357	39.3
570.42206	4.2
588.39142	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	27.7
57.03436	13.7
57.07070	9.2
62.55595	4.5
67.05496	21.3
69.03434	5.9
69.07072	29.9
71.08620	11.7
71.14452	4.9
71.47125	9.9
77.41232	4.8
79.05487	15.7
81.03422	53.4
81.07080	29.3
83.04993	6.2
83.08629	28.3
91.05480	20.0
91.99479	4.5
93.07048	19.0
95.04993	23.8
95.08576	13.3
97.10162	15.0
105.07027	13.5
106.07322	4.9
107.04947	5.3
107.08603	9.5
109.06532	4.6
109.10164	6.0
111.08060	8.3
117.06989	6.3
119.08591	15.0
121.10143	8.4
125.09648	6.4
129.06923	5.2
131.08556	9.7
133.10126	7.9
147.11676	10.4
149.09615	5.2
157.10155	8.3
175.11191	5.6
193.12254	19.4
264.66617	4.9
267.13336	7.1
267.15952	100.0
277.21677	9.1
278.22089	5.6
295.22421	5.1
311.25821	65.3
313.27438	6.0
503.37256	51.9
619.87335	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	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88571	0.9
51.02376	1.0
51.79262	0.8
53.03939	2.8
54.27586	0.9
55.01867	3.3
57.03443	2.0
61.02925	1.7
65.03944	1.7
67.05521	1.4
68.74193	0.9
68.99797	1.5
69.03432	13.7
70.06596	2.2
71.04980	1.9
71.12171	2.3
71.46359	0.9
73.02911	2.4
79.05493	2.5
81.03420	13.3
81.07052	2.2
83.04967	1.0
85.02908	18.5
87.00824	8.2
90.07263	0.8
91.05494	6.6
93.07044	1.7
94.04193	3.5
95.04968	1.5
97.02894	9.4
97.06518	1.2
99.04459	4.6
103.05463	5.1
105.01842	4.1
105.07043	6.6
107.04955	1.9
107.08607	1.1
109.02287	1.0
109.02899	9.8
109.06540	3.2
109.10188	1.4
111.04443	0.9
115.03946	1.2
115.05450	5.9
117.01835	1.8
117.03313	0.8
117.07039	2.5
119.04939	1.9
119.08607	3.2
121.02847	1.7
121.10133	1.5
122.03646	8.2
127.03933	12.5
128.06235	3.3
129.01878	1.2
129.06985	1.7
131.04924	8.3
132.05711	3.5
133.06485	3.5
137.05989	100.0
141.07018	1.4
145.04973	3.2
145.06517	1.2
146.03618	1.4
147.04446	3.3
147.08058	5.2
149.05977	1.8
151.03871	1.3
151.07539	1.3
156.05685	1.2
157.06468	1.1
159.02917	3.2
159.08061	1.5
160.05212	3.5
160.07588	1.3
161.05989	11.6
163.07547	13.8
165.09138	3.8
165.12785	1.2
167.07063	1.3
169.06401	1.0
171.07999	2.0
175.04018	2.3
175.07556	56.5
177.05505	1.8
179.07036	1.3
181.04948	1.1
184.05219	1.9
186.06737	1.3
187.07535	5.0
189.05550	1.0
189.09084	1.0
191.08519	3.0
199.07568	18.0
201.09013	1.6
202.07738	6.1
203.08545	10.6
205.06551	2.0
207.06506	1.9
215.06984	1.1
215.08810	1.0
218.07408	0.9
219.08121	4.8
220.08865	2.1
231.08083	13.7
232.08803	2.9
235.11214	1.2
237.09186	1.4
247.07516	4.0
248.08363	5.7
249.09076	1.7
251.10667	3.5
258.06943	1.2
259.07520	7.7
260.08386	3.1
261.09357	1.0
263.10709	6.9
265.08664	2.5
265.18076	1.1
275.06934	1.6
276.07779	5.1
277.08554	4.6
279.10175	3.3
288.79391	0.9
291.10211	16.5
292.10919	5.4
293.07993	2.3
295.10083	1.3
295.13245	2.7
308.10464	4.0
309.04132	1.0
311.12817	9.8
323.12802	41.5
325.11057	0.9
325.14444	4.0
339.88177	0.9
437.08267	1.2
450.39844	0.8
589.18976	1.5
589.29730	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80700	1.1
53.03936	2.2
55.01880	1.7
55.05261	1.2
55.05514	20.2
57.03440	13.2
57.07080	52.1
62.43990	1.1
65.03946	3.2
67.05158	2.2
67.05509	44.0
69.07072	17.8
71.04987	3.9
71.08636	34.7
71.26973	2.7
71.27342	1.1
79.05499	39.5
81.07062	50.3
83.08620	16.8
85.06561	2.0
85.10181	17.4
91.05486	56.8
93.06454	2.1
93.07050	46.8
95.04951	3.4
95.08611	48.1
97.06535	1.7
97.10158	7.9
99.08086	2.5
105.07034	59.7
107.08599	28.7
109.08031	1.1
109.10156	18.3
111.11752	2.9
113.09648	1.7
117.07034	13.0
119.08588	49.8
121.10146	18.8
123.11741	6.1
125.09619	1.3
128.06192	2.6
129.07007	9.2
130.07773	1.4
131.08574	19.5
133.10136	46.3
135.08151	1.7
135.11694	18.1
137.13246	1.9
143.08586	8.3
145.10143	20.1
147.11696	46.6
149.09586	2.3
149.13260	13.0
157.10098	7.0
159.11693	19.2
161.09662	2.2
161.13260	32.8
163.11186	2.0
163.14854	3.6
171.11682	11.7
173.13280	12.9
175.11180	1.3
175.14844	11.1
177.12712	2.9
185.13298	9.8
187.14792	3.4
189.12833	2.7
199.14835	6.0
203.14212	1.7
213.16447	2.5
228.46933	1.3
231.21088	10.2
239.23705	4.8
241.19518	40.4
257.19022	1.6
257.24673	3.1
259.20584	89.3
275.20087	2.3
277.21582	3.6
289.21606	1.4
313.27374	100.0
315.23206	5.8
333.24243	50.3
349.23697	2.0
476.67746	1.3
497.43625	3.2
571.47369	10.9
589.48724	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	590.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05520	5.4
57.03434	8.7
57.07083	26.2
67.05507	29.5
69.07063	10.8
69.29285	3.0
71.08643	20.7
71.23225	4.4
79.05500	5.4
81.03448	3.3
81.07066	22.3
83.08632	7.0
85.10194	14.1
91.05493	21.9
91.79119	2.6
93.07054	10.7
95.04996	3.7
95.08610	15.5
97.10165	5.3
105.07013	19.2
107.08604	10.7
109.10155	25.3
115.03928	2.7
119.08611	6.3
121.10152	3.6
123.11701	7.4
128.06238	3.6
133.01904	2.6
133.10133	49.7
143.08517	4.0
151.11229	26.3
161.09608	10.0
169.12230	6.3
179.10704	9.5
215.12811	21.6
239.23927	3.8
240.07405	3.2
253.14281	17.5
271.15326	4.2
299.14847	5.6
313.27386	100.0
317.15967	67.0
345.55383	3.1
555.38947	29.0
590.39203	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	591.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65303	0.4
55.05507	0.4
57.03430	0.6
61.02921	0.9
67.05499	0.7
69.03436	0.5
69.26012	3.8
70.06587	0.7
70.73775	0.3
77.20305	0.4
83.01100	1.4
85.02901	1.5
86.09694	0.4
89.00912	0.3
91.03980	0.7
91.05473	0.5
93.07084	0.5
95.01094	2.7
95.05000	0.7
96.01879	1.4
97.02871	1.2
97.06517	0.4
98.21458	0.6
103.05459	0.4
105.07037	0.5
107.08617	0.6
109.02895	0.6
112.01350	1.3
113.02130	4.0
124.56329	0.4
127.03899	0.5
131.04947	1.3
141.05232	0.5
147.04465	0.8
147.11646	0.5
157.04755	1.0
160.07639	0.5
167.03165	1.1
182.28773	0.4
185.04234	6.1
185.05756	0.9
201.03723	1.4
201.05348	0.5
203.05225	1.8
217.04767	1.7
232.07063	13.3
233.07753	0.6
235.13368	0.9
365.12079	1.4
381.11465	2.1
407.13168	0.9
543.18768	0.5
560.18237	0.6
561.19452	1.0
591.20490	100.0
592.20782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2602
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05522	1.1
55.83696	0.4
57.07072	1.3
64.25333	0.4
67.05517	2.7
69.07053	0.7
79.05493	1.6
81.07066	2.5
84.06632	0.4
91.05468	0.5
93.07043	1.7
95.08625	2.4
98.20696	0.9
105.07026	0.9
107.08617	1.2
109.10168	1.2
119.08607	0.8
121.10126	1.1
121.19736	0.4
123.11697	0.6
131.08559	0.8
133.10202	0.8
145.10118	1.0
161.13368	0.6
169.10150	1.0
181.10141	0.6
183.11749	0.7
187.14760	0.5
195.11789	0.6
209.13303	1.0
223.14803	0.6
261.22159	0.6
289.90918	0.4
313.27469	1.5
335.25931	1.2
401.17743	1.3
402.18915	0.7
413.18027	0.8
414.18234	0.9
415.19141	4.6
416.20056	1.9
417.21030	0.7
428.20029	0.8
429.20959	6.8
430.21619	4.1
431.22595	1.3
433.24295	0.7
442.21893	0.4
443.22943	2.8
444.23688	6.3
445.24277	4.2
446.24777	0.5
448.26282	0.9
457.19861	0.7
458.24704	1.5
459.21344	2.5
459.25754	3.1
472.22772	3.3
473.23450	6.0
474.24411	2.3
475.25623	0.9
476.21609	0.6
485.23474	2.0
486.24289	0.7
487.24997	19.1
488.25412	1.1
489.22903	1.9
489.52411	0.5
490.23950	0.5
503.24426	1.5
504.25851	0.5
515.24469	1.1
517.22083	0.6
518.23022	1.2
531.23969	12.4
532.24707	3.1
591.26044	100.0
591.44061	4.5
592.26312	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	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05516	17.0
55.77140	1.6
57.03436	14.6
57.07077	50.5
61.27928	1.6
62.92332	1.9
65.03957	3.5
67.05505	68.5
69.07080	17.6
70.77361	4.0
71.08275	2.5
71.08632	30.6
79.05493	39.2
81.07060	73.3
83.08631	16.8
85.10177	16.4
89.95629	1.9
91.05478	20.1
93.07050	49.5
95.04943	2.9
95.08607	65.2
95.66920	2.0
96.42950	2.0
97.10177	6.2
99.08132	2.9
105.07029	20.5
107.08601	30.7
109.10170	30.8
117.07018	6.8
119.08568	13.8
121.10153	27.1
123.11724	14.8
127.45821	2.0
131.08553	12.1
133.10123	10.9
135.11705	17.3
137.13254	4.7
145.10143	12.5
147.11681	7.9
149.13266	10.0
151.14789	2.5
159.11707	9.0
159.60962	2.0
161.13280	5.8
163.14865	8.2
173.13301	8.8
175.14789	2.4
187.14838	3.4
217.00574	2.3
219.17487	2.3
233.22659	4.3
239.23680	6.6
243.21078	14.5
257.24814	2.4
261.19373	3.7
261.22159	65.4
279.23163	4.3
313.27371	100.0
317.24771	14.1
335.21970	3.8
335.25821	64.9
573.48633	18.9
589.78564	2.2
591.49762	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	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	42.1
57.03432	16.5
57.07079	40.3
64.13361	4.3
65.03943	4.2
67.05511	67.1
69.07066	15.6
71.08640	26.2
71.61438	5.8
79.05486	22.3
81.07059	43.0
83.04993	4.6
83.08629	23.5
85.02906	13.4
85.10188	17.4
87.04459	7.7
91.05493	4.3
93.07069	8.0
95.08618	26.4
97.10181	40.9
98.59824	3.8
105.91328	3.7
107.08610	10.8
109.10166	42.5
111.00788	3.6
123.11686	5.3
125.09649	36.3
133.88933	5.1
143.10680	4.8
143.29712	4.0
173.11809	9.2
183.57349	4.0
199.13335	15.1
209.11885	5.0
227.12936	6.6
229.14325	39.9
239.23712	9.8
243.59435	4.1
284.11841	4.0
284.56219	5.1
301.16397	18.7
304.85355	3.8
313.27380	100.0
314.27798	6.1
437.36380	5.0
455.37292	19.1
461.22729	5.5
467.37256	14.4
533.25104	4.5
539.13550	4.1
539.39520	8.2
593.27271	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	593.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
55.58652	0.1
61.02919	0.2
65.03926	0.1
67.05495	0.2
69.03422	0.3
69.07082	0.2
70.59365	0.1
70.63742	0.4
72.08183	0.2
77.00225	0.2
81.03408	0.5
81.07066	0.3
85.02901	0.7
87.00789	0.3
91.05485	0.9
93.07041	0.2
95.04933	0.2
95.08630	0.3
97.02895	0.4
97.37413	0.2
105.01891	0.3
105.07041	0.3
107.04975	0.2
107.08598	0.2
109.02869	0.6
109.06561	0.2
119.04932	0.2
127.03921	0.7
133.10048	0.2
137.05959	0.3
145.02837	0.2
145.04955	0.3
147.04439	0.4
159.02968	0.3
167.03410	0.6
167.07050	0.2
177.05464	0.3
179.07028	0.3
192.04182	0.4
207.06506	0.2
227.07014	0.4
241.05061	0.2
243.06824	0.1
255.06456	0.2
256.07281	1.7
267.06305	0.2
269.04422	0.2
272.06778	2.2
275.13986	0.2
283.06125	0.2
284.06796	8.3
285.07361	0.3
286.04861	0.2
287.05576	1.4
289.05264	0.4
299.05466	0.2
300.06369	1.4
301.07083	3.8
302.07816	0.3
313.06967	0.7
314.04196	0.2
315.04999	2.2
316.05753	2.0
327.04944	0.9
329.06570	34.5
330.07324	4.8
330.11295	0.2
345.09695	100.0
346.10071	1.1
462.09360	0.4
575.27020	0.2
593.29797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41573	0.3
55.05448	1.4
56.48653	0.4
65.68781	0.4
67.05469	0.4
67.59364	0.3
69.03366	0.5
70.06514	1.5
70.14910	0.6
70.15320	1.2
72.08086	13.6
72.08521	0.8
79.05441	0.9
81.03391	0.5
81.07014	0.8
85.02850	0.5
89.26669	0.4
91.05416	1.3
93.03378	0.4
93.07002	0.8
94.04130	0.7
95.04932	0.7
95.08539	0.4
97.06442	0.4
98.06062	4.0
103.05433	0.5
105.06977	0.5
107.04885	0.6
107.08557	0.4
109.02782	0.5
109.15454	0.4
115.08725	3.0
117.06949	0.5
119.04870	1.1
121.02799	1.6
121.56644	0.4
122.03576	1.6
123.04446	0.4
123.08120	0.4
127.08517	0.5
131.04863	0.5
133.02837	0.7
135.04356	1.1
137.05983	12.8
138.93552	0.4
140.52538	0.4
145.04880	0.4
146.05933	0.4
147.04362	1.0
149.05902	0.9
151.03857	0.6
153.01839	5.3
153.05380	0.5
163.03804	0.8
164.04709	2.2
167.06946	0.8
168.04169	0.5
175.03857	0.8
177.05391	0.7
181.04964	0.8
184.07439	0.5
191.03421	0.5
206.11810	0.4
207.06465	1.6
213.05420	1.7
227.03343	0.5
235.14401	0.8
241.04932	3.0
242.05502	0.4
246.11232	0.7
257.04321	1.5
258.05127	0.5
263.13916	3.2
269.04297	0.8
270.05093	1.1
272.06696	0.6
273.07556	0.8
278.08954	0.4
283.06137	0.5
286.04681	0.9
288.75732	0.4
297.95590	0.3
298.04846	0.9
299.05283	0.6
301.03476	0.6
301.07089	1.2
311.05313	0.6
313.07227	2.0
314.07123	0.6
315.05066	0.9
315.08591	8.2
320.06772	0.5
328.05829	3.9
329.06540	5.0
330.09732	1.6
331.08231	2.5
341.06613	6.8
348.06207	0.8
360.06226	0.5
363.08575	0.9
376.05722	0.8
388.05734	1.0
390.07803	0.4
391.08072	1.4
403.08191	3.3
404.05267	1.3
417.09821	1.7
418.07141	0.8
419.07599	34.0
420.07867	0.8
433.09201	2.5
447.07028	7.5
449.12399	0.7
462.09470	100.0
463.09882	1.0
473.08679	4.5
479.06577	0.4
479.13428	8.1
479.19922	0.6
505.11276	9.5
522.13983	0.5
576.18646	20.4
577.19318	0.4
593.21332	23.7
594.21869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
71.09538	0.5
74.08057	0.2
106.02818	0.3
120.08381	0.3
138.77705	0.2
188.24335	0.3
189.23393	0.2
191.37758	0.2
387.16077	0.4
388.16898	0.3
389.17645	0.9
390.18530	0.2
400.18942	0.2
401.18149	0.3
402.18634	1.1
403.19235	1.7
404.19949	0.8
405.20599	1.3
406.21423	0.3
415.19659	0.4
416.15707	0.3
416.20618	0.5
417.16669	1.1
417.21707	2.8
418.21957	1.2
419.22540	3.1
429.16953	0.3
430.18042	0.8
431.18195	6.9
432.18860	2.1
433.19131	0.3
433.24164	5.4
434.24734	1.1
444.18909	0.4
445.20023	8.7
446.20813	4.4
447.21704	4.7
449.23682	0.3
454.62665	0.3
459.21649	3.0
460.22623	9.6
461.23291	7.7
462.24844	0.3
463.21213	0.3
473.24078	1.8
474.24161	0.4
476.25845	1.0
477.22739	0.9
487.25061	0.8
489.20395	0.3
489.27139	0.6
491.24356	0.9
492.25180	0.9
493.25604	0.3
500.95285	0.2
501.22809	0.3
505.22070	5.3
518.23224	0.4
519.24121	0.8
533.25537	21.4
534.25751	0.6
549.24060	0.3
551.58356	0.2
561.24896	0.4
563.22601	0.3
564.23590	0.4
565.28815	0.5
578.25562	0.3
593.27618	100.0
594.27948	3.3
604.91907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45129	0.4
57.64954	0.4
69.34151	0.8
69.34550	3.0
69.59518	0.4
79.05511	0.4
89.03873	0.4
95.79069	0.4
98.63442	0.4
103.17483	0.4
110.64973	0.4
154.44000	0.3
161.27798	0.4
172.53682	0.4
197.01407	0.4
207.09270	0.4
211.77298	0.4
216.97638	0.5
292.39709	0.4
375.16812	0.5
387.16220	0.7
388.17249	0.6
389.17789	1.6
401.17844	0.5
402.18597	1.3
403.19217	3.7
404.20114	1.2
405.21011	2.1
416.20157	1.2
417.16357	0.9
417.21469	3.9
418.21600	1.7
419.22421	3.8
430.17926	1.4
431.18219	7.5
431.24197	0.5
432.19012	1.9
433.24203	7.6
434.24747	0.9
445.19983	9.5
446.20822	4.7
447.21826	5.0
447.60760	0.5
459.21555	3.8
460.22537	12.7
461.23312	12.6
473.23749	2.7
476.25739	1.0
477.21698	0.5
477.27255	0.7
487.25220	1.3
489.26709	0.8
491.24725	1.6
492.25098	1.3
505.21988	4.9
518.23163	0.7
533.25500	41.8
534.25928	1.1
565.28180	0.7
575.27118	0.5
593.27606	100.0
594.27942	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	594.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73998	0.3
53.03950	1.3
55.01875	0.9
55.05514	2.0
56.05039	6.5
57.03447	2.3
58.06600	3.1
61.02925	1.2
67.05512	4.7
68.05029	0.4
68.99815	0.6
69.03432	7.7
69.07074	2.1
69.35822	3.2
70.06596	5.9
71.04996	1.1
72.04520	1.2
72.08166	0.5
73.02921	1.4
73.05299	0.5
74.06083	100.0
79.05496	2.6
81.03420	7.0
81.07062	5.4
83.04969	0.5
83.08625	1.1
84.08160	0.7
85.02904	10.0
86.06080	1.7
87.00842	2.6
88.07635	3.1
91.05482	2.1
93.07053	3.3
94.03222	0.4
94.06577	1.4
95.04947	0.6
95.08614	4.0
96.08128	1.3
97.02901	3.9
97.06579	0.6
97.10151	0.5
98.06079	1.1
99.04457	3.0
100.07616	0.8
103.03936	0.7
105.01875	1.2
105.07067	1.0
107.08616	1.5
108.08142	0.9
109.02894	6.3
109.06503	0.4
109.10188	1.3
110.09661	0.4
112.07686	0.4
112.11237	0.4
114.09178	0.7
115.03970	0.5
116.07151	0.7
117.01852	0.4
119.08628	0.9
121.10172	1.8
123.11747	0.4
126.09164	0.4
127.03921	8.4
127.04780	0.6
127.50027	0.4
129.01848	0.6
135.11743	1.1
145.02931	0.4
145.04993	1.8
149.13307	0.4
159.02927	0.8
159.11662	0.5
167.07079	0.5
177.05521	0.3
181.05157	0.4
187.06006	1.2
205.07127	0.6
207.06642	0.5
219.62445	0.4
266.24808	0.4
270.05310	0.7
274.25394	0.6
280.26529	0.4
284.25519	0.3
285.07553	3.3
286.07892	4.9
292.26270	3.4
301.07104	0.5
302.07507	0.4
310.27469	6.7
315.05066	1.2
315.08435	0.5
316.05640	1.0
328.28485	17.0
331.08243	1.5
332.08362	3.1
346.29532	33.6
370.29865	0.6
388.30716	1.4
415.60849	0.4
448.13074	0.6
463.09924	0.8
506.11603	0.6
508.34363	0.7
514.33698	0.8
532.35059	2.0
550.35895	18.5
552.25616	0.4
576.33716	4.0
594.34900	60.5
595.35077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Vitexin 6''-O-glucoside
Peak:m/z	Relative Intensity
71.21056	2.5
71.21378	3.2
85.02916	5.1
103.03977	3.1
107.04987	4.2
109.02883	3.1
119.04942	6.5
121.02867	37.4
145.02847	4.2
161.02313	2.2
173.02328	2.7
175.03922	3.1
176.01044	2.1
177.01810	3.7
189.01845	9.7
191.03345	6.9
195.02899	4.9
201.05540	3.2
203.03465	10.7
207.02890	4.6
209.06783	2.1
215.03362	2.7
217.04988	4.8
219.02856	3.4
221.04402	2.8
229.04987	5.5
233.04393	2.4
239.03572	2.7
255.02756	4.7
267.06461	2.3
268.07260	4.2
279.06516	4.4
281.08035	5.4
283.06018	7.7
285.03928	2.3
293.07913	5.1
294.05212	20.6
295.06003	82.3
295.09357	4.6
296.06732	6.9
297.07574	7.4
307.06006	52.2
308.06818	16.4
309.07532	13.5
313.06952	5.4
319.05948	6.7
320.06799	3.3
321.04886	2.0
321.07645	23.7
322.08350	12.3
323.05539	3.9
323.09116	6.7
325.07059	100.0
326.07574	2.5
333.07639	9.5
335.05728	4.3
335.09109	15.2
336.06146	3.9
337.07043	57.2
337.11026	4.4
345.07495	3.0
347.09021	14.7
349.07068	35.2
351.08600	24.1
355.08075	21.7
361.07138	18.1
363.08755	4.0
365.10120	8.8
367.08197	4.6
373.06906	5.7
375.08743	9.6
379.03247	2.8
379.08069	53.6
385.07050	3.4
385.35950	2.2
389.10461	4.3
391.08038	28.7
401.10217	2.2
403.08112	22.2
409.04312	3.6
409.09171	43.1
417.09781	2.4
421.09195	24.2
427.10373	39.4
439.10278	29.6
445.10583	4.5
457.11325	89.0
458.11780	2.2
463.10101	6.8
475.12335	16.6
481.11243	24.1
487.09995	4.6
493.11325	4.5
499.12256	16.3
505.11258	9.1
511.12573	20.8
523.12268	24.4
529.13147	8.6
541.13593	25.7
559.14496	21.1
577.15424	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	595.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01867	0.8
57.03433	1.0
65.03946	0.7
68.99793	1.3
69.03441	0.9
71.21169	1.5
81.03408	1.8
85.02895	3.8
91.05521	0.8
97.02867	1.9
109.02862	1.3
119.04939	2.2
121.02871	6.7
123.00814	0.6
127.03932	0.7
145.02859	2.2
149.02362	2.0
160.98862	0.7
163.03888	2.6
165.01843	13.2
167.03407	2.0
177.01859	1.5
181.04926	1.5
183.02910	2.2
187.03986	1.3
189.01877	0.6
191.03375	0.9
195.02954	1.2
215.03488	1.0
229.04994	1.1
231.02777	0.8
239.06973	1.0
243.02730	1.0
255.06549	0.9
267.06549	7.2
270.05200	3.1
271.06042	8.0
279.06451	1.5
281.08029	7.6
283.06015	100.0
284.06772	8.3
295.06021	11.1
295.09674	2.4
297.07553	2.5
305.08151	2.9
307.06039	1.8
308.06836	2.3
309.04126	1.6
309.07529	25.1
311.05597	0.7
312.30414	0.6
313.07065	69.4
321.07553	2.8
323.05444	1.6
323.09146	16.6
333.07565	4.0
337.07059	38.7
349.07092	10.7
351.08661	2.3
361.07089	9.9
367.08124	25.7
379.08118	17.5
387.53848	0.8
397.09171	20.3
415.10236	26.2
433.11346	6.7
475.12296	1.3
577.15637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Apigenin 7,4'-diglucoside
Peak:m/z	Relative Intensity
55.01862	1.7
56.86388	0.6
57.03405	0.8
61.02915	0.8
69.03421	2.5
69.52061	3.7
81.03401	1.9
85.02500	0.5
85.02907	4.4
88.97636	0.5
97.02888	2.4
107.04906	0.6
121.02869	2.4
127.03939	0.9
149.02322	0.6
149.05983	1.8
151.03932	7.1
151.05066	1.0
163.03873	0.6
165.01848	7.2
167.03377	1.0
175.03964	1.2
179.03407	1.0
183.02881	2.0
185.76984	0.6
187.03931	0.7
189.01884	0.6
191.03386	0.9
193.05005	1.0
195.02818	0.9
203.03404	2.0
207.03023	0.6
213.22945	0.7
217.05103	0.7
231.02934	1.2
248.09654	0.6
249.03983	1.0
258.05099	0.6
265.56937	0.7
268.07339	0.9
270.05176	1.3
271.05954	1.2
280.07523	0.9
282.05191	2.0
283.06067	2.0
284.06882	1.3
286.00146	0.8
286.04709	1.9
292.07162	1.1
294.05182	1.4
295.05981	1.7
296.06799	9.7
297.07632	2.5
298.04739	13.7
298.08139	1.1
299.05582	0.8
300.06314	3.5
301.07083	5.9
307.05975	0.9
308.06808	8.7
309.07635	2.1
310.04745	3.6
311.09158	6.0
312.06351	6.1
313.07071	72.4
314.07861	4.0
317.08606	0.6
320.06808	1.3
321.07825	0.9
322.04849	0.6
323.09241	2.2
324.06299	15.4
325.07059	9.4
326.07861	2.3
327.08643	9.3
328.05777	11.6
335.09274	1.1
336.06281	17.8
337.07056	5.3
338.07901	0.8
339.05246	0.7
339.08640	23.0
340.05875	1.6
341.10138	3.0
343.08145	46.6
351.08661	28.5
352.05658	0.8
355.08136	9.1
364.05750	7.3
367.08139	62.8
368.08594	1.1
369.09790	4.8
379.08151	34.3
391.08124	0.6
397.09207	100.0
398.09668	0.8
409.09357	1.3
415.10263	40.8
427.10281	0.8
433.11362	24.6
442.10825	0.7
457.11063	0.8
505.13016	1.1
529.13293	1.5
559.14691	2.9
577.15356	2.6
595.16406	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	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01863	1.4
57.03429	1.6
61.02931	1.3
65.03941	1.5
69.03431	3.0
69.75484	1.9
69.75919	2.0
70.06588	1.0
79.05486	2.3
81.03418	2.2
84.08175	0.7
85.02909	9.6
86.09701	0.8
91.05480	1.8
93.03391	1.0
95.04985	1.4
97.02908	3.8
99.04450	0.6
103.97937	0.6
105.03403	1.1
105.07051	1.5
107.04964	7.7
108.09171	0.6
109.02873	2.1
117.07029	1.1
119.04963	3.8
121.02872	9.8
121.98592	0.7
123.04436	1.8
124.05209	1.2
125.05958	0.8
127.03911	1.7
131.04860	0.8
138.03163	0.6
141.01845	1.1
145.02856	3.7
145.04907	1.1
145.06471	2.6
147.04381	1.1
149.02382	1.8
151.03937	1.2
152.04715	0.8
161.05997	1.9
163.03909	4.5
165.01852	10.0
167.03410	1.9
167.07053	20.9
171.06496	1.0
173.05956	2.1
177.01851	2.2
177.05504	0.9
179.03448	0.8
181.04968	17.8
181.06480	1.2
183.02910	3.1
187.03961	1.7
191.03398	1.5
193.08591	0.6
195.02948	1.9
201.05495	3.2
203.03436	0.9
205.04970	0.9
205.08606	2.4
206.05635	0.6
207.02844	1.1
215.03331	1.0
217.04895	0.8
221.08110	3.0
229.04994	1.3
233.04474	0.9
233.08047	3.7
239.07039	1.7
242.05803	0.6
243.02856	1.8
255.06424	0.9
256.07443	0.9
261.03928	1.2
267.06549	9.4
270.05289	3.5
271.06018	12.3
279.06622	1.9
280.07410	0.6
281.08127	8.0
283.06030	100.0
284.06827	8.2
285.07620	1.0
293.08032	1.6
294.05249	2.5
295.06055	17.3
295.09534	2.4
297.04257	0.8
297.07660	2.3
305.08118	2.8
307.06027	5.1
308.06815	2.8
309.04086	2.1
309.07553	24.7
311.05548	0.8
313.07080	72.1
319.06305	0.9
321.07581	4.8
322.08353	1.4
323.05566	1.1
323.09122	17.1
325.07016	8.0
333.07495	4.4
335.09015	1.1
337.07074	44.4
349.07108	13.1
349.11218	1.0
351.08652	4.3
355.08170	1.3
361.07025	11.6
363.08719	1.0
365.10406	0.8
366.31635	0.7
367.08185	28.9
379.08151	24.0
387.09518	0.5
387.14383	13.4
391.08194	2.1
397.09204	21.2
403.08328	1.5
403.13824	5.0
409.08994	4.1
415.09811	29.4
417.15466	4.9
421.09198	1.9
427.10376	3.3
433.11307	8.5
439.10065	2.7
457.11401	5.0
475.12354	2.1
481.11172	2.4
499.12622	1.3
511.12115	1.3
523.12103	2.3
529.13477	1.0
541.13300	2.0
559.14600	1.8
567.19214	0.7
577.15375	1.8
595.20087	6.5
599.41785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57988	1.1
67.32715	1.2
69.50184	7.9
85.02888	1.7
88.87658	1.3
89.03952	1.5
91.05460	1.3
92.57741	1.1
97.02898	1.7
98.97603	2.6
103.05486	1.3
107.04935	3.5
115.05475	1.6
118.06548	15.8
121.02847	1.2
132.08113	5.7
142.06509	1.4
143.08228	1.1
144.08098	11.9
145.02832	1.9
146.06017	61.4
147.04318	1.5
159.09204	5.8
160.07584	1.5
163.03906	8.9
163.07559	4.2
167.07069	2.0
170.06024	3.6
177.05482	2.7
179.35222	1.2
188.07076	100.0
195.10152	4.3
205.09724	37.6
211.09813	1.2
219.67796	1.3
283.06027	2.7
295.05930	1.7
307.05753	1.3
313.07108	2.7
323.09323	1.4
337.07126	1.5
355.98059	1.2
415.09927	1.6
433.11395	3.4
509.99490	1.3
595.22809	7.1
624.02222	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
53.16269	2.0
55.05519	11.1
57.03445	9.4
65.03956	2.9
67.05511	38.1
69.07063	8.0
71.50544	2.6
73.02959	1.7
79.05502	20.6
81.03430	12.0
81.03822	2.3
81.06596	1.5
81.07063	38.3
83.04971	2.6
83.08626	4.8
85.02905	2.1
87.57600	2.0
91.05476	12.4
93.07059	25.4
95.04990	3.4
95.08613	31.6
97.06497	2.3
97.10186	2.9
98.98472	27.6
105.07047	12.1
107.08610	15.6
109.02884	8.7
109.06490	3.5
109.10166	11.6
117.07009	2.2
119.08598	6.2
121.10166	11.4
121.90752	2.0
123.11739	4.9
124.21716	1.7
131.08568	3.6
133.10133	5.3
135.08070	2.0
135.11694	6.4
145.10149	4.6
147.11761	2.8
149.13287	2.9
151.11189	3.2
155.00983	3.2
161.13297	3.0
165.70215	1.9
173.13298	2.9
261.03772	7.5
261.22229	4.4
278.95602	1.8
291.88168	2.5
295.18958	1.9
333.84265	1.9
335.07745	3.9
335.25827	100.0
431.13205	2.6
544.62018	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04015	0.8
55.05513	1.2
57.07068	3.5
66.38501	0.8
67.05501	2.5
69.07056	1.3
70.91223	2.2
71.08633	1.4
81.07048	2.9
85.10159	1.6
89.06046	1.0
91.05473	1.3
95.08614	1.8
105.07002	1.0
107.08577	1.0
109.10128	1.3
119.08588	0.8
153.26772	0.8
159.64172	0.8
177.92552	0.7
219.08051	0.9
239.74611	0.8
252.85555	0.8
283.15143	11.0
313.27188	1.1
339.17746	7.1
595.41797	100.0
596.42139	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	596.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02879	1.9
53.03941	3.8
55.01867	3.0
55.05510	13.1
57.03440	2.8
57.07067	3.7
65.03922	1.6
67.05507	65.9
67.21156	1.6
69.03458	2.1
69.07064	13.1
69.68279	1.5
70.48457	4.7
71.04999	2.2
73.02899	2.1
79.05053	2.6
79.05499	46.7
81.03410	3.9
81.06579	4.0
81.07059	82.7
83.08623	7.1
85.02934	2.9
85.06540	3.4
91.05486	22.8
93.07048	63.3
94.99609	1.9
95.04991	2.9
95.08609	57.3
97.06539	2.3
99.04423	2.9
99.08094	2.5
104.10724	4.4
105.07028	20.7
107.08593	39.1
109.02881	6.4
109.10153	34.0
110.03651	3.0
117.07035	11.5
119.08587	17.9
121.10138	39.4
123.08000	2.1
123.11718	15.3
127.03916	4.3
130.36711	1.7
131.08563	22.9
133.10161	13.9
135.11694	33.2
137.13275	8.9
139.11194	3.5
145.10115	17.0
145.77348	1.8
147.11729	12.9
149.13255	25.8
151.11185	3.5
159.11726	13.1
161.13289	14.1
163.14864	18.5
165.12749	2.2
165.67847	1.8
173.13268	17.2
175.14799	4.1
177.12863	2.5
177.16402	6.1
179.14409	2.7
187.14757	12.3
191.00131	4.0
201.16393	4.3
215.18053	2.2
233.22726	4.5
243.21097	32.5
245.22563	2.0
250.98164	2.0
261.22144	100.0
279.23166	2.2
292.42053	1.7
335.25787	19.2
353.26889	32.7
451.21408	1.9
514.21521	1.8
561.27112	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	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01871	6.9
55.05299	3.4
55.05515	48.0
56.91101	4.2
57.03440	19.8
59.05000	8.5
61.02911	3.8
61.91092	3.1
65.03943	6.3
67.05508	100.0
69.03439	5.2
69.07068	13.1
69.92178	2.9
70.17701	6.8
70.18091	6.9
71.04981	8.7
73.02914	4.4
76.52724	3.3
76.80111	3.6
79.05490	28.2
81.03409	14.8
81.07053	36.2
83.04970	8.8
83.08627	20.2
85.02465	3.9
85.02909	29.7
87.04469	11.7
87.87329	3.4
91.03956	5.2
91.05474	18.3
93.07044	21.5
95.04977	5.7
95.08602	14.7
97.02903	8.6
97.06541	6.6
97.10175	41.4
98.21514	3.3
103.03947	10.8
105.07039	8.4
107.04944	8.8
107.08625	20.5
109.06564	5.1
109.10163	85.3
111.04472	5.1
117.07040	6.3
119.04933	4.6
119.08607	13.2
121.10144	6.5
125.09641	45.6
135.10774	3.4
135.11729	9.4
137.09656	5.8
143.10658	8.6
145.10104	9.9
147.04388	9.5
153.12750	12.8
155.10611	9.8
163.11177	14.5
173.11755	39.4
181.12285	12.5
189.11169	6.0
191.10637	7.6
193.12186	6.1
199.13342	9.7
209.11717	14.0
217.14377	5.1
227.12775	16.9
229.14355	67.4
245.13676	6.6
257.13760	22.7
283.15393	12.7
301.16440	38.5
319.17511	13.8
377.08633	3.9
378.41559	4.3
399.23694	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	596.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01883	1.3
55.05515	1.5
56.05042	7.3
57.03433	2.7
58.06604	2.1
58.40609	0.6
60.60443	0.5
61.02929	1.3
61.88754	0.6
67.05505	2.7
69.03435	9.1
69.07064	1.0
70.06602	6.2
70.31400	2.2
72.04523	0.9
73.02911	1.4
73.05298	0.9
74.06084	100.0
77.39727	0.6
79.05488	1.1
81.03423	7.0
81.07052	3.1
83.08633	1.3
84.08144	1.1
85.02910	12.4
86.06057	1.2
87.00834	2.3
88.07652	3.2
91.05492	0.7
93.07073	1.1
94.06609	1.1
95.08624	2.7
96.08138	0.7
97.02896	3.4
99.04459	3.5
100.07652	1.0
103.03938	1.0
104.07125	0.9
105.01889	1.2
109.02885	6.7
109.10196	1.4
115.03921	0.6
123.11718	0.7
127.03926	8.3
145.04980	1.0
159.02803	0.8
176.59703	0.8
187.06079	1.5
264.26944	0.9
276.26978	1.2
294.28058	5.4
312.28992	8.5
330.30023	17.1
348.31100	32.1
390.32220	1.2
510.36389	1.5
516.35345	0.8
534.36389	3.4
552.37439	24.0
578.35529	5.7
596.36444	82.3
597.36627	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	597.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.4
55.01860	4.6
59.43517	3.6
60.04541	4.4
65.03942	8.9
65.48637	3.6
67.05502	5.3
69.03430	13.6
69.07061	7.9
69.51945	28.0
70.06593	9.8
71.05026	3.6
72.08142	14.0
74.06033	3.9
78.04684	3.6
79.05493	14.7
81.03412	11.0
81.07060	8.1
84.04488	4.3
84.08126	4.0
85.02924	28.8
89.10771	8.3
91.05482	45.0
92.05816	10.0
93.03391	11.2
93.07034	6.6
95.04971	6.2
95.08599	4.5
97.02908	7.8
97.06543	4.9
98.97575	4.2
99.04437	5.3
103.05476	8.7
105.07008	6.9
106.04162	16.4
107.04972	35.3
107.08584	4.6
109.02872	7.5
111.04462	5.6
115.05453	6.7
117.07015	9.2
119.04922	9.2
119.08626	5.0
121.06513	19.3
124.05206	5.2
125.06001	10.7
127.03917	10.2
131.04916	6.3
131.08562	4.5
133.06456	3.6
137.05946	8.6
144.05710	5.2
145.04990	4.2
145.06520	15.6
147.04390	8.8
147.08066	3.2
149.05998	30.1
151.03889	4.7
153.01852	4.5
153.09125	6.4
155.05989	6.4
155.07077	6.4
157.06520	7.0
161.05997	10.4
163.03923	4.4
163.07642	4.2
167.07051	95.7
172.05194	5.9
173.06003	7.7
175.07524	6.3
177.05496	18.1
181.04962	74.4
181.08591	15.6
187.07501	10.5
189.05431	5.1
190.06171	5.1
191.07062	9.1
201.05470	9.2
205.08585	8.6
206.05798	4.6
207.06480	8.9
208.07216	4.3
209.08075	65.9
211.14500	4.2
218.05727	8.7
221.08109	9.9
233.08119	68.5
235.09680	15.8
251.09222	12.2
263.09128	20.0
329.06570	15.0
331.08087	7.0
339.12442	5.2
367.11374	5.4
387.14401	10.2
399.14420	9.6
417.10086	6.5
417.15512	100.0
435.16443	5.6
597.25500	7.5
597.35638	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	597.2178
Annotation	Staunoside C
Peak:m/z	Relative Intensity
53.03944	6.9
55.01871	2.9
61.02926	3.5
65.03951	7.0
67.05510	5.3
69.03428	8.9
69.49039	22.6
70.06590	6.7
72.08141	13.9
78.04720	3.4
79.05508	16.2
81.03431	6.3
81.07056	5.1
82.03787	3.8
83.06101	3.8
84.08128	4.5
85.02916	15.3
89.10796	8.3
91.05484	44.0
92.05820	12.8
93.03402	6.3
93.07053	10.1
93.81129	2.6
95.04971	8.1
97.02904	7.3
97.06530	8.1
99.04493	3.1
103.05488	6.4
105.07108	3.6
106.04160	13.7
107.04969	34.1
109.02885	7.3
115.05462	5.9
117.07001	4.3
119.04938	6.1
119.08592	3.0
121.06512	14.6
121.10174	3.7
123.04399	4.6
124.05175	6.8
125.05997	5.2
127.03916	7.4
131.04935	4.2
131.08566	4.5
133.06529	5.3
137.05984	8.0
145.04958	3.0
145.06502	16.7
147.04395	5.5
149.05986	23.0
151.03932	3.6
153.01816	8.0
153.05489	3.1
153.09079	3.3
161.05972	7.4
163.03856	2.7
164.06998	3.6
167.07040	100.0
171.06572	3.0
172.05214	3.2
173.05978	6.1
175.03917	3.3
175.07466	4.2
177.05467	19.3
181.04977	63.6
181.08569	13.8
182.00478	2.9
187.07527	8.2
189.05449	4.7
191.07069	9.2
195.06453	3.1
200.95903	3.5
201.05481	10.1
205.08649	5.3
207.06543	8.9
209.08080	45.4
209.09889	3.7
211.14334	4.2
213.05550	3.6
217.08472	3.2
218.05754	7.0
219.06425	4.0
219.10202	3.5
221.08118	9.5
225.07706	3.1
233.08125	47.9
235.09677	13.3
249.14853	3.5
251.09135	11.8
263.09387	15.3
329.06491	14.3
346.10208	3.3
387.14441	5.5
399.14407	5.4
417.15466	79.9
435.16565	3.8
597.26025	7.6
597.35663	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	597.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.00959	1.1
55.01874	2.2
57.03399	1.3
61.02924	1.3
65.03922	3.2
66.58958	1.0
67.05516	1.6
69.03432	7.6
69.76471	5.8
79.05485	4.9
79.58820	1.1
81.03395	4.1
82.04211	1.4
85.02908	9.1
86.11684	0.9
86.19740	1.0
91.05492	3.2
95.04965	3.2
97.02876	3.8
97.06482	1.3
103.05489	1.8
105.07042	2.3
105.98588	1.1
107.04948	16.6
108.02079	1.4
109.02870	1.9
110.03664	2.3
115.05470	3.8
117.07010	4.3
123.04437	3.6
124.05257	2.6
125.06036	2.4
127.03951	6.3
129.06989	3.0
131.04932	1.7
131.08572	3.2
133.06419	3.4
137.06035	1.9
141.07014	1.5
142.02571	1.3
144.05678	5.9
145.06511	9.2
145.10143	3.1
147.04457	1.6
147.08139	1.4
152.04674	2.0
153.05482	1.9
155.06013	1.5
155.07124	1.3
157.06473	3.2
159.08051	4.2
161.05940	4.1
167.07051	51.1
171.06537	3.1
172.05223	14.4
173.05971	6.9
175.07576	3.4
177.05511	2.4
181.04959	53.6
183.06541	1.2
185.05968	1.6
187.07536	7.2
189.05365	2.4
190.06339	1.2
195.06567	2.1
200.04651	7.5
201.05466	4.4
203.06926	2.2
203.08630	1.4
205.08636	5.4
206.05711	2.2
207.06419	1.3
211.05945	1.3
217.08665	3.3
218.05702	10.1
219.06339	2.1
219.10153	3.0
221.08086	4.8
231.02942	1.5
233.08092	100.0
235.07613	2.0
235.09686	3.5
245.08113	3.1
247.07494	2.1
251.09143	4.1
263.06937	1.4
263.09195	30.4
264.07736	1.3
279.10104	1.3
281.10422	1.6
306.08643	1.5
307.09512	2.1
335.09177	1.6
339.12234	2.2
353.10294	2.0
355.11615	2.2
367.11868	4.6
371.14978	1.2
372.12341	1.5
381.13287	1.8
384.12231	1.8
385.13495	1.1
387.14413	8.9
399.14368	10.9
405.15460	1.3
417.15472	77.3
435.16452	3.3
454.35782	1.2
467.93073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
56.96563	3.4
57.03440	1.5
61.02911	3.0
65.58041	1.2
69.03429	7.8
69.31884	10.9
71.25859	1.2
73.02913	2.1
80.78469	1.3
81.03415	3.2
85.02908	11.8
91.05463	2.8
97.02896	10.3
98.97007	1.6
98.97591	21.4
99.04470	1.8
103.05455	2.1
106.06547	1.8
107.04969	2.6
109.02827	1.7
110.97568	2.8
112.07595	1.8
114.97726	1.2
116.98656	5.6
118.06522	3.8
121.06490	2.9
127.03900	3.6
128.98589	4.3
131.04942	1.8
134.05988	8.9
135.04376	1.6
137.06004	2.5
145.02809	2.0
145.05011	1.2
146.06013	16.2
146.99640	2.1
147.04387	1.7
149.06036	5.5
158.06599	1.2
158.99724	5.4
160.07579	20.5
161.01169	1.8
162.05511	100.0
163.03880	8.4
163.06110	1.9
167.07043	15.8
170.99667	2.5
173.07094	19.2
174.05527	24.0
177.00638	1.4
177.05461	11.6
177.10287	1.7
188.07623	2.1
189.00705	1.5
191.08163	84.0
192.08710	1.4
201.00618	2.1
209.08122	4.5
210.97211	1.2
212.07721	2.5
213.18982	1.1
214.04907	3.1
219.01758	5.7
223.05424	7.1
227.09164	2.7
234.56151	1.1
237.02760	5.5
251.12422	4.0
260.01691	1.1
263.12369	2.1
265.03775	5.9
268.02530	2.0
269.13513	1.5
276.07077	1.6
277.03693	1.4
281.13550	6.7
283.04855	4.4
295.07614	9.4
295.57599	2.5
301.05951	1.3
304.07996	12.4
304.58319	2.8
306.08133	5.4
307.04852	3.2
312.08585	2.4
313.08557	2.6
314.10855	2.4
325.06030	1.8
327.09128	11.7
327.59122	2.5
367.06885	1.3
393.11194	4.1
393.15906	1.3
394.11218	2.3
402.11688	1.5
408.11749	27.6
408.62213	8.2
417.12256	3.5
426.12527	1.9
445.10129	4.0
468.13342	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01862	1.6
60.04519	1.6
61.02958	1.1
61.21118	1.0
65.03938	1.1
67.17300	0.9
69.03413	2.8
69.35710	7.9
69.36130	2.4
70.06589	1.8
73.01183	0.9
73.02924	1.6
74.06068	1.1
78.04726	1.2
79.05497	5.5
81.03427	14.3
81.07050	1.8
85.02906	9.5
87.81147	1.1
88.45180	1.1
91.05467	3.7
93.07045	1.2
95.04956	2.1
97.02882	4.5
103.05469	3.1
105.07042	2.8
107.04958	9.7
109.02874	2.8
111.04420	1.2
115.05466	6.6
117.07045	14.5
119.04958	1.5
123.04404	4.5
124.05228	1.3
127.03890	2.8
128.06207	1.8
129.07019	3.5
130.04109	1.0
131.04930	1.9
131.08546	3.6
132.05675	1.2
133.06494	2.7
141.07005	1.1
144.05638	2.5
145.05005	3.8
145.06494	34.4
147.04460	1.1
152.04543	1.6
153.05539	1.6
155.04961	1.1
155.06020	6.0
156.05774	6.3
157.06538	2.9
159.08072	6.7
161.06012	3.7
162.07648	1.6
163.03918	1.4
164.07042	1.3
167.07048	49.5
172.05278	1.3
173.06000	55.1
175.03952	2.3
175.07550	1.7
177.05429	1.8
180.08669	4.0
181.04929	1.5
181.08578	1.4
183.06580	1.3
184.05203	2.0
187.07527	4.5
190.06268	34.2
191.07033	3.0
193.08574	2.1
195.06483	1.2
202.06244	4.8
203.06995	5.1
205.08611	100.0
207.06477	3.3
217.08618	41.4
218.09306	1.2
219.08260	1.1
219.10138	4.9
223.09586	2.6
227.08179	3.5
234.08463	2.7
235.09660	28.4
235.12030	1.4
236.10172	1.3
247.09714	6.9
248.08333	2.2
262.09717	1.3
265.10751	28.8
269.08185	1.6
271.09576	2.3
275.07043	1.2
284.06351	1.2
291.10251	1.9
313.07059	1.4
314.07382	1.6
315.08615	3.0
330.11075	7.3
331.11719	3.6
339.12219	1.4
351.12335	3.9
353.09958	1.4
368.12653	1.2
371.14819	3.6
383.14896	9.7
401.16003	10.3
436.32846	1.7
596.42804	1.1
598.25842	1.4
598.35236	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	598.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60122	2.1
53.03949	3.4
55.01877	5.6
55.05519	21.4
57.03438	4.5
57.07077	13.6
65.03946	3.0
67.05163	4.8
67.05512	86.5
69.03439	3.4
69.07069	26.9
70.06603	2.8
70.16109	4.2
70.16477	8.2
71.04984	2.6
71.08633	7.5
73.02927	3.8
75.04457	2.2
79.05498	27.3
81.03422	4.7
81.07063	100.0
83.04975	2.5
83.08623	17.6
84.04508	2.6
85.06544	2.7
85.10193	4.4
91.05484	22.0
93.07053	31.9
95.04971	3.6
95.08616	84.4
97.02904	3.5
97.06533	7.3
97.10172	13.3
98.21426	2.6
98.99400	2.1
99.04467	5.5
99.08086	3.5
105.04532	2.3
105.07046	15.7
107.08598	21.5
109.02871	5.9
109.10167	43.1
111.08121	4.2
111.11754	3.2
111.99596	2.0
113.09652	2.2
119.08577	14.2
121.10163	25.3
123.11729	24.1
127.03922	9.9
127.11211	2.3
128.59976	2.2
133.10130	22.4
135.11700	15.0
137.03273	2.1
137.09634	3.0
137.13269	5.7
141.12709	3.5
147.08095	2.2
147.11716	10.8
149.05945	2.5
149.13329	11.4
151.14812	5.0
155.14297	2.8
157.10027	2.3
161.13310	15.1
163.14865	8.3
165.16425	10.1
167.10716	3.2
175.14847	16.3
177.16399	2.9
179.18019	7.0
189.16360	5.8
245.22664	72.7
247.24162	2.8
262.18146	3.5
263.23734	86.6
263.26550	4.2
281.24802	3.7
337.27380	40.6
355.28308	5.3
381.50403	2.1
401.28998	2.9
413.97964	2.3
552.16479	2.5
563.29132	5.2
598.37183	2.6
626.28595	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	598.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.6
55.05520	38.7
57.03428	21.7
60.35294	7.9
67.05513	82.0
69.03421	9.3
69.07068	29.3
71.60142	9.5
77.77421	8.3
79.05511	68.6
81.03423	100.0
81.07059	91.3
83.04963	16.2
83.08633	41.2
91.05476	64.5
93.07054	78.2
95.04975	31.7
95.08617	78.3
97.06519	15.7
97.10168	12.5
105.07022	59.1
107.08581	51.9
109.06524	9.7
109.10149	28.8
109.93637	8.8
117.07062	16.4
119.08604	44.9
121.10168	39.1
123.08025	11.3
123.11694	10.6
129.06955	19.7
131.08569	31.0
133.08612	8.7
133.10149	34.0
135.08063	9.2
135.11720	22.6
145.10100	24.5
147.11691	26.8
149.09596	12.4
149.13254	13.0
157.10112	19.3
159.11699	12.3
161.13261	12.6
173.13295	10.3
175.11205	16.0
193.12241	25.0
261.22110	22.6
267.15939	92.2
303.60547	9.7
316.69415	8.0
335.25818	82.2
398.24826	9.5
453.33487	9.4
527.37219	45.2
545.38361	28.5
580.39600	9.3
598.40112	40.4
599.41357	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	598.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.2
57.03437	8.0
57.07070	8.5
62.30125	3.2
67.05514	68.7
68.37877	3.2
69.07072	21.6
69.32738	21.4
69.33159	10.7
71.05006	9.6
71.08639	5.0
79.05505	14.7
81.03426	14.2
81.07070	81.7
83.08627	13.6
91.05493	26.3
93.07059	23.3
95.04993	7.6
95.08602	31.7
97.06544	5.0
97.10184	6.3
105.07019	16.1
107.08597	14.8
109.10135	17.2
119.08571	7.0
121.10162	12.8
123.11701	8.2
131.08516	5.2
133.10178	12.2
135.11694	4.2
145.08318	3.8
147.79521	3.5
151.11214	4.3
157.50656	3.6
159.11722	5.1
193.12270	5.4
249.38136	3.5
263.23856	3.5
267.15985	12.9
270.74942	3.4
289.15729	3.6
301.20059	13.1
307.91376	3.4
313.27463	6.5
337.27399	24.6
339.28903	7.8
505.38892	100.0
531.40381	10.5
563.43048	39.1
598.62451	5.7
603.43549	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	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.5
55.01863	2.4
55.05513	16.8
57.07074	7.4
59.05001	3.5
65.03943	3.5
67.05505	25.0
69.03423	6.1
69.07074	20.9
69.28176	23.5
77.92876	2.3
79.05490	22.0
79.58083	2.1
81.03411	3.3
81.07058	34.2
81.87724	2.1
83.04983	9.4
83.08628	7.5
85.06580	3.8
91.05472	36.4
93.07047	61.8
95.04962	15.0
95.08609	32.0
97.06542	8.0
103.05489	3.1
105.07037	61.2
107.04980	4.8
107.08608	32.8
109.06532	10.6
109.10159	18.4
111.08121	3.8
111.11715	4.4
117.07004	12.7
118.26964	2.0
118.39139	2.1
119.08575	53.0
121.06506	11.5
121.10143	72.8
123.07253	4.0
123.08070	23.7
123.11700	11.6
125.05995	3.3
125.09636	7.6
128.06273	5.7
129.07014	12.2
130.07817	6.6
131.08571	25.6
133.06467	4.6
133.10132	34.8
135.08055	12.8
135.11676	11.9
137.09641	10.6
139.11185	6.8
141.07021	6.6
142.07785	11.9
143.08548	22.3
144.09343	4.3
145.10118	32.0
145.27034	2.6
147.08041	15.9
147.11702	13.1
149.09630	21.1
149.13312	2.8
151.07570	21.8
151.11201	4.1
153.12823	2.5
154.07787	3.3
155.08540	10.8
156.09383	12.6
157.10164	29.0
158.10904	3.5
159.08034	11.3
159.11707	19.5
159.82547	2.2
161.09645	10.6
161.13297	5.1
163.11189	7.6
165.07028	4.2
165.09093	16.8
167.08501	6.1
167.10683	100.0
168.09438	2.3
169.10167	16.2
170.10977	7.2
171.11740	21.8
173.09688	6.9
173.13319	13.4
175.11336	3.5
175.14877	8.4
177.09145	2.7
179.08632	5.7
180.09389	2.7
181.10185	9.3
181.12300	5.2
182.10930	5.6
183.08014	2.6
183.11694	16.6
185.09772	3.4
185.13332	7.7
187.11227	4.8
187.14880	6.2
189.12819	9.9
191.14359	6.1
193.10130	8.3
194.10934	4.1
195.11778	11.6
195.13614	3.1
196.12546	4.5
197.13185	14.5
199.11282	4.7
199.14969	5.7
201.12732	2.9
201.16542	3.8
203.14394	6.2
205.10136	2.5
205.15872	3.2
207.11768	7.5
207.13870	9.2
208.12431	3.4
209.13342	15.3
209.15231	3.8
210.14072	3.0
211.11325	4.2
211.14835	5.2
213.12944	5.1
213.16438	3.4
215.14386	5.2
219.11771	3.4
219.17406	2.6
221.13351	5.5
221.15324	30.1
223.15010	6.0
225.16335	2.8
232.12437	3.5
233.13216	4.2
233.15329	35.8
234.13943	3.2
235.14911	6.4
237.12741	2.5
237.16425	5.6
239.14465	2.5
239.17900	2.8
243.11690	4.1
246.13943	3.8
247.14934	5.2
249.16524	4.8
251.18065	4.1
257.13254	2.9
261.16486	5.9
263.14355	2.6
263.18219	2.7
265.16354	2.4
265.19455	4.4
269.19113	2.7
271.14670	2.7
273.16306	3.9
279.17389	2.9
283.20483	2.8
287.20236	4.4
289.19376	2.6
291.17487	3.4
295.20572	2.4
299.20367	3.9
311.20239	4.3
333.21973	2.4
351.23315	2.5
365.25015	5.4
377.24768	4.6
391.26395	5.3
457.63419	2.6
518.46252	2.5
563.39099	3.7
581.39801	20.5
599.41150	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.4
64.45296	0.3
67.05483	0.4
69.03424	1.3
69.60015	2.0
70.06584	0.5
73.76537	0.3
75.73334	0.4
81.03410	1.3
85.02911	2.6
86.09688	0.5
91.05490	4.1
97.02898	1.8
98.19003	0.4
105.07048	0.6
106.04168	0.4
107.04957	2.0
109.02870	0.6
115.05444	1.1
116.06239	0.9
117.07023	1.5
119.04942	3.5
127.03918	0.5
128.06213	1.8
129.07011	5.5
130.07834	0.4
131.08572	6.5
133.06483	0.9
136.05263	0.5
136.06194	3.9
137.05971	1.7
141.06967	2.7
142.07761	0.7
143.08551	1.2
144.05670	2.0
145.02814	1.1
145.04926	0.7
145.06476	1.6
146.07242	0.7
147.04408	3.8
149.06021	0.4
152.05705	1.7
153.06976	0.8
156.05725	0.7
157.06528	2.9
159.08052	10.9
161.06020	1.0
161.09639	2.7
162.07617	0.6
167.07039	2.9
169.06369	0.5
169.07668	0.9
170.07265	2.9
171.08046	2.1
172.05199	0.8
173.05978	1.2
173.09534	0.4
174.06779	0.6
174.98051	0.3
175.03902	3.6
175.07556	0.8
177.05449	2.9
178.06218	0.5
179.07008	0.6
180.08640	0.5
185.05988	0.4
187.07545	8.4
188.08371	0.5
189.05521	0.5
189.09059	3.5
193.08572	0.4
198.06726	0.9
199.07578	1.1
203.07024	1.6
204.07838	4.8
207.06537	10.0
216.07823	1.8
219.10178	2.1
221.08197	0.6
221.11754	1.7
231.10205	2.4
234.08910	0.6
237.11369	0.5
249.11234	100.0
250.11586	1.0
267.12167	0.8
277.01205	0.4
351.10733	1.0
351.45331	0.4
369.11707	1.1
420.22025	0.6
438.23676	0.6
549.39270	0.4
614.95538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69521	0.3
57.03443	0.5
61.02922	0.7
66.31991	0.4
67.05506	0.9
69.03429	1.2
69.60410	1.8
71.04990	0.4
73.02913	0.5
79.05504	0.5
81.03429	2.8
81.07071	0.5
83.08629	0.8
85.02917	3.4
91.03966	0.5
91.05495	2.7
93.07056	0.7
95.04972	0.8
95.08613	0.4
97.02881	1.7
103.05479	0.7
105.07031	1.3
107.04955	1.2
107.08611	0.5
109.02897	0.4
115.05475	1.2
116.06265	0.5
117.07011	1.2
119.08592	0.6
121.02834	0.3
127.03929	0.9
128.06226	1.0
129.07022	6.1
131.04927	0.8
131.08577	5.1
133.06487	0.9
133.10153	0.6
135.11632	0.5
136.06200	32.9
138.08241	0.3
141.07030	2.2
142.07718	0.6
143.08598	1.3
144.05692	2.2
145.06528	1.5
146.07249	0.6
147.04410	1.0
147.08119	0.4
152.05717	1.5
153.06995	0.9
155.06081	0.5
156.05730	0.6
157.06487	2.9
158.07294	0.6
159.08070	10.8
159.09392	0.6
160.05173	0.4
161.06009	0.8
161.09627	2.9
167.07057	2.4
169.06438	0.4
169.07648	0.9
170.07266	2.0
171.08040	2.2
172.05217	0.9
173.06041	1.5
174.06728	0.7
175.03894	0.7
175.07552	0.6
175.11140	0.4
177.05467	0.6
178.06212	0.4
180.08653	0.5
181.78860	0.3
187.07571	8.4
188.08266	0.5
189.05489	0.7
189.09109	4.0
190.06381	0.4
190.11719	0.3
191.07011	0.4
193.12273	1.9
198.06802	0.5
199.07550	1.3
201.05443	0.6
203.07091	1.1
204.07832	4.6
205.08633	1.0
206.09390	0.5
207.06522	1.3
207.10114	0.5
216.07819	1.8
217.08749	0.5
219.10208	2.3
221.11771	1.0
231.10158	2.7
234.08968	0.5
237.11211	1.0
249.11249	100.0
250.11586	1.0
251.65063	0.3
267.12390	1.5
267.15961	1.2
285.16888	1.5
420.22772	1.6
438.23581	1.5
582.27692	1.3
600.13757	0.4
600.28369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56890	0.6
53.03943	0.7
53.93637	0.5
55.05506	0.7
57.03405	1.1
58.86758	0.6
59.27089	0.6
61.02917	1.7
67.05507	0.7
67.16874	0.7
67.97146	0.6
69.03418	1.6
70.06583	2.0
71.48822	1.0
73.02909	2.0
79.05507	0.6
81.03414	4.3
81.07068	0.9
83.08608	1.2
84.27230	0.6
85.02922	3.7
86.09721	0.7
88.03992	0.7
91.03946	1.2
91.05044	0.7
91.05489	7.6
93.07024	0.8
95.04964	1.1
95.08595	0.8
97.02882	2.2
98.97594	1.4
105.07032	1.8
107.04992	1.6
107.08570	0.7
111.08077	0.9
115.05486	0.8
117.06995	0.9
119.03539	0.8
119.04907	1.3
119.08564	0.9
127.03909	1.0
128.06221	1.2
129.07010	5.3
131.08565	7.1
133.06506	1.2
133.10118	1.5
136.06186	51.4
137.05954	1.2
141.06989	2.2
143.08549	1.4
144.05717	1.1
145.06462	2.2
146.07204	1.0
147.04395	1.6
149.09526	1.1
152.05666	2.9
157.06509	2.8
158.07256	0.8
159.08063	12.3
159.09367	0.7
161.09633	2.5
162.04358	0.7
167.07008	1.7
169.07683	1.2
170.07208	1.6
171.08051	2.2
172.05135	1.3
173.05997	0.9
174.06750	1.2
175.03929	1.8
175.07562	0.8
177.05574	1.0
183.06573	0.8
187.07547	7.9
189.05556	0.7
189.09094	4.1
193.08575	0.9
193.12263	2.4
198.06834	0.8
199.07526	1.1
203.07076	1.4
204.07855	5.2
205.08560	0.9
207.06525	4.8
216.07770	1.5
218.09579	0.6
219.10152	2.9
221.08086	0.7
221.11627	1.2
231.10207	1.8
233.11710	1.7
249.11230	100.0
250.11566	0.8
251.12799	1.8
267.12427	2.1
267.15945	1.3
285.16931	1.6
315.13519	0.8
323.08017	0.9
420.22516	2.0
422.16589	0.9
438.23810	3.4
455.12231	1.2
459.18030	1.5
582.27496	2.7
600.27997	2.7
607.87500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01873	0.3
55.05518	0.5
56.73791	0.2
56.96547	0.3
57.03436	0.6
61.02921	2.9
67.05502	0.7
69.03432	1.3
70.06586	0.5
71.04984	0.4
71.61151	0.4
73.02929	1.2
74.00934	0.2
74.06072	0.3
76.46007	0.2
79.05487	0.7
81.03418	7.5
81.07056	0.8
83.04989	0.4
83.08617	1.9
84.20642	0.2
85.02909	2.9
91.03964	1.5
91.05482	2.0
93.07033	0.9
95.04411	0.3
95.04964	2.3
95.08624	0.3
97.02898	2.4
98.97578	0.4
101.02404	0.3
103.05516	0.3
105.07035	0.8
107.04951	0.8
107.08582	0.4
109.02877	0.4
109.06499	0.3
111.08070	0.7
115.03905	0.2
115.05447	0.5
119.03555	1.0
119.04948	0.7
119.08580	0.9
121.06503	0.2
121.10150	0.4
123.08084	0.2
127.03944	0.4
128.06226	0.4
129.07030	1.9
131.08565	2.4
133.06506	0.7
133.10107	0.6
136.06187	100.0
137.04572	0.7
137.06589	0.2
141.07001	0.5
142.07756	0.3
143.08612	0.3
144.05659	0.5
145.04933	0.3
145.06496	0.6
146.07233	0.2
147.04381	0.8
147.11676	0.7
149.06018	0.3
149.09637	0.6
152.05672	0.8
157.06483	1.0
157.10075	1.1
158.06007	0.3
159.08052	3.5
161.05992	0.4
161.09642	0.7
167.07056	1.0
169.07681	0.5
170.07306	0.6
171.08031	0.6
173.05991	0.4
175.03909	0.6
175.11188	1.1
177.05481	0.4
186.05429	0.3
187.07527	2.3
187.34387	0.2
189.09129	1.0
191.07108	0.3
193.12248	5.6
193.53111	0.2
197.66353	0.2
198.06700	0.3
201.05615	0.3
203.07039	0.3
204.07974	1.3
205.08531	0.3
207.06506	1.5
211.13332	0.7
216.07796	0.4
217.08563	0.3
219.10097	0.7
221.11777	0.4
231.10173	1.0
237.11156	0.4
249.11227	28.7
255.11557	0.3
267.12216	0.7
267.15924	3.3
285.16965	3.9
309.16840	0.5
323.35626	0.2
393.19305	0.2
420.22437	3.1
438.23633	2.9
459.17642	0.5
582.27625	4.1
600.28802	3.9
601.14941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.04213	0.6
55.01864	1.5
55.05517	4.3
58.99603	1.5
62.00721	0.6
65.03931	1.1
67.05167	1.2
67.05509	19.3
69.03426	1.3
69.07066	4.9
70.06599	0.8
71.59327	0.9
74.00684	3.9
76.02224	1.7
79.05492	10.7
80.05022	2.0
81.03406	1.5
81.07061	10.8
83.04973	1.9
83.06114	1.5
83.08621	1.7
84.04504	6.8
85.02901	0.9
86.00653	2.0
86.09734	0.8
87.04498	0.8
88.02192	0.7
91.05479	9.8
93.07050	14.5
94.06556	1.7
95.04955	1.8
95.08615	8.3
97.01087	1.6
97.02860	1.2
97.06527	1.2
97.10161	1.5
99.01414	1.8
100.02207	1.6
105.07034	8.2
107.04983	1.2
107.08605	8.5
109.06549	1.7
109.10178	5.0
111.02656	0.8
111.08089	0.8
112.02203	5.8
113.00560	1.3
114.03744	4.1
116.01682	3.8
117.07023	2.8
119.04994	0.7
119.08578	6.5
120.08112	1.1
121.10148	4.9
123.08076	1.0
125.04172	1.0
125.09594	1.2
126.03748	2.4
127.03860	0.6
128.82492	0.7
129.06584	1.5
130.05009	2.2
131.08600	2.7
133.06418	0.9
133.10143	4.2
135.08073	1.9
135.11674	4.5
137.04185	0.7
137.09579	1.3
138.03720	1.0
139.03162	0.7
139.11192	1.9
140.05305	1.5
141.04799	0.7
143.02728	0.7
143.08603	1.2
144.01137	0.9
145.10141	2.1
147.11691	2.8
149.09718	0.6
150.12749	0.8
151.05740	0.8
152.05309	0.8
153.06564	1.2
159.11673	1.5
162.02216	2.2
162.12740	0.9
163.11249	0.8
168.08485	1.4
169.04373	0.8
169.10048	0.9
171.08218	0.8
171.11713	0.7
173.13203	0.7
179.04849	1.3
185.03836	1.7
187.05273	0.7
196.11554	4.9
203.12912	1.7
210.09772	0.7
215.04860	2.4
216.05649	1.8
224.11050	17.2
231.04315	4.2
233.05907	1.2
241.11223	0.7
242.12105	29.4
246.19971	0.6
257.18985	1.0
270.10400	1.3
275.20142	4.6
282.15274	4.2
293.20981	1.6
307.17728	0.8
308.09286	1.1
323.20477	0.8
324.19949	1.4
332.20721	1.0
333.18680	3.0
344.14014	8.6
345.14713	0.9
350.21521	13.3
351.19876	1.1
368.22540	8.6
384.16806	1.8
407.24005	0.9
453.24225	100.0
454.24637	2.0
525.26233	5.8
535.01385	0.8
566.34546	0.7
582.28650	1.3
600.29858	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
54.52566	2.9
55.01865	4.5
55.05519	22.7
57.07077	22.3
57.07316	4.3
59.04995	5.4
61.90479	3.8
64.63379	3.0
65.03944	7.4
67.05513	40.9
69.03429	14.8
69.07078	20.7
70.02212	3.2
70.06595	8.7
70.12416	8.9
71.04985	8.5
74.29808	2.8
79.05503	34.1
81.07068	43.0
83.04972	11.8
83.08630	20.1
84.08205	3.3
85.06549	10.9
85.10226	3.7
87.04464	3.6
88.07597	3.0
89.06021	21.3
91.05489	54.0
91.76867	2.8
93.07055	69.3
95.04979	22.9
95.08613	54.8
97.06538	20.7
97.10197	4.8
103.05507	4.9
105.07043	95.4
105.07748	4.7
106.07825	6.0
107.04982	4.5
107.08604	55.7
109.06514	16.1
109.10170	32.3
111.04433	3.1
111.08078	7.2
113.09644	8.7
115.05441	4.9
117.07021	26.7
119.08596	98.9
120.09424	4.1
121.06512	15.9
121.10161	41.1
123.08070	37.1
123.11739	4.0
125.06007	8.9
125.09623	10.8
125.13162	3.7
128.06233	11.4
128.44171	3.2
129.07024	28.5
130.07780	9.0
131.08589	49.8
132.09366	6.2
133.06523	7.5
133.08589	11.5
133.10133	49.9
134.10957	3.0
135.08090	26.6
135.11708	16.1
137.05966	4.0
137.09650	21.3
139.07571	5.8
139.11192	9.2
141.06996	10.8
142.07776	34.4
142.70671	2.9
143.08565	51.2
144.09372	14.4
145.06488	27.8
145.10135	86.4
146.10846	7.4
147.08049	26.8
147.11690	17.1
147.37708	3.0
149.09644	14.2
151.07568	16.1
154.07796	5.8
155.08585	22.8
155.10667	12.1
156.09395	21.2
157.10138	70.9
158.10924	14.5
159.08081	25.0
159.11705	49.1
160.08856	74.7
161.09641	19.7
161.13280	17.2
163.07745	4.2
163.11206	25.2
165.07033	10.6
165.09103	53.2
166.07770	4.7
167.08594	11.4
168.09384	6.3
169.10110	33.7
170.10934	8.3
171.11714	44.0
172.08920	3.5
172.12466	10.5
173.09634	11.4
173.13266	22.3
174.10454	4.7
175.11188	33.6
175.14836	6.5
177.11273	6.5
177.12772	6.6
179.08554	9.8
180.09366	4.0
181.10231	18.6
181.12213	29.3
182.10927	11.3
183.11707	30.3
184.12460	8.9
185.09695	6.5
185.13272	21.4
186.14127	4.4
187.11188	10.1
187.14813	4.8
189.12756	13.2
190.13559	13.0
191.10667	5.2
191.14294	7.1
193.10168	14.8
193.12276	19.4
193.15955	3.4
194.10950	10.1
195.11725	29.9
195.13516	6.0
196.12415	9.6
197.09622	4.1
197.13293	36.5
198.10425	3.3
199.11298	6.3
199.14859	11.8
201.12781	11.1
201.16583	3.6
203.14323	20.9
206.10968	7.1
207.11726	17.1
207.13837	15.3
208.12651	5.8
208.14537	10.3
209.13287	21.7
210.14052	4.7
211.11278	4.6
211.14798	19.0
213.12813	9.6
215.14433	7.3
219.11833	5.0
219.13788	8.2
221.13356	13.6
221.15367	100.0
222.15781	8.9
223.14816	14.4
225.12859	4.7
225.16318	7.7
227.14276	4.7
227.17938	3.7
229.15875	5.1
233.15216	6.8
233.59767	3.7
234.14063	6.0
234.16177	23.0
235.14822	14.1
237.12827	7.8
237.16420	11.5
239.17947	5.0
241.15952	4.4
243.17368	4.6
245.13313	4.0
246.16208	5.9
247.14960	5.9
247.16997	26.2
248.17673	4.8
249.16377	6.8
251.17984	4.8
253.15906	4.9
256.26343	4.6
259.17020	6.5
261.16257	4.7
261.18741	5.0
263.18021	4.4
271.17035	7.2
273.18640	5.5
274.19321	11.7
275.17877	6.0
281.19058	3.8
283.26382	16.1
285.18674	5.4
286.19385	17.1
287.20111	14.4
295.94641	3.5
297.18524	5.1
299.20093	23.7
300.20813	5.0
300.29004	7.9
301.19495	4.2
311.20142	8.0
312.20770	10.1
313.21820	6.6
325.21713	12.5
337.21552	12.5
339.23053	4.6
340.23975	9.4
341.74295	4.2
344.31561	6.4
352.24011	73.0
353.24603	4.3
365.24738	13.2
391.26526	6.2
419.29465	6.2
427.28537	7.2
440.29367	25.7
505.33191	4.1
507.34671	14.7
508.35294	8.6
520.35522	82.6
521.35919	6.9
538.51898	4.9
585.39056	7.1
600.41663	35.1
600.55719	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.01855	4.0
55.05512	18.1
57.07081	13.9
59.04994	3.2
60.81156	2.3
65.03927	4.5
67.05511	16.2
67.30154	2.9
69.03442	15.7
69.07071	13.1
69.63367	16.0
70.06626	3.4
71.04989	6.6
75.80424	3.0
79.05497	20.6
80.06260	3.4
81.06621	4.2
81.07063	33.8
83.04982	10.7
83.08633	19.6
85.06544	10.8
87.04494	5.0
89.06022	9.9
91.05487	41.9
93.06523	4.9
93.07055	46.4
94.07371	3.6
95.04974	20.7
95.08617	32.9
97.06559	20.3
103.05448	4.7
105.07045	80.9
106.07846	3.6
107.08604	44.8
109.06548	16.0
109.10179	29.4
111.08094	4.9
113.09652	8.3
115.05465	3.3
117.07012	19.1
119.07777	4.7
119.08593	82.7
120.05806	3.7
120.09380	4.6
121.06533	11.7
121.10176	37.1
121.40002	2.8
123.08083	35.4
123.11709	4.2
125.05959	8.2
125.09644	4.8
128.06226	9.5
129.07043	20.8
130.07802	6.0
131.08585	38.4
132.09398	4.6
133.06497	5.8
133.08629	6.4
133.10143	39.7
135.08072	14.3
135.11726	13.9
136.08740	2.7
137.09627	14.7
139.07561	3.0
139.11177	7.1
141.07005	9.4
142.07797	22.4
143.08562	41.5
144.05617	2.6
144.09354	13.4
145.06508	17.2
145.10136	70.0
147.08070	31.6
147.11658	14.8
149.09619	16.0
150.10352	3.0
151.07559	9.2
154.07770	3.8
155.08597	17.6
155.10666	9.5
156.09322	16.7
157.10153	58.3
158.10875	7.6
159.08070	12.4
159.11696	38.3
160.08846	61.8
161.09647	14.1
161.13303	9.1
163.11195	21.3
165.07076	5.9
165.09122	44.9
166.07762	3.1
166.09442	4.8
167.08580	10.4
168.09326	7.1
169.10173	29.1
170.10905	9.8
171.11723	34.8
172.12401	7.3
173.09653	12.2
173.13266	18.4
175.11198	23.5
175.14818	4.0
178.09944	3.6
179.08580	9.0
180.09247	2.8
181.10153	12.2
181.12259	21.7
182.10922	9.9
183.11737	26.0
184.12398	6.8
185.09636	4.5
185.13284	16.4
187.11267	6.3
187.14822	6.8
189.12801	10.5
190.13483	7.5
191.10770	3.9
191.14272	4.5
193.10147	12.4
193.12074	13.2
194.10907	9.4
195.11716	21.7
195.13350	3.0
196.12511	9.1
197.13281	28.8
199.11244	9.6
199.14839	8.5
201.12761	7.2
203.14310	26.6
204.14975	3.7
206.10838	3.7
207.11729	12.0
207.13881	8.3
208.12456	3.2
208.14577	12.0
209.13324	18.3
210.13963	6.4
211.11369	4.5
211.14841	12.9
212.15594	4.1
213.12735	11.0
213.16382	3.6
215.14384	6.3
219.11736	6.2
219.13867	7.6
220.12555	3.9
221.13292	10.1
221.15370	100.0
222.13919	3.8
222.15817	8.5
223.11205	3.7
223.14861	12.1
224.15553	3.5
225.12761	5.4
225.16394	7.9
227.14259	4.0
229.15891	3.7
233.13254	5.9
233.15387	6.8
234.14081	4.3
234.16179	23.9
235.14861	12.0
235.16980	3.1
237.12755	6.5
237.16431	4.5
239.17914	3.6
246.16129	5.4
247.14793	3.8
247.17107	23.2
249.12997	2.9
249.16458	4.4
251.14207	3.9
259.17041	7.9
261.16434	3.7
263.17773	3.3
267.17380	3.4
269.18918	4.2
271.17181	4.4
273.18643	3.8
274.19302	7.0
283.26398	7.7
285.18433	3.8
286.19394	18.1
287.19980	10.8
289.19513	4.4
297.18878	4.5
298.19223	3.7
299.20129	20.6
300.20868	8.9
311.20145	4.8
312.20850	16.8
313.21640	9.2
325.21768	14.7
326.22107	3.8
337.21591	5.4
340.23819	9.1
342.32516	2.9
352.23975	41.8
365.24762	10.7
377.24805	4.0
379.26419	6.1
387.25381	3.6
391.26181	3.8
419.29562	6.7
420.29980	3.8
425.27203	3.5
426.27795	4.4
427.28537	6.9
440.29205	39.4
508.34964	7.8
520.35498	39.0
600.41400	27.9
600.55444	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37671	3.0
53.03951	5.8
53.97650	3.2
54.15418	3.2
55.01876	3.4
55.05508	17.9
57.07077	16.6
65.03930	4.1
67.05510	33.3
69.03427	13.0
69.07079	17.6
69.32562	32.9
69.56392	3.1
70.71516	3.3
79.05486	23.0
81.03440	4.0
81.07076	33.9
83.04980	10.2
83.08618	11.5
85.06555	11.5
89.06036	19.5
90.97617	3.0
91.05489	46.9
93.07058	57.9
95.04968	18.9
95.08619	45.2
97.06558	18.9
99.08129	3.6
103.05456	5.6
105.07039	81.1
107.04961	4.2
107.08602	42.9
109.06551	17.7
109.10168	26.2
111.04418	3.6
111.08067	7.0
113.09594	6.5
115.05497	3.7
117.07011	23.3
119.08592	79.1
120.09386	4.8
121.06527	12.4
121.10154	38.2
123.08073	28.3
123.11713	5.0
125.05997	9.8
125.09620	8.6
128.06227	11.6
129.06999	20.3
130.07806	8.0
131.08568	40.5
132.09404	4.0
133.08586	11.2
133.10150	42.5
135.08086	23.3
135.11684	12.2
137.09619	14.6
139.11174	12.2
141.07002	8.5
142.07802	18.7
143.08604	39.8
144.09369	9.8
145.06480	15.8
145.10147	58.1
147.08067	32.0
147.11653	16.3
149.09607	12.6
149.13278	6.3
151.07570	21.4
155.08566	16.6
155.10692	9.9
156.09406	17.5
157.10144	52.5
158.10893	9.5
159.08064	14.6
159.11717	36.6
160.08864	67.7
160.12411	5.1
161.09615	12.6
161.13275	10.8
163.11220	18.6
165.09138	32.0
166.07722	4.7
167.08583	8.7
169.10118	32.0
170.10887	10.3
171.11699	37.2
173.09613	10.0
173.13239	10.5
175.11179	26.6
175.14792	5.6
177.09071	4.8
177.12698	5.8
179.08521	3.7
179.14293	3.9
181.10176	13.4
181.12201	24.2
182.10942	14.7
183.11725	27.7
184.12506	7.4
185.13287	17.7
186.13959	3.6
187.11205	10.9
187.14864	7.0
189.12788	9.8
190.13530	6.2
191.10710	5.6
193.10153	14.8
193.12267	13.6
194.10892	4.6
195.11745	20.8
195.13474	3.6
196.12489	8.0
197.13251	24.5
199.11205	9.3
199.14896	5.4
201.12805	6.4
203.14301	21.7
207.11667	12.7
207.13828	13.6
208.12621	6.3
208.14514	8.3
209.13429	16.4
209.15163	4.6
210.14056	5.3
211.11247	4.1
211.14857	11.2
213.12808	8.7
213.16441	5.8
215.14374	6.2
219.11771	6.7
219.13768	5.6
220.12389	4.6
221.13515	5.5
221.15392	100.0
222.15692	8.2
223.14854	13.0
225.16379	4.8
229.15811	5.0
233.13324	7.5
233.15477	5.5
234.16112	18.8
235.14891	4.7
237.12685	4.5
237.16399	8.0
245.15494	6.9
247.16986	30.0
248.17914	5.1
249.16457	6.8
251.17950	5.7
253.15822	4.0
255.17340	3.7
261.18805	3.6
263.14108	4.1
263.17865	5.8
269.18878	5.3
273.18634	6.7
274.19315	13.6
283.26508	5.6
285.18414	4.7
286.19385	21.2
287.20004	12.5
287.31216	3.4
297.18350	4.0
298.19220	4.5
299.20099	23.3
300.20895	6.8
311.19971	6.8
312.20908	7.3
313.21674	8.3
325.21634	16.1
337.21600	5.4
339.23489	4.4
340.23901	13.0
352.24017	33.0
365.24710	9.7
366.25488	4.8
377.24619	6.1
419.29846	5.7
425.26755	7.5
426.27100	4.1
427.28339	15.9
440.29333	35.3
501.08258	3.6
507.34488	5.2
508.34988	6.3
513.24225	7.8
520.35547	32.7
540.22992	4.3
585.39154	6.4
600.24811	9.8
600.41351	42.4
600.55652	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01868	3.6
55.05514	19.3
57.07063	10.4
59.04994	6.2
65.03936	4.4
67.05502	26.6
69.03438	14.9
69.07071	14.0
69.23004	24.7
77.03970	3.4
79.05495	24.6
81.06624	4.1
81.07059	40.9
83.04987	8.3
83.08609	9.2
85.06539	10.4
89.06037	11.6
91.05486	47.4
93.07053	54.1
95.04977	16.4
95.08607	32.6
97.06532	12.2
105.04479	2.9
105.07034	88.8
106.07844	5.7
107.04929	4.6
107.08598	41.7
109.06516	19.8
109.10159	17.4
111.08051	6.4
113.06096	2.4
115.05458	5.1
117.07024	23.3
119.08583	78.6
120.09368	2.9
121.06508	11.3
121.09390	3.6
121.10156	33.6
123.08067	32.1
123.11742	3.5
125.05972	7.4
125.09629	7.6
128.06184	12.1
129.07007	23.1
130.07758	7.6
130.88020	2.5
131.08553	43.9
132.09351	3.9
133.06516	7.2
133.08600	5.0
133.10138	42.5
135.08066	21.4
135.11694	12.6
137.06021	2.5
137.09625	20.9
139.07545	5.5
139.11165	3.1
141.06979	9.9
142.07785	25.6
143.08566	49.7
144.09346	14.8
145.06485	6.4
145.10127	71.7
146.10782	2.8
147.08063	33.0
147.11671	15.1
148.08807	2.8
149.09601	14.6
150.10408	2.9
151.07593	12.2
151.11261	3.8
153.09059	4.4
155.08545	21.0
155.10672	8.9
156.09369	20.0
157.10124	63.8
158.10910	11.2
159.07976	13.1
159.11696	45.9
160.08891	7.0
161.09615	18.2
161.13286	11.8
162.10414	3.2
163.11215	18.5
165.06982	6.8
165.09119	47.1
166.07910	2.8
167.08597	9.8
168.09328	6.7
169.10130	27.6
170.10944	15.3
171.11699	38.4
172.12456	10.9
173.09607	11.6
173.13232	19.0
174.10405	3.5
175.11174	29.8
175.14906	3.1
176.11958	3.2
177.09117	5.6
177.12790	5.9
178.10039	2.8
179.08563	9.2
180.09282	3.9
181.10078	16.3
181.12271	22.3
182.10942	9.7
183.11684	24.7
184.12415	5.3
185.09663	7.3
185.13249	23.7
186.13893	3.4
187.11166	10.2
187.14842	5.4
188.11905	3.8
189.12740	9.1
190.13506	11.3
191.10674	7.6
191.14287	4.5
192.09344	5.3
193.10149	12.5
193.12276	16.8
194.10912	5.5
195.11700	21.7
195.13539	5.0
196.12451	8.8
197.09653	3.3
197.13240	23.2
198.10397	5.6
198.14032	4.8
199.11211	9.1
199.14810	8.7
200.12027	2.8
200.15752	2.7
201.12691	12.2
201.16344	3.1
203.14339	21.2
205.10179	3.6
206.10924	4.1
207.11679	12.2
207.13762	14.5
208.12694	4.5
208.14603	13.0
208.50305	3.5
209.13228	16.1
210.10423	2.9
210.13954	5.2
211.11165	4.6
211.14806	14.2
212.15546	5.4
213.12860	6.1
213.16316	3.6
215.14354	6.6
219.11761	3.7
219.13789	8.6
220.12437	3.2
221.13272	11.6
221.15347	92.4
222.15749	5.4
223.11229	4.2
223.14828	10.0
224.15588	2.8
225.12798	7.9
225.16342	9.2
227.14319	4.8
229.12268	4.1
229.15947	3.3
232.12617	2.7
233.13321	5.0
233.15392	6.9
234.14026	4.1
234.16188	30.4
235.14857	6.9
237.12721	7.4
237.16403	6.3
239.14362	4.4
243.13809	3.9
246.14030	3.3
247.14694	4.2
247.16948	27.0
248.17708	3.9
249.16454	5.5
251.14331	3.3
251.17947	4.6
253.15887	4.3
259.17007	5.2
261.16348	6.3
262.19415	3.7
263.17908	4.5
265.15927	3.9
267.17307	3.2
269.18973	4.1
271.16974	3.6
273.18570	3.4
274.19299	11.2
279.17511	3.0
281.19034	6.0
285.18552	6.3
286.19290	10.3
287.20224	15.3
297.18500	4.6
299.20233	16.9
300.20651	3.1
307.20386	3.6
311.20023	4.6
312.20798	8.4
313.21603	5.2
323.19586	2.6
325.21683	18.5
326.22601	4.7
327.23135	3.9
337.21558	14.0
340.23737	5.4
352.23965	93.1
352.28369	4.7
365.24786	19.1
366.25726	3.1
377.24893	3.4
391.26120	4.1
400.25787	3.1
420.30048	5.9
425.26639	5.2
427.28445	4.4
440.29095	10.9
454.30826	4.7
505.32809	5.4
507.34790	16.6
508.28397	2.9
508.34961	13.6
520.35492	100.0
521.36157	3.8
552.22650	2.7
582.43048	3.8
600.41510	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01873	6.1
55.05504	16.3
57.07066	12.6
58.34920	3.2
59.04988	6.7
59.12992	2.8
59.60202	2.6
65.03931	3.4
67.05506	24.4
69.03429	18.2
69.07066	11.3
69.34480	14.1
69.34911	13.6
71.04992	8.3
71.08644	3.0
73.04315	2.9
76.30723	2.8
79.05487	22.9
81.03383	3.0
81.07062	35.5
83.04977	9.0
83.08603	13.1
85.06551	8.4
89.06017	9.8
89.36761	2.8
91.05484	37.7
93.07043	54.8
94.07311	3.4
95.04972	19.8
95.08607	36.0
97.06522	25.5
98.20758	4.7
105.06372	5.3
105.07037	73.4
106.07883	3.6
107.04957	3.5
107.08596	46.5
108.05734	3.7
108.10590	3.1
109.06499	13.5
109.10164	29.1
111.08058	8.5
113.09649	9.7
115.05476	5.4
116.06166	2.9
117.07021	19.7
119.08587	73.5
121.06509	15.3
121.10137	32.0
122.07298	3.1
123.08078	23.7
125.05985	6.3
125.09589	7.9
128.06158	4.8
129.07022	18.7
129.30095	3.1
130.07771	9.2
131.08560	43.4
131.97104	3.1
132.09409	4.1
133.06468	3.7
133.08594	5.1
133.10156	35.2
134.10658	2.9
135.08054	16.6
135.11671	12.3
137.09598	16.4
139.11172	13.9
141.07004	7.4
142.07782	18.1
143.08585	40.6
144.09352	18.1
145.06485	28.0
145.10121	61.3
146.10518	5.2
147.08055	31.4
147.11696	13.1
149.09627	10.0
151.07559	11.7
154.07735	4.3
155.08556	16.3
155.10661	10.1
156.09329	11.8
157.08893	5.7
157.10127	54.4
158.10889	11.7
159.08049	22.3
159.11710	39.0
160.08841	88.9
161.08389	2.9
161.09572	16.3
161.13239	8.0
163.11131	18.9
165.06989	6.6
165.09079	41.4
166.07715	3.2
167.08553	9.5
168.09344	4.0
169.10133	27.9
170.10890	10.1
171.11705	34.3
172.12308	6.0
173.09624	12.3
173.13293	13.2
175.11153	21.8
176.11932	5.2
177.09209	4.3
177.12756	6.3
179.08560	9.9
179.14270	4.8
180.09291	3.6
180.11464	3.9
181.10130	15.0
181.12253	25.7
182.10901	9.1
183.11662	17.0
184.12352	5.5
185.09628	8.7
185.13214	17.8
186.10374	5.3
187.11191	5.8
187.14825	6.3
189.12708	10.1
190.13515	6.7
191.10678	4.5
191.14340	5.5
193.10112	11.2
193.12268	12.3
194.10956	5.9
195.11691	21.8
195.13759	6.1
196.12376	7.3
197.09796	3.2
197.13243	25.4
197.57646	2.9
198.13902	4.4
199.11192	5.9
199.14825	5.8
200.15546	3.0
201.12796	7.4
203.14296	22.1
204.14940	3.8
206.10855	3.9
207.11664	12.2
207.13823	13.2
208.12607	5.8
208.14583	12.5
209.13295	18.9
209.15033	4.3
210.13953	4.5
211.11176	4.2
211.14874	15.5
213.12692	6.4
214.13400	3.4
215.14372	4.4
216.15109	3.3
217.15775	3.2
219.11684	4.1
219.13705	7.2
221.13293	10.4
221.15334	100.0
222.15784	10.1
223.14828	7.1
224.15346	4.1
224.48746	3.2
225.12816	5.0
225.16336	5.4
229.15910	7.4
233.13266	4.8
233.15430	11.3
234.16167	23.7
235.14711	6.6
236.15501	3.4
239.14429	3.6
239.17999	3.9
241.15825	5.3
243.13980	4.4
246.16229	6.9
247.14766	4.9
247.16968	26.2
249.16339	7.4
259.17004	4.3
271.16977	6.8
273.18588	6.7
274.19263	11.7
285.18524	5.6
286.19336	32.2
287.20078	17.3
297.18442	8.9
298.19299	7.2
299.20081	23.3
300.20764	13.5
301.16379	3.8
305.19058	3.4
309.18689	4.0
310.19199	3.2
311.19925	9.1
312.20773	17.8
313.21671	9.8
325.21655	14.6
337.21609	9.7
339.23288	4.6
340.24005	3.5
351.23270	3.8
352.23904	51.0
365.24817	12.2
374.24533	3.7
387.25275	3.6
392.27063	4.1
400.25946	7.1
413.26956	5.6
419.29538	7.8
426.27597	5.7
427.28656	6.0
440.29242	53.2
507.34772	6.7
508.35385	3.6
520.35303	32.2
521.36505	3.9
600.41553	42.1
600.55627	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	601.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
56.87009	0.7
64.71423	0.6
67.05477	1.9
70.78168	1.2
75.80353	0.6
76.14385	0.6
77.00857	1.1
79.05471	1.3
81.03397	1.1
81.07061	3.0
91.05441	1.3
93.07020	2.8
95.08577	2.3
101.00871	1.0
103.02434	1.7
105.06992	2.0
107.08578	1.9
108.31115	0.6
109.10109	0.6
113.00888	0.7
115.02434	0.9
115.03683	4.6
119.01927	0.7
119.08560	2.3
121.03492	0.7
121.10098	1.4
127.02400	0.7
131.01895	2.9
131.08574	1.0
133.03482	9.7
133.10098	1.4
139.02420	1.3
141.03874	0.7
143.01877	0.9
145.03444	2.8
145.10056	0.8
147.08054	0.7
149.02032	1.8
151.04498	2.1
153.03822	0.8
157.03490	2.6
157.10138	0.8
161.02951	2.1
163.04495	0.9
165.09087	0.9
167.01888	1.9
169.03427	1.9
171.05023	3.3
171.11646	0.8
175.04477	1.9
182.12617	0.8
182.98119	1.6
183.04996	0.7
185.02994	5.9
187.04504	2.4
189.06068	1.2
197.96080	0.6
201.06096	7.1
203.04030	1.1
211.04524	0.6
212.99104	0.8
217.05556	1.9
221.15363	2.6
222.15756	1.3
230.99823	3.2
239.00652	3.3
241.05551	1.3
248.99211	3.2
249.00925	0.8
253.02083	0.8
261.52982	0.6
267.00223	2.8
273.11111	0.7
281.01791	4.0
301.20117	35.1
302.20276	1.0
305.01727	2.9
317.19724	0.9
319.21304	4.1
323.02911	1.7
341.04797	13.3
342.22754	1.8
357.23801	0.8
359.04977	1.8
367.20847	0.7
375.25049	100.0
376.25302	1.9
417.26276	0.9
499.22568	1.2
503.29822	1.8
513.23956	1.1
538.62445	0.7
541.23193	8.0
565.22961	2.4
583.25214	4.0
601.25433	26.7
601.41455	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	601.267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95830	0.7
53.03939	1.0
55.05515	2.2
57.07079	1.5
60.84050	0.8
65.03944	0.8
67.05495	4.0
69.03403	1.1
69.07108	1.0
79.05499	3.4
81.03419	2.2
81.07044	4.7
83.04993	1.3
85.01379	0.9
88.38710	0.9
91.05479	3.6
93.07056	6.1
95.04937	0.9
95.08624	5.3
95.89264	0.8
97.06522	0.8
103.02477	1.8
105.07023	5.3
105.99258	0.9
106.07343	1.5
107.08597	3.9
109.10168	2.4
115.02464	1.2
115.03685	5.0
116.64542	0.9
117.07035	1.3
119.01939	1.8
119.08606	6.0
120.08929	1.2
121.03449	1.0
121.10148	3.5
121.94998	0.9
123.08097	1.4
129.07072	1.0
130.07750	0.9
131.01927	3.2
131.08546	2.6
133.03468	11.0
133.10118	2.4
135.08101	1.6
137.02985	0.9
137.09624	2.1
139.02383	1.9
142.07884	1.2
143.08551	2.3
145.03470	5.2
145.10146	3.4
147.08072	2.5
147.11670	1.4
148.08376	1.2
149.03055	1.2
151.04524	3.4
151.07538	1.4
155.08569	1.0
156.04988	1.0
157.03494	3.0
157.10107	3.0
159.11757	1.8
161.02989	2.6
161.13290	1.0
163.04607	1.0
163.11205	1.3
165.09123	4.9
166.09526	1.7
167.01935	2.5
167.10760	1.2
169.03551	2.4
169.10196	1.3
171.05031	4.0
173.13271	1.1
174.10103	1.0
175.04552	4.1
181.12244	1.0
182.98071	1.6
183.05095	1.0
183.11636	1.7
184.12140	1.0
185.02950	7.0
187.04562	3.2
201.06097	6.7
203.14366	1.8
204.14728	1.4
207.11826	1.2
212.98749	1.1
213.06139	1.5
217.05772	1.9
221.15393	7.3
222.15678	6.7
223.15698	1.1
230.97766	1.3
230.99632	2.7
239.00803	3.2
241.05783	1.1
248.98898	5.3
253.02415	1.4
265.02414	0.9
267.00214	4.9
275.20148	1.1
281.01910	4.0
288.20459	1.2
301.20114	36.8
305.01886	3.9
319.21204	5.3
323.03659	0.9
341.04675	12.5
342.22818	3.3
357.24081	1.4
359.05002	1.2
375.25046	100.0
499.22226	1.0
503.30066	0.9
507.33917	1.0
508.35175	1.4
513.23724	1.9
541.23254	8.8
545.22729	0.9
565.22827	2.4
583.25134	3.2
600.41138	3.0
601.25397	29.4
601.40338	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.05508	30.7
57.07074	28.4
59.04980	4.2
59.87244	3.6
65.03924	8.6
67.05508	45.8
69.03421	12.9
69.07074	38.5
71.05016	4.4
71.08620	9.5
79.05501	52.3
81.03418	34.3
81.07058	52.4
82.07392	5.6
83.04982	16.3
83.08613	17.9
85.06546	10.3
85.10189	6.6
89.06048	8.2
91.05479	65.0
93.07050	83.2
95.04975	24.8
95.08608	54.0
96.08949	4.3
97.06525	17.6
97.10129	5.5
105.07034	100.0
106.07342	8.5
107.04948	10.7
107.08595	80.5
109.06516	16.6
109.10146	40.2
115.05473	8.5
116.06234	8.6
117.07010	16.6
119.08590	95.5
121.06513	11.9
121.10149	73.2
122.10454	4.5
123.08073	13.8
123.11742	10.5
125.05997	5.2
125.09663	10.6
128.06259	14.1
129.06999	17.1
130.07805	11.9
131.08574	41.4
133.06500	10.7
133.10143	66.2
135.08072	16.8
135.11668	21.5
137.09619	13.3
139.11198	9.0
141.06979	6.0
142.07777	18.0
143.08597	40.4
144.09305	8.6
145.10126	75.2
146.10555	5.0
147.08022	26.8
147.11728	22.4
149.09631	15.2
151.07541	16.0
155.08542	12.0
156.09299	12.9
157.10127	55.8
158.10718	5.3
159.08055	17.3
159.11699	38.0
160.05209	8.3
161.05956	11.8
161.09639	15.9
161.13246	12.6
163.11166	12.5
165.07004	7.3
165.09134	34.0
166.07719	4.9
166.82062	4.2
167.08606	10.0
167.10699	36.7
168.09161	4.7
169.10112	28.9
170.10791	6.7
171.11696	28.7
173.05977	12.3
173.09590	5.7
173.13225	25.4
175.11194	10.0
175.14824	14.5
179.08543	13.2
181.10127	13.7
181.12238	9.8
183.11700	21.7
185.09673	5.4
185.13290	23.0
187.11197	5.0
187.14807	9.3
189.12711	9.2
193.10133	12.9
194.10901	5.7
195.11658	18.7
196.12337	5.4
197.13228	28.7
199.11079	5.6
199.14801	12.5
201.12650	6.0
203.14301	16.0
206.10884	8.7
207.11703	12.7
207.13599	6.0
208.12352	6.2
209.13338	25.8
209.15025	5.4
210.13786	5.2
211.14810	13.7
219.11726	6.7
221.13397	9.3
221.15379	53.1
223.14812	14.4
225.16409	9.6
227.14352	5.8
233.13229	8.8
233.15410	18.6
235.14755	9.3
236.15407	4.5
237.16380	6.2
243.13817	10.4
245.13129	7.0
261.16302	6.2
269.19003	7.3
271.13391	15.0
284.42761	4.8
285.18628	5.8
287.19913	7.1
295.20486	6.0
299.20169	6.5
313.27255	12.8
340.29282	8.0
345.17212	6.4
447.40018	5.9
491.35403	6.5
505.34824	4.7
565.40009	4.9
583.41266	13.1
601.40918	70.1
601.61633	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80201	2.5
51.02367	3.3
53.03939	8.0
55.05509	26.2
56.82800	2.6
57.07068	6.8
59.04990	4.4
65.03928	6.9
67.05218	2.4
67.05512	33.2
69.03428	16.9
69.06770	2.3
69.07080	27.8
69.26840	21.7
76.59481	3.0
77.03922	3.1
77.29395	2.3
79.05495	35.7
81.07057	53.5
83.04987	21.7
83.08617	14.2
85.06533	4.7
87.04471	5.9
91.04955	4.6
91.05486	66.9
93.07046	94.7
94.07355	4.2
95.04982	20.7
95.08608	44.9
97.06534	14.9
102.67940	2.5
103.05478	6.9
105.07037	100.0
106.07323	3.7
107.04948	4.8
107.08598	83.7
109.06541	16.3
109.10162	37.3
111.08091	4.1
113.09713	4.9
115.05447	8.9
117.06431	2.1
117.07030	19.2
119.08587	98.7
120.08833	2.9
121.06491	14.2
121.10145	97.0
122.10397	2.8
123.08102	17.5
123.11702	9.4
125.09632	16.9
128.06221	14.1
129.07002	25.5
130.07753	10.7
131.08580	54.9
132.09233	3.2
133.06491	6.9
133.10135	65.7
134.10504	2.4
135.08037	18.8
135.11684	23.4
137.09625	9.9
139.11168	8.3
141.06981	12.7
142.07800	27.9
143.08578	48.8
143.92877	2.6
144.09261	8.3
145.06483	6.1
145.10124	86.0
147.08073	13.3
147.11687	30.0
148.08716	2.6
149.09612	18.9
149.13269	4.0
151.07582	5.9
151.11224	4.2
153.06970	3.9
154.07755	6.6
155.08601	18.9
155.10672	8.0
156.09351	26.5
157.10138	64.1
158.10793	10.4
159.08075	16.9
159.11696	44.3
160.08434	3.1
161.09639	16.4
161.13237	10.1
163.11185	11.1
163.14899	2.4
165.06961	9.6
165.09138	8.3
166.07669	5.1
167.08606	12.2
167.10681	68.1
168.09334	8.1
169.10158	27.5
170.10876	10.7
171.11717	39.6
172.12334	2.8
173.09589	6.7
173.13261	23.0
175.11189	13.8
175.14839	15.0
177.09132	2.5
177.12813	3.9
178.07707	3.9
179.08528	11.3
180.09283	8.9
181.10095	20.0
181.12340	6.3
182.10876	9.2
183.11676	26.8
184.12302	5.6
185.09586	8.4
185.13242	23.7
186.13690	3.7
187.11151	9.7
187.14832	14.5
189.12747	11.6
191.08595	2.5
191.14317	5.9
192.09302	4.8
193.10162	14.5
193.11732	2.9
194.10817	8.5
195.11710	32.1
196.12383	10.7
197.13280	24.7
198.13838	4.2
199.11194	4.9
199.14828	18.8
201.12706	5.1
201.16463	4.7
203.08513	3.0
203.14278	5.9
206.10941	7.4
207.11694	14.9
207.13620	5.1
208.12410	9.5
209.13258	28.9
209.15134	4.9
210.13864	8.6
211.11180	3.3
211.14845	18.8
212.15523	3.3
213.12672	7.0
213.16319	5.8
215.14301	8.0
217.10017	3.0
217.15932	4.8
218.10869	2.9
219.11682	6.6
219.13704	3.8
220.12410	5.1
221.13234	14.0
221.15379	21.6
222.13857	4.0
222.15790	3.4
223.14893	17.6
225.12798	4.1
225.16414	8.1
226.13420	3.0
227.14349	6.3
231.11703	4.0
232.12245	4.5
233.13240	7.2
233.15387	33.5
234.13971	4.0
234.16106	2.7
235.14812	9.8
236.15414	3.0
237.12796	2.9
237.16356	6.8
239.17926	5.0
241.15872	5.8
245.13161	4.7
246.13933	3.8
247.14729	7.1
248.15480	3.0
249.16406	9.9
251.14389	3.8
251.17949	5.7
253.19467	2.8
255.17374	6.7
256.17816	4.9
257.13086	3.3
259.14709	3.9
261.16330	6.2
263.17883	5.2
265.19562	6.6
269.18967	11.5
270.19339	2.7
271.20758	4.0
273.16177	3.6
273.18701	4.3
277.19571	6.3
281.19009	7.1
283.20535	5.2
285.18570	4.8
286.19254	3.2
287.20328	4.7
289.19452	2.6
295.20609	4.9
299.20102	3.8
301.39536	2.7
302.19998	3.5
315.20978	3.4
331.24252	3.0
349.25247	5.1
351.57928	2.7
359.23834	2.8
375.27066	3.0
468.44217	2.8
565.40265	3.9
583.41504	7.0
601.42114	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49009	1.5
53.00301	1.9
53.03942	4.2
54.30569	1.6
55.05275	1.4
55.05511	10.2
57.07080	8.9
59.04998	4.2
59.99377	1.6
67.05506	17.3
69.03439	9.8
69.07065	8.4
70.78507	2.0
70.78841	3.0
71.04996	2.8
78.04689	1.6
79.05495	19.7
81.07070	22.8
83.04984	7.1
83.08624	6.2
85.06542	6.8
87.04475	2.0
91.05482	33.0
93.07053	47.9
93.45651	1.5
95.04967	10.7
95.08617	27.1
97.03079	1.6
97.06548	7.3
102.89893	1.4
103.05466	2.7
105.07039	55.3
106.07312	2.7
107.04944	2.0
107.08600	37.0
109.06522	11.1
109.10169	14.1
111.08088	5.3
113.09623	3.6
115.05441	4.7
116.06227	2.5
117.07016	13.6
119.08588	55.1
120.08856	2.3
121.06517	6.3
121.10165	24.8
123.08076	16.8
123.11708	4.5
125.06010	5.3
125.09648	3.5
128.06216	7.3
129.07040	10.9
130.07811	5.3
130.70757	1.4
131.08578	28.4
132.09315	2.3
133.06503	2.4
133.09209	3.0
133.10146	34.5
135.08040	16.3
135.11748	10.4
137.09634	14.7
139.11189	2.4
141.06996	4.5
142.07767	12.1
143.08586	22.3
144.09343	5.3
145.06516	1.9
145.10132	41.1
146.10495	3.6
147.08092	22.1
147.11719	14.5
148.12001	1.8
149.09637	8.3
149.13315	2.1
149.24536	1.9
151.07600	9.1
151.11174	3.2
154.07767	2.3
155.08589	8.8
155.10654	5.0
156.09392	10.0
157.10147	34.5
158.10721	4.5
159.08078	4.3
159.11716	29.3
160.08838	6.0
160.12148	1.7
161.09558	6.5
161.13268	6.9
163.11143	11.0
165.07045	3.3
165.07678	2.8
165.09119	52.3
166.09332	1.5
167.08583	5.0
168.09346	3.6
169.10138	18.6
170.10817	4.9
171.11708	21.7
172.12373	3.1
173.09595	5.0
173.13283	10.9
174.13539	2.1
175.11203	7.8
175.14842	6.1
176.11717	1.9
177.12727	2.8
179.08597	5.4
179.10632	2.3
180.09290	2.0
181.10170	8.0
181.12253	7.8
182.10895	7.3
183.11703	17.4
184.12070	3.3
185.13303	10.1
187.11238	4.1
187.14842	8.8
189.12752	5.4
191.14117	3.9
193.10225	3.0
193.12212	3.1
194.10814	5.3
195.11714	13.8
196.12395	3.9
197.13272	15.3
198.13855	3.0
199.14876	5.6
200.15395	2.2
201.12831	2.7
201.16365	2.0
203.14337	16.6
206.10873	2.5
207.11739	5.1
207.13847	5.5
208.12386	3.3
209.13281	10.5
209.15019	2.3
210.13879	3.5
211.11082	1.7
211.14891	8.4
213.12685	3.2
213.16359	3.4
215.14310	3.9
219.11754	2.6
220.12488	1.9
221.13348	6.0
221.15370	100.0
222.13802	2.5
222.15738	6.2
223.14830	5.2
225.12762	1.6
225.16385	5.7
227.14389	1.9
234.16135	3.9
235.14728	4.7
235.16844	2.3
236.15372	1.7
237.16412	3.8
239.17941	2.7
245.13165	3.1
247.14754	2.9
247.17021	3.8
248.17299	2.3
249.16344	3.5
251.18030	3.7
259.14774	2.3
263.18027	2.3
265.19290	2.8
269.19138	2.2
273.18668	1.7
279.32663	1.9
286.19162	2.8
287.20047	5.8
299.20206	3.1
300.20651	3.0
301.21564	5.1
313.21405	1.9
325.21536	2.4
338.22235	2.0
352.24005	4.9
353.24304	4.9
365.24701	1.7
366.25333	2.1
367.26376	4.1
375.26932	2.3
420.29312	1.6
421.31339	1.8
440.29352	2.4
441.29602	3.8
491.35089	6.7
509.36292	3.2
521.28986	1.7
521.35999	9.6
565.40723	2.2
583.41241	8.5
601.42462	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03936	3.9
55.05508	5.9
55.46071	1.1
57.07080	9.1
58.00457	0.9
59.04994	4.0
61.71634	1.1
65.03942	2.0
67.05506	12.1
69.03428	8.1
69.07074	6.4
70.71665	3.1
71.05002	1.1
79.05497	14.9
81.07059	22.7
82.07339	1.0
83.04988	3.3
83.08615	3.1
85.06543	4.6
89.33249	1.1
91.05482	26.3
92.05798	1.4
93.07053	41.7
94.07382	1.3
94.60381	1.3
95.04975	8.7
95.08615	21.4
97.06527	4.4
103.05486	1.5
105.07041	43.6
106.07338	1.6
107.08598	22.8
108.08935	1.8
109.06529	9.3
109.10174	11.9
111.08096	2.0
115.05460	1.9
117.07035	11.1
119.08586	46.0
120.08915	3.3
121.06544	6.4
121.10146	21.7
122.07376	1.8
122.10493	1.7
123.08088	15.8
123.11726	2.0
125.05997	5.1
125.09589	1.2
128.06219	4.3
129.07007	6.1
130.07776	3.6
131.08594	16.4
133.06519	2.7
133.10138	24.7
134.10529	1.6
135.08057	13.7
135.11716	6.3
137.05977	2.3
137.09616	13.4
139.07533	1.4
141.06982	3.0
142.07787	8.8
143.08583	16.0
144.09337	3.4
145.10132	30.9
146.10484	3.5
147.08069	26.4
147.11717	8.0
148.08376	1.9
149.09608	6.4
151.07567	14.4
151.11163	1.2
153.09113	1.2
155.08533	8.2
156.09363	6.7
157.10133	21.6
158.10587	3.8
159.08070	4.5
159.11696	18.2
160.08484	1.5
160.12148	2.1
161.09637	7.6
161.13243	5.2
163.11185	10.5
164.11526	1.4
165.06956	2.6
165.09134	51.0
166.09457	3.4
167.08620	2.8
168.09259	2.5
169.10144	10.3
170.10811	4.1
171.11708	11.7
172.12437	1.9
173.09605	4.5
173.13252	7.3
175.11253	7.4
175.14856	5.0
176.11665	3.0
177.09216	1.7
177.12744	1.3
178.09616	1.3
179.08577	2.9
179.10625	1.7
179.14255	1.0
180.09285	2.0
181.10120	5.9
181.12254	8.0
182.10837	4.0
182.12650	2.4
183.11676	10.8
184.12241	1.9
185.09601	2.0
185.13287	9.4
187.11203	2.8
187.14827	3.7
189.12733	4.1
190.13438	3.3
191.10637	2.1
191.14246	2.5
192.09348	1.8
192.11406	1.7
193.10197	2.3
193.12218	3.0
194.10927	2.9
195.11716	6.6
195.13461	1.1
196.12344	3.2
197.13257	7.0
198.10371	1.3
199.11221	1.7
199.14836	2.7
200.15260	1.2
201.12698	3.1
203.10744	1.3
203.14323	19.9
204.14693	2.7
205.10139	1.6
207.11728	4.2
207.13832	9.5
208.12383	2.3
208.14278	2.2
209.13248	6.3
209.15277	3.3
210.13808	3.1
211.11128	2.6
211.14810	4.9
212.15372	2.3
213.16299	1.3
215.14212	2.2
216.15184	1.3
219.13878	2.6
220.12419	2.4
221.13396	5.2
221.15370	100.0
222.13913	1.9
222.15758	8.9
223.11050	1.2
223.14796	3.8
225.16356	2.0
225.88988	1.3
227.14330	2.8
233.13304	2.1
233.15375	1.6
234.13986	1.2
234.16081	4.8
235.14673	2.6
235.16809	2.6
236.15533	2.3
237.16360	3.8
239.17889	1.6
241.15871	1.4
242.16216	1.2
245.15477	1.3
247.14745	1.8
247.16966	6.9
248.17406	3.6
249.16429	1.7
251.17894	1.4
253.15938	1.4
259.17072	2.4
261.16223	1.4
261.18811	1.2
263.18008	2.2
265.19537	2.4
271.17020	2.3
274.19135	2.8
275.19910	2.0
279.17535	2.1
283.20599	2.2
285.18912	1.2
286.19296	2.9
287.19943	5.4
288.20441	1.9
291.21078	1.7
297.22211	1.8
299.19992	4.5
300.20590	6.7
301.21603	4.8
311.20007	1.7
312.20825	1.9
313.21399	3.9
325.21722	2.3
326.22003	3.9
339.23157	1.6
340.23990	3.0
341.24350	3.1
352.23816	3.9
353.24625	5.7
366.25452	1.4
367.26410	4.5
392.26865	2.0
393.27777	2.9
419.29724	1.5
420.29721	1.4
426.27319	2.6
427.28183	2.6
428.28729	4.3
440.29218	3.7
441.29547	11.1
491.35236	8.1
509.36246	4.5
513.14392	1.1
521.35858	8.9
583.41675	9.8
601.42401	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01881	1.8
55.05503	5.9
56.70429	1.6
57.07077	10.9
59.05005	3.8
65.03946	2.5
67.05501	11.6
69.03416	6.4
69.07059	7.9
71.05730	3.2
71.35022	1.8
78.04246	1.5
79.05508	12.0
81.07068	15.9
83.04984	5.0
83.08603	4.8
85.06564	4.1
86.06902	1.8
89.06027	7.6
91.05480	23.5
93.07050	28.7
94.07380	2.3
95.04962	8.1
95.08603	22.4
97.06544	4.9
105.04493	1.7
105.06367	3.2
105.07037	40.9
107.08602	20.6
109.06545	9.3
109.10145	9.7
111.08113	2.7
115.05437	2.1
117.07019	10.3
119.08578	40.2
120.08958	1.8
121.06506	5.2
121.10152	20.3
123.08064	16.2
123.11769	3.0
125.05976	5.0
128.06226	4.9
129.07021	7.3
130.07845	2.3
131.08597	15.9
132.09004	2.2
133.08632	2.8
133.10135	21.7
135.08031	10.6
135.11700	7.9
137.09645	12.9
139.11104	2.0
141.06993	5.4
142.07745	7.1
143.08580	15.8
144.09296	3.5
145.10143	24.6
146.10431	4.5
147.08044	23.6
147.11670	6.1
149.09621	7.0
151.07561	11.0
155.08551	7.2
155.10677	1.9
156.09309	6.7
157.10130	25.0
158.10645	2.3
159.08054	3.2
159.11682	15.5
160.08858	2.6
160.12021	3.2
161.09555	7.5
161.13251	6.5
163.11150	6.9
165.09114	46.1
166.09430	4.0
167.08536	4.0
169.10095	7.6
170.10745	4.2
171.11723	13.1
173.09598	3.4
173.13246	8.2
175.11174	5.6
175.14832	3.4
177.09109	2.3
179.08578	3.5
179.84726	2.0
181.10126	5.1
181.12247	7.5
182.10866	3.2
183.11748	8.6
184.12120	2.0
185.13269	7.3
187.11261	2.6
187.14848	4.1
189.12732	3.5
190.13399	2.2
191.14261	2.4
193.10197	3.0
193.12228	3.0
194.10864	3.5
195.11659	5.0
197.13254	6.7
198.13771	2.5
199.14828	3.1
203.14308	15.2
206.10728	2.2
207.11859	3.3
207.13748	4.5
209.13232	6.8
209.15173	2.8
211.14925	4.0
213.12807	1.8
213.16429	2.3
219.11703	2.1
219.13782	2.1
221.13364	4.6
221.15359	100.0
222.15752	7.9
223.14877	2.0
225.12859	1.9
225.16373	2.9
227.14432	2.2
228.59732	1.8
234.16217	3.8
235.14558	2.2
235.16605	2.5
237.16402	3.2
247.16959	5.2
248.17255	2.5
251.18036	2.8
274.19299	2.5
286.19287	2.9
287.20123	4.4
299.20023	2.6
300.20551	2.9
301.21689	2.2
313.21573	2.9
325.21582	2.6
326.21994	2.4
352.23816	2.5
353.24274	6.6
365.24557	2.2
441.29599	2.8
451.42508	1.7
459.05182	2.0
491.35287	8.6
509.35803	6.3
521.36078	12.0
583.41089	5.9
600.66211	2.1
601.42322	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
53.84214	1.9
55.01873	3.4
55.05519	19.7
57.07088	16.7
59.04996	2.9
60.22251	2.0
67.05505	31.1
67.98946	1.9
69.03423	14.8
69.07072	18.5
70.98903	4.3
71.04999	5.1
77.03925	2.2
79.05495	29.4
81.03413	4.7
81.07057	49.4
83.04982	15.2
83.08637	11.9
84.08965	1.9
85.02911	2.5
85.06535	11.8
85.89317	1.9
87.04463	3.8
89.06011	2.0
91.05479	52.7
92.05816	2.7
93.07049	69.0
94.07394	3.1
94.53587	2.0
95.04974	15.1
95.08037	3.7
95.08614	47.0
97.06533	13.7
103.05486	4.2
105.04549	4.3
105.07036	90.4
106.07352	5.9
107.04970	7.7
107.08598	65.8
109.06517	16.0
109.10164	33.2
111.08074	7.5
113.06029	3.8
113.09643	7.3
115.05445	4.5
116.06206	2.7
117.07034	19.0
119.08590	86.2
120.08910	4.7
121.06503	9.5
121.10152	54.3
122.10473	2.3
123.08064	31.4
123.11714	8.4
125.05990	5.3
125.09655	10.0
128.06198	11.0
129.07014	17.9
129.09137	3.0
130.07791	7.4
131.08575	38.2
132.08958	4.8
132.18198	2.3
133.06522	3.7
133.10136	47.2
134.10497	3.3
135.08064	16.5
135.11702	17.8
137.09630	21.5
137.13174	2.7
139.11200	5.2
141.07007	5.7
142.07788	18.7
143.08589	31.4
143.29222	1.9
144.09421	11.7
145.06427	3.3
145.10129	69.3
146.10541	7.7
147.08063	23.9
147.11688	26.7
148.12068	2.0
149.09648	13.2
149.13225	4.2
151.07530	13.3
151.11214	3.8
153.06950	3.8
153.12669	2.1
154.07764	3.8
155.08539	16.1
155.10622	13.0
156.09363	15.5
157.10143	58.8
158.10843	9.9
159.08072	7.6
159.11699	46.0
160.08778	2.7
160.12064	3.4
161.09624	7.5
161.13237	12.9
163.11203	21.0
163.14841	2.9
165.07057	3.8
165.09138	37.5
167.08578	8.7
167.10780	4.2
168.09306	3.0
169.10139	26.5
170.10805	9.2
171.08093	2.8
171.10403	3.6
171.11723	36.6
172.12357	4.5
173.09576	4.7
173.13275	25.3
174.13748	2.5
175.11169	13.8
175.14804	12.7
177.09055	3.6
177.12683	2.9
179.08583	6.3
179.14044	2.0
181.10112	16.3
181.12201	14.7
182.10922	9.1
183.11682	22.1
184.12419	3.1
185.13254	19.8
186.13794	3.1
187.11165	5.4
187.14836	11.7
189.12778	9.3
191.14357	5.7
193.10162	12.0
193.12189	3.9
194.10889	6.0
195.11691	21.6
195.13510	3.5
196.12392	8.5
197.13254	25.4
198.13632	4.5
199.11220	4.6
199.14786	13.5
201.12672	3.3
201.16425	6.0
203.14302	16.5
205.10083	3.2
205.15950	2.4
206.10884	4.0
207.11716	14.9
207.13824	9.1
208.12486	5.0
209.13261	19.0
210.13724	3.7
211.11295	2.3
211.14807	13.7
212.15263	3.3
213.12823	5.6
213.16370	6.8
215.14378	7.2
217.15884	4.0
219.11581	2.4
220.12393	3.8
221.13228	11.8
221.15338	100.0
221.17560	5.0
222.13754	3.9
222.15715	4.8
223.14864	13.0
224.15392	3.7
225.12683	3.2
225.16400	9.9
226.01497	2.1
226.16760	2.8
227.14348	2.7
227.17921	2.1
229.15773	3.4
231.13959	2.1
233.13234	4.8
233.15399	3.1
234.13957	3.3
235.14886	9.8
235.16910	2.7
236.15488	3.3
237.16394	8.3
239.17999	5.5
241.15776	2.3
241.19576	2.2
247.14624	3.6
247.16885	5.0
249.16324	6.1
250.17096	2.7
251.17932	3.3
255.17436	3.5
257.18930	2.7
259.14725	2.5
261.16479	6.1
262.17029	3.2
263.18002	5.6
265.19455	3.8
267.12112	4.8
269.18973	2.9
271.16995	3.1
274.18958	3.3
275.17746	3.1
277.19440	2.7
281.18872	3.1
282.19327	2.6
283.20657	3.9
286.19290	2.9
287.20139	5.3
289.19418	2.4
299.20157	4.1
300.20871	4.7
323.18500	4.4
337.27521	2.4
338.27756	2.8
352.24179	3.4
353.24341	6.8
491.35037	7.5
521.35925	8.6
565.39813	2.6
583.42059	13.0
601.35980	8.1
601.42255	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98999	0.7
53.03920	1.5
55.01847	0.8
55.05512	6.7
57.07072	7.7
59.04953	2.1
60.50917	0.7
61.44209	0.8
65.03891	1.8
67.05508	13.9
69.03444	6.8
69.07076	6.1
70.83794	1.4
70.84164	1.5
71.01334	0.8
71.04964	1.0
76.13670	0.8
77.03891	1.0
78.59825	0.7
79.05492	11.7
81.03364	0.9
81.07064	17.3
81.07516	0.8
82.07345	0.8
83.05000	4.1
83.08565	2.8
85.06537	4.1
89.05988	1.2
91.05482	21.8
92.05750	1.0
93.07050	36.2
95.04977	7.1
95.08611	20.8
97.06534	3.6
97.10133	0.8
103.05425	1.8
105.04503	1.2
105.07034	39.3
106.07324	1.3
107.04910	0.8
107.08595	21.8
109.06514	7.8
109.10159	10.4
111.08026	2.8
115.05418	1.2
116.06144	0.8
117.07027	9.1
119.08585	37.9
120.08868	2.0
121.06532	5.5
121.10147	19.8
123.07195	1.0
123.08067	15.8
123.11657	2.3
125.05997	3.8
125.09589	1.7
126.99119	0.7
128.06232	3.4
129.07008	7.2
130.07800	3.7
131.07718	0.9
131.08578	14.8
132.09239	0.9
133.06456	2.0
133.08585	0.8
133.10135	20.0
135.08058	10.0
135.11684	6.0
137.05984	0.8
137.09624	13.7
138.09926	1.0
139.07567	1.4
139.11128	1.1
141.06961	3.0
142.07820	7.2
143.08577	14.5
144.09372	4.0
145.06429	1.2
145.09035	1.3
145.10132	25.5
146.10583	1.4
147.06943	1.1
147.08055	21.2
147.11705	6.8
149.09663	4.4
149.13260	1.5
151.07530	13.3
153.06985	1.6
153.09096	1.1
154.07721	1.4
155.08554	5.5
155.10620	1.3
155.32632	0.7
156.09355	6.4
157.10130	17.9
158.10727	2.5
159.08084	3.5
159.10445	0.9
159.11700	15.4
160.08777	1.6
161.09618	4.8
161.13222	5.4
163.11198	7.8
165.06906	1.8
165.09122	48.5
166.07663	1.4
166.09390	0.7
167.08488	3.0
167.10626	1.7
168.09306	2.7
169.10098	7.4
170.10812	3.4
171.11710	11.3
172.12309	1.4
173.09534	2.4
173.13269	6.5
174.10365	1.0
174.13806	0.8
175.11168	3.0
175.14798	5.7
177.09076	1.7
177.12727	0.9
179.08502	2.9
179.10672	1.4
180.09290	1.5
181.10175	5.4
181.12222	6.1
182.10954	3.5
182.12434	1.0
183.11664	8.9
184.12204	1.4
185.09616	1.2
185.13280	8.0
187.11159	1.7
187.14774	3.0
189.12721	2.7
190.13374	0.9
191.14299	1.2
192.09329	1.1
193.10104	2.7
193.12169	1.4
193.15982	0.9
194.10915	2.0
195.11734	6.8
196.12373	2.2
197.13232	6.3
198.13718	0.9
199.11127	2.1
199.14839	3.0
201.12633	1.7
201.16417	1.7
203.14330	20.0
204.14647	1.2
205.10081	1.0
206.10883	1.2
207.11703	3.0
207.13788	5.6
208.12447	1.5
208.14331	1.3
209.13231	6.9
209.15295	1.8
210.13893	1.1
211.11111	1.7
211.14754	4.7
213.12715	1.2
213.16383	1.5
215.14275	1.4
219.11728	1.3
220.12358	1.7
221.13489	4.0
221.15361	100.0
222.13864	1.1
222.15732	3.4
223.14830	3.1
224.15424	0.9
225.12846	1.2
225.16319	2.0
227.14305	1.7
233.13208	1.8
233.15370	1.7
234.13676	0.9
234.16011	1.8
235.14809	3.1
235.16852	1.3
236.15398	0.8
237.16341	2.4
239.14124	1.0
239.17961	1.7
241.15900	0.9
243.13907	1.2
245.15503	0.9
247.14743	1.1
247.16913	2.1
249.16299	2.0
251.17973	2.0
255.17545	0.9
259.14713	1.1
261.16266	1.2
263.17972	1.6
265.19604	1.0
268.52066	0.7
271.17184	1.2
275.17889	1.0
277.19620	1.3
281.19092	0.9
286.19403	1.4
287.20203	4.3
293.18927	1.1
295.20575	1.1
299.20142	2.0
300.20813	1.9
301.21640	2.1
311.20050	1.6
312.20642	1.1
313.21600	1.6
325.21603	1.3
326.22156	1.0
352.23907	4.5
353.24258	4.9
365.24985	1.5
366.25336	1.4
367.26364	2.7
377.24597	1.1
378.25720	1.3
379.26318	1.2
393.27750	1.5
425.30710	1.0
455.31784	1.4
491.35349	7.8
509.36331	4.2
514.07440	1.0
520.35944	1.4
521.36078	10.3
565.40515	2.0
583.41559	7.6
601.33960	1.8
601.42737	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05499	8.7
55.88182	2.3
57.07064	9.2
59.04982	2.5
67.05514	18.0
69.03419	10.3
69.07065	9.8
69.87715	11.1
77.25095	2.5
79.05502	17.2
81.07066	25.2
83.04976	5.4
83.08611	6.8
85.06530	4.2
89.06020	4.6
91.05486	25.5
93.07058	40.3
95.04967	15.0
95.08621	25.8
97.06530	5.1
98.20813	3.4
105.07041	44.2
107.08612	30.4
109.06511	9.7
109.10163	13.1
111.08073	3.1
115.05450	2.3
117.07021	9.7
119.08596	56.8
120.08883	2.8
121.06528	6.3
121.10162	24.5
123.08087	19.0
123.11712	3.8
125.06008	4.2
125.09623	2.8
128.06203	6.3
129.06967	8.8
130.07800	3.8
131.08615	19.2
133.10133	31.5
135.08086	14.1
135.11684	6.6
137.09634	12.7
141.07097	3.6
142.07718	6.1
143.08586	17.5
144.09280	3.5
145.10146	34.7
146.10504	5.3
147.08052	29.1
147.11664	9.6
149.09575	5.2
151.07553	12.5
155.08574	4.8
156.09302	7.1
157.10123	24.1
158.10768	4.9
159.08064	4.2
159.11682	19.2
161.09590	6.7
161.13239	9.7
163.11192	8.1
165.09129	51.5
165.12672	2.5
167.08572	3.6
169.10123	10.1
170.10835	5.6
171.11667	18.2
172.12199	2.6
173.09592	4.3
173.13208	9.2
175.11234	4.1
175.14851	7.7
179.08604	3.3
181.10025	3.7
181.12254	6.8
182.10931	5.3
183.11679	10.2
185.13216	10.2
187.11020	2.9
187.14761	5.3
189.12730	5.5
191.10733	2.6
191.14232	2.8
193.10068	4.0
194.10786	2.3
194.65375	2.7
195.11667	8.8
196.12259	3.3
197.13220	12.6
198.13840	2.2
199.11241	3.2
199.14798	3.0
201.16389	2.4
203.14352	22.0
205.10150	2.9
207.11739	6.0
207.13773	6.7
208.12346	4.5
209.13200	7.0
209.15085	2.5
215.14297	3.0
219.13705	3.2
221.13452	5.4
221.15373	100.0
222.15746	5.8
223.14754	4.6
233.13251	2.9
235.14798	3.9
287.20035	6.5
307.20801	3.2
350.25824	2.6
352.23859	7.5
353.24390	9.2
365.24777	4.2
375.26691	3.6
391.27036	2.5
491.35266	10.7
520.34869	3.3
521.36066	18.0
583.41693	9.1
601.42664	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.05515	17.6
57.07064	9.4
59.05000	4.1
60.97243	1.9
61.06011	1.8
61.39446	2.0
65.03931	5.9
67.05211	2.4
67.05511	31.7
69.03439	15.1
69.07069	21.2
70.85193	5.8
71.04987	3.4
71.18154	1.8
79.05501	40.1
81.07063	42.3
83.04990	17.5
83.08633	10.9
83.58394	1.8
85.06548	5.7
87.04476	4.4
89.06026	7.8
91.04953	3.5
91.05489	50.7
91.36411	2.1
92.05807	3.0
93.03712	1.9
93.07054	70.0
93.70260	1.8
95.04975	23.2
95.08611	42.3
96.08911	2.6
97.06537	14.1
103.05475	5.6
105.07038	100.0
105.86053	1.7
106.07343	4.1
107.04936	3.4
107.08602	76.8
109.06528	17.0
109.10172	26.9
111.08105	4.3
111.11686	2.2
113.09637	3.9
115.05453	9.0
116.06248	3.6
117.07032	24.5
119.08589	91.6
119.18717	1.8
120.08928	2.3
121.06541	11.1
121.09290	4.1
121.10152	76.3
123.08092	20.5
123.11714	10.1
125.09650	13.2
128.06252	12.4
129.07040	18.0
130.07787	9.2
131.08591	39.7
133.06500	3.5
133.08583	3.2
133.10130	54.2
133.11069	4.2
134.10443	2.7
135.08060	15.4
135.11722	16.7
137.09637	13.7
139.11179	5.6
141.07011	8.8
142.07787	20.2
143.08566	42.6
144.09285	8.3
145.06509	3.0
145.10139	68.3
146.10541	3.3
147.08049	15.2
147.11703	22.7
149.09633	16.6
149.13245	3.8
151.07556	10.9
151.11183	5.4
154.07739	3.0
155.08574	15.9
155.10667	6.3
156.09364	19.2
157.10144	52.0
158.07288	2.7
158.10814	9.0
159.08067	15.1
159.11694	40.8
160.12164	3.1
161.09624	14.8
161.13280	9.0
163.11209	11.8
165.07051	5.4
165.09142	16.0
166.07797	3.7
167.08618	9.9
167.10690	52.5
168.09283	5.7
169.10114	26.8
170.10774	8.6
171.11723	34.3
171.13139	3.8
172.08850	3.0
172.12202	3.6
173.09605	9.3
173.13289	22.4
175.11157	12.6
175.14818	15.5
177.12712	3.9
179.08583	10.4
180.09315	4.0
181.10092	14.0
181.12244	6.4
182.10934	9.9
183.11699	29.8
184.12393	7.2
185.09596	4.2
185.13277	19.9
186.10313	2.2
186.13750	3.5
187.11215	6.4
187.14850	11.0
189.12753	9.2
191.08595	2.0
191.14299	5.7
192.09329	4.1
193.10144	12.2
194.10945	11.5
195.11700	23.5
196.12416	8.9
197.09590	2.3
197.13274	26.0
199.11186	4.2
199.14874	12.2
201.12691	4.7
201.16357	6.3
203.14313	10.0
205.10136	3.2
205.15817	3.1
206.10835	5.9
207.11682	14.7
207.13712	4.8
208.12437	9.2
209.13287	24.0
209.15166	4.2
210.13908	4.6
211.11116	2.9
211.14772	15.1
212.15269	2.6
213.12846	5.5
213.16379	7.0
215.14273	5.7
217.10083	2.6
217.15816	4.8
220.12431	2.8
221.13240	15.1
221.15387	41.7
223.11230	2.6
223.14799	18.5
224.15399	2.5
225.12796	2.5
225.16359	7.0
226.13263	2.1
227.14537	4.3
231.11665	3.4
233.13210	5.6
233.15382	30.0
235.14674	10.8
236.15419	3.6
237.16347	7.5
239.18021	2.9
241.15797	2.4
243.11868	2.4
245.13269	5.8
246.13950	3.4
247.14665	5.6
247.16881	2.5
248.15344	2.8
249.16351	5.8
251.17857	6.4
253.19550	4.5
255.17479	6.9
256.17694	5.4
257.13208	3.9
257.19147	2.6
259.14886	4.4
261.16382	5.6
265.19666	5.0
267.17477	3.7
269.19000	7.8
273.16055	2.6
273.18665	4.9
275.17923	4.0
277.19415	3.3
279.17444	3.2
281.19177	4.0
283.20462	4.8
285.18646	4.7
289.19543	5.1
291.21149	2.5
293.19183	3.1
295.20541	3.8
297.22073	2.2
299.20306	3.7
301.21732	3.0
331.24100	3.0
361.25266	4.5
365.24731	2.9
367.26297	2.8
373.25629	2.6
416.82120	2.2
491.34830	4.1
565.40112	5.1
583.41327	9.7
601.27014	19.9
601.43152	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	601.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.4
53.03940	7.9
55.01862	2.3
55.05511	24.1
57.03425	2.7
57.07079	16.3
59.04990	5.3
65.03924	4.5
67.05509	33.9
69.03423	17.4
69.07072	24.2
71.04982	5.2
71.08627	2.0
79.05499	44.6
81.03430	15.0
81.07068	45.8
82.17445	1.6
83.04993	17.7
83.08620	15.3
85.06514	6.8
85.10181	3.1
85.24226	1.6
87.04448	4.4
89.06030	3.1
91.05484	64.2
92.05787	2.3
93.07051	79.7
94.07393	2.5
95.04977	21.5
95.08029	3.4
95.08612	41.3
97.06539	11.1
97.10162	4.4
99.08089	2.4
103.05469	6.5
105.04530	3.3
105.07037	96.9
106.07380	5.2
107.04952	4.9
107.08599	76.8
108.08932	2.6
109.06527	16.9
109.10158	32.6
110.10468	1.9
111.08092	5.8
111.11703	2.0
113.09657	3.5
115.05424	9.4
116.06273	2.2
117.07036	22.7
119.04945	2.2
119.08583	100.0
120.08913	3.4
121.06530	13.0
121.09291	4.0
121.10150	66.9
122.10465	2.4
123.08070	22.6
123.11702	10.1
125.05929	3.5
125.09644	12.3
128.06201	14.3
129.07002	20.6
130.07854	8.6
131.08589	49.7
132.09169	2.2
133.06487	6.2
133.07465	1.8
133.10138	57.4
134.10483	2.6
135.08051	21.2
135.11707	19.8
137.09651	13.5
139.11150	2.8
141.07010	11.4
142.07791	26.9
143.08583	44.3
144.09384	12.5
145.06528	5.0
145.10129	65.9
146.10503	4.0
147.08055	19.2
147.11687	26.0
149.09653	14.4
149.13240	5.6
151.07555	10.5
151.11201	3.4
152.06163	1.8
153.07010	5.4
154.07755	4.4
155.08556	19.1
155.10667	6.3
156.09348	21.7
157.10139	56.5
158.10738	7.1
159.08086	12.9
159.11694	42.0
160.05197	2.8
160.08803	2.9
160.12148	3.3
161.05977	2.2
161.09602	13.7
161.13249	6.5
163.11243	12.8
165.06964	7.7
165.09122	21.8
166.07826	2.6
167.08614	10.8
167.10687	47.3
168.09320	7.0
169.10133	29.0
170.10931	9.6
171.08119	4.0
171.11699	29.1
172.08749	2.5
172.12170	5.5
173.05984	2.4
173.09593	8.6
173.13274	23.6
175.11249	10.0
175.14851	14.7
177.09094	2.1
177.12715	2.0
179.08559	13.0
179.14354	2.1
180.09293	6.6
181.10170	13.7
181.12238	8.2
182.10919	11.1
183.11700	26.5
184.12335	3.7
185.09669	4.1
185.13239	17.1
186.13748	1.9
187.11229	5.0
187.14796	8.2
189.12733	7.8
190.13637	2.2
191.14291	7.3
192.09262	3.4
193.10172	12.3
194.10855	9.3
194.60280	2.0
195.11697	20.3
196.12434	8.6
197.09589	2.1
197.13277	24.6
198.13704	3.4
199.11240	4.5
199.14853	12.4
201.12714	5.2
201.16420	7.8
203.10652	1.7
203.14313	12.2
205.10168	2.7
205.15866	2.0
206.10918	6.0
207.11693	16.6
207.13565	3.1
208.12369	5.6
209.13283	22.8
209.15146	3.6
210.13847	4.0
211.11189	3.0
211.14783	17.1
212.15469	2.4
213.12740	4.5
213.16365	5.6
215.14331	8.0
217.10251	2.1
217.15913	3.0
219.11768	4.4
220.12413	5.1
221.13208	13.8
221.15378	50.9
222.13901	5.0
223.14799	13.4
224.15318	2.4
225.12788	4.5
225.16432	8.4
227.14317	4.0
230.10887	2.7
231.11603	4.0
232.12465	2.3
233.13220	6.6
233.15379	25.0
234.13785	3.2
234.16020	2.9
235.14810	11.7
235.16824	2.6
237.16322	6.4
239.14333	2.7
239.18015	2.0
243.11545	2.6
243.17297	1.9
244.12505	1.9
245.13281	3.8
247.14815	5.5
247.16980	2.8
249.16435	6.3
251.14212	2.4
251.17989	3.6
253.19386	2.0
255.17477	7.1
256.17767	3.4
257.19037	3.5
259.14865	4.8
261.16296	3.9
262.16943	2.8
263.17902	4.8
264.18555	2.8
265.19562	6.5
268.17789	2.0
269.18948	8.5
271.13266	7.3
271.20377	2.0
273.18665	3.8
275.17853	4.1
277.19464	5.6
281.18997	5.0
283.20532	5.7
285.18552	3.5
287.20074	4.4
289.14386	3.4
289.19370	3.0
290.20270	2.3
295.20630	3.3
297.22086	3.4
299.20139	3.8
301.21756	3.0
311.20056	4.2
313.27325	6.4
317.22653	3.8
349.25079	2.0
351.22769	2.1
359.23749	2.6
361.25345	2.4
365.24625	2.4
371.23785	1.8
396.00687	2.0
491.34781	5.1
521.36304	3.1
565.40564	3.8
583.41461	10.1
601.42322	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
61.02924	0.7
69.03403	1.3
69.26019	1.3
69.26408	5.8
70.06577	2.0
78.04702	1.1
79.05482	2.4
81.03405	1.1
81.07053	0.8
84.08114	0.6
85.02880	1.6
86.09696	1.1
91.05463	2.7
95.04997	1.3
96.52497	0.6
97.02885	1.1
97.06572	0.8
98.97560	0.7
99.63889	0.6
103.05479	2.7
105.07034	5.0
106.04182	1.4
107.04967	5.6
109.02877	1.2
109.06474	0.6
115.05478	1.2
117.07030	1.0
119.04890	1.1
121.02851	0.8
121.06492	1.6
123.04437	4.9
124.05208	2.0
131.04932	5.8
131.07262	0.7
131.08527	1.2
133.06493	5.5
135.08046	1.5
136.06186	10.4
137.05966	3.2
141.06972	0.7
143.05025	0.6
143.08533	0.9
145.06482	2.7
145.10158	0.6
147.04405	2.5
151.03889	1.5
151.07549	3.5
152.04681	1.7
153.05528	0.7
157.10165	0.6
159.08104	1.5
161.05989	5.1
163.07553	11.0
165.05707	0.7
167.07042	100.0
173.06015	1.1
173.09760	0.9
175.07539	1.9
177.05469	1.7
177.09109	2.6
178.05968	0.7
179.07016	2.3
181.08574	4.4
187.07570	1.9
191.07027	0.7
192.07738	0.7
193.08615	15.3
201.09166	1.4
205.08702	0.7
207.06554	1.0
207.10143	0.8
209.08145	0.8
219.10194	1.8
233.11754	3.5
237.11247	2.5
251.12851	1.2
263.10703	1.1
269.70432	0.7
291.10129	1.2
323.12784	2.5
325.09882	0.7
330.19272	1.2
355.15433	10.9
362.36493	0.6
387.18039	10.9
405.19104	20.4
422.23932	3.2
549.07587	0.7
565.06781	0.6
573.98645	0.7
584.29279	1.5
602.31830	0.8
605.27295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04683	0.6
67.05522	0.8
69.03428	1.2
69.73380	2.3
69.73785	1.5
70.06577	1.0
78.04713	2.0
79.05508	2.9
81.07067	0.9
83.72603	0.6
85.02902	2.2
91.05477	1.7
95.04976	1.1
97.02902	0.8
99.04483	0.8
103.05446	2.8
105.07018	4.0
106.04167	1.2
107.04969	6.7
109.02864	0.8
111.04436	0.6
115.05482	1.3
117.07011	1.2
119.04931	1.1
121.06501	1.4
123.04408	5.3
124.05209	2.0
125.06030	0.6
131.04951	5.1
131.08562	0.8
133.06479	4.8
135.08011	1.0
136.06207	6.9
137.05969	3.1
145.06479	1.9
147.04395	1.6
149.05983	0.9
151.03941	0.9
151.07564	2.4
152.04689	2.3
153.05556	0.7
157.06438	0.8
159.08025	1.4
161.06038	5.5
163.07544	13.2
167.07047	100.0
168.07509	0.7
173.05916	1.2
173.09644	2.2
175.07527	2.0
177.05548	0.6
177.09094	3.1
179.07045	3.4
181.08585	4.4
187.07545	2.2
193.08601	14.6
200.41373	0.6
201.09151	1.9
205.08600	0.9
207.06567	0.9
219.10202	2.3
221.11768	0.8
225.72353	0.8
231.08058	1.0
233.11703	2.7
236.96768	0.6
237.11211	2.6
249.11269	1.8
250.11726	1.5
251.12666	1.2
259.07507	0.7
263.10812	0.6
295.13269	0.9
323.12772	2.1
351.25809	0.7
355.15402	12.6
387.18073	10.1
405.19086	21.1
422.23911	2.7
487.56693	0.7
584.29395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05495	5.1
56.96569	1.4
57.07072	1.7
58.99574	1.0
65.03922	1.0
67.05508	16.2
69.03401	1.6
69.07056	6.5
70.06575	1.7
71.08637	1.4
74.00648	1.2
79.05482	6.9
80.05026	1.8
81.03405	1.6
81.07054	14.7
83.04979	1.7
83.06088	1.8
83.08624	1.7
84.04517	6.4
85.02892	2.3
91.05491	6.3
93.07041	7.8
94.06541	1.8
95.04961	3.4
95.08602	12.9
97.06524	2.2
99.01443	1.3
100.02223	1.4
100.50536	1.3
105.07035	5.4
107.08583	4.7
109.10139	3.3
111.02630	1.2
112.02187	4.2
114.03748	4.0
116.01669	3.1
117.07028	1.6
119.08549	3.9
121.10119	3.7
123.08038	1.2
129.06595	1.8
131.08572	1.8
133.10127	3.4
135.11711	2.4
137.09593	2.6
137.13242	3.3
139.11171	1.5
145.10086	2.1
147.04381	2.2
147.11674	2.3
149.02307	1.6
157.66006	1.2
159.11711	1.4
161.13268	1.3
162.12759	1.9
175.14798	1.3
181.12172	1.5
185.03790	1.6
193.04927	2.0
196.11586	4.6
197.12950	1.1
214.16110	1.1
215.04906	3.1
216.05588	1.2
224.08833	1.2
224.11037	19.5
231.04295	3.7
242.12085	35.5
244.22711	1.5
248.39279	1.4
249.22034	1.4
277.21536	6.3
295.22687	4.0
326.21545	1.9
335.20313	3.4
344.14005	8.7
345.14822	2.0
352.23077	13.0
353.21469	3.0
353.34088	1.0
370.24234	6.1
383.96332	1.3
385.08926	2.1
455.25766	100.0
456.26010	2.1
527.27710	6.2
602.30774	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	603.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.5
69.55463	2.7
85.02905	0.6
86.09723	0.6
91.05492	0.8
105.07034	0.6
109.02864	0.5
109.10203	0.5
114.50975	0.4
127.03961	0.5
167.07069	0.8
172.05241	0.4
177.05545	0.7
185.04237	2.2
207.06602	0.6
217.08781	0.4
266.59537	0.4
309.09674	0.5
339.05151	0.4
365.10269	0.7
425.12088	1.1
440.14755	1.2
441.15164	4.5
603.20605	100.0
604.21124	2.8
623.67041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05503	3.0
56.02016	0.5
57.03420	1.2
69.07062	2.7
69.33156	5.6
79.05504	3.9
81.03419	0.7
81.07050	7.5
82.07413	0.6
83.08641	1.1
91.05466	3.7
92.05830	0.9
93.07046	5.4
95.04981	1.3
95.08616	5.0
97.06538	1.2
105.07036	3.7
106.07391	1.1
107.08604	4.0
108.08913	0.8
109.06519	0.8
109.10159	3.0
111.27650	0.7
117.07037	1.3
119.08580	3.6
120.08916	1.2
121.10145	3.8
122.10481	1.1
123.11727	0.8
131.08588	2.2
133.10135	2.7
134.10483	0.7
135.08067	1.2
135.11716	0.9
142.07784	0.8
143.08560	1.1
145.10081	2.4
147.08081	1.1
147.11740	0.9
149.09621	1.0
151.11176	0.8
157.10062	2.0
158.10490	1.2
159.11678	0.9
167.10660	1.5
169.10170	1.2
171.11722	1.0
185.13249	0.7
195.11374	0.7
196.11974	0.7
210.13646	0.9
221.15337	1.1
222.15718	0.9
251.12627	2.5
269.13611	10.2
307.15161	0.8
325.16284	2.2
335.25821	1.9
403.77573	0.6
471.38248	0.7
559.35492	1.2
585.37421	7.1
603.38635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3872
Annotation	UNII-5M144D60TC
Peak:m/z	Relative Intensity
55.05499	1.1
55.40226	0.4
57.03413	0.4
59.06145	0.4
59.35342	0.4
60.17228	0.3
69.03419	0.4
69.07069	1.4
75.85154	0.4
79.05507	2.0
81.07069	3.6
81.81384	0.4
83.04979	0.5
83.08633	1.0
91.05492	1.5
92.05880	0.4
93.07055	2.8
95.04982	0.7
95.08616	3.2
97.06527	0.7
98.21490	1.2
105.07037	1.7
107.08607	2.2
109.06522	0.6
109.10186	1.3
117.06998	0.8
119.08589	2.0
121.10149	1.7
123.08084	0.5
123.11722	0.7
129.07056	0.4
131.08554	0.8
132.08916	0.5
133.10147	1.6
145.10155	0.7
149.09654	0.5
157.10156	0.6
162.82526	0.4
164.90643	0.4
177.05472	0.8
209.03697	0.4
225.10986	0.5
229.63528	0.5
251.12544	2.9
269.13614	7.1
274.73929	0.4
307.15225	1.1
307.50351	0.4
325.16193	4.8
335.25967	1.3
559.36218	0.7
585.37439	7.3
603.38690	100.0
604.39178	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85564	5.4
53.03951	7.9
55.01869	20.9
55.05515	48.9
57.07079	4.4
63.55936	4.3
65.03944	7.1
67.05511	84.7
68.95541	4.4
69.03445	7.4
69.07072	61.7
70.99865	6.6
71.04973	5.4
79.05495	80.0
81.03413	8.1
81.07066	81.4
83.05000	12.5
83.08610	24.4
84.26971	4.4
85.02930	4.6
85.06541	6.6
91.05485	67.9
93.07050	62.3
95.04975	15.8
95.08626	60.6
97.06535	27.0
97.10156	28.7
99.08120	4.6
105.07046	79.4
107.04959	11.7
107.08617	65.9
108.51698	5.5
109.06543	15.9
109.10170	29.0
117.07016	22.2
119.08591	48.0
121.06534	6.5
121.10145	30.2
123.08106	7.4
123.11703	11.9
125.09628	18.8
129.07014	11.2
131.08594	27.9
133.10132	35.3
135.08080	16.1
135.11707	17.0
137.09601	8.4
139.11234	6.4
143.08617	14.0
145.10155	31.2
147.04424	9.2
147.11740	25.0
149.09613	9.6
155.08485	7.9
155.39932	4.8
157.10159	20.3
159.11708	21.8
161.09616	8.4
161.13271	7.8
163.11227	14.6
169.10199	8.1
171.11736	11.4
173.11847	9.4
173.13362	13.5
175.11153	5.4
175.14885	7.5
177.12845	5.9
183.11708	8.6
185.13330	7.4
187.11278	4.9
187.14787	6.6
189.11296	21.0
191.14313	6.1
197.13295	9.1
199.14874	5.8
203.12721	6.0
205.16049	5.0
211.14975	5.7
229.19495	5.5
239.18143	5.7
247.20662	5.8
257.19037	8.8
275.20090	100.0
289.21875	4.6
291.16333	6.2
291.19574	16.9
293.21173	32.3
301.21561	5.2
395.94150	4.7
399.29156	6.8
413.30258	5.5
431.18887	7.8
455.31586	9.6
549.39471	5.2
567.40277	8.5
585.41730	6.5
612.36127	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	603.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01864	16.7
55.05511	38.1
57.03425	7.1
67.05509	77.4
69.03445	7.1
69.07069	57.4
69.26181	9.3
69.26579	37.8
70.06565	5.2
79.05491	72.2
81.03411	10.5
81.07059	75.8
83.04971	12.8
83.08614	19.9
85.02896	6.7
87.19610	5.6
91.04978	5.3
91.05492	67.3
93.07056	74.9
95.04960	14.8
95.08618	59.2
97.06525	17.9
97.10160	32.1
98.21559	6.7
105.07038	71.8
107.04948	7.8
107.08601	59.0
109.06554	11.6
109.10162	23.2
111.08066	7.4
117.06998	26.1
119.08593	42.2
121.06452	5.8
121.10154	30.3
123.11688	6.4
125.09657	23.3
129.07004	14.8
131.08572	34.4
133.10135	40.7
135.08073	11.2
135.11694	13.5
137.09610	6.8
139.11221	7.7
143.08562	12.9
145.10172	26.9
147.04330	8.1
147.11693	20.2
149.09616	12.0
149.13257	7.0
155.08484	5.5
157.10069	13.2
159.11703	25.0
161.13338	7.0
163.11182	7.4
169.10176	8.9
171.11699	14.4
173.11819	6.3
173.13240	16.2
183.11638	7.8
185.13316	7.8
189.11168	19.9
203.12575	6.2
213.16486	8.0
257.19168	6.0
275.20081	100.0
291.19431	9.0
293.21045	22.2
431.18842	15.7
447.84457	5.1
451.01392	6.3
473.32968	5.4
567.40656	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	603.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01883	9.1
55.05516	55.7
57.03442	14.9
57.07079	53.4
65.03944	7.8
67.05162	4.5
67.05507	59.2
69.03450	5.1
69.07076	32.6
70.41051	3.1
71.08630	34.4
71.46511	5.6
71.46864	5.9
79.05507	59.0
81.07060	83.7
83.04982	7.4
83.08624	33.5
85.06548	9.9
85.10186	19.4
91.05489	83.6
91.89032	3.3
93.07049	48.0
95.04980	10.7
95.08620	57.4
97.06551	9.5
97.10177	19.5
99.08174	4.0
103.05469	5.7
105.07034	55.5
107.04963	5.0
107.08598	23.9
109.06500	12.5
109.10146	20.8
111.04472	4.2
115.05459	11.8
116.06253	8.5
117.07018	48.9
119.08601	36.9
121.06523	9.3
121.10129	13.9
123.08057	9.6
123.11701	8.5
125.09615	9.4
128.06233	27.8
129.07002	28.5
130.07811	12.7
131.07584	5.4
131.08577	95.5
133.06506	8.3
133.10132	21.7
135.08058	6.2
135.11691	8.2
137.09688	4.5
141.06972	10.0
142.07764	7.3
143.08566	98.2
145.06557	4.4
145.10132	100.0
147.08003	9.6
147.11684	14.4
149.09631	7.9
149.13252	5.8
155.08540	7.8
157.10162	21.6
159.08080	6.7
159.11734	23.0
161.09636	13.9
161.13300	4.6
163.11099	3.7
167.08659	3.5
169.10109	20.1
171.11629	16.6
173.09683	4.3
173.13240	8.5
175.11270	6.9
181.10165	12.0
183.11731	11.6
185.13333	6.8
195.11705	19.3
209.13274	3.9
213.12727	5.7
227.17981	4.2
237.16359	21.5
239.23706	5.9
241.19482	6.3
255.17445	19.0
259.20581	10.2
273.18506	60.7
291.19586	9.5
311.25888	7.7
313.27390	83.4
327.28790	9.7
347.22147	25.1
349.23761	4.3
585.45422	20.3
603.45807	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	18.9
55.01868	4.9
55.05516	3.9
56.96561	1.3
57.03432	2.9
61.02917	3.3
63.06730	1.0
63.83801	1.0
65.03932	1.0
67.01868	1.0
67.05528	1.5
67.97945	1.0
68.99798	3.6
69.03436	16.7
69.07064	1.5
70.52151	3.9
71.04990	6.1
72.96440	1.0
73.02922	7.2
79.05481	3.3
81.03422	35.0
81.07048	4.2
83.04987	2.3
84.05128	1.2
85.02911	51.0
87.00833	30.2
87.01337	2.3
91.03973	2.3
91.05488	4.0
93.07042	3.5
95.04972	3.0
95.08616	4.7
97.02901	47.9
99.04462	20.9
103.03968	5.9
105.01872	22.6
105.07022	4.3
107.04961	8.8
107.08615	3.3
109.02884	83.5
109.06565	1.7
109.10160	2.9
115.03931	1.4
115.05504	1.3
117.01859	2.9
117.07009	1.5
119.04941	2.0
119.08594	3.1
121.06495	1.6
121.10162	1.1
127.03924	100.0
127.07561	1.4
129.01857	3.2
131.08528	1.3
133.06483	2.4
135.08073	3.1
145.04970	28.1
145.06189	1.9
145.10109	1.8
147.02896	3.2
147.04391	1.8
149.05959	1.5
153.69066	1.3
159.02904	18.9
163.06038	6.3
163.07558	8.7
165.09106	1.8
167.07069	4.6
175.03859	1.7
177.03932	2.1
177.05504	1.8
180.07785	1.2
185.13278	1.4
195.10170	15.8
199.14809	1.6
207.06529	1.9
213.03954	15.8
231.05022	27.7
249.06096	6.3
253.07043	1.8
273.06073	1.9
285.11206	3.3
291.07208	3.9
303.12350	2.9
339.07269	1.5
357.08401	3.3
375.09296	3.1
393.10297	2.5
586.29901	1.4
604.30621	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	605.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
69.03402	0.8
69.29195	0.5
69.29514	5.0
69.56620	0.5
70.06583	1.5
72.08167	0.7
81.03432	0.7
81.07068	0.6
84.08141	0.7
85.02895	0.9
86.09716	0.8
86.36886	0.5
93.06956	0.5
95.04925	0.5
97.02865	0.6
99.12666	0.5
105.06975	0.7
107.05025	0.6
107.08582	0.6
109.02844	0.8
109.10101	0.6
119.04940	1.5
121.02907	0.7
124.84166	0.6
127.03878	1.0
136.07562	0.8
137.05949	0.8
137.41054	0.5
145.02823	0.9
147.04463	0.6
161.06076	0.5
167.06944	0.7
175.03827	1.1
177.05409	0.9
188.67140	0.5
189.05188	6.1
205.04825	0.7
207.06473	1.9
309.09598	0.8
309.55087	0.6
409.11057	2.9
427.13666	1.7
442.15866	1.4
443.16827	4.8
544.04645	0.6
587.17072	1.8
605.19537	100.0
606.19733	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	605.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52622	0.7
60.15556	0.8
69.03435	1.9
69.37083	7.2
70.06593	2.3
72.08139	1.3
81.03394	2.0
84.08119	1.2
86.09693	1.8
87.01434	0.8
93.65800	0.8
96.08237	0.8
97.02882	0.7
105.42710	0.8
106.55496	0.9
107.04971	1.5
109.02862	1.0
122.16953	0.9
127.03963	1.2
137.05994	0.9
140.43098	0.9
145.10109	0.9
167.06958	0.9
177.05466	1.1
185.04308	1.4
189.05261	5.8
207.06535	2.4
409.10818	1.4
427.13614	2.0
442.15918	1.6
443.16687	4.7
491.20026	0.8
587.17096	1.3
605.21808	100.0
606.21118	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	605.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85950	0.7
57.55600	0.6
59.99547	0.8
64.70094	0.6
69.03419	0.9
70.06576	2.6
70.14424	3.1
71.04978	0.7
72.08145	0.7
75.19014	0.6
81.03431	1.3
81.07039	0.7
82.44490	0.6
86.09679	1.1
91.05465	1.4
97.02881	0.7
105.06996	0.9
107.04966	0.9
126.39339	0.7
127.03958	0.9
147.04408	2.3
163.03882	1.2
167.07077	0.9
175.03807	1.4
177.05446	1.2
185.04318	0.8
189.05243	6.1
205.04755	0.7
207.06525	2.2
218.13896	0.6
409.11096	1.5
427.13412	1.5
442.16101	1.6
443.16837	2.9
499.51886	0.8
587.16699	1.4
605.21686	100.0
606.20984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72385	0.9
54.83804	0.8
57.07065	1.5
67.05499	3.2
69.03429	0.8
69.07061	1.3
70.90822	1.9
70.91193	1.8
71.08633	1.2
79.05486	2.7
81.07066	3.3
91.05486	1.2
93.07061	2.9
95.08617	2.2
97.10229	1.0
105.07027	1.7
106.33943	0.9
107.08621	1.2
109.10162	1.7
119.08562	1.5
121.10175	1.4
123.08083	1.1
123.11813	0.9
129.30049	0.9
173.19292	0.9
200.03258	1.0
248.70255	0.9
275.20016	2.2
345.75684	0.9
414.18512	1.2
415.19168	5.1
416.20102	1.7
428.20355	1.2
429.20786	8.9
430.21640	3.0
431.22296	1.3
443.22348	3.9
444.23413	7.3
445.23901	3.6
458.24634	2.6
459.20920	1.7
459.26157	2.0
472.22528	3.6
473.23511	5.4
474.24506	1.4
485.23517	3.7
486.24518	1.5
487.25012	19.5
503.24652	1.9
513.22937	1.2
517.26068	1.9
518.22113	1.1
545.25446	14.8
546.26379	3.8
573.24487	1.8
587.46844	1.3
605.27631	100.0
606.27936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01868	1.4
55.05516	0.9
56.05031	0.7
56.96552	0.5
58.99575	1.3
59.64718	0.3
65.03935	0.8
67.05502	2.0
69.03416	0.7
69.07066	1.3
71.10728	0.5
71.11039	0.4
74.17899	0.4
76.02229	1.5
77.03936	0.4
78.03912	0.3
79.05499	5.5
81.03408	0.9
81.07067	2.3
84.04021	0.7
84.04506	9.9
84.08147	9.5
85.02908	1.7
85.06547	0.6
86.09708	0.5
86.78000	0.3
86.99071	0.5
91.05489	5.2
93.07041	1.4
95.04967	1.7
95.08601	1.1
97.02883	0.5
97.10137	0.4
103.05491	4.4
105.00101	1.1
105.07037	18.5
107.04962	25.1
107.08601	1.4
109.02841	0.5
109.06487	0.7
109.10163	0.6
115.05460	3.4
116.06220	0.5
116.98641	0.4
117.07015	1.7
118.04183	2.6
119.04938	1.5
119.08591	0.5
120.05735	0.9
121.06540	2.0
121.10133	0.7
122.02750	10.1
122.03606	0.5
122.07299	1.2
123.04405	0.4
126.63917	0.4
127.03938	0.5
128.06282	0.4
130.04126	0.6
130.05005	5.2
130.08641	1.5
131.04948	1.3
132.05714	0.9
133.06497	14.9
133.10110	0.5
134.07220	0.4
135.02667	0.8
135.04422	1.6
135.08067	4.1
136.07571	2.2
137.04317	0.7
137.05984	7.5
137.08359	0.4
137.09506	0.4
138.57263	0.4
142.03198	1.9
143.08543	0.7
145.06494	1.2
145.10158	0.4
146.02727	0.4
146.07260	1.2
147.04404	1.5
147.07991	0.6
147.11740	0.5
148.05164	0.9
149.05930	0.6
150.01396	0.7
150.06760	5.5
150.09238	0.5
151.03915	0.4
151.07532	1.7
161.05983	1.2
161.09637	2.0
162.06715	0.5
163.02144	1.3
163.07561	15.6
165.03711	1.1
165.09132	14.0
167.07053	1.9
175.07481	2.0
175.11247	0.7
177.05466	0.4
177.09091	0.5
178.06259	1.2
178.08655	0.6
179.07021	1.2
180.06581	0.5
181.08597	1.0
185.91510	0.4
188.03787	1.6
188.08363	1.3
188.10733	0.4
193.03377	2.1
193.08618	100.0
194.09364	6.9
195.04770	0.8
202.04976	0.5
202.12367	0.9
203.10687	12.8
205.10722	0.5
207.06401	0.4
210.11263	0.8
220.13490	0.4
225.05978	0.5
230.11737	0.7
234.04305	2.1
249.05394	0.9
251.06996	21.9
284.09482	0.6
314.10522	3.3
356.25864	0.5
357.17029	2.7
368.25977	0.5
394.65042	0.4
396.32642	1.1
398.34265	1.5
406.31128	0.7
424.32141	3.4
442.33163	3.9
443.14914	0.7
481.08966	0.4
482.39792	0.7
527.42151	1.8
545.43176	1.1
563.43927	1.6
571.41028	3.8
589.42242	8.9
607.35199	0.4
607.43329	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	607.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16865	0.6
53.03939	0.8
55.01878	1.5
56.96582	0.8
57.03441	0.9
58.99582	1.4
65.03919	0.8
67.05497	1.5
69.03430	1.0
69.07067	0.8
71.61060	0.8
76.02221	2.4
79.05492	7.4
81.03419	1.3
81.07049	2.1
84.04026	0.8
84.04504	10.6
85.02906	0.9
86.00709	0.6
86.99077	0.9
91.05495	5.4
93.07033	2.2
95.04939	1.6
95.08593	0.9
97.02881	0.6
102.05588	0.6
103.05460	5.0
105.00116	1.4
105.07034	20.6
107.04958	28.6
107.08568	2.0
109.06525	1.1
109.10123	0.9
115.05461	4.4
117.07005	2.2
118.04166	2.5
119.04942	2.3
119.08578	1.2
120.05733	1.1
121.06520	2.2
122.02737	11.8
122.03574	1.3
124.05201	0.8
129.06985	0.8
130.05013	5.0
131.04916	2.4
131.08546	0.9
132.05710	1.2
133.06493	13.9
133.10159	0.8
134.07292	0.9
135.04407	1.6
135.08084	3.9
137.05963	5.3
142.03220	1.9
145.07632	0.6
146.07272	1.5
147.04413	2.3
148.05215	1.1
150.01395	0.8
150.06801	4.8
151.07582	1.1
161.05995	0.9
161.09631	2.2
162.06834	0.7
163.07539	19.7
165.03719	1.7
165.09119	14.2
167.07057	2.0
175.07547	2.2
176.65462	0.7
177.05508	1.1
178.06305	1.4
179.07001	1.5
181.08617	1.7
188.03770	2.8
188.08380	1.3
193.03221	2.9
193.08614	100.0
194.09430	7.7
195.10080	0.8
203.10704	15.5
207.06471	0.9
225.05774	1.6
227.07622	1.0
234.04341	1.6
249.05447	0.9
251.06982	26.7
282.77655	0.7
304.88263	0.6
314.10571	3.9
357.17047	2.5
443.15384	0.6
607.21649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2364
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
56.05032	0.5
59.33834	0.4
60.21703	0.5
67.17880	0.5
69.03460	0.6
70.06581	0.9
70.95026	0.6
70.95344	0.8
73.53397	0.4
74.99163	0.4
75.33289	0.4
82.31580	0.4
84.08135	0.7
85.02930	0.6
97.96760	0.5
120.09836	0.5
120.97372	0.4
121.02897	1.6
127.03938	0.5
130.85487	0.4
139.24800	0.4
139.97076	0.4
141.75972	0.5
142.55342	0.4
147.04413	0.5
151.03918	0.6
177.05457	0.8
189.05226	19.6
190.05983	1.8
207.06639	0.6
287.97766	0.5
401.12677	0.5
429.15442	2.3
444.17584	1.9
445.18341	13.2
587.90338	0.5
607.23633	100.0
608.23926	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	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.01817	0.2
61.72737	0.2
67.05492	0.2
69.51137	0.3
69.51549	1.2
71.52515	0.2
95.08607	0.2
145.58311	0.2
204.06731	0.2
209.10828	0.4
233.10883	0.3
237.10104	0.3
352.14493	0.2
373.14813	0.4
374.15204	0.4
375.16055	1.0
386.16592	0.4
387.16238	0.7
388.16757	1.2
389.17694	3.1
390.18369	1.3
391.19226	1.3
401.13315	0.3
401.17847	0.8
402.14160	0.3
402.18558	0.9
403.15527	0.6
403.19550	4.3
404.20142	1.6
405.20786	2.9
415.14902	0.3
415.19763	0.5
416.15613	1.1
416.20978	0.4
417.16199	4.3
417.21222	2.0
418.17773	1.1
418.21881	0.9
419.22495	6.2
420.23328	1.1
429.16974	0.4
430.17892	0.9
430.22668	0.3
431.18347	8.1
432.19037	2.6
433.20023	3.3
443.19031	0.4
444.19391	0.3
445.20132	5.1
446.21045	8.1
447.21759	7.8
448.23087	0.5
458.20874	0.3
459.17654	1.0
459.22110	1.3
460.19101	0.9
461.19574	1.7
462.24734	0.5
463.25168	0.8
473.19815	1.3
473.24142	0.6
474.20450	5.4
475.21060	4.7
476.21808	0.7
477.22879	0.8
478.23544	1.0
487.21478	1.8
488.22263	0.6
490.24240	0.5
491.19855	2.8
501.23019	1.4
504.21603	0.3
505.22583	0.6
506.23227	0.6
519.24188	15.4
520.24512	0.4
529.22498	0.4
533.22211	0.3
547.23450	12.0
548.24127	0.5
551.26715	0.3
561.24805	0.5
579.26019	5.2
607.25543	100.0
608.25659	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	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05499	1.5
56.74106	0.7
60.22990	0.6
67.05508	3.7
69.07084	1.2
71.60525	1.2
73.22473	0.7
75.52949	0.6
77.39333	0.6
77.61919	0.6
79.05499	2.9
81.07051	4.2
91.05463	3.9
93.07052	2.8
93.63825	0.6
95.08608	2.9
97.06544	0.7
102.78973	0.6
105.07026	5.0
107.04961	0.7
107.08629	1.6
109.06527	1.2
109.10197	0.9
117.07053	1.5
119.08604	2.7
121.10190	0.7
131.08577	1.5
133.10143	2.8
135.11702	0.7
145.10161	1.1
147.11691	0.8
155.08601	0.7
157.10159	1.2
159.11644	1.6
171.11719	0.9
185.13254	0.7
192.64577	0.7
219.17473	1.7
275.20172	3.3
291.60779	0.7
293.13062	0.7
328.14404	0.8
374.15363	1.0
386.16776	0.7
387.16025	0.9
388.17148	1.4
389.17715	4.2
390.18127	1.2
391.19141	0.9
401.18045	0.8
402.18643	1.2
403.15213	0.8
403.19354	6.9
404.20059	1.8
405.20831	2.7
417.16037	4.2
417.20966	4.0
418.17410	1.8
418.22333	1.1
419.22488	9.0
420.23242	0.8
430.17715	1.6
431.18320	9.8
432.19373	3.9
433.20358	2.2
445.20090	7.2
446.20929	7.2
447.21780	10.9
459.18256	2.3
460.23566	1.0
461.19489	1.2
463.25159	1.6
474.20483	12.1
475.21069	14.1
477.23260	1.1
487.21420	3.0
488.22293	0.9
490.23651	1.9
491.20615	2.3
501.22977	1.4
505.22287	1.0
519.24084	12.6
547.23425	73.2
548.24048	2.0
561.25195	1.5
568.52667	0.8
579.26099	4.5
589.24066	1.1
607.25543	100.0
607.42712	4.3
608.25958	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	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05506	0.6
67.05510	0.9
69.07072	0.5
70.10500	1.0
79.05506	0.9
81.03413	0.7
81.07062	1.1
83.08626	0.4
91.05489	1.0
93.07069	0.6
94.72443	0.4
95.08595	0.8
97.06522	0.4
100.12895	0.4
105.07034	1.0
107.08563	0.6
121.10125	0.5
142.07686	0.3
151.43890	0.3
174.84251	0.4
239.53189	0.3
336.26181	0.4
340.84842	0.4
351.18066	0.4
375.16116	0.9
376.17026	0.6
388.16977	1.0
389.17596	2.6
390.18213	1.0
391.19131	1.1
401.17740	0.6
402.18613	1.3
403.15265	0.6
403.19391	4.0
404.20099	1.6
405.20932	3.6
407.22299	0.5
416.15936	0.8
416.20718	0.6
417.16357	4.3
417.21127	1.8
418.17429	1.0
418.22183	0.7
419.22446	6.8
420.23108	0.7
430.17670	0.9
431.18387	7.2
432.19226	2.5
433.20270	3.8
435.21671	0.6
444.19482	0.5
445.20129	4.6
446.21024	7.5
447.21750	7.4
448.22968	0.7
459.17380	0.8
459.22186	1.3
460.18854	1.0
461.19647	1.3
462.24570	0.5
473.18878	0.6
473.24097	0.7
474.20480	5.9
475.21011	3.9
477.23056	0.8
478.23627	1.0
487.21432	1.4
490.23691	0.6
491.20139	3.0
501.22998	1.4
504.21548	0.5
505.22092	1.0
519.24158	15.4
529.22565	0.5
547.23383	11.6
579.25952	5.6
607.25549	100.0
608.25916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2919
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
50.63787	0.2
71.04237	0.2
71.04561	0.3
83.61022	0.2
95.83431	0.2
139.03845	0.1
171.88301	0.2
176.49733	0.2
197.10843	0.2
209.10651	0.3
237.13852	0.2
286.13522	0.2
300.14819	0.2
322.13483	0.2
324.15024	0.2
328.91473	0.2
375.17072	0.2
387.16174	0.4
388.16959	0.4
389.17514	1.2
390.18338	0.2
401.17743	0.7
402.18427	1.0
403.19183	3.0
404.19940	1.0
405.20853	1.7
415.14975	0.4
415.19510	0.4
416.20517	0.8
417.16599	0.8
417.21332	3.7
418.21771	1.7
419.22351	3.4
421.23026	0.2
429.16476	0.3
429.21573	0.3
430.17874	1.0
431.18237	8.1
432.18625	2.0
433.24130	7.5
434.24741	1.2
443.18686	0.3
444.19498	0.7
445.19727	7.5
446.20758	4.2
447.21729	4.4
447.27554	0.2
449.23422	0.2
458.21243	0.5
459.21494	4.5
460.22592	11.3
461.23364	11.3
462.20020	0.3
473.23663	2.6
474.24216	1.1
476.22217	0.2
477.22873	0.4
487.25125	1.4
488.25635	0.4
489.22797	0.5
491.24698	0.6
492.25357	0.8
501.23172	0.2
504.25354	0.3
505.21674	2.4
506.26877	0.4
515.24658	0.7
517.22589	0.4
518.23077	0.3
519.24213	1.8
520.24213	0.2
532.24976	1.0
533.25385	0.5
547.27063	26.4
548.27429	0.6
563.24329	0.2
575.26245	0.9
577.24530	0.2
578.25317	0.6
579.29700	0.7
607.29150	100.0
608.29535	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	607.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36242	0.3
66.92108	0.4
70.64261	0.8
70.64616	0.7
80.92336	0.4
82.38737	0.3
100.05830	0.4
185.92957	0.3
192.11481	0.4
387.16110	0.5
388.16739	0.6
389.17816	1.6
390.18735	0.4
402.18576	1.4
403.19235	3.7
404.20032	1.3
405.20770	1.5
415.15009	0.5
416.20209	1.4
417.16345	0.7
417.21317	3.9
418.21805	1.9
419.22293	3.1
430.17615	1.0
431.18228	7.8
432.19421	1.4
432.24118	0.6
433.24020	8.2
434.25018	0.9
444.19153	0.7
445.19766	9.9
446.20914	4.3
447.21759	3.9
457.19806	0.4
459.21521	4.6
460.16391	0.7
460.22580	10.7
461.23337	11.7
473.23599	3.3
474.24097	1.4
477.22995	0.6
487.25330	1.8
488.25714	0.6
491.24695	0.8
492.25330	0.7
505.21677	2.4
515.24567	0.5
519.27057	1.8
532.24829	0.6
547.27075	40.7
548.27570	1.3
575.26489	1.0
579.29657	0.6
607.29156	100.0
608.29449	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	607.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07261	0.5
55.01860	0.5
55.05513	2.6
56.05039	3.4
57.07071	0.9
64.79320	0.3
65.03962	0.4
65.58781	0.5
67.05508	6.6
69.03439	0.7
69.07082	3.7
69.76608	1.7
71.04993	0.5
71.13844	0.4
73.02897	0.4
74.02416	0.4
74.06052	0.3
79.05499	2.1
81.03416	1.0
81.07058	6.5
83.04973	0.5
83.08622	0.7
84.08144	72.6
85.02890	0.6
85.06543	3.1
86.09708	1.6
91.05467	2.4
93.07068	2.3
95.04977	0.8
95.08611	4.5
97.06532	0.4
99.04489	0.4
99.57059	0.6
104.12946	0.5
105.07056	1.2
107.04972	0.6
107.08592	1.8
108.08122	1.2
109.10177	2.4
117.07002	0.5
119.04945	0.4
119.08555	0.7
120.08154	0.5
121.10154	1.6
123.11690	1.4
124.07565	0.5
127.03953	0.5
130.07669	0.6
130.08641	11.4
131.08565	0.6
133.10155	1.2
134.06038	2.2
135.07996	0.4
135.11729	1.0
136.07587	19.5
137.08377	1.8
137.13190	0.4
138.09169	1.9
145.02876	0.7
145.10167	0.6
147.04477	0.5
147.11630	0.4
148.07570	1.0
150.09161	3.5
151.09949	0.8
152.07098	3.6
159.11697	0.6
160.07637	1.1
161.08388	1.0
161.09622	0.4
162.09189	2.2
163.09943	0.5
164.10719	0.5
166.08682	0.4
167.07108	0.5
174.09212	1.2
175.03914	0.7
175.09865	0.5
176.06935	0.5
176.10733	4.3
177.05457	0.9
177.11542	0.9
178.08632	3.2
178.12323	1.3
180.06573	4.4
180.78445	0.4
186.09183	0.4
187.06573	0.4
188.10730	2.6
189.11501	0.7
190.08638	1.4
190.12239	2.2
192.13855	1.1
200.10776	0.8
201.11563	0.5
202.08537	0.5
202.12297	5.1
204.10263	2.8
204.13748	2.4
205.10980	1.2
206.11792	1.5
207.06573	0.9
208.13423	0.6
208.33904	0.4
212.10742	0.5
213.23126	0.4
214.12318	1.1
216.13855	1.0
218.11790	1.8
218.15428	0.8
219.15009	0.9
220.13327	3.2
226.12303	1.0
230.11766	3.1
230.15353	0.8
232.13345	0.9
236.12912	0.5
240.13950	0.6
242.15454	0.6
244.13373	0.7
244.17101	0.7
246.14700	0.4
248.12914	0.8
256.17072	0.5
262.21646	0.5
265.15445	2.8
266.15524	0.7
288.19754	0.7
296.20233	0.5
306.86615	0.4
314.25046	0.4
328.26373	0.5
330.27924	0.5
342.28122	0.6
356.25943	1.5
368.25836	1.0
374.27026	0.7
386.26825	0.8
396.32776	4.7
398.34219	9.9
399.34207	0.5
406.31058	3.9
416.35587	2.0
424.32092	20.5
434.36349	0.5
442.33197	17.5
442.39288	0.9
460.34225	4.8
478.35330	6.3
482.39825	5.4
499.42538	0.4
500.41016	4.5
518.42108	0.6
526.38934	0.9
527.41986	4.2
545.43213	5.8
563.44232	27.7
564.44733	0.7
571.41077	0.6
589.42322	4.9
607.43188	100.0
608.43561	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	609.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91867	1.3
62.66699	1.3
64.39077	1.4
69.26888	1.5
69.31698	9.9
69.32118	3.1
82.33878	1.3
98.21492	3.2
99.75099	1.5
106.79311	1.4
160.76222	1.5
177.00891	1.7
216.99062	2.0
234.99980	6.2
240.98987	5.3
259.00037	25.0
260.00186	3.4
260.99918	1.9
261.03024	2.7
263.02774	1.9
264.99060	3.6
266.42487	1.5
277.01059	17.6
278.01181	1.4
282.99997	100.0
284.00049	9.0
284.99789	5.7
301.01065	93.8
301.03619	2.4
302.01129	6.7
303.00998	4.9
316.95636	7.8
319.02124	3.1
356.93365	2.0
358.96677	12.2
359.00522	1.6
398.94757	5.9
400.97272	4.1
401.01385	5.6
402.01163	1.5
407.00092	4.7
416.95819	2.4
425.01199	30.4
426.01215	2.6
427.00952	2.0
440.95511	3.1
443.02444	57.4
444.02112	6.3
445.02399	3.4
458.97064	3.6
482.97101	1.9
499.98434	2.1
500.98120	14.2
524.98785	4.9
542.99530	8.7
549.01343	38.3
550.01569	3.0
562.83282	1.7
567.02515	48.7
568.02081	3.3
585.00159	3.8
590.03748	3.0
609.00348	32.0
610.00372	2.8
627.01410	11.6
630.36658	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.05505	0.2
58.06590	0.2
58.54955	0.1
61.89562	0.2
69.03428	0.2
69.24629	0.3
69.25034	1.3
71.04980	0.4
72.04501	0.2
73.03307	0.1
81.07071	0.2
83.04964	0.1
85.02920	1.3
86.06046	0.2
91.05501	0.2
97.02884	0.2
109.02874	0.2
112.82465	0.2
127.03912	0.4
129.05472	0.3
151.04071	0.2
152.45703	0.1
153.01857	0.5
167.06923	0.2
177.05528	0.2
181.05031	0.3
229.04909	0.4
257.04498	0.3
258.05258	15.0
259.05750	0.3
273.07605	0.1
277.06705	0.2
286.04730	33.5
287.04971	0.4
301.07077	100.0
302.07465	1.3
324.25418	0.2
329.79636	0.2
332.40152	0.1
336.12463	0.3
348.12369	0.2
463.12515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1819
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.88059	0.1
57.03432	0.2
62.36080	0.1
69.59957	0.1
71.04977	0.4
75.84410	0.1
83.05002	0.1
83.08636	0.2
85.02905	0.8
91.05500	0.2
97.02934	0.2
98.21447	0.2
112.58152	0.1
121.90508	0.1
136.01624	0.1
140.04634	0.1
140.84993	0.1
147.04410	0.1
153.01781	0.6
157.10126	0.1
167.07056	0.2
178.02629	0.5
181.04987	1.1
242.05728	1.4
249.11539	0.1
256.70859	0.1
258.05234	1.8
269.04376	0.2
270.05231	7.8
271.05927	0.2
273.03940	1.1
285.03769	0.1
286.04739	1.4
287.05524	3.2
299.05490	0.7
301.03442	1.7
302.04172	2.4
313.03351	0.9
315.05005	30.2
316.05759	3.7
331.08130	100.0
332.08621	1.2
343.08249	0.1
463.06674	0.2
463.12784	0.3
473.97510	0.1
575.93927	0.2
609.17987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03945	0.8
53.44120	0.3
55.01869	0.9
55.02123	0.3
55.05520	2.8
57.03440	0.6
57.07050	0.4
59.47371	0.3
65.03951	0.7
67.05193	0.3
67.05508	7.7
69.03432	0.2
69.07073	2.9
71.04996	0.3
79.05495	6.9
81.07063	9.0
83.04983	0.6
83.08636	1.6
84.93602	0.3
85.06562	0.4
91.05485	6.6
93.07047	8.2
95.04975	1.1
95.08613	6.3
97.06528	0.6
97.10215	0.7
105.07040	6.1
107.04967	1.3
107.08598	5.3
109.06528	0.7
109.10177	2.1
111.08113	0.3
115.05431	0.4
117.07016	3.5
119.08581	3.9
121.06512	0.3
121.10127	3.4
123.08099	0.5
123.11715	0.7
128.06319	0.6
129.07043	1.2
130.07803	0.4
131.08571	4.4
133.10143	3.2
135.08058	0.5
135.11676	1.8
141.06972	0.3
142.07826	0.3
143.08560	1.9
144.09390	0.3
145.10133	4.8
147.11674	2.6
149.09630	1.0
149.13268	0.7
155.08617	0.9
157.10132	1.7
159.11707	2.8
161.13252	1.5
163.11201	1.0
166.07805	0.3
169.10187	1.2
171.11732	1.8
173.13252	1.6
175.11169	0.3
175.14909	0.5
177.12770	0.4
179.14352	0.4
181.10208	0.4
183.11742	1.3
185.13321	1.1
187.14876	0.5
195.11809	0.3
197.13281	1.2
199.14864	0.7
203.18103	0.2
204.49213	0.3
209.10718	0.4
209.13263	0.4
211.14821	0.8
219.17500	0.8
223.12276	0.7
224.13213	0.5
229.19583	0.5
239.15669	0.5
239.18062	1.2
247.20500	0.5
251.15556	0.5
257.18994	2.6
261.22366	0.5
275.20074	5.6
291.82477	0.3
293.21115	0.4
303.14893	0.3
324.15079	0.4
325.16064	0.3
331.22684	0.8
335.25800	1.5
374.16833	0.3
375.16464	0.8
376.17563	0.6
377.17813	1.2
378.18652	0.6
389.18723	1.0
390.18881	1.1
391.19220	2.9
392.20016	1.5
393.20734	0.7
399.16141	0.5
400.17151	0.6
401.17773	0.9
401.88913	0.3
402.18790	0.4
403.19431	1.1
404.15829	0.3
404.20547	1.1
405.16266	0.5
405.21191	3.6
406.21655	2.2
407.22253	3.8
413.17691	0.7
414.18533	0.6
415.19400	2.7
416.20261	0.5
417.21173	0.7
418.22116	0.5
419.18585	1.5
419.23636	1.4
420.23495	0.8
421.24069	4.2
422.24680	1.0
425.17783	0.3
427.19345	1.0
428.20175	0.9
429.21017	2.6
430.21997	1.8
431.18265	0.6
432.19797	1.0
433.20529	2.1
434.20892	0.6
435.21436	1.4
441.20972	0.5
442.21561	1.2
443.22653	0.9
444.23727	2.0
445.20425	1.4
446.21426	0.6
447.18167	2.2
448.18875	0.5
449.23489	0.9
451.21167	0.5
452.21820	0.5
456.19611	0.5
457.24628	2.7
458.25226	0.5
459.21906	2.4
460.23483	2.0
461.19244	6.0
462.20499	3.1
463.21051	2.4
465.22794	0.6
470.21097	0.8
471.17722	0.7
472.22980	1.8
473.19391	0.6
474.20761	1.2
475.20963	7.9
476.21793	7.6
477.22525	5.5
478.23608	0.8
479.24670	0.7
485.23654	8.7
486.20209	3.7
487.20517	0.5
487.25327	1.1
488.22171	1.0
489.12225	0.3
489.23038	5.3
490.19775	0.3
490.23557	0.3
493.21429	1.4
494.26901	1.1
497.23343	0.5
499.21375	2.5
500.22144	1.8
502.24139	0.6
503.24625	6.4
504.24945	1.2
507.23813	0.9
513.23016	1.6
515.24390	8.9
517.21704	1.3
517.40143	0.6
518.23346	0.4
521.26050	3.6
526.26624	0.6
531.23932	17.7
532.24597	0.7
534.22577	0.4
535.23230	1.2
535.41626	0.4
541.22308	0.6
543.79382	0.3
548.24341	0.5
549.24982	4.6
550.25867	3.4
559.23450	7.6
577.24646	0.9
591.26074	31.9
592.26379	0.8
609.27106	100.0
609.43872	13.3
610.27570	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01857	0.4
55.05511	1.5
67.05508	3.4
69.07059	1.3
74.56048	0.3
79.05499	2.6
80.44288	0.3
81.07057	2.5
83.08603	0.8
91.05482	2.1
93.07052	2.9
95.04987	0.9
95.08617	1.9
97.06535	0.8
105.07040	2.6
107.08603	1.1
109.10171	1.2
117.07030	1.4
119.08587	1.6
121.10172	1.3
129.06993	0.5
131.08582	1.3
133.10158	1.4
135.11684	0.8
143.08578	0.9
145.10133	1.6
147.11714	0.7
155.08559	0.8
156.50705	0.4
157.10156	0.9
159.11742	0.8
161.13246	0.4
169.10167	1.0
171.11742	0.7
173.13300	0.5
180.13776	0.3
181.10229	0.7
183.11746	1.0
183.50433	0.3
185.13383	0.5
197.13303	0.5
211.12280	0.4
223.12369	0.8
224.13103	0.4
225.14084	0.4
237.14034	0.5
239.15532	0.4
251.15672	0.4
257.19150	0.7
275.20099	1.4
335.94626	0.3
374.16431	0.4
376.17380	0.5
377.17609	0.8
388.17673	0.4
389.18033	0.6
390.18710	1.5
391.19440	2.2
392.20160	1.4
393.21149	0.8
400.16928	0.7
401.17786	0.9
402.18961	0.4
403.19696	1.1
404.20627	1.0
405.20923	3.6
406.21414	2.1
407.22330	3.5
413.17749	0.4
414.18558	0.9
415.19333	1.7
416.20102	0.7
417.21423	0.6
418.21878	0.5
419.18170	0.9
419.22879	0.7
420.23022	1.0
421.23926	3.8
422.24695	0.5
427.19327	0.8
429.21017	2.2
430.22018	1.2
431.18274	0.7
431.23175	0.6
432.19550	0.9
433.20148	1.6
433.24796	0.9
435.21640	0.6
441.21332	0.5
443.22906	0.5
444.23511	0.8
445.20163	1.5
446.21243	0.7
447.17255	2.1
448.18600	0.6
449.23660	1.0
452.22150	0.7
457.24289	2.0
459.21689	1.9
460.23505	1.6
461.19220	5.1
462.20483	2.3
463.20740	1.6
470.20993	0.5
472.22849	0.8
473.19257	0.7
474.20471	1.4
475.21091	9.4
476.21857	6.2
477.22455	4.7
478.23724	1.0
479.24490	0.5
485.23654	6.5
486.20313	3.2
487.20227	0.5
487.25504	0.7
488.22104	1.3
489.22879	5.6
493.22397	1.1
494.27075	0.9
497.23795	0.6
499.21567	4.3
500.22311	1.3
502.23438	0.4
503.24631	7.8
504.21945	1.0
505.22256	0.7
507.24417	0.9
513.22809	0.9
515.24548	6.2
517.22052	1.9
518.23438	0.8
521.26068	3.7
531.23944	10.0
535.23419	1.1
541.22687	0.9
548.24561	0.5
549.25012	2.3
550.25897	4.5
559.23486	5.2
563.26666	1.4
577.24524	2.1
591.26099	14.8
591.44611	0.5
609.27112	100.0
609.44757	5.0
610.27191	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
53.03943	0.7
54.11332	0.3
55.05519	1.1
67.05508	3.5
69.07069	1.5
71.60480	0.3
71.60899	0.4
72.58466	0.3
73.39096	0.3
79.05492	2.9
81.07055	3.0
83.08619	0.7
85.06574	0.4
91.05491	2.4
93.07053	2.7
95.05003	0.6
95.08604	2.6
97.06569	0.5
97.10154	0.3
99.56238	0.3
105.07035	2.4
107.08589	1.8
109.06509	0.5
109.10175	0.8
117.07020	1.0
119.08606	1.1
121.10142	1.1
123.08062	0.3
129.06992	0.7
131.08600	1.6
133.10170	1.3
135.11713	0.5
143.08585	1.1
145.10136	1.8
147.11641	0.8
149.09686	0.5
149.13292	0.5
155.08614	0.6
157.10129	0.6
159.11757	0.8
161.13219	0.5
169.10185	0.8
171.11687	0.9
173.13274	0.8
183.11739	0.4
183.70016	0.4
185.13370	0.6
197.13432	0.6
211.14844	0.5
223.12358	0.5
239.17979	0.3
257.18967	0.6
275.20099	2.5
315.29410	0.3
371.24933	0.4
377.17474	0.6
387.15866	0.4
388.16464	0.4
389.17807	0.6
390.18588	0.7
391.19266	1.2
393.20636	0.5
401.17725	1.1
402.18475	0.9
403.19333	1.8
404.20328	1.0
405.21036	1.9
406.21783	0.5
407.22281	1.6
415.19156	0.8
416.20120	0.9
417.16843	1.2
417.21030	1.5
418.17648	0.7
419.17438	0.5
419.22876	3.3
420.23160	1.3
429.21045	0.9
430.17868	1.4
430.22702	0.4
431.18015	3.1
432.18973	1.6
433.20306	7.2
435.21973	0.5
443.18753	1.5
444.19370	2.1
445.19760	3.2
446.21158	3.5
447.21951	4.1
448.22357	1.3
449.23602	0.6
457.20349	0.5
458.21027	5.2
459.21878	4.8
460.22949	3.5
461.19250	0.4
462.20233	0.5
463.20895	2.5
465.22375	0.4
473.23425	1.3
475.20673	1.1
475.31558	0.3
476.22211	0.8
477.23083	1.3
478.23590	0.6
479.24249	0.5
489.18991	0.5
503.20624	0.5
505.22427	0.6
516.21851	0.5
517.22552	1.0
517.40234	0.4
518.23163	2.8
519.23962	10.3
521.24927	2.0
531.24023	1.4
532.24823	1.1
549.24915	3.3
563.26398	0.5
576.24249	0.5
591.26105	11.4
591.44366	0.5
592.26416	0.7
609.27087	100.0
609.44830	6.2
610.27649	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03945	0.8
55.01878	0.6
55.05510	2.5
57.03430	0.9
67.05501	6.3
69.07073	2.4
70.99308	0.8
79.05502	6.9
81.07059	5.9
83.04986	0.6
83.08623	1.1
91.05481	4.3
93.07052	5.6
95.04961	0.9
95.08105	0.5
95.08627	4.0
97.06549	1.1
97.10173	0.6
105.07027	5.4
107.04948	0.7
107.08608	3.6
109.06522	0.7
109.10170	1.3
111.08095	0.9
117.07040	1.9
119.08595	3.0
121.10146	2.2
123.08115	0.7
129.07018	0.9
131.08582	2.8
133.10135	3.0
135.11729	1.5
141.07001	0.4
143.08589	1.5
145.10132	3.4
147.11687	2.0
149.09631	1.0
149.13303	0.6
155.08597	1.3
157.10164	1.3
159.11670	2.5
161.13242	0.9
163.11201	1.0
169.10201	0.9
171.11734	1.0
173.13327	1.5
175.14861	0.4
179.14374	0.5
181.10088	0.8
181.90784	0.4
183.11745	1.7
187.14821	0.6
195.11740	0.5
197.13324	0.8
199.14935	0.4
201.16391	0.3
209.13263	0.7
211.14867	0.6
219.17473	0.7
237.13882	0.4
239.18050	1.0
257.19016	1.9
261.22394	0.5
275.20020	4.6
331.22784	0.9
335.26028	0.8
391.19147	0.6
403.19681	0.5
404.20447	0.5
405.20941	1.1
415.19141	1.3
416.20422	0.6
417.20969	1.0
418.17410	0.4
419.18033	0.7
419.22562	1.2
429.20914	3.2
430.21686	1.4
431.18237	2.1
433.24707	1.8
434.21103	0.6
435.21585	0.6
443.22537	1.3
444.23828	1.7
445.19659	0.6
445.24600	0.6
447.17200	0.8
447.21973	1.8
449.23700	1.0
457.20041	0.5
459.21594	4.2
460.22705	2.3
461.19324	2.0
461.23792	2.7
462.19669	1.8
463.21375	0.6
471.21783	0.6
472.22849	2.3
473.23532	0.7
475.21436	1.3
476.22229	3.3
477.22748	1.6
485.23569	1.4
487.25168	4.2
489.22958	1.9
490.23483	0.8
492.25876	0.7
503.24957	2.6
505.18610	0.5
505.25983	0.5
507.23926	0.6
517.21576	0.5
518.23340	0.7
519.23999	2.0
521.21643	3.8
531.23889	20.9
532.24725	1.4
549.24976	10.8
550.25171	0.5
563.26703	1.1
591.26141	2.8
591.43817	1.1
608.43384	0.7
609.27130	100.0
609.43701	11.4
610.27515	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03944	2.0
55.01873	1.8
55.05254	0.7
55.05512	13.6
57.03442	3.4
57.03676	0.6
57.07082	2.0
59.05001	0.7
65.03939	1.5
67.05505	25.4
69.03421	0.7
69.06708	0.7
69.07071	12.3
71.04995	1.2
71.08637	0.7
72.05967	0.4
76.28825	0.4
79.05495	17.0
79.47817	0.5
81.07059	24.1
83.04975	1.1
83.08623	6.9
85.06538	1.7
91.05053	0.3
91.05480	16.6
93.07047	16.5
95.04977	1.7
95.08607	20.7
97.06539	2.7
97.10165	4.5
99.08078	0.5
103.05478	0.8
104.67521	0.4
105.04482	0.4
105.07036	15.0
105.07758	0.7
107.08603	12.5
109.06516	1.0
109.10158	9.5
109.43413	0.4
111.08050	1.0
111.11705	0.6
113.09640	0.5
115.05472	1.2
117.07024	9.8
119.08584	14.3
119.69330	0.4
121.10149	8.7
123.08086	0.8
123.11706	3.0
125.09655	1.3
128.06221	2.5
129.07007	11.2
130.07829	1.1
131.08572	14.6
133.10132	10.1
135.08080	0.4
135.11714	4.4
137.09637	0.5
137.13258	0.9
139.11183	0.7
141.05916	0.7
141.06981	5.6
142.07811	2.4
143.08562	15.9
144.09360	1.0
145.06601	0.4
145.10129	15.7
147.08003	0.5
147.11696	6.2
149.09695	0.6
149.13269	2.4
153.07024	1.5
154.07793	1.6
155.08554	12.5
156.09395	2.0
157.10135	13.9
158.10855	0.5
159.08052	0.7
159.11696	10.9
161.13239	3.3
163.11180	0.5
163.14774	0.8
165.07030	1.2
166.07896	1.1
167.08571	6.1
168.09369	1.4
169.10130	15.1
170.10822	0.8
171.10239	0.8
171.11697	13.6
173.13268	5.9
175.14862	2.1
179.08582	2.8
180.09326	1.3
181.10136	8.4
182.10928	1.5
183.11687	15.0
184.12468	1.0
185.11696	0.7
185.13251	9.3
187.14841	4.0
189.16380	1.1
191.08508	0.5
192.09363	0.8
193.10149	3.4
194.10924	1.1
195.11697	9.5
196.12494	0.9
197.09656	0.6
197.11447	0.6
197.13251	11.8
197.14967	0.8
199.13191	0.9
199.14842	6.5
201.16348	2.1
203.18001	0.9
205.10246	1.5
207.11694	3.8
208.12384	0.6
209.13251	8.4
211.14822	7.3
212.15596	0.5
213.16425	4.6
215.17992	1.2
219.11665	0.9
219.17413	0.6
220.12613	0.5
221.13280	3.1
222.14012	0.6
223.14789	6.4
225.16411	5.1
227.14363	0.6
227.18086	2.9
229.19633	0.7
233.13280	1.1
235.14824	3.3
237.16399	3.7
239.17993	3.3
241.19606	1.6
245.19075	0.5
247.14897	1.0
249.16383	2.3
251.17921	2.9
253.19571	1.9
255.21313	0.7
257.19095	1.2
261.16400	0.8
263.18054	1.6
265.19461	2.3
267.21054	1.3
269.22607	0.5
270.32254	0.5
275.20151	1.5
277.19601	1.1
279.21133	1.4
281.18823	0.8
283.20480	0.7
285.18576	0.5
293.19244	0.7
293.22681	1.0
295.20496	1.0
295.23767	0.5
297.22021	0.7
299.20438	0.7
299.23795	0.5
301.21548	0.5
303.23441	0.5
307.20541	0.7
309.22159	1.3
311.20181	1.0
311.23621	0.9
313.21881	0.6
315.23438	0.5
319.20648	0.7
321.22229	1.2
323.23572	0.8
325.21747	0.7
325.25409	1.2
335.23813	1.8
337.25385	1.4
339.23114	0.7
339.26743	1.0
341.24796	0.8
347.23181	0.5
349.25418	2.1
351.26959	1.9
353.24762	0.9
361.25162	0.6
363.26868	0.9
365.28510	1.4
367.26370	0.9
369.27798	1.1
375.26889	0.6
377.28381	1.2
379.25922	0.7
379.30151	0.9
391.30081	1.4
393.31802	0.9
394.39267	0.5
403.29788	0.7
405.31946	0.8
409.31436	0.6
419.22296	0.5
421.30927	1.0
423.32782	0.6
433.30814	0.8
435.32983	0.5
443.33350	0.5
447.32510	1.4
449.34241	1.0
461.33963	0.7
467.35287	0.6
473.32431	0.5
485.34091	0.5
489.34784	0.5
499.39844	2.1
503.36487	0.5
515.38086	0.6
517.40448	13.0
521.24207	0.7
521.36444	0.7
527.37427	0.9
535.41711	6.8
539.37579	1.7
540.38501	0.9
549.24664	0.5
553.42273	0.9
555.41968	1.0
565.42694	0.5
567.40430	0.6
573.42950	1.6
591.44025	13.3
609.26855	8.7
609.45148	100.0
610.45642	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03947	2.5
55.01881	1.8
55.05517	14.9
57.03442	4.9
57.07071	2.3
59.05004	1.6
65.03943	1.8
67.05157	1.5
67.05511	26.0
69.07076	12.7
71.21719	1.9
73.21803	0.8
79.05499	20.1
81.06570	1.5
81.07056	29.4
83.04968	1.5
83.08613	5.1
85.06572	1.1
91.05482	18.8
93.07046	20.6
95.04993	1.7
95.08616	23.7
97.06540	2.4
97.10175	3.0
100.55149	0.8
103.05467	0.8
103.87772	0.7
105.07040	16.8
107.04987	1.4
107.08595	13.1
109.06527	1.2
109.10155	9.3
111.08142	1.3
115.05458	2.0
116.81599	0.8
117.07040	10.0
119.08587	16.7
121.10168	7.8
123.11731	2.5
125.09679	1.4
128.06169	1.3
129.07019	10.2
131.08574	16.7
133.10144	12.1
135.11674	5.4
137.13231	1.5
141.07021	5.7
142.07797	1.8
143.08559	12.7
145.10127	13.8
147.11693	7.9
149.13268	2.5
150.15717	0.7
153.06972	0.9
155.08585	12.1
157.10129	11.7
159.11678	10.2
161.13275	4.4
163.11214	1.2
163.14868	1.1
167.08595	5.4
168.09340	1.3
169.10138	11.5
171.11699	9.5
173.13274	6.1
175.14845	2.3
179.08600	2.0
179.14294	1.5
181.10170	6.8
182.11060	1.1
183.11716	11.2
185.13225	7.1
187.14746	4.4
189.16434	1.4
193.10210	2.9
195.11736	8.4
196.12360	1.0
197.13258	7.8
199.14850	4.7
201.16476	1.5
203.17944	1.3
207.11710	2.0
209.13280	6.3
211.14827	5.9
213.16452	3.0
215.17950	1.3
221.13333	1.6
223.14848	5.0
225.16444	2.7
227.18010	2.6
235.14847	2.7
237.16495	3.6
239.17978	4.3
241.19820	1.3
251.17989	1.5
253.19627	2.8
257.19098	2.0
263.17947	1.3
265.19632	1.6
272.83249	0.9
275.20163	4.3
297.22278	1.6
305.19205	0.9
305.22491	1.2
309.22449	1.2
337.25262	1.5
349.25397	1.4
351.26654	1.8
365.28452	1.2
369.27805	1.3
391.30164	1.0
409.31076	1.1
425.67859	0.9
447.32819	1.7
499.39734	1.4
517.40479	8.3
535.41626	5.2
539.37415	2.5
540.37842	1.0
591.44141	9.1
609.45178	100.0
610.45764	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
52.16622	0.8
53.03950	7.2
55.01876	3.9
55.05516	18.7
57.03441	7.9
57.07038	2.3
65.03951	4.0
67.05508	60.5
67.19958	0.7
69.03410	1.8
69.07072	23.7
69.38667	5.8
71.04950	2.3
73.06551	0.7
77.03908	1.1
79.05499	61.9
81.03429	4.4
81.07062	68.7
83.04985	5.2
83.08628	7.7
85.06499	3.2
85.94576	0.7
91.05486	66.3
93.07050	65.6
93.07906	1.3
95.01352	3.9
95.04455	0.7
95.04971	9.6
95.08613	42.2
97.06544	9.6
97.10172	4.4
99.04404	3.1
99.08051	2.1
103.05409	2.8
105.04492	2.1
105.07037	57.2
107.04958	10.8
107.08599	28.6
109.06513	9.7
109.09468	0.9
109.10163	11.8
111.08115	4.3
113.09657	1.2
115.05423	2.4
116.06150	0.8
117.07024	19.0
119.08587	37.1
121.06491	2.9
121.09315	1.4
121.10152	22.6
123.04404	1.0
123.08080	5.7
123.11720	3.6
125.09600	2.1
129.07010	4.9
130.07713	1.5
131.08577	30.2
133.10135	33.5
135.08052	4.9
135.11694	12.8
137.09578	3.3
139.07590	0.8
139.11150	0.8
141.06949	1.3
142.07765	1.3
143.08594	5.0
144.09370	1.0
145.06583	0.9
145.09023	1.3
145.10126	20.2
147.08115	1.1
147.11687	13.6
149.09639	5.2
149.13229	5.5
151.11128	1.2
153.12697	2.4
155.08554	0.9
157.10092	3.3
159.08141	0.9
159.11707	13.1
161.13263	6.1
163.11142	2.8
163.14848	1.3
165.09131	1.3
169.10077	2.4
171.11743	2.5
173.13254	7.6
175.14832	2.5
177.12718	2.4
179.14334	9.6
183.11707	2.6
185.13268	4.8
187.11253	1.3
187.14772	1.2
191.14276	1.4
197.13316	2.1
201.16452	4.8
203.14287	2.9
205.12170	1.1
209.15317	1.8
215.18059	1.2
219.17453	100.0
220.17694	1.3
221.15132	0.9
229.19547	1.8
239.17949	2.2
247.20546	1.7
257.18991	8.3
261.22260	1.2
275.20084	60.5
280.03415	0.8
293.21201	5.2
331.22778	1.0
335.25821	1.9
349.23676	2.3
349.43573	0.8
505.34906	1.1
563.13550	0.9
609.45300	54.6
610.45819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4519
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03940	2.7
55.01865	1.4
55.05513	14.8
57.03441	2.6
57.07069	1.8
57.51557	0.7
59.43600	0.7
65.03943	1.3
67.05157	1.6
67.05509	24.9
69.07075	12.6
71.04986	2.0
79.05495	17.0
81.07062	22.7
83.04973	0.8
83.08625	6.7
85.06510	0.9
91.05479	13.7
93.07054	17.2
95.04988	1.9
95.08609	22.2
95.52497	0.7
97.06546	1.9
97.10201	3.1
99.08103	1.1
103.05476	0.9
105.07038	15.4
107.08596	10.6
109.10161	8.7
110.77449	0.8
111.08104	1.1
115.05495	1.7
117.07029	8.1
119.08578	13.4
121.10175	7.7
122.10513	0.8
123.08081	1.8
123.11719	2.3
125.09654	2.2
128.06268	2.7
129.07022	10.1
130.07768	0.8
131.08571	13.9
133.10138	9.4
135.08070	0.9
135.11705	5.5
137.13341	0.8
137.32201	0.7
141.07004	4.9
142.07823	2.5
143.08563	13.4
145.10138	14.1
147.08174	0.8
147.11699	7.1
149.09705	0.8
149.13287	2.8
153.07080	2.1
154.07838	2.3
155.08571	13.0
156.09334	2.2
157.10141	15.8
159.11713	9.6
161.13295	2.9
163.08784	0.7
165.07022	1.4
167.08569	6.0
168.09383	1.6
169.10143	15.9
170.10814	1.1
171.11682	13.1
173.13275	5.6
175.14862	1.8
179.08574	3.3
181.10100	9.9
182.10916	1.2
183.11713	14.4
185.11758	1.2
185.13290	9.5
187.14792	4.0
189.16479	1.4
193.10159	4.4
194.10901	1.3
195.11717	11.2
196.12561	1.0
197.13280	11.7
199.14816	5.1
201.16434	2.3
205.10236	1.1
207.11656	4.1
209.13275	9.0
211.14824	9.5
213.16486	3.6
215.17941	1.4
220.86424	0.7
221.13309	2.5
223.14816	6.0
225.13150	0.9
225.16423	4.9
227.18015	3.3
229.19543	0.8
233.13292	1.4
235.14844	2.4
237.16522	4.0
237.18546	0.8
239.18109	3.4
241.19766	1.5
247.14841	1.1
249.16309	1.4
251.18047	2.0
253.19661	1.6
255.21367	1.0
257.19073	1.6
261.16486	0.8
263.17923	1.2
265.19623	2.0
267.21014	1.4
275.20190	0.9
279.21140	1.0
286.61169	0.9
291.21106	0.8
295.24161	1.0
297.22247	1.0
299.19907	0.8
309.22107	1.2
321.22247	0.8
323.23901	1.6
325.25250	0.9
337.25430	2.0
339.27060	0.9
349.25381	1.3
351.26990	2.2
363.26913	1.4
365.28665	1.0
369.27844	0.9
377.28604	1.6
379.30023	1.4
381.28247	1.1
391.29871	1.2
407.29153	1.0
425.30701	1.1
433.31073	1.1
435.32428	1.0
447.32397	1.4
449.34097	1.6
473.33167	1.0
499.39520	1.6
517.40472	15.7
521.35889	1.1
535.41724	6.9
539.37738	1.3
549.25024	1.3
553.42609	1.4
555.42133	1.2
565.42926	1.1
573.42554	1.7
591.35352	1.3
591.44165	16.7
609.27917	2.3
609.45172	100.0
610.45514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26879	1.0
53.03942	2.7
55.01871	2.3
55.05510	3.9
56.05026	2.6
57.03433	2.7
58.06605	33.4
59.57092	0.9
61.02912	1.6
67.05507	9.0
69.03105	1.4
69.03429	11.8
69.07079	6.1
70.06588	6.1
70.92480	2.3
71.05006	2.1
72.04139	2.1
72.04521	34.9
73.02907	1.5
74.06085	19.5
79.05488	4.1
81.03415	14.5
81.07054	14.3
82.06554	1.1
83.08620	3.3
84.04510	1.0
84.08174	1.2
85.02409	2.0
85.02907	24.1
86.06071	64.4
86.09654	1.0
87.00836	7.9
87.04493	1.1
88.07627	2.0
91.05501	2.9
93.07060	4.7
94.06585	1.6
95.04989	1.2
95.08620	9.8
96.04468	2.0
96.08087	1.3
97.02908	8.6
97.06524	1.2
97.10183	1.9
98.06063	3.3
99.04459	4.7
105.01903	4.7
105.02474	1.0
105.07016	1.3
107.08595	3.2
108.08125	1.0
109.02890	11.7
109.10159	4.1
110.06065	2.7
112.07601	1.7
119.08578	1.5
121.10147	4.9
122.09681	1.8
123.10810	0.9
123.11713	3.6
124.07622	2.0
127.03922	15.0
129.01859	2.0
134.09665	1.0
135.11716	2.7
138.09059	1.2
145.02824	1.1
145.04951	5.1
145.70486	1.0
149.13225	1.0
153.01744	1.1
159.02898	4.1
175.03957	1.0
219.21129	2.0
231.04973	2.0
237.22102	1.9
255.23135	4.1
258.05261	12.7
259.05566	14.4
262.25198	1.5
272.23593	1.9
286.01486	1.3
286.04727	29.1
287.05069	35.4
290.24799	13.8
301.07077	79.0
302.07422	100.0
303.07623	3.6
308.25858	53.0
326.26910	69.6
327.27228	1.3
344.27991	33.3
362.29004	3.2
386.28998	1.4
506.33060	1.3
530.33081	3.7
548.33893	1.9
556.31061	4.2
566.35120	1.5
574.32184	21.6
592.33313	56.4
593.33789	1.2
610.25836	1.2
610.34369	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	610.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.58103	0.8
55.01853	1.2
55.05508	4.2
56.05032	3.0
56.92938	0.9
57.00671	0.9
57.03446	2.3
57.07083	1.0
58.06606	14.5
59.03753	13.2
60.04535	1.7
61.02925	1.4
67.05505	7.5
69.03431	9.2
69.07069	5.2
70.06595	7.1
72.04522	3.8
72.08153	2.2
73.51488	0.9
74.06085	51.8
79.05493	4.4
81.03424	8.9
81.07069	9.4
82.06597	1.5
83.04951	1.1
83.08613	2.8
84.04505	1.6
84.08133	2.8
85.02916	14.5
86.06068	2.8
86.09679	2.3
87.00835	3.5
88.04000	70.1
88.07639	41.4
88.08074	0.7
88.08200	1.2
91.05475	3.2
93.07043	3.5
94.06564	1.6
95.04930	1.2
95.08603	5.9
96.08123	2.1
97.02886	6.1
97.10155	2.1
98.20778	2.8
99.04449	3.5
102.09180	1.9
103.03967	1.2
105.01895	1.7
105.07035	3.6
107.04974	1.4
107.08587	3.2
109.02879	10.8
109.06473	1.0
109.10158	3.3
110.09655	1.1
117.03404	1.0
119.08590	3.0
121.10124	1.9
123.11714	1.4
127.03934	11.7
129.72458	1.0
131.08607	1.2
133.10138	1.4
137.05949	1.1
145.02827	2.5
145.04974	2.5
145.10083	1.3
148.93646	0.9
159.02890	2.0
164.07249	1.0
167.07033	2.1
168.10216	1.0
175.03989	1.4
177.05478	2.8
181.05052	1.4
187.06058	1.2
189.12782	1.8
191.07045	1.0
202.12445	1.0
207.06526	2.4
229.56683	1.1
231.04945	1.1
239.09752	1.3
262.25278	3.1
264.26904	5.8
280.26328	5.5
282.27988	9.9
298.27423	3.2
308.25842	6.0
308.29407	2.0
326.26981	10.8
326.30472	1.4
344.27975	63.5
344.31534	5.0
345.28143	1.8
355.07053	1.4
362.29016	100.0
362.32443	4.5
363.29178	2.4
548.37976	2.3
566.39172	12.6
592.36548	3.1
610.38214	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	2''-O-beta-L-galactopyranosylorientin
Peak:m/z	Relative Intensity
53.03951	2.1
57.03437	4.9
60.45977	1.4
61.02924	3.6
64.46085	1.5
68.53497	1.5
69.03430	2.3
70.06620	2.3
71.33664	1.9
71.33981	2.1
81.03410	4.3
85.02892	13.1
93.03424	2.3
97.02905	3.4
102.31449	1.5
103.03900	2.0
107.04957	3.3
109.02894	3.8
111.04456	1.9
117.03349	1.9
119.04842	1.7
121.02863	3.4
127.03995	1.7
133.02943	1.5
135.04419	10.8
137.02345	38.8
147.04373	2.4
159.70868	1.4
161.02347	6.5
163.03914	5.8
165.01836	6.7
173.02318	1.8
175.03999	3.0
176.01042	1.5
177.01819	6.5
177.05429	2.7
179.03416	5.2
179.04903	1.7
181.04999	2.0
181.60732	1.8
187.03903	1.8
189.01823	15.0
191.03406	7.2
195.02881	6.8
195.04437	1.8
201.01881	2.7
201.05443	3.1
203.03401	14.5
204.04236	2.8
205.04929	2.6
207.02802	7.5
215.03534	3.0
217.04932	3.9
219.02907	6.7
221.04503	2.3
227.03397	3.5
229.04901	3.7
231.02991	2.2
233.04553	1.9
239.03365	2.6
243.02925	3.5
245.04572	3.3
255.02872	2.7
255.06551	2.4
257.04465	2.6
267.06467	2.5
271.06110	2.1
272.06763	1.6
281.04587	1.7
283.06021	8.3
284.06763	8.3
285.04092	2.4
285.07840	2.0
287.05469	12.1
295.05994	7.9
296.06903	4.1
297.07599	10.7
299.02863	1.5
299.05508	56.5
300.06314	9.2
309.07605	6.2
310.04727	22.6
311.05533	87.1
311.08731	3.5
312.06088	8.4
313.07111	13.6
321.07596	2.9
323.05505	54.3
323.08630	2.0
324.06293	19.1
325.03452	3.6
325.07001	23.4
329.06558	56.2
335.05646	4.4
336.06219	5.3
337.07040	33.7
337.11050	2.6
338.07861	10.1
339.05051	2.7
339.08704	12.3
341.06549	100.0
348.05972	2.3
349.07114	10.2
351.04987	3.4
351.08685	16.4
352.05582	3.5
353.06552	72.1
354.06735	2.5
359.08731	1.8
361.07010	2.9
362.07559	2.6
363.04703	2.1
363.08630	12.2
365.06567	40.2
365.09955	1.5
367.08133	27.6
371.07703	20.2
373.06845	3.8
377.06503	22.6
377.10486	2.0
379.08142	8.1
381.09741	9.8
383.07632	14.6
389.06610	6.2
391.08194	10.8
393.05899	2.2
395.07593	66.1
401.06583	3.1
403.08112	2.3
407.07602	31.4
413.08649	12.9
417.09683	2.1
419.07581	21.8
425.08664	44.7
431.09857	19.4
433.09262	3.8
437.08771	24.6
443.09760	37.3
445.09372	2.2
449.10846	21.0
455.09818	31.1
461.09421	6.3
467.10144	1.7
473.10834	90.3
474.11172	1.9
479.09711	6.0
485.09033	2.5
491.11749	22.8
497.10858	30.0
503.09683	3.7
515.11749	20.6
521.10480	7.9
527.11713	26.4
539.11847	25.0
545.13037	11.7
557.12897	30.1
575.14069	22.9
593.14868	10.1
611.15100	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	611.1607
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
53.61967	0.5
55.01836	1.2
57.03409	1.2
61.02878	1.7
61.03171	0.5
68.99744	0.7
69.03430	3.2
71.10526	0.8
73.02895	0.8
81.03396	2.3
85.02908	9.1
97.02906	4.3
98.20772	0.5
99.04385	0.6
103.03902	1.0
109.02809	2.1
121.02797	2.0
127.03839	1.3
135.04353	2.2
137.02347	4.3
142.00778	0.4
142.49200	0.5
145.04965	1.0
149.02313	2.0
161.02290	2.3
162.87317	0.5
163.03909	2.8
165.01845	9.4
167.03423	2.4
177.01784	1.5
181.04930	0.8
183.02888	2.3
187.03923	0.7
189.01697	0.5
191.03392	1.2
195.02892	1.7
200.60785	0.6
203.03384	0.6
205.04910	0.8
215.03433	0.7
223.08530	0.5
243.03082	0.5
245.04411	1.6
255.06461	1.5
265.73035	0.5
271.05923	0.9
272.06857	0.5
283.06015	8.7
286.04727	3.4
287.05530	11.1
292.51981	0.5
293.12985	0.5
295.05981	0.8
297.07584	7.5
299.05505	86.7
300.06253	9.8
301.07074	0.6
310.04837	0.7
311.05472	11.2
311.09128	2.4
312.05939	0.5
313.03656	1.0
313.07101	3.1
321.07587	2.2
323.05551	2.2
324.06299	1.2
325.03668	1.4
325.07053	23.2
327.05249	0.5
329.06570	100.0
330.06796	1.4
337.07040	2.4
339.04709	1.0
339.08652	14.0
341.06726	0.7
349.07104	3.3
353.06567	44.0
358.11807	0.5
365.06604	10.1
367.08203	2.0
377.06558	9.3
383.07626	26.8
384.08078	1.0
395.07645	19.0
395.12833	1.0
413.08688	20.8
413.14230	1.0
431.09760	31.8
449.10822	32.2
450.11197	0.9
539.55988	0.5
567.10065	0.5
611.15936	0.9
615.92395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
53.03921	0.5
55.78473	0.4
57.03397	0.7
61.02889	0.5
68.99766	1.1
69.03378	1.2
71.39149	0.9
72.83090	0.4
79.01829	1.0
81.03380	1.2
85.02905	3.5
85.19143	0.4
86.15983	0.4
97.02856	1.0
109.02817	1.6
121.02831	1.0
127.03867	0.7
132.14188	0.4
135.04437	2.2
137.01381	0.5
137.02356	8.0
137.03357	0.8
141.01784	0.7
145.02846	0.5
147.04411	0.6
149.02307	1.5
161.02321	2.0
163.03853	1.7
165.01849	8.0
165.60780	0.5
167.03426	2.2
177.01801	1.4
177.05458	0.6
178.08522	0.5
179.03368	1.4
183.02844	1.8
187.03877	0.9
191.03342	1.4
195.02884	1.2
203.03314	0.8
205.04993	0.8
207.95726	0.4
213.05559	0.7
215.03316	0.9
217.04910	2.0
229.04976	1.3
233.04498	0.8
241.04900	0.5
243.02873	1.5
245.04414	0.7
255.06700	0.7
258.05276	0.6
259.06070	1.5
261.03787	1.5
271.05988	2.2
272.06680	2.7
283.06039	5.6
286.04675	2.3
287.05524	6.4
295.05991	1.5
297.07578	6.1
299.05502	100.0
300.06265	22.1
300.09793	0.7
301.06906	1.7
309.07486	0.7
311.05551	14.0
311.09067	1.9
312.06451	0.5
313.03552	0.9
313.07028	8.9
321.07520	2.1
323.05396	1.9
324.06314	2.8
325.03735	1.1
325.07071	17.9
327.04984	1.8
328.05801	0.5
329.06555	88.8
330.06860	0.9
337.07062	2.4
339.05087	1.2
339.08621	18.4
341.06519	2.3
343.08185	0.8
349.07016	2.9
351.04922	0.7
353.06558	36.8
354.07028	0.6
359.07669	3.8
365.06555	9.3
367.08142	4.0
371.07922	0.6
377.06570	7.6
383.07620	24.4
395.07663	16.3
413.08661	27.1
431.03595	0.5
431.09766	34.8
449.10803	56.2
450.11343	0.6
475.14783	0.5
491.11786	2.6
514.57910	0.4
515.11761	0.9
547.84381	0.5
593.15259	2.1
611.16156	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	611.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23767	0.8
52.95158	1.0
55.01869	1.0
55.05506	2.0
56.96565	1.6
58.99857	2.6
67.05512	5.8
68.93333	0.9
69.07059	3.6
70.16094	0.8
71.59757	0.9
77.00919	10.0
79.05503	7.2
81.03436	1.7
81.07060	5.8
82.31392	0.9
83.08630	1.5
84.63712	0.8
91.05466	6.7
93.07052	8.3
95.01392	1.4
95.01943	6.6
95.04919	1.8
95.08601	5.0
104.23012	0.9
105.07019	4.8
107.08585	3.7
109.10172	2.5
113.00843	0.9
117.07074	1.7
119.08575	3.7
121.10148	3.9
129.07047	1.1
131.01932	9.5
131.08577	1.9
133.10133	2.6
135.11674	1.8
143.08536	1.0
145.10129	4.3
147.04382	7.1
147.11659	1.9
149.02953	4.2
153.94675	1.1
155.05527	0.9
159.11697	1.6
161.13258	1.1
171.11739	1.1
173.06599	1.2
173.13272	1.2
175.14688	1.0
187.08153	2.1
199.08058	1.1
201.09796	1.7
203.07721	1.2
205.09087	1.5
205.10873	1.3
209.10260	1.0
215.11267	6.1
219.08649	1.2
223.08105	1.3
223.11754	1.3
229.12813	3.1
247.11813	4.3
249.13243	1.2
259.13397	5.3
261.13211	1.8
261.17249	1.0
266.13525	1.2
275.14978	1.9
289.16611	1.1
297.16971	3.3
299.18576	75.9
300.18771	1.6
301.20038	2.5
313.16507	2.6
315.18146	22.9
317.19635	100.0
318.19675	1.5
319.21170	3.6
331.21115	1.2
333.17172	4.0
334.17715	1.8
335.20764	21.8
335.25525	1.5
338.19696	2.6
340.21240	18.1
353.21808	3.8
357.22720	1.2
358.22287	2.2
369.22696	1.3
383.24503	1.2
395.24066	1.2
409.25717	1.2
505.31284	1.2
532.26123	1.0
575.39545	6.5
593.38330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01870	2.3
55.05518	16.6
57.03444	3.3
57.07076	3.5
60.79735	0.6
65.03948	1.5
67.05511	31.2
69.03427	0.7
69.07071	14.1
69.89865	1.5
69.90273	2.1
71.05005	2.0
71.08642	2.9
71.85247	0.7
73.04758	0.6
77.03925	0.8
77.77954	0.6
79.05499	21.4
81.07063	31.0
83.04990	2.3
83.08626	8.6
85.06581	1.7
91.05484	19.1
93.07051	22.2
95.04982	2.7
95.08614	25.1
97.06535	3.1
97.10172	4.3
99.08115	1.6
103.05504	1.3
105.07036	18.8
105.07759	1.0
107.08595	13.2
107.09262	0.8
109.06544	0.9
109.10168	9.2
111.08110	1.3
115.05491	1.8
117.07029	13.9
119.08595	18.9
121.06589	0.7
121.10156	9.1
123.08109	1.3
123.11744	2.8
125.09637	1.8
128.06242	2.2
129.07014	10.3
130.07802	1.0
131.08582	21.1
133.10130	11.7
134.01015	0.7
135.11703	4.9
137.13321	1.3
141.06976	3.9
142.07819	2.8
143.08571	15.1
144.09419	1.1
145.10135	19.6
147.11716	5.5
149.09589	1.0
149.13297	3.1
151.11221	0.9
154.07794	0.9
155.08562	9.2
156.09454	1.6
157.10136	13.2
159.11708	12.1
161.13254	4.1
163.11201	0.9
163.14861	1.4
165.16539	0.7
167.08649	1.9
168.09352	1.0
169.10143	11.1
171.11697	10.7
173.09697	0.7
173.13243	7.1
175.11282	0.7
175.14844	2.2
177.12744	0.8
177.16455	1.5
179.08549	0.6
179.14374	0.8
181.10214	3.8
182.10999	0.7
183.11673	7.9
185.13290	7.5
187.14827	5.8
189.16443	2.1
191.17946	0.8
193.10130	0.9
195.11746	4.7
197.13298	5.6
199.14839	7.1
201.16472	2.6
203.18024	1.3
205.19499	1.0
207.11734	1.1
209.13353	3.1
211.14847	4.4
213.16443	3.1
215.18048	2.4
221.13379	1.4
223.14902	2.9
225.16478	3.5
227.18105	3.2
229.19537	2.3
235.14825	1.7
237.16432	2.4
239.18036	3.0
241.19595	2.2
243.21185	2.3
245.22694	0.7
249.16299	0.9
251.17979	1.2
253.19638	1.2
255.17325	0.9
255.21213	1.5
257.19101	0.8
259.20596	1.0
265.19577	1.7
267.21243	2.0
275.20300	1.8
277.21735	1.0
279.21292	1.1
281.22684	1.2
283.20416	0.7
283.24362	1.0
295.24289	0.8
297.22235	1.5
299.20395	0.6
311.23682	1.1
323.23602	0.8
325.25360	1.3
327.23300	0.8
327.27133	0.8
335.25955	0.9
339.23312	1.0
339.27036	1.3
353.28693	1.5
381.27670	0.8
395.33420	1.0
397.31064	0.9
449.34482	1.0
501.41302	1.5
519.42053	9.0
537.43274	5.7
541.39032	1.0
557.44147	1.1
593.45728	8.8
604.48212	0.7
611.46790	100.0
612.47150	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53725	0.7
53.03944	2.5
55.01865	1.3
55.05515	14.6
57.03447	4.3
57.03682	0.8
57.07069	1.9
65.03943	1.9
67.05510	38.8
69.03429	1.0
69.06715	0.9
69.07072	14.5
69.32249	7.6
71.05012	1.7
71.08630	1.1
79.05495	29.0
81.07060	39.9
83.04978	1.3
83.08624	6.9
85.06552	2.2
91.05491	26.8
91.06071	1.4
93.07051	33.9
95.04954	3.0
95.08615	33.1
97.06534	3.0
97.10172	3.1
98.20767	1.6
99.08098	1.8
105.04517	1.6
105.07038	29.6
107.08604	20.1
107.88010	0.7
109.06519	0.8
109.10161	13.0
111.08085	1.6
113.09644	1.0
115.05427	0.8
117.07029	11.9
119.08592	24.7
120.92970	0.7
121.10162	14.5
123.08105	1.3
123.11735	4.4
125.09634	1.0
128.06306	1.3
129.07011	8.8
130.07811	1.7
131.07585	0.9
131.08571	19.6
133.10143	20.4
133.30208	0.8
135.11711	11.3
137.09622	0.9
137.13261	1.7
140.67699	0.7
141.07008	1.4
141.31696	0.8
142.07797	1.5
143.08566	10.3
144.09369	1.2
145.10124	17.4
147.11693	15.9
149.13281	6.7
151.14874	1.0
155.08566	4.5
156.09338	1.3
157.10149	10.1
159.11705	15.3
161.13275	12.3
161.54243	0.8
163.14848	2.5
168.09360	1.2
169.10139	7.3
171.11708	11.6
173.13263	10.3
174.13893	0.8
175.14845	5.4
177.12862	0.8
177.16414	1.1
181.10124	2.3
183.11705	6.7
185.13283	8.7
187.14828	5.1
189.16441	1.8
195.11748	2.5
197.13261	4.8
199.14838	7.1
201.16441	3.2
203.17949	0.9
209.13239	1.9
211.14891	2.6
213.16473	3.3
215.17989	2.6
217.19495	1.0
223.14909	1.5
225.16483	1.6
227.18065	2.1
229.19545	2.0
231.21144	1.5
237.16383	1.1
239.18114	2.4
241.19594	8.3
243.21178	2.0
255.21153	1.2
257.18948	3.5
259.20584	16.8
261.22247	3.6
267.21213	0.8
277.21796	1.2
289.21469	0.8
297.22168	1.5
315.23221	1.6
325.25208	1.3
331.22916	0.9
333.24249	13.8
335.25854	18.1
337.27463	1.7
339.26935	1.5
351.26624	1.1
353.28381	1.2
359.25836	0.8
376.15732	0.8
381.31293	1.0
393.31747	1.1
427.32260	1.0
433.02164	0.9
437.34467	1.9
451.35709	1.3
501.41403	1.4
503.37238	1.0
519.42059	7.8
537.43207	4.2
541.38855	2.5
586.99976	0.9
588.86578	0.8
593.45624	8.1
611.46735	100.0
612.47272	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
51.47537	1.1
53.03947	4.1
53.37400	1.0
55.01868	2.5
55.05513	22.7
57.03441	6.2
57.07075	3.2
59.62776	1.2
65.03934	2.7
66.12003	1.0
67.05506	52.7
69.07068	23.5
70.26786	1.2
71.05014	2.7
71.05657	2.7
78.09752	1.2
79.05498	41.1
81.07061	51.3
81.43296	1.0
83.04965	2.6
83.08638	9.3
85.06533	2.1
91.05470	34.5
91.05986	1.8
93.07050	47.1
95.04984	3.0
95.08611	42.7
95.26151	1.1
97.06531	3.1
97.10170	3.9
99.08117	1.8
105.04538	1.3
105.07036	35.3
105.07744	1.7
107.08601	25.2
109.06527	2.8
109.10162	15.8
111.08119	1.1
111.11726	1.4
115.05429	1.4
117.07027	17.0
119.08591	30.1
121.10148	19.5
123.11716	6.5
128.06245	3.3
129.07011	11.7
131.08568	25.2
131.09489	1.9
133.10139	25.5
135.08121	2.2
135.11700	13.8
137.13312	1.5
141.07014	3.4
142.07784	2.4
143.08574	13.2
145.10120	25.3
147.11690	18.0
149.09656	1.7
149.13266	6.8
155.08577	5.1
157.10132	12.9
159.11697	21.1
161.13271	11.1
163.11281	2.0
163.14847	4.1
167.08574	1.9
169.10115	8.1
171.11702	12.0
173.13269	12.9
175.14874	4.2
177.16399	1.5
181.10100	2.6
183.11713	7.3
185.13274	10.4
187.14818	5.6
189.16389	2.3
195.11757	2.5
197.13297	6.6
199.14850	5.7
201.16460	4.3
203.17868	1.1
207.11824	1.1
209.13208	3.2
211.14874	4.8
213.16409	4.2
215.17947	2.8
223.14821	2.7
225.16431	1.8
227.18073	2.7
229.19612	1.6
231.21082	1.5
239.17996	3.1
241.19672	6.7
247.20601	1.5
257.18893	6.5
259.20645	12.2
261.22147	3.8
275.20163	4.9
277.21741	2.0
285.22217	2.2
311.23651	1.7
330.93463	1.2
333.24359	8.4
335.25812	13.6
337.27731	2.2
351.26837	1.4
353.28323	1.5
383.29346	1.4
449.33929	1.3
519.41846	6.3
537.43182	4.7
541.38745	2.3
593.45251	6.6
611.46741	100.0
612.47382	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01849	1.3
55.05254	1.1
55.05514	16.3
57.03443	6.9
57.07090	5.4
65.03935	2.0
67.05507	42.9
69.03430	1.2
69.07069	17.0
69.36399	0.8
71.05022	3.5
71.05442	1.5
71.08624	2.3
79.05495	32.4
80.89074	0.9
81.03407	1.6
81.07059	45.4
83.04980	2.5
83.08633	7.3
85.06577	1.1
89.06024	3.8
90.76387	0.8
91.05482	27.8
93.07048	41.0
94.07388	1.6
95.04971	3.6
95.08607	32.1
96.08960	0.9
96.79247	0.8
97.06541	2.6
97.10185	3.8
99.08109	1.6
103.05499	1.3
105.04505	1.1
105.07034	29.7
107.08597	21.8
109.06559	1.3
109.10158	13.9
111.08084	2.0
112.03288	0.9
115.04585	0.9
115.05437	1.6
117.07021	12.2
119.08586	28.9
121.10147	16.6
123.08097	1.3
123.11742	5.4
125.09618	1.9
128.06252	2.5
129.07013	9.9
130.07811	1.5
131.08580	24.0
133.08638	1.4
133.10141	20.2
135.08041	1.4
135.11703	13.8
136.12076	1.4
137.09561	1.1
137.13251	1.6
141.07016	2.5
142.07794	2.0
143.08556	13.1
145.10133	22.1
146.10764	1.0
147.11702	16.0
149.09669	1.8
149.13258	7.2
150.06752	1.2
155.08560	6.1
156.09413	1.3
157.10149	12.2
159.11690	16.6
161.09602	0.9
161.13257	12.8
163.11205	1.5
163.14880	2.8
167.08580	1.5
169.10115	7.4
171.11678	10.7
173.13269	12.9
175.14828	5.7
177.11386	0.9
177.16437	0.9
181.10158	4.9
183.11728	6.0
185.13269	8.9
187.14810	6.4
189.16429	2.3
195.11743	1.8
197.11668	1.3
197.13187	4.5
199.14838	7.3
201.16359	3.1
203.17998	1.6
207.11749	1.0
209.13245	2.2
211.14897	2.0
213.16499	4.7
215.17958	2.9
217.19724	1.0
223.14864	1.7
225.16418	2.9
227.18022	2.8
229.19595	1.8
231.21161	2.5
239.18042	2.5
241.19644	8.1
243.21173	2.2
253.19501	1.6
255.21201	1.5
257.19098	4.2
257.22580	1.2
259.20593	15.2
261.22296	4.3
265.19620	1.0
267.21017	0.9
275.20016	1.9
277.21747	1.0
285.22073	1.3
296.38196	0.9
297.22217	1.1
299.23755	1.1
311.23355	1.0
313.21756	1.2
313.25369	0.9
325.25174	1.1
331.22833	1.0
333.24271	8.1
335.25861	13.9
353.28387	1.6
375.26392	1.2
395.33002	1.4
397.31186	1.0
449.34058	1.1
473.32333	1.2
501.41211	1.4
519.41864	9.1
529.38885	1.2
537.43170	4.9
541.38971	1.3
542.39807	1.2
581.14490	1.1
593.45770	7.8
611.46704	100.0
612.46765	3.9
614.33807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.359
Annotation	Destruxin E diol
Peak:m/z	Relative Intensity
53.03946	1.7
53.07417	0.5
55.01862	0.9
55.05506	1.6
56.05033	6.1
57.03428	2.1
58.06608	1.9
61.02930	1.2
67.05518	4.1
69.03428	7.4
69.07071	1.8
70.06595	6.1
70.30248	1.1
70.30652	1.2
71.05009	0.8
72.04517	0.9
73.02914	1.8
74.02386	0.6
74.06082	100.0
79.05492	2.1
81.03413	6.5
81.07062	4.3
82.06601	0.9
83.04942	0.7
83.08609	0.9
84.08171	0.5
85.02909	9.6
86.06088	1.5
87.00841	2.2
88.07629	3.3
91.05495	1.4
93.07054	2.5
93.51053	0.5
94.06581	1.0
95.08605	2.3
96.08131	1.2
97.02879	5.1
97.06502	0.5
97.10169	0.9
98.06063	0.8
98.20845	0.8
99.04434	2.8
100.07629	0.6
104.07108	1.1
105.01868	1.3
105.07021	1.1
106.02151	0.6
107.08618	0.9
109.02873	4.8
109.10171	0.8
109.29349	0.5
109.41814	0.5
110.09650	0.5
114.15537	0.5
119.08588	0.6
121.10175	1.2
127.03925	7.1
135.11659	0.9
135.19241	0.5
145.05000	2.0
152.16943	0.6
159.02917	1.1
187.05983	0.8
247.50430	0.7
262.25436	0.9
266.24786	0.6
274.25348	0.7
280.26355	1.2
292.26340	3.8
310.27386	5.2
328.28467	7.9
346.29568	18.6
349.38663	0.5
364.30597	25.7
365.30786	0.7
388.30716	0.5
406.31750	0.7
526.35919	0.8
550.35742	3.7
568.36926	18.9
576.33698	0.7
594.34875	5.6
612.35901	77.7
613.35956	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	612.3594
Annotation	Destruxin E diol
Peak:m/z	Relative Intensity
53.03948	2.2
55.01881	1.8
55.05511	2.3
56.05035	7.5
57.03443	2.7
58.06609	3.2
60.04523	1.5
61.02927	1.7
62.28226	0.5
67.05508	2.2
67.05836	0.6
69.03437	13.7
69.07074	2.1
69.35754	3.1
69.36173	1.6
70.06598	7.5
71.04979	1.7
72.04500	0.7
72.08143	1.2
73.02927	2.1
73.05311	0.9
74.06085	100.0
79.05502	1.4
81.03425	9.8
81.07057	3.9
82.06563	0.7
83.08618	1.3
84.08172	1.2
85.02911	15.1
85.06548	0.9
86.06084	1.3
86.09727	0.6
87.00842	4.6
87.04480	1.2
88.07656	4.4
91.05489	1.3
93.07051	2.0
94.06593	0.5
95.08613	3.3
96.08115	1.2
97.02887	5.8
97.10208	0.7
98.06061	1.8
99.04451	3.7
99.09184	0.7
100.07635	1.0
103.03989	0.8
104.07143	1.0
105.01875	0.8
105.07091	1.1
107.05024	0.6
107.08617	1.2
109.02885	7.7
109.10184	2.3
111.08116	0.5
115.08694	1.2
116.07110	0.6
119.04940	0.6
120.08140	0.7
120.89175	0.6
121.10194	1.5
123.11758	1.0
127.03928	11.8
129.01817	0.7
133.10211	0.6
135.11740	0.8
137.05972	0.6
145.05002	1.6
147.04478	1.3
147.11708	0.7
148.95764	0.6
151.07558	0.5
153.01921	0.6
153.18475	0.5
159.02940	1.6
163.03920	0.8
167.07178	1.3
175.04056	0.6
177.05505	0.8
181.04977	0.9
187.06044	1.4
195.11403	0.6
207.06525	1.6
241.21735	0.6
264.14398	1.0
266.24875	0.9
272.20065	1.3
274.25110	0.6
280.26410	1.4
282.28030	0.9
284.26062	0.6
292.26489	2.1
298.27423	1.0
310.27487	5.4
316.05472	0.7
328.25217	0.6
328.28552	3.4
346.25732	1.1
346.29529	8.8
364.26767	1.5
364.30606	28.0
376.24832	0.7
406.31726	0.9
450.27942	0.9
480.13776	3.2
526.35858	0.8
550.36218	4.0
568.36938	24.4
594.34906	4.0
612.35889	88.6
613.35870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01868	1.1
55.05507	2.7
56.05038	6.8
57.03429	2.7
58.06595	3.2
61.02946	1.6
67.05513	3.0
69.03435	11.5
69.07072	2.0
70.06599	7.0
70.82464	0.6
71.05016	1.5
71.61055	1.0
72.04518	0.6
72.08159	0.9
73.02929	2.0
73.05297	1.5
74.06084	100.0
79.05497	1.8
81.03421	9.8
81.07063	4.2
82.06574	0.6
83.08604	1.5
84.04477	0.7
84.08172	1.5
85.02910	15.1
86.06088	1.6
87.00833	3.7
87.04462	1.2
88.07631	3.8
91.05499	2.3
93.07052	1.5
94.06576	1.0
95.04987	0.9
95.08628	3.5
96.08129	0.8
97.02897	6.4
97.06548	1.0
99.04460	4.0
100.07660	1.1
103.03934	1.1
104.07101	0.8
105.01872	1.1
105.07045	1.3
107.08596	1.4
108.08136	1.0
109.02892	6.9
109.10181	2.2
111.04395	0.7
119.04944	0.9
119.08646	0.7
121.10126	1.0
123.04510	0.6
123.11720	1.0
127.03926	10.0
128.89552	0.6
129.01875	1.0
133.10132	0.8
137.06041	1.1
145.05016	2.2
147.04414	1.2
159.02960	1.7
160.07570	0.7
163.04051	1.0
167.06985	1.5
173.13194	0.6
175.03903	0.7
177.05510	1.2
181.05009	0.7
187.05986	0.7
207.06613	2.4
235.20375	0.7
280.26398	1.3
282.28006	1.2
292.26254	3.8
298.27530	1.9
310.27350	5.7
328.28415	4.6
346.25729	0.5
346.29523	11.6
364.30615	29.5
406.31375	0.7
526.35834	1.3
550.35895	4.3
568.36987	25.0
594.34692	4.5
612.35938	86.5
613.35883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
55.01880	5.0
55.05522	29.6
57.03429	18.5
57.07064	5.3
65.03939	5.2
67.05167	5.6
67.05513	96.6
69.07099	26.0
71.08642	8.5
71.30896	7.9
79.05496	61.6
80.05852	5.6
81.03426	75.2
81.07065	88.8
82.07419	4.3
83.04994	10.6
83.08611	26.0
85.06505	5.8
87.04471	5.1
91.05475	60.8
92.05832	6.5
93.07055	81.0
95.04992	31.5
95.08610	68.4
97.06524	6.7
97.10184	10.1
105.07041	39.7
107.04942	9.5
107.08606	33.1
109.06517	6.9
109.10174	32.3
111.08120	8.4
117.06995	18.2
119.08577	37.3
121.10155	31.6
121.10880	5.5
122.10506	4.7
123.11748	12.0
129.06985	8.6
131.08606	21.8
133.10153	25.9
135.11684	14.7
136.12050	5.0
143.08563	10.7
145.10118	17.4
147.11684	14.8
149.09625	5.6
149.13252	10.1
151.11215	5.0
157.10104	14.3
158.10452	5.5
159.11705	14.7
169.10098	6.7
171.11728	4.9
173.13312	14.4
175.11183	7.4
175.14771	5.2
179.14302	12.9
193.12271	22.2
214.05110	5.1
227.12711	7.5
237.60567	4.9
243.21130	5.9
261.22092	22.1
267.15927	100.0
273.55188	4.8
277.21771	4.6
278.22012	6.4
325.24530	5.0
335.25778	76.8
435.32675	6.5
509.37015	5.1
527.37335	49.3
545.38263	21.0
556.78009	4.8
566.38306	4.8
612.27838	13.0
612.47534	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01887	1.2
55.05508	2.6
55.75639	0.7
56.05037	6.5
57.03432	3.3
58.06587	2.5
60.85600	0.8
61.02915	1.1
65.03939	5.5
67.05495	6.0
68.99785	1.3
69.03432	9.5
69.07068	1.8
69.31422	7.3
70.06591	6.4
71.05003	1.4
72.04527	1.3
72.08160	1.6
73.02921	2.3
73.05300	0.8
74.06081	100.0
75.05796	0.7
75.06408	4.7
79.05500	2.5
81.03422	9.2
81.07073	4.9
82.03753	0.9
83.04973	0.9
84.04488	0.9
84.08154	1.5
85.02914	12.1
85.06541	1.1
86.06081	1.3
86.09711	1.6
87.00852	3.3
88.07633	2.9
91.05492	4.8
93.03400	8.2
93.07048	1.8
94.06569	1.5
95.04953	1.6
95.08619	3.3
96.08116	0.9
97.02913	3.9
97.06516	0.8
97.10181	0.8
98.06127	0.9
99.04466	3.3
99.20348	0.7
100.70188	0.7
103.03968	0.8
105.01895	1.3
107.08628	1.3
109.02881	6.5
109.10159	1.6
110.03228	0.9
110.07218	0.9
111.04443	20.3
113.15244	0.8
119.04960	5.2
121.02865	10.8
121.10139	1.5
123.04495	1.1
127.03909	7.7
137.02336	1.8
139.03900	52.1
140.07042	0.9
141.01813	1.1
145.02870	3.1
145.05022	1.8
147.04449	2.5
147.11629	0.8
149.01270	0.9
149.02379	2.1
151.03862	0.8
163.03931	3.2
165.01859	10.9
167.03470	2.8
167.07051	1.6
175.03918	1.7
177.01898	1.3
177.05504	1.0
181.04987	9.3
183.02953	2.5
187.03999	1.2
189.01889	0.9
190.99991	1.1
191.03522	2.3
195.02893	1.5
205.05093	1.1
207.06587	2.2
213.05484	0.9
215.03403	1.2
217.01425	0.9
229.05019	1.3
229.65141	0.9
239.07118	1.6
243.03003	1.6
252.04019	1.0
255.06540	1.6
261.03931	1.0
267.03131	1.7
267.06595	9.0
269.04596	1.0
270.05350	2.8
271.05927	5.3
279.06552	2.5
281.08115	7.0
283.06012	94.7
284.06726	8.8
292.26489	2.6
293.08084	0.9
293.26749	1.5
294.05084	1.0
295.06076	28.3
295.09711	2.6
297.04327	1.3
297.07675	2.2
299.05496	1.1
305.08148	2.6
307.06100	2.8
308.06772	1.8
309.04022	8.8
309.07690	25.3
310.27493	4.2
311.05762	1.8
311.27774	1.4
313.07056	94.8
321.07721	2.7
323.05566	2.1
323.09082	15.5
325.07166	1.9
328.28452	5.7
329.06699	0.8
329.29007	2.8
333.07620	4.7
335.05606	4.3
335.09021	1.6
337.07059	30.4
339.04956	1.6
339.08694	1.6
346.29510	11.9
347.29950	4.4
349.07040	13.7
351.08728	3.8
361.07043	11.5
363.04871	1.2
363.09122	1.0
364.30682	15.7
365.06793	1.3
365.30853	6.3
367.08118	20.8
367.12598	1.4
379.08096	24.7
383.08536	0.8
397.09225	19.9
403.08353	2.9
407.07809	0.9
415.10269	52.4
416.09250	2.6
429.09647	1.9
433.09689	2.7
443.11459	1.2
445.09409	2.5
451.10474	2.1
457.09222	1.9
463.10162	10.7
463.16046	1.1
467.09763	1.0
469.09659	1.1
475.10242	14.4
493.11292	12.1
499.10629	1.5
517.11316	21.4
529.12024	1.1
532.35449	1.0
541.11420	2.9
547.12384	5.7
550.36005	3.0
551.36530	2.3
559.12054	3.5
559.89960	0.9
568.36987	12.5
569.37213	10.8
577.13300	10.1
577.20996	1.1
594.34564	3.9
595.14386	8.8
595.35193	2.7
612.35950	37.7
613.36292	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	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.3
56.96566	26.1
61.24990	1.5
67.05495	3.0
70.13419	5.2
71.95242	3.5
72.96037	1.2
79.05479	1.4
81.07051	1.4
84.96029	4.8
91.05450	2.9
93.07043	2.6
95.04983	1.3
95.08607	2.6
98.20767	1.6
98.97588	80.4
105.07040	4.1
106.99160	1.3
107.08600	2.2
109.10165	1.5
110.97572	6.1
112.99136	33.7
116.98632	33.2
119.08555	1.7
121.06412	1.2
121.10116	1.9
124.99070	2.6
128.98627	6.6
131.00179	43.1
131.08601	1.5
133.10115	2.1
134.99684	7.4
140.00198	2.8
140.98567	3.0
143.00145	10.5
143.08618	1.5
145.10176	1.2
146.99657	3.0
149.01221	27.8
152.98582	1.4
154.01775	3.0
155.00145	1.6
158.99660	31.7
161.01244	7.9
167.02281	4.2
170.99698	3.4
172.02917	2.9
173.01266	7.9
175.02769	1.6
177.00729	33.9
178.80885	1.2
185.01176	3.3
189.00769	3.3
191.02315	6.0
195.01836	2.0
199.02748	9.9
200.02309	4.1
203.02272	4.4
209.01169	2.5
215.02492	2.6
217.03809	3.8
219.01799	9.2
227.02220	3.3
233.03387	2.0
237.02795	6.6
275.04413	21.4
293.05429	54.7
297.13675	1.5
311.06555	9.6
316.07111	4.7
317.17886	100.0
334.08105	1.7
335.18909	25.7
358.20529	11.1
377.20047	7.2
391.21576	4.0
497.24115	5.3
553.26892	50.6
554.26996	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03954	3.0
55.01863	2.8
55.05513	25.1
57.03438	6.7
57.07070	4.9
63.12156	1.8
65.03915	1.9
66.46950	1.6
67.05508	77.1
67.05868	3.9
69.07069	24.4
70.85543	2.1
70.85876	3.0
71.08630	3.2
74.61361	1.5
75.75832	1.6
79.05499	44.6
81.07065	78.0
83.08636	16.7
85.06534	2.4
91.05483	34.2
93.07048	52.4
93.07620	3.5
95.04980	5.4
95.08614	62.9
97.06557	2.8
97.10181	5.8
99.08092	4.0
105.07037	35.3
105.77126	1.8
107.08601	32.5
109.06528	2.1
109.10167	31.4
111.11691	2.0
115.05465	1.7
117.07010	13.3
119.08590	30.7
119.62295	1.8
121.10151	26.5
123.11695	12.3
125.09624	2.6
129.07019	6.5
129.35056	1.6
131.08574	30.3
133.10132	27.5
135.11691	21.4
137.09518	1.8
137.13266	4.0
143.08582	9.7
145.10139	25.3
147.11694	22.2
149.13261	11.5
151.11261	1.7
155.08620	3.3
157.10095	9.0
159.11693	14.9
161.13274	12.5
163.11201	2.5
163.14853	5.8
169.10161	3.3
170.60445	1.6
171.11731	10.8
173.13271	13.0
175.14867	6.8
177.02347	1.8
177.16423	2.1
179.14384	2.1
183.11749	4.0
185.13248	8.1
187.14893	9.8
189.16432	5.2
195.11961	2.0
197.13307	2.8
199.14873	6.8
201.16499	3.5
203.17921	4.5
209.13373	1.9
213.16414	2.0
215.18027	3.3
217.19467	2.0
227.63176	2.1
241.19751	3.3
243.21075	2.4
259.20615	10.2
261.22208	9.5
263.23846	2.2
277.21631	2.3
287.23679	1.8
301.25632	2.3
333.24170	5.8
335.25818	13.6
337.27524	7.9
341.28745	1.7
372.20200	1.7
416.93448	2.0
495.82574	2.1
503.36966	2.6
521.43732	9.0
539.44727	3.9
595.47302	12.3
597.19434	1.9
613.48297	100.0
614.48669	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.39500	1.1
53.03946	5.1
55.05261	1.3
55.05515	22.3
57.03446	9.2
57.07088	5.9
65.03946	3.8
67.05510	68.3
68.72480	0.9
69.06721	1.2
69.07076	21.7
70.12845	4.7
71.04990	2.1
79.05500	40.5
81.07063	70.6
83.04988	1.6
83.08623	12.2
83.43388	1.1
85.06544	1.9
87.25477	1.0
91.05487	35.1
93.06461	1.8
93.07056	49.0
95.04974	4.5
95.08614	54.4
95.09231	2.7
96.11369	1.0
97.06529	3.7
97.10161	5.3
98.20782	1.1
99.08086	1.0
100.61753	1.2
103.05481	1.5
105.07036	32.4
107.08604	25.2
107.35698	1.1
109.06522	1.3
109.10171	27.2
111.08047	2.0
114.05817	0.9
115.05489	1.4
116.35622	1.0
117.07033	13.2
119.08590	28.5
121.10153	22.7
123.11707	9.5
125.09698	1.5
128.06267	1.2
129.07047	5.9
131.08575	21.5
131.09512	1.9
133.10135	25.7
133.11063	1.9
135.11710	16.7
137.09567	1.8
137.13284	3.9
138.18617	1.2
142.07782	1.2
143.08559	8.0
144.09308	1.7
145.10130	22.1
147.11696	18.9
149.09764	1.4
149.13266	11.8
151.14861	2.0
155.08572	2.4
157.10153	7.1
159.11687	17.1
161.13300	11.7
163.14806	4.8
167.08585	1.4
169.10170	3.0
171.11755	6.5
173.13274	11.2
175.14847	6.1
177.16402	2.2
179.17860	1.1
180.03635	1.0
183.11780	2.1
185.13297	6.2
187.14905	7.0
189.16460	3.1
195.11819	1.1
197.13222	2.5
199.14824	5.8
201.16415	4.1
203.18057	1.5
213.16399	4.0
215.17934	2.7
217.19614	1.5
223.14906	1.1
229.19659	1.7
231.21149	1.6
241.19594	3.5
243.21194	1.8
245.22748	1.5
257.19278	1.2
259.20612	9.3
261.22180	11.9
263.23834	1.2
279.23233	1.7
281.21115	1.4
285.21985	1.2
287.23682	1.7
299.23895	2.2
301.25119	1.6
313.25296	1.8
317.24854	2.2
321.24506	1.5
333.24396	5.9
335.25833	18.2
337.27408	11.3
347.25916	1.5
369.31406	1.3
400.57703	1.2
489.35822	3.2
503.43063	2.0
517.39490	1.7
521.43848	6.6
521.50812	1.5
529.38837	2.3
539.44678	3.9
543.40686	2.3
595.47162	14.5
613.48322	100.0
614.48688	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03937	2.2
55.05516	18.5
57.03433	5.5
57.07069	5.9
65.03948	2.2
67.05508	35.4
69.07066	15.7
71.04985	2.6
71.59961	3.0
73.04760	3.5
74.06081	4.9
74.09721	20.7
75.10053	3.2
79.05495	25.0
81.07059	43.7
81.07513	3.5
83.08627	8.7
85.88374	2.0
87.28817	1.8
91.05435	18.0
93.07050	25.8
95.04982	4.2
95.08609	29.2
97.06542	3.9
97.10153	3.4
105.07026	23.1
107.08615	20.6
109.06486	2.5
109.10165	15.8
111.04436	2.8
117.07035	8.3
119.08574	25.3
121.10147	14.7
123.11720	5.1
125.09732	2.7
129.06996	4.0
131.08589	20.5
133.10147	12.7
135.11754	8.7
137.05977	6.9
143.08591	6.2
145.10133	19.8
147.11646	10.6
149.13335	3.5
155.08672	2.5
157.10135	7.3
159.11713	13.8
161.13303	5.8
171.11700	4.6
173.13289	8.9
175.14841	6.3
179.14282	2.5
185.13231	3.5
187.14908	6.4
189.16452	2.0
197.13332	3.4
201.16338	2.2
215.18173	2.4
241.19662	3.6
243.56233	2.3
259.20782	3.6
261.22202	4.1
269.22650	2.3
277.18060	3.0
297.22281	2.5
333.24191	3.3
335.25815	3.4
357.06845	2.5
421.34625	2.2
521.43854	8.8
539.44897	2.9
543.40784	3.3
595.47687	8.6
613.48376	100.0
614.48718	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.05518	28.2
57.03447	21.1
57.07074	7.1
67.05510	69.2
69.07070	28.4
71.04967	3.4
74.75008	2.8
79.05503	24.1
81.02967	5.8
81.03422	91.5
81.06577	3.2
81.07060	66.4
83.04984	7.3
83.08620	23.9
89.06024	13.5
91.05492	28.1
93.07042	28.6
95.04968	26.7
95.08609	42.5
97.06527	5.9
97.10148	8.6
105.07044	22.4
107.04984	7.2
107.08588	17.3
109.06520	4.1
109.10141	19.8
111.08084	6.7
111.11742	2.9
117.06985	6.9
119.08590	25.6
121.10133	13.4
123.08082	4.7
123.11710	6.1
125.09645	4.1
129.06984	11.3
131.08568	9.9
133.08641	7.2
133.10146	15.8
135.11690	7.1
143.08554	3.9
145.10118	7.9
147.08047	5.5
147.11684	14.6
149.09689	3.1
149.13266	5.4
157.10150	11.5
161.13237	3.2
163.11198	5.1
165.12785	3.9
173.09665	3.4
175.11186	5.3
193.12242	30.5
227.12787	3.7
263.23956	4.1
267.15915	100.0
282.60416	3.1
303.26868	3.5
337.27423	80.9
437.34464	3.6
529.38898	70.6
547.39783	24.1
614.10333	3.1
614.47821	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	614.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
57.03447	1.3
57.07077	54.3
59.05010	2.2
67.05493	4.4
69.07078	9.8
69.36549	5.3
69.36981	5.0
71.08636	49.4
73.06551	5.8
76.77510	1.1
79.05491	2.6
81.07055	5.4
83.04977	1.6
83.08621	5.6
85.10187	31.8
87.04478	8.6
89.06036	100.0
91.05480	3.4
91.07592	1.3
93.07059	3.0
95.08597	3.4
97.10163	3.8
99.11747	7.9
105.07042	2.9
107.07089	2.2
107.08598	4.5
109.10152	2.0
109.23695	1.0
111.11723	4.1
111.52985	1.1
113.13287	6.6
117.09142	6.4
119.08568	2.5
121.10175	2.9
123.11692	1.2
125.13293	3.7
127.14818	3.0
130.08658	2.5
131.07039	2.8
133.08609	71.4
134.86325	1.3
142.21864	1.2
145.10059	1.5
157.10168	1.6
159.11588	1.7
161.11713	1.7
173.13359	1.3
175.09709	1.6
177.11224	27.5
179.12701	1.4
218.20879	1.1
221.13716	6.8
239.14835	1.9
265.16510	2.6
271.26309	2.4
283.17538	1.8
309.19110	1.8
315.28952	3.8
327.20184	2.1
335.25778	1.6
354.40573	1.2
371.22845	1.7
415.25320	7.7
597.45801	7.9
614.48077	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	615.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
63.50048	0.3
63.58694	0.3
64.88697	0.3
67.05496	1.0
69.07068	0.6
75.58480	0.3
78.35457	0.4
79.05472	0.5
81.07056	0.9
83.08592	0.4
89.05993	1.5
91.05488	0.7
93.07046	1.0
95.08601	1.0
97.10217	0.3
105.07057	0.8
107.08601	0.9
109.10155	1.0
117.07031	0.4
119.08578	0.9
123.08162	0.4
131.08568	0.5
133.08600	1.1
133.10127	0.9
135.11717	0.3
145.10124	0.4
147.08130	0.4
147.11586	0.4
151.07611	0.4
157.10164	0.4
159.11899	0.3
177.11284	0.4
185.13356	0.5
203.14322	0.4
207.11497	0.3
221.15411	0.8
230.49739	0.3
269.92487	0.4
407.82053	0.3
431.71921	0.4
495.18066	0.4
509.19034	0.7
510.20267	9.0
523.20801	0.4
524.21777	4.1
538.23639	0.4
539.24207	100.0
540.24585	2.2
545.13300	0.4
583.23590	0.7
615.25745	1.5
615.40240	1.1
615.50446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23468	1.3
53.03947	3.0
55.01858	1.4
55.05511	21.0
57.03447	6.8
57.07075	9.2
65.03942	2.9
67.05508	57.4
69.07071	26.6
69.52667	3.9
69.53094	4.1
71.04988	1.4
71.08631	2.7
79.05494	32.3
81.07058	65.0
83.04974	2.3
83.08617	14.7
85.06538	2.5
89.06074	2.5
91.05476	22.9
91.67870	1.1
93.07048	42.0
95.05002	2.6
95.08609	55.6
97.06530	2.6
97.10172	8.3
98.20722	2.1
99.08115	2.6
105.04540	1.3
105.07034	21.4
107.08592	22.8
109.06555	1.2
109.10159	22.6
111.08068	2.2
111.11770	2.8
115.05466	1.2
117.07039	6.2
119.08587	26.1
121.10142	25.4
123.08151	1.2
123.11728	8.7
129.07021	2.5
131.08578	13.2
133.08623	2.0
133.10130	19.8
135.11690	15.6
137.13246	3.3
139.11192	1.3
141.06964	1.3
141.32518	1.1
143.08566	3.9
145.10129	16.0
147.11685	13.3
149.09697	1.3
149.13254	9.6
157.10132	4.4
159.11697	10.7
159.51764	0.9
161.13274	10.0
163.11301	1.1
163.14832	3.7
171.11713	4.5
173.13278	7.6
175.14868	5.0
177.16414	2.6
179.17853	1.1
183.11702	2.0
185.13200	2.2
187.14850	4.8
189.16418	3.2
190.70575	1.0
191.18085	1.9
197.13277	1.9
199.14842	2.8
201.16435	3.0
205.19463	1.6
211.14688	1.4
213.16438	2.0
215.17993	2.6
217.19548	2.1
219.21169	1.9
227.18089	1.5
231.21063	1.3
233.19205	1.0
233.22688	2.4
239.17966	1.2
241.19580	1.5
243.21088	3.1
245.22690	1.8
259.20535	5.3
261.22214	7.8
261.24969	1.1
263.23755	1.7
277.21756	1.4
278.57764	1.3
287.23917	1.4
289.25467	1.2
297.24457	1.3
301.25381	1.6
317.24792	1.3
333.24222	2.9
335.25754	8.9
337.27328	10.2
339.28995	4.9
347.25604	1.1
363.29410	1.4
517.38910	1.2
523.45184	5.5
531.40472	1.1
533.42383	1.1
541.46094	4.1
597.48700	13.1
615.49841	100.0
616.49329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13516	0.7
53.03955	2.0
55.01851	1.2
55.05513	21.2
57.03439	6.8
57.07083	6.6
65.03941	2.3
67.05508	55.9
69.07071	25.6
69.07449	1.3
69.92640	2.4
69.93050	1.4
71.04993	1.5
71.08635	2.3
75.42305	0.7
79.05495	31.3
81.07059	60.0
83.04984	1.7
83.08621	14.6
84.08321	0.6
85.06550	2.7
85.10182	1.5
89.06014	1.7
91.05482	23.7
92.12107	0.8
93.07046	37.1
95.04962	3.8
95.08609	48.0
97.06541	3.5
97.10165	8.6
99.08077	1.7
105.04510	0.9
105.06345	0.6
105.07030	22.1
107.08604	23.3
109.06518	1.0
109.10162	19.0
111.08101	1.2
111.11722	2.0
113.09630	1.5
115.05495	1.1
117.07003	6.8
119.08582	24.2
121.10149	20.0
123.08075	2.2
123.11711	10.1
125.09663	1.1
129.07025	3.1
131.08559	13.4
133.10138	16.0
135.08060	1.0
135.11708	13.8
137.13292	3.5
139.11241	0.9
141.07039	1.4
143.08569	4.6
145.10130	13.0
147.11707	11.9
149.13251	8.1
151.14847	2.2
155.08568	1.1
157.10187	4.2
158.49875	0.8
159.11694	10.7
161.13254	8.1
163.11227	1.5
163.14828	5.2
165.16396	1.3
171.11746	3.2
173.13260	6.4
175.14851	5.4
177.16458	2.8
177.91183	0.7
183.11723	1.5
185.13315	2.5
187.14835	4.3
189.16405	1.9
189.74023	0.8
190.38324	0.8
191.17929	1.3
199.14954	2.4
201.16463	1.9
203.18037	1.7
211.14772	0.8
213.16563	1.1
215.17928	1.8
217.19618	1.0
219.21114	1.5
225.16217	0.9
229.19595	1.1
231.21191	0.9
233.19014	0.9
233.22783	1.1
241.19754	1.6
243.21133	3.0
245.18990	1.3
245.22662	1.6
247.20514	1.9
247.24338	1.2
259.20453	4.7
259.24353	1.0
261.22144	10.3
263.23764	3.0
267.19489	1.3
273.22162	0.9
275.23828	1.1
287.23639	1.3
289.83478	1.0
301.25302	1.6
302.60275	0.9
309.24628	0.8
313.25391	0.9
317.24814	2.7
317.28278	0.9
323.26242	0.9
329.28510	1.0
333.24347	3.1
335.25763	10.5
337.27383	15.2
339.29022	4.9
357.31802	1.0
489.37131	0.8
491.37549	1.5
503.36972	1.6
523.45142	7.3
531.40662	1.7
533.42047	1.0
541.46167	4.2
545.41895	1.7
597.48602	12.8
615.49878	100.0
616.50525	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64336	1.2
53.03946	3.1
55.05514	19.4
57.03451	6.1
57.07078	7.2
65.03954	1.5
67.00302	1.0
67.05509	44.2
67.05869	2.5
69.07070	23.3
71.05001	2.1
71.08632	4.6
71.46436	1.6
71.46777	1.4
72.74744	1.0
78.98502	1.0
79.05497	27.7
81.07062	48.7
83.04995	2.5
83.08622	12.0
85.06545	3.0
85.10185	1.4
89.06030	2.0
91.05479	18.6
93.07047	29.7
95.04979	3.0
95.08610	35.8
97.06534	3.4
97.10201	5.8
98.80779	1.2
99.08086	1.7
105.04599	1.1
105.07039	25.3
105.07746	1.4
107.08604	19.3
109.06506	1.7
109.10159	13.6
111.08088	2.4
117.07005	6.8
119.08591	20.3
121.10152	13.7
123.08144	2.2
123.11721	6.5
129.07021	2.3
130.07753	1.7
131.08578	15.0
133.08601	1.5
133.10143	15.5
135.11711	9.4
137.13245	2.7
143.08598	4.5
145.10146	14.8
147.11734	8.7
149.13261	6.3
151.11140	1.1
151.14809	1.2
157.10133	4.2
159.11688	7.7
159.27403	1.2
161.13226	5.8
163.14879	3.7
169.10289	1.3
171.11743	4.6
173.13263	4.9
175.14857	3.6
177.16382	2.5
183.11601	1.5
185.13286	3.0
187.14832	3.5
189.16396	4.9
191.17940	1.3
197.13245	1.8
199.14908	2.5
201.16393	3.3
203.17941	2.4
215.17995	1.5
233.22720	2.0
243.21193	2.6
257.92657	1.3
259.20572	1.5
261.22235	3.7
335.25854	2.6
337.27319	3.9
357.31812	1.4
360.85165	1.3
371.33499	1.5
503.36728	1.4
523.45087	5.1
541.45837	3.8
544.82178	1.1
557.44482	1.1
597.48743	11.3
615.49792	100.0
616.50653	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	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01861	2.5
59.32928	2.0
61.02898	2.5
69.03429	4.6
70.06574	4.1
71.59832	3.0
78.04703	2.0
79.05486	7.1
81.03418	13.1
85.02896	14.2
86.09711	2.3
91.05493	5.8
95.04945	6.5
97.02885	6.0
98.91178	2.1
105.07023	3.0
107.04957	17.4
109.02828	2.3
115.05441	7.1
117.07014	9.3
121.06534	2.1
123.04452	5.6
124.05180	4.1
127.03916	3.5
128.06281	2.4
129.06995	5.1
131.08582	8.0
135.02943	3.7
137.05998	3.8
141.06966	4.2
144.05719	4.1
145.06511	17.6
151.03966	2.7
152.05676	100.0
153.04100	5.1
153.05400	2.9
155.06004	3.4
156.05692	8.8
157.06516	3.3
158.07237	2.8
159.08037	12.0
161.05881	2.7
167.05606	3.9
167.07042	78.5
173.05968	17.7
175.04031	2.5
177.05505	3.0
179.07036	2.4
181.04994	2.7
181.41229	2.0
186.06740	3.3
187.07533	9.5
190.06241	10.3
193.08740	3.2
202.06172	4.6
203.07031	3.6
205.08589	30.5
207.06563	5.0
208.05127	4.0
211.09877	2.3
217.08597	30.2
219.08018	10.3
219.10107	4.4
229.08580	5.8
231.07979	4.2
231.10193	4.4
233.06064	2.3
235.09686	6.2
236.08398	2.7
247.07483	9.7
247.09679	12.8
248.08392	8.0
251.10870	2.8
254.05699	3.0
259.07733	2.1
261.09280	3.6
262.09738	3.0
263.07150	2.9
263.10623	8.3
264.07816	7.6
265.10666	8.9
267.06677	3.1
269.08041	9.8
271.09695	4.8
275.07101	4.0
276.07819	4.9
279.10132	8.3
281.07962	2.7
282.08820	4.7
291.10184	7.1
292.07205	3.9
293.08005	3.1
299.09235	3.2
305.08163	2.8
306.08981	2.6
307.09680	9.2
308.10345	5.2
311.12531	2.7
315.08679	29.6
315.12131	2.0
319.09628	3.7
321.07629	4.1
321.11044	3.0
323.12845	9.2
330.10974	47.0
331.11713	6.2
336.09845	4.6
337.10696	3.8
339.12247	7.2
343.11780	6.5
351.12009	16.0
353.10095	5.6
356.12485	2.8
368.12506	8.3
369.13138	3.5
371.14868	9.4
373.16467	2.3
383.14920	85.7
385.16660	3.3
401.15958	53.9
436.22180	12.8
454.23010	26.5
616.28229	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30996	2.6
69.03423	3.0
71.03880	5.3
79.05489	9.3
81.03404	9.3
85.02904	9.4
91.05483	6.1
103.05461	2.7
107.04968	22.2
121.06522	2.8
123.04451	7.0
128.06155	4.9
129.07011	5.9
131.08589	3.5
135.03017	5.4
145.06485	12.0
149.05974	4.6
152.05685	99.9
153.04106	3.8
156.05682	8.6
157.06439	3.8
159.08070	9.8
167.05611	5.9
167.07045	100.0
170.07205	4.0
173.05980	9.1
177.05521	3.8
181.05002	3.4
181.08565	13.0
184.05174	4.9
187.07509	8.4
190.06284	8.3
193.08633	8.4
198.74214	3.3
199.07733	3.1
202.06212	3.6
203.07027	3.4
205.08575	21.6
207.06517	5.3
217.08556	34.8
219.08112	5.2
219.10181	5.5
229.08699	4.0
231.08173	3.5
231.10297	14.5
245.09727	3.3
247.07617	5.0
247.09735	11.4
248.08304	5.8
249.11266	8.1
261.09167	6.0
263.10559	3.5
264.07813	5.6
265.10852	3.9
269.07980	3.3
276.07935	3.7
277.08374	5.0
279.10059	4.9
291.10260	4.2
293.08090	8.4
299.85849	3.2
307.09595	5.0
308.10516	5.0
315.08759	14.2
322.82669	3.4
323.12830	4.6
330.11011	20.2
331.11649	7.6
339.12424	4.4
351.12189	11.5
353.13843	4.3
368.12485	5.3
369.12918	4.0
371.15070	5.4
383.14905	80.4
385.16452	20.1
401.15955	41.5
415.63031	3.7
431.73914	3.6
436.21771	6.6
454.22925	10.8
541.56427	3.2
616.27100	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	616.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
53.34321	1.7
55.01873	3.2
55.30624	1.5
62.55813	1.6
65.03931	4.3
66.13670	1.8
69.03431	3.3
69.76690	9.7
75.04467	2.9
78.04707	2.8
79.05498	2.8
79.11501	1.4
81.03445	3.0
85.02909	10.5
89.03947	1.9
91.05486	15.5
93.03421	11.6
93.07044	6.2
93.15766	1.7
95.04945	4.0
97.02901	3.9
97.06560	3.0
103.05466	6.8
105.04577	1.9
105.07028	7.6
106.04173	32.3
107.04974	2.6
109.02845	1.7
115.05470	2.0
117.03365	2.4
119.04993	2.0
121.06504	30.6
123.04414	2.4
125.05986	8.5
127.03926	2.5
131.04936	2.3
133.06500	8.6
134.03662	4.7
136.06160	10.4
137.05991	5.2
138.06746	2.1
139.07571	3.5
145.02882	1.8
145.04945	3.4
147.04211	1.6
148.05170	3.0
149.05992	48.3
153.09048	9.5
161.05966	9.0
162.07779	12.3
162.72345	1.9
163.07658	2.2
166.06255	3.1
167.07089	9.0
177.05473	24.7
181.08598	26.1
184.06619	1.8
191.06999	2.8
193.08647	24.1
209.08105	100.0
240.89215	1.6
289.50394	1.7
371.13446	1.9
383.15125	2.0
394.29459	1.9
438.21573	1.6
454.23004	7.4
616.27722	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	616.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01872	3.1
56.96557	1.1
61.02920	1.4
65.03937	3.2
67.05501	2.1
69.03423	1.9
69.07060	1.2
69.60907	6.6
70.06592	3.8
71.05038	1.2
75.04476	4.0
77.03891	1.0
78.04710	1.9
79.05494	3.9
81.03423	2.3
81.07023	1.5
83.48279	1.0
84.08147	2.6
85.02912	7.1
86.09699	1.5
89.03911	1.6
91.05478	12.2
93.03408	11.9
93.07037	7.8
95.04971	4.8
97.02904	3.0
97.06533	3.2
98.20753	2.2
98.97565	1.0
103.05463	7.6
105.04508	1.7
105.07040	13.3
106.04184	25.3
107.04973	4.0
109.02907	1.6
109.06522	1.2
115.05456	2.7
118.04187	1.8
119.04950	3.9
121.06514	29.6
121.07357	1.8
123.04443	1.8
124.05247	1.2
125.06005	8.4
126.09081	1.0
127.03918	2.9
131.04953	3.6
133.06497	10.2
134.03651	4.3
134.04584	1.1
136.06200	6.2
137.05981	5.5
139.07539	2.7
143.06064	1.0
145.02902	1.5
145.05014	1.1
146.05911	1.6
147.04431	3.6
148.05197	4.0
149.05991	47.0
151.07532	2.9
152.05685	7.2
152.08324	1.6
153.05453	2.7
153.09132	12.2
160.07658	1.0
161.05997	20.4
162.07748	8.8
163.03909	2.5
163.07599	3.2
165.05476	1.4
167.07056	6.1
175.03943	3.4
177.05472	25.7
181.04965	1.0
181.08592	22.4
183.06589	1.1
191.07028	24.5
193.08615	25.0
207.06525	9.6
209.08104	100.0
210.08466	1.4
243.15974	1.1
332.15012	2.8
350.16333	1.2
369.13211	1.1
383.14914	1.6
387.14417	2.0
388.96796	1.1
436.22229	1.5
454.23004	4.6
476.19235	2.3
591.46344	1.0
598.26056	1.1
616.29785	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.44793	1.0
55.01868	2.3
61.02938	1.2
65.03942	4.1
67.05518	1.7
69.03435	1.6
70.06591	2.0
71.06524	2.0
71.63303	1.1
72.08152	1.3
75.04474	3.0
78.04708	1.9
79.05502	2.2
81.03448	1.7
85.02898	5.5
86.09721	1.7
89.06039	1.3
91.05490	10.0
93.03417	12.0
93.07052	5.9
95.04980	4.9
97.02905	1.4
97.06554	2.5
103.05500	6.2
105.06998	1.3
106.04182	23.9
107.04941	2.8
107.08543	1.0
117.03456	1.7
118.68708	1.2
119.04932	2.4
121.06521	31.0
123.04439	3.0
125.06012	9.3
131.04906	1.7
133.06435	1.8
134.03667	4.1
136.06128	1.1
137.05980	3.5
138.06853	1.1
139.07553	1.6
145.02829	2.5
147.04433	2.5
148.05188	2.3
148.63927	1.1
149.05997	44.7
150.05652	1.3
151.03806	1.1
151.07518	2.8
152.08350	1.3
153.05486	1.5
153.09097	11.1
161.05986	3.2
162.07774	3.1
163.04010	1.1
163.07521	2.1
166.06224	1.3
167.07059	3.9
168.06567	2.2
175.03891	3.1
177.05481	23.1
181.05046	2.0
181.08630	18.0
191.07028	1.4
193.08585	2.3
197.30789	1.1
207.06589	3.1
209.08105	100.0
313.16910	1.2
369.13315	1.6
387.14441	3.7
391.17227	1.3
409.15164	1.0
439.68835	1.1
616.37439	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	616.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
55.05512	43.6
57.03436	16.3
57.07075	7.3
59.05015	3.7
65.03935	3.1
67.05505	100.0
69.03429	3.5
69.07066	26.3
71.04975	3.4
71.60208	3.6
74.30371	2.7
79.05491	32.2
81.03429	2.9
81.07058	63.3
83.04982	8.7
83.08618	21.5
85.02908	12.6
85.06540	6.1
87.04471	9.7
91.05472	21.2
92.93097	2.7
93.07049	26.6
95.04974	4.1
95.08613	49.7
96.08864	3.7
97.06524	7.4
97.10155	19.0
105.06997	19.5
107.08593	21.8
109.06549	4.0
109.10151	43.7
111.08101	5.9
117.07034	3.4
119.08579	21.4
121.10133	15.4
123.08047	6.0
123.11691	8.1
123.14671	2.6
125.09629	23.5
131.08582	4.0
133.08653	3.2
133.10130	10.1
135.11688	6.8
142.07864	3.4
143.08577	5.4
143.10645	6.5
145.10118	7.9
147.11682	3.9
150.97206	2.9
151.07623	3.0
157.10147	3.7
161.13303	4.1
163.11195	6.4
171.11630	5.3
173.11743	10.0
175.14877	4.7
181.12253	4.0
191.65601	2.7
193.10283	3.3
193.12117	3.5
199.13271	15.1
209.11685	3.6
221.15379	5.9
229.14371	29.5
239.92160	2.8
245.22812	3.1
263.23782	6.4
301.16470	10.9
337.27356	72.6
366.09601	2.7
445.28421	2.9
479.37341	5.5
491.36948	13.3
616.28180	5.0
616.40582	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76090	0.5
54.56452	0.4
55.05490	0.9
56.96566	26.1
67.05495	1.0
69.93353	2.0
71.95244	1.0
74.97659	0.5
79.05515	0.6
81.03414	0.5
81.07063	0.8
84.96036	21.6
91.05495	1.3
93.07043	1.2
95.04938	0.6
95.08622	1.6
98.97587	19.2
102.97085	1.5
103.90419	0.5
104.10741	0.6
105.07058	1.5
107.08597	0.9
109.06520	0.6
109.10156	0.6
110.97581	4.7
112.99163	1.6
116.98620	6.8
119.08595	1.0
121.10162	1.0
124.99129	8.6
125.98695	0.5
126.97096	0.7
128.98592	4.6
131.00201	3.0
131.08559	0.9
133.10126	0.6
134.99652	1.0
136.13118	0.5
136.99146	0.7
139.00670	1.2
140.00163	0.8
140.98611	3.8
143.00162	15.5
143.01248	0.9
143.30807	0.5
144.98091	6.8
145.10106	0.7
146.99654	2.2
149.01230	3.8
151.07553	0.5
152.00403	0.5
154.93259	1.0
155.00186	4.3
155.08539	0.5
157.01709	1.3
157.10251	0.5
158.99648	3.8
159.11630	0.9
159.28894	0.5
161.01233	9.7
162.93707	0.7
162.99184	4.4
164.98650	1.3
165.09099	0.5
166.01814	1.3
167.02321	0.9
172.94321	1.5
173.01228	3.3
179.02269	1.3
180.94751	3.6
182.99664	7.9
185.01245	0.8
189.00870	0.7
190.95372	0.8
191.02399	0.7
194.80627	0.5
196.02911	0.5
198.95847	4.6
201.00711	9.3
203.02322	0.8
212.97366	0.9
219.01880	1.7
221.15422	1.3
222.95869	1.7
224.02356	0.7
224.97484	1.8
228.96953	2.0
233.15492	0.5
240.96875	5.7
242.98427	2.3
246.95851	2.9
246.98074	1.5
254.98497	1.2
258.97870	0.9
264.94110	0.6
264.96906	10.1
264.99585	0.8
282.97955	19.7
287.98596	0.7
296.99579	0.9
300.98993	10.7
305.99561	1.8
317.17871	27.0
324.00806	0.7
335.18893	9.1
357.01614	3.3
358.20670	1.5
368.64545	0.5
375.02609	2.4
376.42691	0.5
391.21805	2.4
394.67050	0.5
419.36090	0.5
422.41241	0.6
557.20819	2.1
599.22430	2.3
617.23029	100.0
618.23615	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	617.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
57.03437	1.1
63.91510	0.4
65.03951	0.5
67.05510	4.8
69.07070	1.1
70.72575	0.9
70.72952	0.8
79.05500	2.3
81.07063	4.3
83.04985	0.7
83.08606	0.5
87.04476	0.4
91.05479	1.8
93.07050	2.9
95.04990	0.9
95.08626	2.7
105.07025	0.8
107.08596	1.6
109.10165	1.5
119.08596	1.6
121.10172	1.6
123.08085	0.5
123.11742	0.7
131.08603	0.9
133.10144	0.8
135.11726	0.8
145.10135	0.7
157.10220	0.4
159.11757	0.6
171.11620	0.5
189.12915	0.4
221.15477	0.8
233.11482	0.7
283.15170	17.0
335.25885	0.9
339.17767	3.8
617.40259	100.0
618.32019	0.6
618.40393	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	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87884	2.7
53.03929	6.4
55.01872	3.3
55.05514	28.4
57.07075	16.3
59.04998	3.9
65.03945	8.8
67.05516	34.3
69.03426	15.0
69.07069	30.3
69.35480	26.1
71.05011	4.1
78.55064	2.8
79.05495	39.7
79.05911	5.6
81.03422	4.8
81.07065	53.9
83.04985	28.6
83.08626	15.5
85.02916	3.2
85.06553	12.1
87.04458	4.0
91.05488	61.1
93.07055	84.6
95.04969	27.4
95.08616	37.5
97.06535	21.5
98.21492	6.3
103.05486	7.5
105.00035	2.8
105.04542	3.3
105.07039	100.0
107.04951	5.7
107.08607	68.7
108.08858	3.2
109.06527	24.6
109.10161	31.7
111.08112	5.8
111.11723	6.1
115.05442	10.4
117.07025	24.7
119.04889	4.0
119.08591	73.0
121.06520	16.6
121.10149	95.8
123.07309	3.1
123.08072	20.3
123.11697	9.6
125.05999	23.6
125.09603	16.4
128.06236	12.2
129.07034	22.4
130.07800	7.6
131.08565	47.0
133.06496	7.2
133.10141	50.5
135.08051	19.0
135.11711	13.8
137.09633	13.9
139.11169	9.6
141.06995	11.5
142.07774	28.2
143.08601	36.2
144.09328	7.3
145.06448	3.5
145.10133	78.7
146.10831	3.2
147.07037	2.8
147.08003	14.5
147.11749	16.9
149.09633	29.0
151.07509	8.0
151.11134	4.2
153.07056	3.7
155.08598	17.6
155.10645	6.9
156.09369	18.7
157.10141	56.0
158.10915	4.5
159.08076	20.1
159.11729	38.8
160.08792	3.8
161.09627	18.9
161.13321	5.0
163.11185	43.6
165.06973	10.3
165.09120	12.4
165.12808	3.6
166.07703	4.7
167.08539	11.8
167.10695	79.9
168.09322	3.8
169.10107	31.3
170.10875	7.7
171.11736	34.1
173.09610	9.4
173.13211	17.2
174.10542	3.1
175.11194	12.3
175.14861	4.7
177.12762	7.5
178.07727	4.1
179.08553	11.0
179.10632	4.3
180.09286	5.4
181.10172	18.6
181.12239	36.9
182.10922	6.5
183.11714	25.4
184.12491	3.8
185.09622	9.2
185.13231	15.8
187.11139	9.1
187.14859	4.8
189.12740	10.0
191.14346	5.6
192.09305	5.7
193.10184	13.6
193.12230	3.8
194.10930	12.3
195.11716	25.3
196.12407	6.5
197.09816	3.3
197.13268	24.4
199.11211	9.4
199.14845	8.7
201.12709	7.1
203.14340	10.7
205.10027	6.8
205.15854	3.5
206.10899	5.1
207.11696	16.1
207.13586	5.7
208.12491	8.2
209.13377	15.0
209.15135	3.9
210.13977	4.8
211.11134	4.9
211.14842	14.9
213.12747	8.7
213.16324	4.3
215.14320	9.0
217.10121	3.3
218.10947	4.0
219.11749	6.8
219.13731	3.8
220.12459	6.6
221.13261	17.4
221.15396	21.1
223.11304	3.7
223.14743	16.9
225.12675	5.5
225.16374	9.8
227.14342	4.9
231.11722	4.2
233.13263	6.7
233.15388	35.9
235.14845	8.7
237.16478	9.7
239.14706	4.2
245.13257	6.2
247.14891	5.5
251.18069	7.0
255.17548	4.3
259.14774	3.4
261.16476	4.4
263.17764	3.7
265.16034	3.4
269.18985	9.3
273.16071	4.2
273.18716	6.4
282.19482	3.5
285.18533	3.4
299.20096	8.4
311.20273	7.0
361.25281	6.9
365.24866	3.5
379.26398	4.3
538.71771	3.1
581.39673	4.7
599.40607	6.4
617.42450	20.3
617.50714	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	618.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09974	0.6
55.01881	0.6
55.05511	3.7
56.96569	24.6
57.03862	0.5
57.07069	0.9
60.08157	1.1
67.05510	3.4
69.03423	1.2
69.07063	2.1
71.04977	0.9
71.60615	0.6
71.95263	1.4
74.97607	0.5
79.05497	4.0
81.03423	0.6
81.07053	5.4
83.04973	1.5
83.08627	5.2
83.12873	0.6
84.96038	18.4
85.06564	1.3
86.09718	1.6
87.04442	0.6
91.05486	4.7
93.07047	6.8
95.04962	2.8
95.08613	4.2
97.06549	2.0
98.97589	15.5
99.97949	1.5
102.97070	3.0
104.10744	15.4
105.07030	8.3
106.91592	0.6
107.08607	5.6
109.06508	1.5
109.10172	3.2
110.97559	3.0
112.99146	1.8
113.09673	1.1
115.05415	0.9
116.98640	6.9
117.07024	2.7
119.08581	7.8
121.06557	1.3
121.10164	4.5
123.08093	2.3
123.11799	0.7
124.99126	4.7
125.09653	1.9
125.99516	0.7
126.97097	0.6
128.06252	1.5
128.98621	4.9
129.07008	1.6
130.07870	0.7
131.00156	2.2
131.08578	4.2
132.09410	1.0
133.10141	4.2
134.99675	1.6
135.08072	1.6
135.11703	1.0
136.99078	0.7
140.00189	0.6
140.98587	2.8
141.07106	0.7
141.33449	0.5
142.07841	1.6
143.00165	12.0
143.08604	3.0
144.00514	1.7
144.09305	0.7
144.98134	4.4
145.06639	0.8
145.10118	6.5
146.99667	2.5
147.08054	1.5
147.11710	2.4
149.01231	3.2
149.09657	1.4
151.07555	1.3
155.00188	3.1
155.08632	1.2
155.10608	0.9
156.09348	1.7
157.01694	0.9
157.10126	4.5
158.99681	3.1
159.08118	1.0
159.11693	3.0
160.08904	1.0
161.01241	11.7
161.09593	0.9
161.13297	0.8
162.01599	1.9
162.99181	4.9
163.11258	0.9
163.99556	0.7
164.98645	0.6
165.09082	1.1
165.12782	0.7
166.01770	1.0
167.08591	1.1
167.10699	2.0
169.10135	2.9
171.11682	2.3
172.94203	0.8
173.01291	3.2
173.09612	1.1
173.13287	1.3
174.01598	0.9
175.11266	1.0
177.00758	0.7
179.02298	1.8
179.08612	0.8
180.94724	1.2
181.10181	1.2
181.12186	2.8
182.10945	0.7
182.99663	5.2
183.11726	2.9
184.00063	1.3
184.02904	1.2
185.01212	0.9
185.13199	1.4
186.13858	0.6
190.95245	0.8
191.14308	0.8
193.10126	0.9
195.11778	1.8
197.13278	3.1
198.95891	3.3
198.97258	0.7
199.14894	1.5
201.00754	7.0
202.01086	2.3
203.02319	0.8
203.14264	1.0
207.11757	1.3
207.13698	0.8
208.12416	0.9
209.13261	2.5
211.14850	1.4
213.12709	0.9
215.14412	1.5
216.98003	0.9
217.03983	0.6
219.01857	1.7
220.02292	0.6
221.13365	1.3
221.15419	4.3
222.15810	0.7
222.95876	1.1
223.14798	1.4
224.02374	1.1
224.97389	0.7
225.16537	0.6
227.14313	1.0
228.96936	0.9
233.13220	1.3
233.15460	2.5
235.14819	1.1
240.96902	2.8
241.97305	0.9
242.98563	1.7
246.95866	1.6
246.98079	1.0
255.17509	2.0
264.96930	8.1
265.97266	2.1
270.19965	0.8
277.19290	0.7
282.97958	12.5
283.00894	1.1
283.98325	4.3
286.05869	0.6
300.99017	6.7
301.99402	2.8
305.99622	1.6
307.00381	0.7
317.17871	13.1
318.18225	17.5
319.19785	0.9
335.18921	3.3
336.19406	4.6
337.20651	1.7
357.01663	0.8
358.20587	1.2
359.20938	1.6
375.03043	0.8
383.25900	1.1
392.22147	1.4
473.19635	0.9
502.26138	1.6
558.21033	1.0
558.28632	1.9
600.22180	2.2
600.41760	0.9
618.23383	100.0
618.40521	2.4
618.43762	2.2
619.23108	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.8
55.01866	8.2
55.05515	53.8
56.66825	5.9
57.07068	14.8
59.05018	8.2
65.03941	9.3
67.05505	46.5
69.03442	11.4
69.07062	21.8
70.94754	7.2
71.04999	12.4
71.60149	9.7
79.05509	48.7
80.58392	6.0
81.07060	69.5
83.04981	26.3
83.08622	69.0
85.06531	16.4
85.10181	8.2
87.04482	7.7
89.06043	18.7
91.05492	80.4
92.05820	7.9
93.07052	84.3
95.04967	27.3
95.08608	44.0
97.06533	29.3
105.07043	100.0
107.08606	87.9
109.06516	20.5
109.10178	39.7
111.08057	10.5
113.09662	12.6
115.05482	7.8
117.07030	33.7
119.08595	94.9
121.06531	16.8
121.10146	69.7
123.08070	28.3
125.05984	14.4
125.09656	30.5
128.06238	15.6
129.07031	21.8
130.07848	11.3
131.08583	50.5
133.08578	11.5
133.10132	71.7
134.10492	8.0
135.08049	19.2
135.11684	16.4
136.03876	6.6
137.09598	14.8
139.11176	15.5
141.07036	13.8
142.07773	28.8
143.08574	47.8
144.09367	8.9
145.06487	8.6
145.10158	86.1
147.08084	23.0
147.11693	29.7
149.09645	28.1
149.13274	8.3
150.32497	6.5
151.07523	11.4
155.08557	23.5
155.10687	17.3
156.09352	23.1
157.10133	75.3
159.08081	18.8
159.11722	43.7
160.08890	17.2
160.84175	7.6
161.09625	13.8
161.13300	9.8
163.11252	14.5
165.09090	7.7
167.08583	15.4
167.10686	37.9
168.09288	7.3
169.10106	29.8
169.12213	6.7
170.10849	14.5
171.08105	7.0
171.11690	42.5
173.09602	14.7
173.13234	15.8
175.11150	9.5
175.14801	11.2
179.08510	11.9
180.09367	9.2
181.10133	20.4
181.12260	27.8
182.10939	12.9
183.11751	38.3
185.13269	18.8
187.11191	9.6
187.14865	14.7
191.14336	17.1
193.10176	19.9
194.10986	16.0
195.11720	26.7
196.12483	19.8
197.13292	40.6
199.14902	10.8
203.14325	8.0
207.11719	14.6
207.13693	10.8
208.12511	9.5
209.13301	26.5
210.14029	10.1
211.14891	22.7
213.12753	9.3
213.16412	11.7
215.14357	20.1
218.16536	10.3
220.12355	10.0
221.13333	15.4
221.15393	52.9
222.15858	11.1
223.14909	16.7
225.14865	19.2
226.27570	7.5
227.14474	12.3
231.17499	7.6
233.13281	13.3
233.15433	40.3
235.14922	8.5
237.16418	18.8
241.15681	6.6
245.13330	10.9
247.14778	8.3
247.17072	9.3
255.17543	38.8
259.14789	7.9
263.17981	7.8
270.19852	8.2
273.18906	8.4
287.20343	9.9
295.20364	8.6
298.19232	9.3
299.20294	10.4
330.75378	6.6
347.32776	6.8
351.26453	6.4
360.24567	9.3
364.24567	8.4
365.24619	11.9
383.25967	13.8
471.32288	6.9
600.41089	18.9
618.36633	31.6
618.43188	23.2
619.24170	10.4
619.38153	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	619.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16020	0.4
53.03942	0.9
55.01864	0.5
56.96567	0.4
57.03411	0.5
69.03437	1.9
70.06576	0.7
71.59826	0.4
72.08132	0.5
79.05489	2.0
81.03408	1.6
81.07043	0.8
82.85268	0.3
85.02899	2.4
87.00830	0.6
89.03922	5.5
91.05487	1.0
93.07065	0.5
95.04946	0.9
97.02885	0.8
103.05441	0.5
105.03371	0.5
105.07009	1.4
107.04955	3.7
107.08585	0.9
109.02898	1.7
115.05445	0.4
115.17912	0.3
117.03384	10.1
119.04906	0.3
119.08604	0.6
121.06544	0.4
121.10106	0.5
123.04433	0.4
124.05208	0.4
127.03934	1.7
128.06221	0.5
129.06973	0.6
131.08495	0.4
133.06494	0.6
133.10115	0.7
135.04427	18.1
135.08044	0.5
137.05968	0.8
137.09746	0.4
145.02852	15.4
146.05992	0.4
147.04425	0.9
149.05980	0.4
149.09634	0.9
151.03932	0.5
153.01834	3.2
159.08023	0.5
161.05978	0.7
163.03908	100.0
164.04237	0.6
167.07040	7.6
167.08401	0.6
175.04018	0.5
175.07556	3.7
177.05469	1.9
181.04984	0.7
191.07129	0.9
191.14294	0.4
193.05057	0.4
193.08661	1.7
199.07576	1.1
201.09094	0.4
203.06909	0.4
203.08595	0.5
205.04973	18.8
207.06511	0.9
209.15381	1.0
213.05440	0.4
215.08707	0.5
217.04971	0.5
218.07269	0.4
226.89638	0.3
227.16524	0.4
231.06508	3.4
233.09671	0.5
249.07576	19.1
255.58028	0.4
261.09106	0.5
278.09387	0.5
281.11716	0.4
289.08521	0.5
293.11789	0.4
295.08151	9.7
295.84927	0.4
301.06644	0.5
321.11166	1.3
341.13968	0.9
353.13791	2.9
391.00070	0.4
457.11319	48.8
458.11774	0.5
530.42267	0.4
618.44409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.03429	0.4
57.07066	0.9
67.05514	4.0
69.07071	2.4
71.04973	0.4
71.08618	0.7
79.05499	1.5
81.07057	3.8
83.04942	0.6
83.08630	1.4
87.04456	1.8
91.05484	1.3
93.07058	1.8
95.08611	3.4
97.10191	0.5
98.20691	0.8
98.98442	0.5
105.07043	0.7
107.08591	1.3
109.10162	1.4
109.48504	0.4
111.08088	0.3
117.07043	0.6
119.08598	0.8
121.10132	1.1
123.08071	0.5
131.08589	0.6
133.10185	1.0
135.11742	1.0
143.05371	0.4
145.10106	0.5
147.11766	0.7
149.09665	0.6
229.60124	0.4
268.21667	0.4
283.15192	12.7
291.19424	0.4
337.27512	0.8
339.17746	5.7
459.32593	1.0
503.77475	0.4
619.41821	100.0
620.42163	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	619.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01850	5.5
55.05515	67.7
57.07071	18.0
59.04990	5.1
63.93019	4.7
67.05506	43.3
68.75775	4.9
69.03427	11.6
69.07056	23.4
70.77856	12.6
71.04995	8.3
71.08637	5.8
72.45228	5.0
79.05495	34.9
81.07063	77.3
83.04951	13.0
83.08624	86.2
85.02877	6.5
85.06566	12.7
87.04462	22.8
91.05486	55.0
93.07050	78.6
94.07354	6.9
95.04954	23.7
95.08616	48.0
97.06535	30.1
99.04471	8.5
105.07038	100.0
107.04959	7.0
107.08597	81.3
108.08908	7.1
109.06517	12.6
109.10155	38.5
111.08078	11.0
113.09641	19.1
117.07032	17.0
119.08582	94.3
120.08875	6.7
121.06487	15.8
121.10159	59.9
123.08078	34.4
123.11703	14.3
124.08420	5.8
125.09620	21.5
128.06264	7.6
129.06990	15.6
130.07764	15.4
131.08592	46.7
132.08954	5.3
133.10136	61.7
134.10480	5.6
135.08086	11.3
135.11682	21.5
137.09605	12.8
139.11183	18.0
141.07011	8.5
142.07796	22.0
143.08580	29.8
144.09312	8.7
145.10135	73.0
146.10419	7.6
147.11710	32.7
149.09615	22.0
151.11131	7.8
155.08530	13.9
155.10677	22.3
156.09323	16.2
157.10127	54.5
158.10660	6.6
159.08162	8.8
159.11720	45.6
161.09666	7.0
161.13251	15.9
163.11215	13.5
165.09105	8.9
165.12738	6.0
167.08511	7.3
167.10672	9.4
169.10136	27.9
170.10858	9.9
171.10294	8.7
171.11696	39.4
172.12234	5.6
173.13260	22.1
175.11156	11.4
175.14836	17.0
179.08682	7.1
179.10648	5.8
179.14310	20.3
181.10123	19.1
181.12215	36.4
182.10971	11.9
183.11653	22.7
185.09515	6.2
185.13194	16.9
186.13712	4.9
187.11179	6.7
187.14798	9.9
189.12769	7.2
189.89391	5.2
191.14336	18.3
193.10205	11.3
194.10867	7.6
195.11659	14.6
196.12318	7.1
197.11676	21.9
197.13197	26.0
198.13780	8.9
199.14832	20.5
201.12679	5.4
201.16313	6.5
207.11855	9.5
207.13835	21.9
209.13229	17.5
209.15178	6.5
211.14774	15.0
213.16362	9.1
221.13226	18.1
221.15385	34.5
222.15781	7.2
223.14850	13.6
225.14647	31.9
233.15324	24.0
234.15999	6.5
235.14798	11.1
235.16930	8.6
247.16992	5.7
249.16531	7.6
251.14430	5.6
260.15375	6.9
261.16153	6.9
263.17886	8.6
263.58313	5.7
283.20520	7.4
285.18619	5.8
287.20078	7.6
289.18176	5.4
367.26010	7.6
433.30978	5.9
529.34924	43.3
619.34888	11.8
619.44745	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	619.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01850	5.5
55.05515	67.7
57.07071	18.0
59.04990	5.1
63.93019	4.7
67.05506	43.3
68.75775	4.9
69.03427	11.6
69.07056	23.4
70.77856	12.6
71.04995	8.3
71.08637	5.8
72.45228	5.0
79.05495	34.9
81.07063	77.3
83.04951	13.0
83.08624	86.2
85.02877	6.5
85.06566	12.7
87.04462	22.8
91.05486	55.0
93.07050	78.6
94.07354	6.9
95.04954	23.7
95.08616	48.0
97.06535	30.1
99.04471	8.5
105.07038	100.0
107.04959	7.0
107.08597	81.3
108.08908	7.1
109.06517	12.6
109.10155	38.5
111.08078	11.0
113.09641	19.1
117.07032	17.0
119.08582	94.3
120.08875	6.7
121.06487	15.8
121.10159	59.9
123.08078	34.4
123.11703	14.3
124.08420	5.8
125.09620	21.5
128.06264	7.6
129.06990	15.6
130.07764	15.4
131.08592	46.7
132.08954	5.3
133.10136	61.7
134.10480	5.6
135.08086	11.3
135.11682	21.5
137.09605	12.8
139.11183	18.0
141.07011	8.5
142.07796	22.0
143.08580	29.8
144.09312	8.7
145.10135	73.0
146.10419	7.6
147.11710	32.7
149.09615	22.0
151.11131	7.8
155.08530	13.9
155.10677	22.3
156.09323	16.2
157.10127	54.5
158.10660	6.6
159.08162	8.8
159.11720	45.6
161.09666	7.0
161.13251	15.9
163.11215	13.5
165.09105	8.9
165.12738	6.0
167.08511	7.3
167.10672	9.4
169.10136	27.9
170.10858	9.9
171.10294	8.7
171.11696	39.4
172.12234	5.6
173.13260	22.1
175.11156	11.4
175.14836	17.0
179.08682	7.1
179.10648	5.8
179.14310	20.3
181.10123	19.1
181.12215	36.4
182.10971	11.9
183.11653	22.7
185.09515	6.2
185.13194	16.9
186.13712	4.9
187.11179	6.7
187.14798	9.9
189.12769	7.2
189.89391	5.2
191.14336	18.3
193.10205	11.3
194.10867	7.6
195.11659	14.6
196.12318	7.1
197.11676	21.9
197.13197	26.0
198.13780	8.9
199.14832	20.5
201.12679	5.4
201.16313	6.5
207.11855	9.5
207.13835	21.9
209.13229	17.5
209.15178	6.5
211.14774	15.0
213.16362	9.1
221.13226	18.1
221.15385	34.5
222.15781	7.2
223.14850	13.6
225.14647	31.9
233.15324	24.0
234.15999	6.5
235.14798	11.1
235.16930	8.6
247.16992	5.7
249.16531	7.6
251.14430	5.6
260.15375	6.9
261.16153	6.9
263.17886	8.6
263.58313	5.7
283.20520	7.4
285.18619	5.8
287.20078	7.6
289.18176	5.4
367.26010	7.6
433.30978	5.9
529.34924	43.3
619.34888	11.8
619.44745	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01876	5.3
55.05255	3.5
55.05515	53.3
56.05882	2.0
57.03431	4.2
61.02939	2.0
67.05507	24.1
69.03423	10.7
69.07074	5.5
69.88533	9.0
74.63363	2.0
79.05499	22.5
81.07050	15.2
83.05015	4.5
83.08627	40.0
91.05481	6.0
93.07050	12.1
97.02872	1.9
97.10177	86.9
98.20737	4.1
105.07051	3.3
107.08610	21.3
109.06511	2.7
109.10162	3.4
111.08122	3.3
117.07029	4.6
125.09638	80.3
135.08069	7.9
140.00682	2.0
143.10681	5.0
153.09100	24.5
171.10173	7.8
184.39912	2.2
189.11226	49.8
227.12790	100.0
245.13809	8.0
258.83688	2.5
379.21353	9.6
397.17218	4.5
397.22217	61.9
397.27472	3.5
415.23318	74.6
435.65503	2.2
549.30688	13.8
556.19727	2.5
567.31647	27.2
585.32672	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01075	0.8
84.87719	0.6
95.01080	1.9
96.01869	1.5
98.21518	1.0
104.77111	0.6
112.01331	0.9
113.02110	2.6
116.75962	0.6
121.02930	0.8
153.80684	0.6
157.04745	1.1
157.95259	0.7
167.03149	0.8
177.05481	1.0
184.05013	0.6
185.04185	5.8
201.03676	1.3
203.05211	1.3
215.06796	1.3
217.04712	1.4
232.07085	11.8
233.07814	3.6
266.36819	0.6
284.39514	0.6
298.93546	0.6
381.11978	0.7
382.24924	0.5
395.13034	1.4
407.13318	0.9
411.12451	2.7
591.20422	0.7
621.21521	100.0
622.21826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70317	0.3
55.05522	0.3
56.96569	0.4
67.05526	0.4
69.84082	1.3
69.84492	0.6
70.06621	1.7
72.08163	0.5
77.13532	0.3
79.05511	0.4
81.03452	0.6
81.07088	0.3
83.01109	0.7
84.08155	0.5
85.02904	0.9
89.03869	0.3
91.05487	1.2
93.03402	0.5
95.01088	1.8
97.02897	0.6
98.20712	0.4
103.05496	0.6
103.93011	0.4
105.07058	0.6
106.04193	1.3
107.04993	0.5
109.02893	0.6
111.04453	0.3
112.01376	0.6
113.02122	1.8
117.03429	0.4
119.04948	0.5
121.02885	1.4
121.06536	1.5
127.03916	0.5
129.10310	0.4
131.04991	0.8
133.06540	0.4
137.05989	0.7
139.03940	0.4
145.02853	1.5
147.04434	0.5
149.06020	2.0
157.04802	0.5
160.07663	0.4
161.05928	0.8
163.07552	0.5
167.07057	0.4
174.08006	0.4
175.04030	0.4
177.05473	3.6
181.08623	0.6
185.04224	2.7
201.03729	5.4
202.06122	0.8
203.05258	4.6
207.06592	0.6
209.08011	0.5
215.06822	0.5
217.04784	2.3
232.07069	20.8
233.07840	7.0
273.09698	0.3
283.06085	1.0
285.75949	0.4
299.05603	0.3
313.06161	0.6
353.50256	0.4
411.14139	9.8
441.15231	1.2
446.30447	0.3
459.09674	0.6
459.16281	0.4
477.14706	0.5
621.21600	100.0
622.21777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45500	0.3
67.32228	0.4
70.06596	0.5
71.60118	0.6
72.08140	0.3
81.03436	0.4
84.04500	0.4
84.08118	0.5
85.02905	0.5
91.05477	0.5
97.02914	0.7
99.61600	0.3
103.44856	0.3
105.07049	0.5
109.10191	0.3
119.05024	0.4
121.02915	0.8
131.31604	0.3
137.05945	0.4
149.07506	0.4
153.82066	0.4
167.07213	0.4
177.05486	0.7
207.06650	0.5
256.47882	0.4
272.29773	0.4
303.87604	0.3
367.49265	0.4
621.21570	100.0
622.21985	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	621.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96350	0.3
69.23203	1.9
69.23609	0.7
69.97461	0.2
70.06583	0.8
72.08132	0.4
72.40600	0.3
72.41018	0.2
72.72644	0.3
79.00494	0.3
81.07048	0.3
83.01099	0.8
83.04954	0.3
84.04524	0.5
84.08128	0.5
85.02869	0.3
86.09653	0.2
91.05493	0.6
93.07053	0.5
95.01101	2.6
96.01878	1.1
97.02721	0.3
98.97546	0.3
105.07043	0.7
109.02910	0.3
111.04350	0.2
112.01336	0.7
113.02122	3.1
119.04962	0.3
121.02860	0.7
121.10200	0.3
126.02891	0.4
127.03922	0.5
133.06497	0.7
135.04393	0.3
135.08041	1.6
138.84105	0.2
139.03793	0.3
141.05269	0.6
144.30096	0.2
145.02864	0.9
147.04431	0.4
157.04716	0.5
161.05969	1.0
167.03197	0.6
175.03952	0.2
177.05461	1.3
184.05064	0.3
185.04230	5.1
185.05736	0.6
190.06065	0.3
191.14302	1.3
201.03708	1.1
201.95604	0.3
203.05299	1.1
205.04803	1.1
207.06442	0.3
215.06824	1.6
217.04701	2.2
218.05496	0.5
219.06306	0.9
231.06366	0.4
232.07063	14.1
233.07840	3.0
235.03699	0.3
249.07343	0.6
251.09068	0.5
266.89792	0.3
336.46927	0.3
346.05493	0.3
381.11633	0.9
395.13177	2.4
407.13223	1.1
411.12601	2.0
459.16132	0.9
537.81256	0.3
573.19281	0.4
591.20703	0.8
620.41748	0.9
621.21521	100.0
622.21808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
62.10302	0.2
69.23690	1.9
69.24096	0.4
90.59795	0.2
93.07017	0.2
122.37182	0.2
209.10751	0.2
221.10789	0.2
223.12370	0.3
235.12354	0.3
246.58604	0.2
324.14972	0.3
336.14600	0.2
340.14383	0.2
366.15881	0.2
373.14545	0.4
374.15765	0.5
375.16031	1.1
376.17459	0.3
387.16183	0.6
388.17032	1.1
389.17621	3.0
390.18506	1.2
391.19223	0.8
401.13345	0.3
401.18204	1.1
402.14001	0.3
402.18839	1.3
403.19485	4.3
404.20230	2.3
405.20883	2.6
413.17514	0.3
415.14880	0.4
415.19360	0.6
416.16342	1.1
416.20438	0.8
417.17099	3.2
417.21072	2.3
418.17871	0.9
418.21921	0.7
419.22424	7.0
420.23050	0.8
429.16940	0.7
429.21796	0.3
430.17221	1.3
431.18091	7.0
431.23367	0.8
432.19122	2.9
433.20242	2.7
443.18845	0.7
444.19528	0.7
445.20117	6.2
446.20963	6.6
447.21786	9.4
448.23050	0.3
457.20432	0.5
459.17163	0.8
459.21829	2.4
460.18356	0.3
460.22958	0.7
461.19534	1.5
462.20386	0.3
463.21408	0.6
473.19000	0.8
473.23660	1.3
474.20395	5.7
475.21298	7.5
477.22781	0.7
478.23917	0.3
487.21347	3.0
488.22150	0.7
489.22464	0.2
490.23798	0.5
491.21014	1.3
492.25146	0.3
501.22934	1.8
502.24530	0.3
503.20572	0.4
505.22647	0.7
505.26102	1.1
506.22968	0.4
518.23120	0.5
519.20526	0.7
529.22223	0.5
533.25513	13.9
534.26062	0.5
546.22791	0.5
561.24963	20.1
562.25409	1.2
565.27832	0.4
589.24512	1.4
593.27649	3.7
603.24249	0.2
621.27063	100.0
622.27393	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	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04120	0.5
53.94927	0.6
60.46223	0.5
71.05350	1.0
74.85646	0.6
85.29016	0.5
88.77248	0.5
91.05347	0.5
109.10011	0.6
136.29074	0.5
209.10672	0.6
214.21768	0.4
222.11212	0.5
243.70293	0.5
374.15384	0.9
375.16000	1.9
386.15692	0.6
387.15997	1.5
388.16858	1.7
389.17697	5.5
390.18237	1.7
391.19092	0.6
401.17578	1.8
402.14038	0.9
402.18463	1.8
403.19345	7.8
404.19968	3.6
405.20966	2.4
415.19061	1.7
416.16046	1.7
416.20459	1.5
417.16913	4.7
417.20868	4.5
418.21906	1.1
419.22452	11.6
427.92426	0.5
429.16895	1.7
430.17801	1.9
431.17969	10.4
431.23413	1.2
432.18918	3.7
433.20007	2.3
443.18478	0.9
444.19342	1.3
445.20123	8.8
446.20956	6.8
447.21872	15.3
457.20667	0.7
458.21262	0.5
459.17151	1.7
459.21881	3.1
460.18683	1.5
461.19632	1.1
473.19418	1.6
473.24353	0.8
474.20468	13.4
475.21280	18.1
486.20331	0.7
487.21341	5.7
488.22211	1.4
489.22986	0.6
491.20343	1.1
501.22760	3.6
505.26535	0.9
518.22760	0.9
529.22705	0.9
531.36713	2.9
533.25537	15.3
546.22632	0.9
561.24994	90.3
562.25403	3.2
565.28271	0.7
589.24982	2.4
593.27661	4.5
621.27112	100.0
622.27148	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.18509	0.5
54.50492	0.5
55.87739	0.5
59.50044	0.5
66.32108	0.5
67.05505	1.7
69.07085	0.6
70.15456	0.6
70.15792	2.3
78.50352	0.5
79.05489	0.9
81.07056	1.4
86.64114	0.6
93.07059	1.1
95.04958	0.4
95.08598	0.9
98.20776	0.5
109.10189	1.0
119.08582	0.7
143.50206	0.5
145.10159	0.7
171.71057	0.5
204.17966	0.6
246.19250	0.6
374.15494	0.8
375.16290	1.0
387.16379	0.8
389.17780	2.6
390.18854	0.9
391.19388	0.8
393.92572	0.6
401.18039	1.7
402.18741	1.0
403.19522	3.2
404.20227	2.4
405.20847	2.1
415.19321	1.2
416.20459	0.9
417.16779	1.7
417.21057	2.2
418.21802	1.3
419.22275	4.6
420.23340	0.8
429.21255	0.9
431.17935	3.2
431.23459	1.1
433.20218	0.7
443.18716	0.7
445.20758	3.7
446.21063	2.5
447.21790	6.5
459.18387	3.3
460.18433	1.1
461.19751	1.8
473.19128	1.0
474.20447	8.1
475.21277	13.1
475.27490	1.0
487.21487	4.0
488.21924	1.0
501.23026	3.1
502.23825	0.7
505.25949	1.6
517.11304	0.6
519.20233	0.9
533.25677	6.9
546.22797	0.7
561.25000	30.9
565.28381	0.6
589.24817	1.3
609.38452	0.6
621.27130	100.0
621.41565	3.6
622.27429	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.24244	0.2
54.98791	0.2
55.05504	0.3
60.04550	0.2
67.05496	0.8
69.07072	0.5
70.86237	0.3
71.92829	0.2
79.05484	0.5
81.07063	0.6
83.04992	0.3
89.39821	0.2
91.05516	0.6
93.07050	0.5
95.04973	0.5
95.08609	0.4
100.99854	0.2
105.07033	0.6
107.08618	0.4
117.07043	0.3
121.10123	0.5
131.08618	0.3
135.11697	0.3
137.55328	0.3
144.08206	0.3
145.10158	0.3
161.66389	0.3
165.74255	0.3
168.57719	0.2
209.10851	0.3
265.52881	0.3
269.53757	0.2
273.13477	0.3
301.44077	0.3
355.15640	0.5
373.14871	0.3
374.15350	0.6
375.16251	1.0
376.17413	0.4
387.16165	1.0
388.16925	1.1
389.17761	2.8
390.18796	1.0
391.19333	0.8
401.17862	1.2
402.14206	0.5
402.18646	1.5
403.15363	0.7
403.19537	4.6
404.20169	2.4
405.20847	2.8
415.19730	0.6
416.15405	1.2
416.20490	0.8
417.17108	3.0
417.21017	2.7
418.17297	0.6
418.21851	0.7
419.22437	7.8
420.23148	0.7
429.16922	0.5
430.18060	1.0
430.22736	0.3
431.18198	7.4
432.19138	2.6
433.20087	2.4
443.18884	0.7
444.19803	0.4
445.20093	5.7
446.20981	7.2
447.21793	9.2
448.22528	0.7
458.20999	0.3
459.22922	2.7
460.18866	0.9
461.19458	1.9
463.21524	0.7
473.19547	1.0
473.24088	0.9
474.20471	5.7
475.21255	7.4
478.23773	0.5
487.21457	3.0
488.22208	1.0
491.20987	1.1
501.23074	1.8
502.23972	0.3
505.25528	1.1
518.23584	0.6
519.20502	1.1
533.25507	15.0
546.23236	0.5
561.24994	21.2
562.25073	0.5
565.28223	0.5
589.24432	1.0
593.27594	3.9
621.27094	100.0
622.27490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01866	9.7
55.05516	12.4
57.03439	20.6
57.07089	23.0
65.03943	5.1
67.05514	46.6
69.07073	12.6
69.26013	18.5
71.05006	3.9
71.08638	12.4
79.05495	24.8
81.07056	35.1
83.04972	2.4
83.08614	8.9
85.06536	11.3
85.10179	8.4
91.05472	20.0
93.07057	24.2
95.04971	54.8
95.08607	25.1
97.06496	5.5
97.10171	4.0
105.07020	20.8
107.04951	12.0
107.08611	13.2
109.06525	66.2
109.10140	8.3
113.06012	28.6
117.07021	10.3
119.08561	11.7
121.06492	4.6
121.10112	5.2
123.08067	4.0
123.11702	5.1
128.06235	3.1
129.07028	3.3
131.08572	17.8
133.10112	6.6
135.08057	40.5
135.11668	6.9
141.06969	3.1
143.08536	7.1
145.10100	10.4
147.08022	4.4
147.11589	2.5
149.09621	5.2
157.10153	7.8
159.08051	3.1
159.11725	2.5
161.09657	6.7
163.11192	3.3
167.99500	2.3
171.11714	3.9
177.12791	3.8
199.14842	3.1
203.08664	2.9
217.15889	13.1
239.23694	2.5
245.18988	3.4
273.18552	36.2
280.20877	2.3
291.19553	100.0
309.20316	2.7
313.23886	4.5
313.27393	44.4
347.22137	6.3
365.23181	11.2
585.44727	6.5
603.46295	28.7
621.26910	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	622.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.05507	2.0
57.03428	2.5
65.03944	2.5
66.18111	1.4
67.05507	3.5
68.99806	2.8
69.03418	4.1
70.06571	2.6
70.37207	6.0
71.04981	1.8
73.02916	3.6
79.05495	3.5
81.03412	6.8
81.07060	2.8
83.04985	2.1
84.08122	1.4
85.02872	7.4
86.09727	1.8
91.05489	5.7
93.03400	2.0
93.07046	4.6
95.04962	2.7
95.08628	3.2
97.02886	3.7
97.06507	1.4
98.21407	1.5
103.05452	2.0
103.91881	1.4
105.07042	4.0
107.04951	3.1
107.08618	3.0
109.02858	7.2
111.04478	3.3
115.05478	1.8
117.07040	5.9
118.06556	15.8
119.04965	10.6
119.08624	1.4
121.02872	62.2
121.06467	2.2
121.10175	1.5
125.49374	1.4
127.03893	5.5
130.06535	97.4
131.04922	1.5
132.08003	1.6
133.06465	2.3
137.05983	1.6
138.05476	2.2
141.01807	1.4
143.07300	5.5
144.08092	54.3
145.02881	5.6
145.06488	1.9
147.04407	5.8
149.05963	1.8
154.06508	2.7
160.07581	3.9
161.02396	1.8
161.05962	2.0
163.03888	3.6
165.01869	2.4
172.07573	40.8
173.06111	1.7
175.03868	4.2
177.01826	2.2
177.05505	6.0
187.28067	1.5
189.01833	11.2
190.08636	66.4
191.03386	18.4
191.07089	1.5
193.04915	2.6
195.02875	3.4
199.03996	1.9
201.01848	3.3
203.01773	1.9
203.03354	10.7
205.04970	2.0
207.02879	6.0
207.06554	4.5
209.04393	3.6
209.08009	1.6
213.05429	2.0
217.04965	5.5
219.02869	5.7
221.04489	1.6
222.09282	1.5
229.05013	4.3
231.02977	1.7
241.04915	2.1
244.07530	1.7
245.04347	2.4
250.08812	1.5
257.04468	2.3
262.08624	1.6
267.02792	1.5
267.06723	2.5
267.10696	1.6
268.07379	2.1
269.04480	2.8
271.06012	1.7
272.06961	2.1
279.06586	3.1
280.07321	1.8
281.08112	4.0
283.06042	19.1
286.08606	1.5
288.06796	1.7
291.06485	2.8
293.08148	8.0
294.05334	15.9
294.08478	1.7
295.06024	33.2
296.06866	4.1
297.03537	1.3
297.07620	5.5
298.08704	1.6
300.06860	3.2
305.08167	2.8
307.06018	80.1
307.09308	3.1
308.06812	13.6
309.07590	70.9
313.07150	11.3
318.07809	2.7
319.06177	8.8
319.09457	2.3
320.06839	5.6
321.07602	30.5
321.11163	3.2
322.08383	4.0
323.09082	5.5
325.07086	27.1
331.09305	2.0
333.07452	7.1
334.08545	2.0
334.78757	1.4
335.05573	2.6
335.09143	24.6
337.07065	100.0
338.07523	3.1
339.08630	9.5
340.09622	2.2
343.08240	2.0
345.07492	2.4
346.08316	2.2
347.09189	17.0
349.07056	15.4
349.10855	3.5
351.08716	8.2
355.08148	47.0
357.07590	2.5
359.09149	3.3
361.06985	7.5
363.08728	16.1
365.10406	2.6
367.08160	38.8
373.06973	3.5
375.08728	13.0
377.10220	3.3
379.08090	21.3
381.09592	3.8
385.09439	29.5
387.08420	5.8
391.08118	35.3
395.11206	2.3
397.09128	2.5
403.08167	25.7
405.09641	6.2
409.09225	55.6
415.10419	19.3
421.09222	19.1
422.10034	2.9
423.10876	6.4
424.12009	12.1
433.09015	13.1
434.10263	2.0
436.11780	18.0
439.10300	34.4
451.10233	24.1
457.11298	20.8
462.13403	2.4
466.12872	4.7
469.05255	2.5
469.11411	34.3
472.14148	2.3
478.12354	4.0
484.13797	3.6
487.05777	2.6
487.12357	31.1
490.12747	4.3
502.15106	7.7
508.14053	5.4
514.12726	2.0
520.13770	5.9
526.15045	14.3
532.13947	4.2
538.15033	7.5
550.14825	5.6
556.15802	6.0
586.17145	6.7
604.17932	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.05507	2.0
57.03428	2.5
65.03944	2.5
66.18111	1.4
67.05507	3.5
68.99806	2.8
69.03418	4.1
70.06571	2.6
70.37207	6.0
71.04981	1.8
73.02916	3.6
79.05495	3.5
81.03412	6.8
81.07060	2.8
83.04985	2.1
84.08122	1.4
85.02872	7.4
86.09727	1.8
91.05489	5.7
93.03400	2.0
93.07046	4.6
95.04962	2.7
95.08628	3.2
97.02886	3.7
97.06507	1.4
98.21407	1.5
103.05452	2.0
103.91881	1.4
105.07042	4.0
107.04951	3.1
107.08618	3.0
109.02858	7.2
111.04478	3.3
115.05478	1.8
117.07040	5.9
118.06556	15.8
119.04965	10.6
119.08624	1.4
121.02872	62.2
121.06467	2.2
121.10175	1.5
125.49374	1.4
127.03893	5.5
130.06535	97.4
131.04922	1.5
132.08003	1.6
133.06465	2.3
137.05983	1.6
138.05476	2.2
141.01807	1.4
143.07300	5.5
144.08092	54.3
145.02881	5.6
145.06488	1.9
147.04407	5.8
149.05963	1.8
154.06508	2.7
160.07581	3.9
161.02396	1.8
161.05962	2.0
163.03888	3.6
165.01869	2.4
172.07573	40.8
173.06111	1.7
175.03868	4.2
177.01826	2.2
177.05505	6.0
187.28067	1.5
189.01833	11.2
190.08636	66.4
191.03386	18.4
191.07089	1.5
193.04915	2.6
195.02875	3.4
199.03996	1.9
201.01848	3.3
203.01773	1.9
203.03354	10.7
205.04970	2.0
207.02879	6.0
207.06554	4.5
209.04393	3.6
209.08009	1.6
213.05429	2.0
217.04965	5.5
219.02869	5.7
221.04489	1.6
222.09282	1.5
229.05013	4.3
231.02977	1.7
241.04915	2.1
244.07530	1.7
245.04347	2.4
250.08812	1.5
257.04468	2.3
262.08624	1.6
267.02792	1.5
267.06723	2.5
267.10696	1.6
268.07379	2.1
269.04480	2.8
271.06012	1.7
272.06961	2.1
279.06586	3.1
280.07321	1.8
281.08112	4.0
283.06042	19.1
286.08606	1.5
288.06796	1.7
291.06485	2.8
293.08148	8.0
294.05334	15.9
294.08478	1.7
295.06024	33.2
296.06866	4.1
297.03537	1.3
297.07620	5.5
298.08704	1.6
300.06860	3.2
305.08167	2.8
307.06018	80.1
307.09308	3.1
308.06812	13.6
309.07590	70.9
313.07150	11.3
318.07809	2.7
319.06177	8.8
319.09457	2.3
320.06839	5.6
321.07602	30.5
321.11163	3.2
322.08383	4.0
323.09082	5.5
325.07086	27.1
331.09305	2.0
333.07452	7.1
334.08545	2.0
334.78757	1.4
335.05573	2.6
335.09143	24.6
337.07065	100.0
338.07523	3.1
339.08630	9.5
340.09622	2.2
343.08240	2.0
345.07492	2.4
346.08316	2.2
347.09189	17.0
349.07056	15.4
349.10855	3.5
351.08716	8.2
355.08148	47.0
357.07590	2.5
359.09149	3.3
361.06985	7.5
363.08728	16.1
365.10406	2.6
367.08160	38.8
373.06973	3.5
375.08728	13.0
377.10220	3.3
379.08090	21.3
381.09592	3.8
385.09439	29.5
387.08420	5.8
391.08118	35.3
395.11206	2.3
397.09128	2.5
403.08167	25.7
405.09641	6.2
409.09225	55.6
415.10419	19.3
421.09222	19.1
422.10034	2.9
423.10876	6.4
424.12009	12.1
433.09015	13.1
434.10263	2.0
436.11780	18.0
439.10300	34.4
451.10233	24.1
457.11298	20.8
462.13403	2.4
466.12872	4.7
469.05255	2.5
469.11411	34.3
472.14148	2.3
478.12354	4.0
484.13797	3.6
487.05777	2.6
487.12357	31.1
490.12747	4.3
502.15106	7.7
508.14053	5.4
514.12726	2.0
520.13770	5.9
526.15045	14.3
532.13947	4.2
538.15033	7.5
550.14825	5.6
556.15802	6.0
586.17145	6.7
604.17932	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.63223	0.6
67.05491	0.8
69.03432	0.9
69.67487	3.5
70.06597	1.7
79.05487	0.8
81.03435	0.6
84.08142	1.4
85.02901	1.7
86.09705	0.9
90.47376	0.6
90.83288	0.6
91.05497	1.9
97.02889	1.4
98.97612	0.9
105.07016	0.9
106.02381	0.6
107.08636	0.7
109.02880	0.9
109.06542	0.8
110.07123	0.7
117.03458	0.7
120.08076	1.2
121.02943	0.6
127.03914	1.4
135.44945	0.6
137.05978	1.2
138.90572	0.6
145.02879	1.4
147.04460	1.6
163.03918	0.7
167.06963	1.0
175.03926	0.9
177.05511	2.0
181.04979	1.5
207.06491	1.2
227.02400	0.7
245.03175	0.6
373.93497	0.8
424.17606	0.7
461.15298	1.1
479.15344	1.5
623.21002	100.0
624.21344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01860	3.2
55.05508	13.1
57.03426	3.1
57.07064	1.7
59.55051	1.1
60.51727	1.1
67.05504	21.5
69.03420	2.4
69.07063	11.1
69.34754	9.8
78.72676	0.9
79.05490	20.7
81.03411	13.2
81.07056	17.7
83.04982	3.0
83.08620	7.0
85.06567	0.9
91.05480	16.8
93.07047	14.5
95.04954	4.8
95.08604	13.7
97.06540	1.7
97.10157	6.4
98.21529	2.3
105.07029	15.1
107.04961	3.9
107.08602	9.3
108.08037	1.1
109.06513	2.6
109.10151	5.1
115.05442	2.5
117.07038	8.8
119.08566	12.2
120.35419	1.0
121.10123	4.6
123.08038	1.5
123.11721	3.2
125.09638	8.0
128.06238	2.9
129.07013	9.0
131.04893	1.5
131.08569	9.3
133.06549	1.9
133.10106	5.2
135.08044	3.1
135.11713	2.5
141.06972	3.9
142.07779	1.2
143.08572	7.7
145.06477	1.9
145.10126	7.6
147.08032	2.3
147.11662	5.2
149.09627	2.4
153.06985	1.1
155.08540	7.1
157.10123	7.1
159.08112	1.7
159.11699	7.1
160.05263	1.8
161.06047	2.2
161.09570	1.5
161.13258	2.5
163.11153	1.2
167.08556	3.7
169.10152	7.9
171.08116	1.6
171.11703	6.7
173.05980	3.1
173.13202	2.6
179.08521	1.5
181.10136	3.6
183.11717	4.8
185.09641	1.2
185.13261	2.6
189.09424	1.1
189.11256	3.5
193.10185	1.6
195.11667	4.5
197.09633	1.4
197.13286	4.5
199.14789	2.1
207.11618	1.4
209.13266	4.0
211.14821	1.3
213.16365	2.0
219.11699	1.3
221.13235	1.7
223.14888	2.6
225.16460	1.4
227.12781	3.9
237.16222	2.3
239.18001	2.5
257.18970	1.8
259.20590	1.5
271.13153	1.9
271.16928	2.2
273.18579	2.2
275.20123	3.4
289.14258	1.8
291.19626	4.3
309.21988	1.4
363.26672	1.4
377.17642	3.8
378.18610	1.4
379.29904	4.0
386.15750	1.5
387.16443	1.2
389.17938	1.7
390.18460	1.7
391.19226	3.2
392.20071	3.5
393.20633	2.2
399.16165	1.5
400.16766	1.9
401.17670	5.4
405.16815	1.7
406.21796	1.4
407.22250	4.3
413.17786	3.1
414.18716	2.4
415.19611	6.5
416.20422	3.1
417.16675	1.6
419.18491	2.3
419.23102	1.4
421.20285	2.7
427.19153	3.1
428.19928	3.5
429.21277	2.2
430.21585	4.4
431.18521	3.0
435.21652	1.9
441.16788	2.4
443.22266	4.5
444.19366	3.9
445.20331	1.9
446.21655	2.6
447.18079	4.9
457.20984	1.9
458.21109	2.7
461.19699	4.6
462.20367	2.6
463.20987	2.7
471.22327	8.4
472.18655	3.1
473.19522	4.6
474.20526	3.6
475.21417	3.4
483.22409	1.6
485.19952	2.6
486.20407	4.7
489.23917	6.8
490.19202	6.0
491.20740	1.4
499.21347	19.5
500.18430	3.6
501.23605	7.1
502.19772	2.1
503.20767	6.4
513.19403	2.6
514.19855	1.8
517.22400	13.6
518.23096	2.0
525.35846	1.9
527.20837	3.9
529.22278	12.4
531.20349	1.8
531.38464	2.6
535.23596	3.3
536.24719	1.3
545.21832	58.7
549.24927	1.3
549.39789	2.2
550.25659	3.1
553.35413	1.6
563.22662	2.2
564.23871	2.7
573.21478	16.4
595.25391	2.3
605.23901	100.0
605.41541	6.2
606.23877	3.1
623.24994	88.1
623.42908	38.8
624.25201	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	623.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15480	0.4
120.08081	0.5
125.60082	0.4
132.08084	0.6
142.68919	0.4
146.09772	0.4
195.09181	0.6
198.11591	0.5
209.10765	0.8
210.11488	0.7
221.10709	0.5
223.12161	0.9
224.13039	1.2
225.13840	0.8
229.71930	0.5
235.12427	0.5
237.10234	0.7
237.13916	0.7
239.11717	0.5
249.13959	0.7
250.10864	0.6
266.60309	0.4
275.15341	0.6
311.14008	0.6
311.29321	0.7
314.12726	0.8
326.12482	0.5
375.16360	0.7
391.19446	0.9
392.20062	0.6
396.17426	0.6
402.18570	0.5
403.15216	1.0
404.15961	0.9
405.16550	0.9
405.21335	0.7
415.19537	0.6
417.17001	0.6
418.17923	1.8
419.18301	2.0
420.19077	0.6
421.19962	0.6
421.24768	0.5
430.17471	0.7
431.18744	0.9
432.19772	1.0
433.16562	1.9
435.21747	1.6
444.19977	0.4
445.16031	0.5
446.16940	1.0
447.17148	3.8
448.17825	3.5
449.18814	0.9
449.24243	1.0
459.21967	1.4
460.18518	0.7
461.19159	3.5
462.20032	3.6
463.21167	4.4
475.21121	3.1
476.21768	7.9
477.22644	6.6
478.23386	2.1
487.25177	0.9
488.21875	0.6
489.23114	1.3
490.23605	0.6
491.24503	0.9
503.24585	0.5
504.21042	1.2
520.25354	0.6
521.26111	0.8
522.22888	0.7
531.24274	0.6
532.24762	0.6
533.21686	0.8
534.22681	0.6
535.22717	3.8
536.23584	4.8
537.25342	1.2
545.25452	1.4
546.25562	0.6
547.27020	2.5
548.24213	1.6
549.25067	4.0
550.25787	3.5
559.23206	0.7
562.23999	0.5
563.26379	13.0
564.26923	5.2
567.28790	0.6
579.29633	1.4
580.26929	0.7
591.25897	8.8
591.34845	0.7
594.24280	3.9
595.29156	3.6
605.27521	3.2
606.27893	0.9
608.26019	2.5
623.28522	100.0
624.28754	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
78.73264	0.8
118.71015	0.8
127.13551	0.9
194.51447	0.9
221.10730	0.9
387.71304	0.9
388.18222	0.9
390.18863	1.7
391.19128	3.9
392.19998	3.8
393.20709	2.0
399.16241	1.8
400.17740	1.0
401.17648	1.2
402.19516	1.0
404.20734	1.3
405.20877	5.3
406.21582	3.0
407.22348	12.7
413.17838	2.7
414.18582	2.6
415.19287	5.4
419.23093	2.3
420.23257	1.9
421.23947	11.3
422.24509	3.3
427.19357	2.4
428.20126	3.2
429.20911	11.4
430.21686	3.0
433.24716	1.6
442.21841	1.7
443.22546	8.4
444.23517	5.3
445.20239	1.6
453.55826	1.0
455.18759	1.2
456.18924	1.2
457.24490	5.2
458.25204	7.1
459.21866	7.4
460.23004	1.7
461.18884	4.2
462.20697	2.5
463.21375	1.3
470.21213	2.4
471.22098	1.9
472.22610	8.6
473.23987	1.7
475.21307	6.4
476.21957	5.4
477.22620	2.7
485.23627	14.6
486.24097	3.4
488.21841	1.9
489.22934	3.3
499.21005	5.6
500.22455	2.3
502.23581	1.5
503.24573	8.9
504.25229	1.1
507.24414	1.1
513.22968	3.0
514.23938	1.6
517.26196	7.7
518.22833	1.1
519.23792	1.1
521.25293	1.0
529.25995	2.5
531.24084	1.6
535.27106	6.0
545.25531	90.8
546.26062	2.7
563.26678	1.7
564.27478	1.7
573.16095	1.4
573.24933	21.1
605.27594	100.0
606.27679	2.8
623.28693	94.5
624.29077	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73960	0.5
63.30334	0.5
67.05505	1.2
68.40102	0.6
69.07066	0.8
69.93085	1.3
69.93495	1.6
79.05482	0.8
81.07050	0.8
83.08586	0.6
91.05510	0.8
93.07074	0.9
95.08622	1.1
98.21390	0.7
105.07055	1.0
107.08633	0.9
112.92209	0.4
119.21951	0.4
128.36742	0.5
131.82852	0.5
176.91736	0.5
196.09911	0.5
206.15784	0.5
224.65836	0.6
225.79573	0.5
260.21451	0.5
361.15219	0.6
375.16498	0.5
390.18637	1.4
391.19482	1.3
402.18805	0.6
405.20978	4.0
415.19543	0.9
416.20087	0.7
419.18280	1.2
419.23135	0.9
420.23404	1.4
429.20813	2.4
430.21365	0.9
431.22971	0.9
433.19806	3.1
435.22168	0.8
443.22412	1.1
444.23480	1.3
446.17398	1.0
447.17908	7.9
448.22845	3.5
449.23462	1.8
452.22534	0.6
458.24768	0.7
459.21594	3.9
460.22888	1.0
461.19357	7.5
462.20343	1.0
463.21371	1.2
471.21902	0.8
472.22653	1.7
473.23584	1.4
475.21338	1.8
476.22113	19.3
477.22577	3.2
479.20941	1.5
485.23459	2.6
487.25076	1.8
489.18643	0.6
494.23090	0.5
503.24420	1.8
515.24799	0.6
517.25958	1.5
519.23962	1.8
520.24933	0.6
531.23907	3.1
532.24683	0.6
535.23450	0.6
536.23859	1.1
545.25513	11.5
546.25854	0.8
547.26996	0.7
549.24890	1.3
563.26501	8.4
591.26385	3.6
605.27551	2.0
623.28693	100.0
624.29077	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
60.51276	0.3
63.10828	0.3
67.05502	1.1
69.07066	0.3
79.05488	1.0
81.07060	1.1
85.10199	0.3
91.05495	0.9
93.07052	1.0
95.04991	0.4
95.08608	0.6
105.07030	0.4
107.08582	0.7
109.10111	0.4
112.29520	0.3
115.15360	0.3
118.06142	0.2
119.08598	0.4
128.81784	0.3
133.10120	0.5
135.08075	0.4
161.35936	0.3
224.13141	0.3
237.13872	0.3
238.14610	0.3
289.18198	0.5
293.21164	0.4
328.46622	0.3
377.17700	0.6
387.16101	0.5
388.16910	0.4
389.17743	0.7
390.18411	0.4
391.19238	1.6
401.17603	0.8
402.18265	0.7
403.19525	1.5
404.20111	0.8
405.16373	0.6
405.21265	2.0
406.21609	0.7
407.22565	1.2
413.18283	0.4
414.18710	0.4
415.19391	0.9
416.20221	0.9
417.16727	0.9
417.21509	1.9
418.17612	0.6
419.18054	0.9
419.23193	2.2
420.23361	0.7
421.24185	0.5
429.16541	0.6
429.21628	0.6
430.16986	1.6
430.22775	0.5
431.17865	3.3
432.19409	1.2
432.24173	0.5
433.20160	5.7
434.83621	0.3
435.21780	0.6
442.17523	0.4
443.18124	1.7
444.18848	2.3
445.19873	4.0
446.21191	2.4
447.21899	4.2
448.22577	1.1
449.23868	0.6
457.20291	0.4
458.20911	6.6
459.21738	4.3
459.27289	0.4
460.22656	5.2
461.19525	0.6
462.20535	0.4
463.21313	2.6
471.22284	0.4
472.22668	0.7
473.23499	0.8
475.20633	1.5
476.22101	1.0
477.23026	1.6
478.24002	0.4
485.23569	0.5
486.24365	0.8
487.24722	0.6
489.18411	0.3
489.23914	0.4
490.23907	0.5
491.24478	0.5
503.20831	0.4
504.25134	0.4
505.21875	0.4
505.27219	0.5
507.27652	0.5
513.22687	0.4
517.22736	1.3
518.23138	5.1
521.22052	1.3
531.24091	0.9
532.25366	0.4
533.25500	7.6
534.26416	0.4
535.27417	2.1
545.25470	3.1
546.26178	1.1
563.26660	4.2
573.24603	0.3
577.28149	0.8
591.26331	0.7
605.27637	11.6
623.28662	100.0
624.29126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
57.03438	0.6
65.92056	0.4
67.05506	2.4
69.07063	0.8
71.61408	0.6
77.45858	0.4
79.05494	2.2
81.07050	3.2
83.08623	0.5
84.41460	0.5
88.55871	0.5
91.05470	2.4
92.70935	0.5
93.07056	1.6
95.04992	0.8
95.08626	1.8
97.10139	0.5
105.07055	1.5
107.08604	1.2
109.06487	0.5
109.48379	0.5
109.87879	0.5
114.66927	0.5
117.07028	1.5
119.08586	1.7
121.06526	0.5
121.10137	0.9
128.06169	0.5
129.07040	0.6
129.85820	0.5
131.08574	0.8
133.10153	1.2
135.08072	0.5
135.11760	0.5
143.08546	0.8
145.06519	1.3
145.10205	0.7
155.08557	0.5
159.11688	0.8
173.13322	0.5
178.07161	0.5
181.70218	0.5
183.11745	0.6
209.10811	0.5
271.16974	0.9
289.18143	0.7
375.16043	0.8
388.17346	0.8
389.17767	4.0
390.18378	1.3
391.19180	3.6
401.17990	0.9
402.18787	0.9
403.14651	0.6
403.19525	2.9
404.19962	1.4
405.20813	8.8
406.21594	1.2
415.18777	0.6
416.20270	1.0
417.16437	6.6
417.20935	1.6
418.17365	2.5
419.18600	3.7
431.18378	6.1
432.19464	7.3
433.20224	9.2
433.25455	0.7
435.22052	0.5
445.20425	3.5
449.23654	1.2
451.14963	0.5
459.21939	1.4
460.22751	0.6
461.19431	2.3
462.20688	0.7
463.21484	1.9
475.21255	1.7
476.22070	5.0
477.23431	4.2
487.21738	0.7
489.22867	1.4
491.24481	2.1
519.23950	23.9
520.24622	0.9
547.23358	0.6
551.27197	1.0
563.26587	13.8
573.69830	0.6
579.25916	5.8
605.41876	0.8
623.28705	100.0
624.29187	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	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
54.41894	1.5
55.01873	4.9
55.05515	18.5
57.03432	9.2
57.07088	2.4
61.02929	28.8
65.03915	1.8
67.05508	47.1
69.03431	10.6
69.07066	16.0
69.33891	12.4
71.01345	1.6
71.04986	5.2
73.02909	8.2
79.05496	41.1
81.03426	8.5
81.07064	43.5
82.45850	1.3
83.04966	6.3
83.08628	14.1
85.02912	23.9
85.06553	3.4
91.03977	13.4
91.05482	51.7
93.07055	36.3
95.04984	11.0
95.08611	31.2
97.02905	15.2
97.06532	7.7
97.10174	7.5
98.21432	2.6
99.04456	4.0
103.05452	3.9
105.07038	39.6
107.04963	7.6
107.08595	19.9
109.02870	3.6
109.06519	5.3
109.10165	13.1
111.08096	5.2
115.05476	5.0
115.14163	1.6
117.07032	34.4
119.04983	3.2
119.06014	1.6
119.08590	24.4
121.06511	8.2
121.10148	14.9
123.08089	5.2
125.09641	3.7
127.03905	6.2
128.06248	8.9
129.05511	2.1
129.07013	37.9
131.04903	3.0
131.08583	44.4
133.06520	7.8
133.10143	16.8
135.08073	5.3
135.11690	5.3
137.06013	1.5
137.09547	3.3
139.11205	2.2
141.07010	19.6
142.07800	4.4
143.08568	34.4
145.06480	11.0
145.10138	23.5
147.04417	2.9
147.07990	8.5
147.11697	6.4
149.09656	8.3
149.13248	2.7
153.06992	4.4
154.07785	2.0
155.08562	24.3
156.09238	1.7
157.06494	4.4
157.10149	19.4
158.86774	1.5
159.08023	4.3
159.11690	15.0
161.09634	4.9
161.13223	2.2
163.11166	2.9
165.07040	4.6
165.12823	2.0
166.07790	3.1
167.07306	2.4
167.08574	12.2
169.10158	19.7
171.08043	2.6
171.11673	14.7
173.09608	4.8
173.13277	5.1
175.11185	3.6
177.12724	2.7
179.08572	5.8
181.10123	13.5
182.10837	2.8
183.08231	2.9
183.10254	2.0
183.11644	10.4
184.09052	1.5
185.09622	3.2
185.13261	10.3
187.11217	3.4
187.14801	3.6
193.10110	6.3
193.12187	2.2
195.08041	1.6
195.11703	14.4
197.09633	3.1
197.13290	9.7
199.11292	2.6
199.14894	3.4
201.12788	3.8
202.04655	1.5
203.14380	1.8
205.10173	2.3
207.11702	5.9
209.13351	7.8
211.11218	2.4
211.14804	7.0
213.12808	5.8
213.16345	1.5
215.14339	9.8
217.15874	2.7
221.13336	9.8
221.15256	2.4
223.14874	7.3
225.12805	2.9
225.16383	4.5
227.14415	3.0
229.15959	2.0
231.13844	3.0
231.17514	1.7
233.13200	2.4
233.15421	1.6
235.14816	5.3
237.12656	1.8
237.16338	2.1
239.14398	6.2
239.17932	1.8
241.15971	3.1
245.15352	2.9
249.16443	2.3
251.14333	1.8
253.15889	4.3
255.13696	1.8
255.17497	2.2
257.15329	5.2
259.17157	2.7
271.16925	4.2
275.16260	2.5
283.90964	1.6
305.22708	1.9
315.21063	3.3
323.23703	5.6
333.22131	17.2
341.24799	9.3
351.23227	48.1
369.24255	35.6
387.25323	21.4
395.81018	1.5
407.25821	1.9
415.28326	2.2
425.26682	8.1
433.29810	3.5
443.27979	100.0
461.28983	66.9
587.31732	2.6
605.32892	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	624.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01878	1.6
55.05516	7.0
56.05042	5.2
57.03432	1.7
57.07066	2.4
58.02939	1.0
60.04529	41.7
61.02920	2.0
67.05506	10.7
68.05035	1.7
68.99786	1.5
69.03433	11.4
69.07067	10.1
69.91917	3.0
70.02962	1.8
70.06573	1.5
71.04986	1.9
71.08645	1.0
72.04525	5.2
73.02905	1.9
74.02446	45.7
74.06062	1.3
74.82187	0.6
76.03985	1.2
79.05504	6.4
80.05027	4.7
81.03426	10.0
81.07061	11.5
82.06585	2.0
83.04981	1.0
83.08622	7.5
84.04520	0.8
84.08152	1.2
85.02915	20.7
85.10151	0.8
86.06063	1.5
87.00837	6.4
88.03989	2.5
91.03967	0.7
91.05489	3.9
93.07038	6.3
95.04978	1.8
95.08614	12.1
96.08125	1.7
97.02900	5.9
97.06525	1.3
97.10184	4.1
99.04455	4.8
100.03981	2.7
102.05550	1.0
104.03503	1.1
105.01878	4.0
105.07036	2.6
106.07475	0.8
107.08614	4.0
108.04503	0.8
108.08129	0.7
109.02883	8.7
109.10159	6.1
110.09682	1.0
111.11722	1.1
116.20517	0.8
117.07041	0.7
118.05006	1.8
119.04897	0.7
119.08571	2.5
120.04450	0.7
121.10139	4.2
123.11693	2.2
127.03930	13.2
129.01785	0.9
131.08606	1.1
133.10129	1.6
135.11708	1.6
145.02864	0.6
145.04988	3.6
147.11710	1.0
149.13252	1.3
152.58951	0.9
159.02899	2.5
166.04935	1.0
231.04958	2.0
276.26892	11.6
278.28516	3.9
294.28015	9.6
296.29483	5.7
304.26352	1.5
312.29010	1.7
322.27396	7.7
340.28467	23.5
349.11984	0.8
358.29529	100.0
359.29846	1.3
376.30594	71.7
382.29471	1.4
400.30600	2.6
418.31595	2.1
462.29117	0.8
552.31055	1.1
570.32617	1.7
588.33087	1.9
606.34296	1.6
624.35443	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	624.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	31.0
57.62469	33.3
63.65971	37.0
67.05505	64.2
71.60126	37.4
79.05479	37.0
81.07048	91.0
91.05467	79.7
95.08559	41.2
105.07005	64.0
133.10149	61.5
140.83913	33.6
142.74821	33.8
147.11755	31.0
218.63474	30.4
235.29608	40.5
241.19548	43.9
259.20633	64.1
298.96393	29.2
313.27432	100.0
322.26187	31.3
333.24136	51.3
387.81400	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1762
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
55.01889	1.5
57.03424	2.4
61.02919	2.4
67.05482	3.4
69.03416	2.6
69.56971	8.0
69.57384	2.8
70.06592	2.0
73.02920	2.3
79.05472	2.2
81.03406	3.8
81.07059	1.8
83.18902	1.3
85.02878	8.5
91.05490	2.2
93.03400	1.8
95.08604	3.1
97.02910	3.2
97.06505	1.6
97.49529	1.6
98.97575	2.2
103.03915	3.1
107.04949	3.1
109.02888	3.5
119.04866	1.9
121.02847	2.2
123.04453	1.7
131.04845	1.9
135.04324	1.7
137.02335	8.2
145.02727	1.7
146.05968	1.8
147.04402	2.5
149.05948	8.0
149.09555	1.7
151.03903	30.9
151.05060	3.9
163.03889	2.4
175.03903	4.4
177.01836	2.8
177.05482	4.8
179.03299	2.8
189.01830	8.2
191.03273	6.8
195.02885	5.6
201.01778	1.8
201.05354	2.2
203.03378	6.6
203.31114	1.7
204.04059	1.5
205.04866	1.7
207.02856	6.7
207.06432	1.5
209.15440	1.5
215.03477	2.1
217.04916	5.3
219.02950	7.8
227.03427	2.1
229.04915	4.1
233.04384	3.2
239.03662	1.7
243.02843	3.0
253.04926	2.1
255.02812	2.1
257.04449	2.8
258.05334	2.0
267.06494	2.6
273.03766	1.7
283.05890	2.3
285.04025	2.2
286.04791	3.8
294.05264	1.9
295.05826	2.2
296.06836	3.3
297.07516	4.0
298.04785	3.0
298.08237	5.8
301.07132	12.5
308.06906	3.2
309.04001	3.1
309.07455	4.2
310.04666	12.6
310.08289	3.9
311.05423	5.2
311.09155	5.4
312.06235	6.3
313.06992	12.8
314.07816	3.0
321.07571	2.2
322.04642	10.2
322.08237	3.1
323.05374	4.8
323.08920	3.0
324.06281	20.4
325.07071	78.7
326.07645	7.2
327.08484	8.7
328.05618	2.1
334.04724	2.1
334.08310	2.0
335.09280	3.3
336.06369	8.2
337.07080	49.5
338.04135	2.0
338.07794	14.9
339.08643	10.3
340.05847	5.1
343.08130	15.6
348.06174	2.5
349.06958	4.1
350.07800	8.6
351.04797	2.7
351.08615	23.3
352.05792	7.8
352.09464	8.7
353.06277	2.6
353.10107	3.8
355.08130	97.2
356.08493	1.5
361.06888	2.3
362.07755	4.3
363.08505	6.9
365.06189	3.1
365.10184	12.1
366.07333	5.2
367.08096	66.4
369.09769	1.7
375.08319	3.7
376.05365	2.9
376.09549	1.9
377.06097	2.3
377.10245	10.8
378.07401	3.1
379.08136	29.6
380.08749	3.2
381.09665	23.9
385.09222	23.3
390.07184	3.0
391.08008	15.2
393.09683	5.5
395.11398	13.6
397.09109	6.1
403.08078	6.5
403.93008	1.5
405.09634	10.4
409.09174	60.0
416.14725	3.5
418.06616	2.0
419.11359	3.2
421.09167	31.1
423.10431	3.2
427.10480	3.9
431.11093	2.3
432.17850	2.0
432.83755	1.5
433.09122	20.0
439.10248	50.0
445.10593	6.0
451.04340	2.8
451.10199	28.5
457.11288	42.7
463.12259	13.5
469.11328	35.6
475.11179	7.8
487.12372	100.0
488.13086	1.9
493.11572	8.0
499.10629	2.0
505.13397	20.9
511.12305	29.7
517.11145	3.4
523.11975	2.8
529.13367	22.9
535.12329	6.6
541.13428	22.9
553.13373	23.1
559.14203	10.5
571.14435	29.1
589.15540	23.6
590.15564	1.6
607.16406	9.6
625.17346	2.3
625.24738	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	625.1764
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
53.03937	0.7
53.72509	0.6
57.03446	1.1
61.02934	0.7
69.03438	3.0
69.74113	1.7
69.74545	2.0
70.06597	1.4
79.05484	0.7
81.03403	2.7
81.76324	0.6
84.08121	0.7
85.02899	5.4
86.09724	0.8
91.05481	0.8
92.07390	0.6
95.04947	0.8
97.02888	2.1
98.97579	0.7
109.02879	2.8
119.04926	1.3
121.02863	2.6
127.03880	1.5
138.05458	0.7
141.01837	0.7
147.04384	1.0
149.05978	2.1
149.09682	0.6
151.03952	3.5
163.03937	0.8
165.01863	7.7
167.03392	1.6
175.03932	1.9
177.01920	1.3
177.05533	1.1
181.04951	2.4
183.02908	3.2
187.03958	1.0
195.02892	0.9
205.04991	1.2
207.06502	1.6
215.03442	0.8
243.02946	1.2
257.14957	1.1
258.05212	2.7
261.03882	1.1
268.07224	0.9
270.05255	2.6
271.06009	1.6
282.05273	4.1
286.04745	10.4
296.06763	7.7
297.07608	3.1
298.04752	17.4
299.05609	0.9
300.06238	6.7
301.07083	29.8
309.07556	1.0
310.04749	4.6
310.08319	3.6
311.09076	4.9
312.06299	0.9
313.07074	100.0
314.07742	5.5
320.06812	1.8
324.06290	12.0
325.07050	7.3
325.10522	1.3
327.08624	1.9
328.05847	14.2
335.09430	0.7
336.06293	2.1
337.07178	2.6
338.07849	7.2
339.04999	2.0
339.08643	15.9
343.08151	73.0
344.08582	0.8
348.06238	2.5
351.08627	1.7
352.05682	2.0
353.06598	0.8
353.10263	17.3
355.07999	0.7
363.08633	2.9
364.05820	2.6
366.07285	1.7
367.08151	48.0
372.47385	0.7
376.05746	1.3
379.08185	11.0
381.09668	3.1
391.08228	9.7
394.06824	2.3
397.09201	33.6
409.09213	23.2
427.10287	27.7
445.11346	40.5
463.12375	11.0
505.13419	1.5
529.13708	0.8
559.14447	1.4
601.51483	0.9
607.16168	1.2
625.25647	1.6
644.17090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01851	1.2
57.03406	1.7
61.02895	1.7
67.05480	0.8
69.03430	5.0
69.72483	1.6
69.72901	1.7
70.06557	1.3
73.02879	0.6
81.03425	3.6
81.07050	0.5
85.02427	0.7
85.02904	11.3
87.04411	0.6
91.03931	0.7
91.05438	0.7
97.02911	4.9
97.06487	0.5
98.20800	0.9
98.97559	0.6
103.03947	0.6
105.60035	0.6
107.08556	0.6
109.02890	3.2
119.04929	1.1
121.02821	1.1
127.03883	1.9
145.04979	1.1
147.04379	1.3
149.02290	0.8
149.05937	2.1
151.03940	5.9
153.04433	0.5
160.07535	1.0
163.03857	1.4
165.01846	7.1
167.03391	1.7
167.07010	0.5
175.03902	2.0
177.01909	0.7
177.05434	1.1
181.04933	0.8
183.02864	1.6
187.03929	0.7
191.03311	0.8
195.02881	1.8
207.06503	1.2
237.78127	0.6
239.13896	2.1
243.06555	0.9
254.05728	0.6
257.14856	0.9
258.05139	0.7
268.07193	1.2
270.05145	1.6
271.06116	2.7
272.06705	0.8
278.77356	0.5
282.05243	4.3
284.06726	0.8
285.07614	0.8
286.04709	2.2
296.06760	7.5
297.07547	5.2
298.04694	12.5
299.05478	1.1
300.06274	7.0
301.07111	6.3
306.49963	0.5
308.06604	1.0
309.07422	1.5
310.04712	5.5
310.08386	3.8
311.09091	5.8
312.06213	1.2
313.07056	82.3
314.07837	6.3
320.06906	1.1
324.06281	10.1
325.07068	6.5
325.10608	1.1
327.05054	1.3
327.08673	2.0
328.05765	20.1
335.09280	0.9
336.06375	1.9
337.06961	1.7
338.07861	5.1
339.04993	1.4
339.08606	16.8
343.08127	100.0
344.08548	1.7
348.06256	2.0
351.08661	1.1
352.05896	1.3
353.05954	1.0
353.10214	14.9
355.08533	0.8
363.08524	2.2
364.05652	1.8
366.07019	0.9
367.08112	40.9
368.08310	1.0
376.05850	1.8
379.08096	9.9
381.09714	3.2
391.08081	8.4
394.06641	2.0
397.09177	26.9
409.09174	16.5
427.10269	20.7
445.11313	36.0
446.11349	1.1
463.12375	32.3
625.16101	0.7
625.24634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05520	6.3
55.57642	0.7
56.96564	0.9
57.03446	1.1
61.02937	1.0
61.83065	0.8
67.05519	3.8
69.03439	1.0
69.07081	1.4
71.59606	1.2
74.96823	0.7
77.17841	0.9
78.54807	0.8
79.05496	3.4
81.03406	1.1
81.07061	5.3
81.11128	0.6
83.04988	1.0
83.08633	5.1
85.02939	0.8
91.05504	2.3
93.07049	3.1
95.08582	2.4
97.02879	1.2
97.10175	8.5
105.07051	3.1
107.08641	3.6
109.06544	1.3
109.10194	1.7
112.10140	0.7
117.07029	1.5
119.08569	1.7
121.10169	1.0
125.09641	8.5
129.07024	1.2
131.08594	2.0
133.10152	1.3
135.08055	1.4
137.09682	0.8
159.11794	0.9
189.11200	4.3
211.09605	5.5
227.12848	9.2
227.14960	1.2
229.09250	4.3
247.10301	2.7
291.19949	0.9
354.17905	0.8
381.17188	1.0
389.26807	1.3
437.21426	12.5
445.29712	3.1
455.21481	1.9
463.30630	1.3
530.75775	0.8
625.31976	100.0
626.32190	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	625.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.3
55.05509	41.8
57.03426	13.7
57.07069	7.5
67.05509	91.3
69.03425	9.1
69.07069	29.8
70.21493	10.9
70.21911	21.8
71.05006	9.6
79.05485	58.9
81.03454	6.7
81.07058	100.0
83.04968	10.9
83.08626	20.4
85.06556	12.6
91.05492	65.3
93.07043	76.3
95.04996	15.1
95.08613	57.1
97.02901	7.7
97.06528	20.3
97.10188	13.1
105.07039	51.2
107.08614	39.7
109.06522	8.4
109.10142	26.7
115.05470	6.9
117.07019	35.8
119.08575	54.2
121.10153	23.1
123.11717	8.1
125.09663	9.8
128.06203	8.9
129.07005	29.7
131.08586	47.4
133.10088	31.6
135.08047	10.0
135.11705	14.8
141.07039	10.9
143.08521	36.8
145.10114	42.6
147.11693	16.7
149.13107	8.2
155.08559	12.9
157.10136	30.5
159.08089	7.3
159.11707	29.0
161.13301	12.4
167.08589	9.2
169.10112	23.3
171.11681	30.2
172.57141	6.3
173.13251	14.9
175.11179	7.4
181.10088	8.2
183.11700	20.8
185.13246	14.5
187.11287	7.5
187.14801	10.4
195.11732	10.8
197.13289	15.2
209.13353	8.4
211.14801	15.0
213.16389	10.1
216.71184	7.5
273.76956	6.4
320.36099	6.4
333.17398	6.8
353.24512	12.7
371.25912	12.5
387.87906	6.7
389.26953	12.9
445.29526	89.4
463.26575	40.1
463.31494	19.2
468.63776	7.0
513.35986	9.9
515.39069	10.1
533.39783	13.4
534.27527	6.9
551.41211	9.1
607.43835	43.0
625.31927	75.4
625.44348	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01872	43.0
55.05511	41.3
57.03448	13.8
57.07069	5.4
59.04992	3.9
65.03934	6.3
67.05160	5.7
67.05509	83.4
67.05870	5.2
68.51806	3.0
69.07072	79.4
69.07450	4.6
69.46648	3.9
69.47038	20.1
70.92329	2.6
71.05018	5.7
71.08638	3.8
71.68469	2.6
71.76193	3.1
79.05497	66.9
81.03429	9.5
81.06575	3.7
81.07056	83.0
83.04991	11.6
83.08614	19.1
85.06547	7.8
91.05476	86.8
93.07045	70.2
95.01333	6.6
95.04962	14.6
95.08604	58.5
97.06532	43.7
97.10184	7.4
99.08087	6.0
103.05518	3.6
105.04520	3.0
105.07031	80.5
107.04964	20.7
107.08601	38.2
109.06533	13.6
109.10164	22.9
111.08060	4.6
113.09618	2.6
115.05393	3.7
116.06322	2.6
117.07027	31.7
118.29132	2.6
119.05013	3.0
119.08578	59.4
121.06525	4.0
121.10145	25.0
123.08065	6.6
123.11731	7.3
125.09650	7.6
128.06267	7.8
129.07007	27.6
131.08574	57.1
131.09499	3.9
133.10146	52.6
133.91693	2.5
135.08084	4.6
135.11697	18.0
137.09653	3.3
139.11176	4.2
141.07019	8.4
141.11366	4.9
142.07773	5.6
143.08580	32.1
145.06491	2.8
145.10123	45.2
147.08098	5.9
147.11699	32.7
149.09666	10.0
149.13321	10.7
150.43491	3.1
151.11195	5.9
154.07813	6.2
155.08588	17.4
157.10136	33.9
159.08128	4.6
159.11679	38.1
161.09673	3.4
161.13248	21.4
163.11272	5.8
165.12749	2.5
166.07938	3.1
167.08627	8.1
169.10156	28.2
171.08234	3.3
171.10268	5.4
171.11673	26.7
173.13277	17.2
175.11276	4.4
175.14912	11.7
177.12775	4.5
179.08583	4.9
179.14322	9.4
181.10063	13.0
183.11710	20.0
185.13237	20.4
187.14847	8.0
193.10210	3.3
195.11748	12.4
195.13945	2.9
197.13351	12.1
199.14880	12.0
201.12752	3.6
201.16467	5.9
207.11859	4.4
209.13310	15.1
211.14957	8.1
213.12917	4.2
213.16461	6.3
215.18025	4.0
217.15970	3.4
219.11806	4.1
219.17496	4.1
221.13345	5.6
223.14911	9.4
225.16501	5.8
231.21162	4.6
237.16466	6.5
239.17914	5.3
241.19501	19.6
257.19162	10.3
259.20593	25.5
265.19519	3.8
273.18637	11.6
275.20056	49.6
277.21844	4.0
291.19681	7.5
293.21573	5.3
311.23746	3.9
313.21786	3.5
315.23343	5.6
325.25192	3.6
331.22534	4.1
333.24152	20.1
335.26297	4.1
347.22348	3.2
349.23724	31.6
394.25464	3.5
417.31564	3.2
419.33234	3.6
435.32733	10.9
437.34225	17.9
439.32523	3.1
493.37140	4.4
509.36096	3.7
511.38211	10.9
513.35974	6.3
515.39105	8.8
527.37836	8.7
529.39258	5.0
533.40045	14.4
551.41400	9.2
553.39319	3.9
555.36005	4.0
556.37695	4.0
597.45020	3.7
607.43756	53.2
625.44757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.5
54.66218	2.2
55.01877	21.8
55.05520	33.4
55.08136	2.4
57.03445	11.3
57.07068	5.0
61.50886	2.3
65.03935	6.3
66.51576	2.0
67.05508	84.4
69.03420	8.3
69.07069	59.9
70.98917	4.2
70.99247	3.1
71.05000	4.5
79.05501	67.3
81.03410	7.6
81.07062	80.4
83.05012	10.9
83.08624	14.5
85.06541	3.9
86.32417	2.0
91.04951	4.4
91.05482	62.4
91.64616	2.6
93.07053	66.4
95.04984	21.4
95.08613	47.7
97.02908	2.7
97.06521	25.6
97.10162	9.1
99.08083	3.8
100.20264	2.3
105.04548	3.4
105.07038	51.7
107.04959	11.5
107.08610	37.5
109.06546	12.1
109.10163	26.8
109.17655	2.2
111.08112	3.8
117.07025	19.9
119.08591	39.7
121.06540	5.8
121.10155	20.7
123.08067	5.6
123.11725	4.9
125.09633	9.9
128.06204	6.6
128.15987	2.3
129.07008	14.7
130.07706	2.6
131.08582	32.0
133.10150	32.4
135.08047	6.6
135.11728	14.4
135.88560	2.3
137.09593	4.4
141.06990	6.9
142.07724	4.2
143.08572	18.6
145.06549	4.1
145.10139	29.2
147.08070	6.9
147.11708	23.2
149.09558	5.7
149.13243	8.2
151.11244	2.7
155.08536	8.3
157.10129	21.7
159.08028	2.6
159.11710	22.9
161.09644	4.3
161.13263	13.7
163.11232	5.4
163.14850	3.1
167.08611	3.0
169.10141	8.8
171.10318	3.2
171.11674	14.6
173.13275	14.6
175.14854	6.2
177.12741	5.8
181.10138	6.4
183.11755	11.3
185.13242	11.6
187.11108	2.9
187.14830	6.4
189.12711	3.0
195.11734	2.9
197.13268	7.2
199.14850	7.0
207.11752	3.1
209.13229	4.8
211.14862	4.2
217.15912	2.3
221.13269	2.2
223.13234	5.1
225.16396	2.8
231.20825	2.5
235.14807	3.4
237.16405	5.2
239.17908	3.5
241.19508	8.6
245.19067	3.0
255.17320	3.2
257.19189	5.1
259.20660	14.1
261.22116	5.0
273.18518	24.4
275.20139	21.7
277.21878	2.8
289.17963	2.5
291.16440	4.4
291.19574	68.1
333.24380	12.6
335.25818	7.6
345.28119	2.4
347.22110	5.0
349.23727	12.7
353.24841	2.6
435.32315	4.2
437.34033	9.9
441.34579	2.5
465.22949	2.8
478.22726	2.8
501.35486	2.7
505.40604	2.7
509.36624	3.3
511.37695	7.8
527.37238	4.3
529.38940	5.0
533.39642	6.6
537.35980	3.2
547.25818	3.4
551.40918	4.8
555.36517	3.4
607.43713	37.3
625.27472	20.6
625.44934	100.0
626.45361	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.7
55.01868	7.0
55.05514	36.1
57.03434	6.2
57.07071	5.1
65.03953	2.9
67.05509	52.4
69.03431	2.6
69.07079	19.9
71.05000	4.6
71.08636	4.5
71.73145	1.5
77.94424	1.6
79.05500	40.3
79.93002	1.4
81.03426	5.6
81.07061	49.2
81.07507	3.4
83.04989	4.9
83.08614	18.1
85.06565	3.9
91.05483	35.8
91.05994	2.6
93.07050	34.1
95.01338	1.5
95.04953	8.6
95.08607	26.9
97.06538	3.1
97.10185	21.2
98.20786	4.5
105.04546	2.3
105.07045	30.8
107.04999	4.6
107.08604	26.1
109.06553	3.7
109.10172	18.4
111.08016	2.3
115.05463	3.5
116.06206	2.1
117.07031	22.2
119.05042	1.6
119.08566	19.6
119.09320	1.7
121.06519	2.2
121.10165	10.8
123.08097	3.6
123.11710	3.0
125.09622	16.8
128.06265	4.6
129.07001	18.0
131.08582	23.2
133.10150	13.1
135.08107	6.6
135.11719	5.9
141.06995	5.4
142.07863	3.1
143.08583	19.2
145.06493	2.4
145.10144	22.9
147.08125	2.1
147.11729	7.5
149.09621	2.2
149.13326	4.0
151.11214	2.7
155.08601	9.1
156.09459	1.8
157.10130	16.6
159.11707	11.8
161.09727	2.0
161.13297	4.1
167.08585	3.5
168.09428	2.3
169.10167	10.5
171.10478	2.2
171.11668	10.4
173.09767	1.9
173.11864	1.7
173.13330	7.2
175.11244	1.7
177.12950	1.6
179.08754	2.2
181.10089	8.2
183.11659	9.6
185.13269	8.5
187.14891	4.3
189.11234	9.2
189.12732	1.7
195.11789	4.5
197.13351	7.5
199.14905	5.1
209.13394	5.0
211.14885	5.3
213.16472	5.5
215.18011	2.3
221.13350	3.3
223.13219	1.8
225.16422	3.2
227.12778	15.3
227.17860	2.5
235.14876	1.7
237.16573	2.4
239.18137	2.7
241.19626	6.8
243.21291	3.3
251.18315	1.7
253.19621	3.2
255.21150	3.3
259.20685	3.3
271.20749	2.6
273.18649	7.7
275.20367	2.6
277.21930	3.6
279.21573	2.1
283.24484	1.8
291.19531	10.5
293.21292	3.2
299.24042	2.7
311.23615	1.9
347.22363	2.4
381.31570	11.8
515.39111	2.7
525.36218	7.6
527.37445	5.6
533.40283	6.9
547.26465	4.1
551.41089	4.7
565.28009	2.4
597.45648	2.8
607.43323	18.6
625.30579	13.8
625.44855	100.0
626.45428	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03947	4.3
55.01873	10.8
55.05513	30.9
57.03437	6.5
57.07061	4.4
63.56515	1.3
65.03938	2.1
67.05505	54.4
69.03445	1.9
69.06709	2.2
69.07068	22.9
69.39313	11.8
71.04993	4.4
71.08620	1.5
73.04774	1.3
78.70081	1.5
79.05492	38.7
81.03426	5.4
81.07057	56.0
83.04984	5.3
83.08616	14.7
85.06551	3.5
86.09705	5.4
91.05489	36.2
93.07050	33.8
95.04958	7.2
95.08604	34.5
97.06541	10.8
97.10169	14.6
99.08104	2.7
105.07034	35.6
106.07367	1.5
107.04978	3.6
107.08598	25.6
109.06536	6.2
109.10155	19.4
111.08079	3.6
115.05439	3.2
117.07009	17.7
119.08571	25.4
121.06514	2.6
121.10149	15.0
123.08105	2.7
123.11705	9.9
125.09614	11.1
128.06187	2.5
129.05487	1.8
129.06996	19.9
131.08562	27.0
133.06512	2.6
133.10135	22.5
135.08086	4.1
135.11725	7.1
137.09656	2.3
139.11250	1.4
141.06996	9.1
142.07800	4.8
143.08557	26.5
145.10132	25.7
147.08017	1.9
147.11696	14.3
149.09641	5.2
149.13232	6.4
151.11153	1.8
153.07034	1.9
153.09177	1.6
154.07808	2.3
155.08545	17.5
156.09271	2.9
157.10138	20.9
159.11699	18.2
161.13240	9.3
163.11179	2.7
163.14937	1.6
165.07085	2.6
167.08580	7.7
168.09404	2.1
169.10138	15.9
171.10251	2.9
171.11665	18.8
173.09630	2.8
173.13261	10.2
175.11201	3.2
175.14874	2.3
177.16393	1.8
179.08510	3.6
180.09288	2.1
181.10161	10.2
182.10899	2.0
183.11700	18.9
184.12454	1.6
185.09740	2.1
185.13293	12.3
187.11212	1.5
187.13321	3.2
187.14841	5.0
189.11267	6.0
189.12758	2.0
189.16444	2.8
193.10101	2.9
194.10817	2.4
195.11726	9.2
195.13420	1.3
196.12360	1.6
197.13264	12.6
199.11398	1.6
199.14815	10.8
201.16417	4.1
207.11778	4.9
209.13271	7.8
211.14867	9.5
213.16457	5.9
215.18069	2.0
218.96271	1.5
219.11899	1.9
221.13307	4.2
223.14810	6.2
225.16394	8.5
227.12782	6.9
227.17902	3.3
229.14224	2.4
235.14864	3.0
237.16483	3.6
239.18010	3.9
241.19601	4.4
243.15901	3.9
243.21152	1.9
247.14928	2.1
249.16391	1.9
251.17947	2.7
253.19620	2.0
257.19189	3.1
259.20688	5.9
263.18008	1.9
265.19562	2.3
267.21210	1.8
273.18579	3.7
275.20169	6.9
283.20654	1.8
285.22031	1.7
295.20493	1.4
297.22211	1.5
301.21649	1.5
307.20413	1.8
313.21701	2.5
316.18228	1.5
321.22064	2.1
323.23593	2.8
325.25174	1.5
333.24542	2.7
338.14868	1.7
349.24020	4.1
365.28387	7.8
367.26334	2.3
381.27603	2.2
381.31845	3.0
383.29828	3.0
421.31198	4.4
439.32025	4.1
453.33826	2.3
473.24936	1.3
495.34979	3.0
513.35706	16.3
515.38849	7.2
527.37415	5.7
533.39825	9.6
551.40875	5.4
555.36554	2.4
589.42511	3.6
607.43610	45.4
625.26929	4.2
625.44629	100.0
626.45013	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	12.2
56.96801	2.0
56.96972	0.4
61.52064	0.2
66.92715	0.2
67.05444	0.5
69.06984	0.3
70.30656	0.8
71.95177	2.3
72.96004	0.5
74.97527	0.8
75.07822	0.3
79.05429	0.3
81.06986	0.5
84.95945	1.1
86.97515	0.3
93.06985	0.4
95.08526	0.5
97.96794	1.4
98.97495	0.9
102.62215	0.3
105.00104	0.4
105.06961	0.6
108.73951	0.3
110.97573	5.4
115.97780	0.7
116.98557	0.6
119.08536	0.3
120.29699	0.2
123.01179	0.6
124.99071	0.3
128.98615	6.9
135.11647	0.3
137.02650	0.5
143.00056	1.0
146.99664	4.0
149.01050	0.3
151.00568	0.3
151.04274	0.3
152.00093	0.5
161.01274	1.5
161.02315	0.3
165.00676	0.3
166.68982	0.3
167.03691	0.3
169.01718	0.4
170.01256	0.4
171.03288	1.2
175.02719	0.7
179.02277	0.4
183.03233	0.5
185.04776	1.0
189.04248	1.0
191.05804	0.3
193.03825	0.3
203.03906	0.3
203.05826	1.0
205.07225	0.4
215.07417	0.3
216.86456	0.3
217.07368	0.6
219.08904	0.2
225.07936	0.3
227.09486	0.8
233.04999	0.4
235.06404	0.3
237.07750	0.3
239.09520	0.5
241.11063	1.6
243.09077	0.4
244.09827	0.3
245.10593	1.0
249.07718	0.3
252.10452	0.4
255.12730	0.5
259.12164	0.9
263.09570	2.0
263.35889	0.3
264.10190	0.5
265.11127	0.5
275.09491	0.4
277.11139	1.0
281.10626	0.4
282.11246	0.3
285.11798	0.5
289.11255	0.3
291.12543	0.4
303.12677	1.8
313.14780	0.8
315.16324	50.1
316.16745	0.4
317.14120	0.5
331.15790	2.3
333.17392	100.0
334.17615	1.4
347.18845	0.5
351.18442	17.2
356.19006	9.9
357.19260	0.5
369.19940	0.6
373.58926	0.3
374.20105	3.6
591.37793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
53.03925	9.3
55.01873	18.2
55.05515	35.5
57.03451	11.8
57.07063	4.9
59.04972	3.2
65.03934	5.3
67.05510	89.7
69.03416	3.6
69.07075	40.5
69.46073	7.2
69.46490	8.7
71.04969	7.0
71.08605	2.8
72.68144	2.2
73.06504	2.1
79.05497	82.0
81.03399	5.1
81.07062	100.0
83.04948	8.5
83.08626	15.5
85.06510	7.0
85.25795	2.1
91.05486	62.2
93.07050	80.4
95.04980	11.6
95.05451	2.3
95.08614	73.5
97.06548	23.7
97.10172	11.8
97.96835	2.0
98.20731	3.9
99.08065	5.4
103.05421	2.4
105.04479	2.9
105.06390	3.3
105.07033	57.3
107.04960	15.2
107.08602	49.8
109.06482	9.8
109.10164	38.3
111.08070	5.1
111.54278	2.4
117.06328	2.2
117.07022	24.6
119.08586	46.5
121.06442	3.4
121.10155	30.5
123.08020	8.3
123.11740	14.3
125.09586	10.1
129.07021	15.7
131.07742	2.6
131.08577	34.8
133.10135	40.7
135.08038	5.5
135.11707	17.9
137.09555	3.7
137.13234	2.8
141.06972	4.8
142.07784	2.6
143.08554	13.4
145.10132	36.6
147.11687	29.5
149.09639	19.8
149.13313	10.6
155.08469	6.9
156.09300	2.5
157.10127	15.5
157.76132	2.1
159.10641	2.8
159.11707	31.3
161.13280	14.6
163.11133	10.8
163.14755	6.0
169.10065	10.2
171.10336	2.7
171.11678	11.9
173.13275	20.0
175.14772	5.5
177.12756	3.4
183.11630	9.8
185.13260	10.6
187.14758	8.3
189.11087	7.4
195.11601	3.4
197.13188	9.1
199.14728	6.7
201.16313	5.4
209.13199	4.2
211.14830	4.4
213.16330	8.5
219.17310	6.0
225.16312	2.3
227.12659	9.0
227.17981	2.9
229.19371	3.0
230.91295	2.2
235.14645	3.0
237.16351	2.7
239.18028	3.2
243.20462	2.3
247.20500	4.3
257.19116	10.7
257.21237	2.3
259.20590	4.5
261.22125	4.9
271.20590	3.0
275.20087	69.6
277.21500	4.4
283.20465	2.4
293.21008	7.3
317.24515	2.4
335.25839	45.4
349.23846	23.2
351.25546	3.0
481.68521	2.7
515.37183	5.3
517.40118	7.2
535.40887	8.1
553.42188	3.9
555.39923	7.6
591.44952	3.2
609.45215	55.5
610.45227	2.8
627.42786	87.3
628.42499	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	627.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01876	13.7
55.05514	34.6
57.03440	14.7
57.07079	10.8
60.80983	1.9
65.03944	5.2
67.05508	98.7
69.03421	2.9
69.06718	2.5
69.07075	42.7
71.04985	6.0
71.08640	66.9
76.83836	2.0
79.03498	1.8
79.05051	3.6
79.05498	69.4
81.03417	5.5
81.07063	100.0
82.07402	3.3
82.18732	2.1
83.05000	12.8
83.08618	21.6
85.06537	6.1
91.05487	75.5
92.05768	2.2
92.13983	2.0
93.07051	90.4
94.07366	2.4
95.04979	10.0
95.08614	72.1
96.08940	2.2
97.06547	20.7
97.10174	11.5
99.08089	41.6
103.05484	3.4
105.07040	80.8
107.04973	9.9
107.08601	61.7
109.06509	5.8
109.10165	34.0
111.08070	4.5
111.11731	3.1
111.26650	2.2
113.09662	4.0
115.05444	3.0
117.07028	29.9
118.07372	2.7
119.08590	62.3
121.06473	5.2
121.10161	38.0
123.08034	6.6
123.11710	6.4
125.09619	8.5
127.01757	2.4
128.06198	5.1
129.06992	22.3
131.07585	2.5
131.08578	47.8
132.08960	2.2
133.06506	2.8
133.10135	41.3
135.08069	4.2
135.11699	29.1
137.09592	5.4
137.13268	6.6
139.11174	4.4
141.06978	5.9
142.07767	4.0
143.08585	28.8
144.09137	2.3
145.06464	2.8
145.10123	37.2
146.10468	2.5
147.08028	4.5
147.11700	34.5
149.09605	8.2
149.13303	16.1
151.11206	16.0
155.08551	14.0
156.09286	3.2
157.08894	3.4
157.10133	28.7
159.11702	30.3
161.09598	5.2
161.13274	32.3
163.11191	7.8
163.14792	6.7
167.08537	4.5
169.10153	16.3
171.10423	2.6
171.11720	23.6
173.09584	2.4
173.11745	5.2
173.13251	18.0
175.11171	3.3
175.14827	16.5
177.12695	6.6
179.14345	35.5
181.10139	7.1
183.11729	13.4
185.13290	20.6
187.14777	13.3
189.12700	2.3
189.16367	2.7
191.14287	3.4
193.10281	2.7
195.11670	7.5
197.13258	13.7
199.14857	16.1
201.12646	2.2
201.16475	2.8
205.19600	4.1
207.11623	2.8
209.13249	7.4
211.14864	5.9
213.16428	7.0
215.17978	4.7
217.15799	2.2
217.19481	4.8
219.17514	6.4
221.13327	3.7
221.15390	3.0
223.14893	4.2
225.16267	4.0
227.12901	2.5
227.18126	2.8
231.17558	2.8
233.18922	2.5
237.16403	3.4
239.17883	5.8
241.19527	25.7
243.21176	5.2
257.19058	5.7
259.20612	30.6
261.22104	5.0
273.18411	3.0
275.20123	18.1
277.21631	38.4
285.21960	2.4
293.21075	10.8
315.23071	6.0
317.24881	4.1
323.23776	3.5
333.24155	24.5
335.26089	10.5
341.24594	2.1
349.23901	12.1
351.25302	37.3
363.26541	2.4
381.32056	3.0
419.33081	6.1
421.30759	2.7
425.34116	9.1
435.32489	3.1
437.34210	22.7
475.35318	2.7
487.34055	2.4
493.36960	3.8
499.38367	3.8
511.37842	17.2
513.35712	9.4
515.37445	3.6
517.40265	9.6
529.38470	8.1
535.41272	10.5
553.42786	4.5
602.89380	2.3
609.45258	77.5
627.46472	96.3
628.46051	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	628.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01867	2.3
55.05513	8.6
57.03425	1.0
57.07076	30.9
59.05010	1.6
65.03949	1.0
67.05503	11.7
68.05826	1.1
69.07066	7.4
70.21430	2.7
71.04984	1.1
71.08634	30.2
73.06556	6.9
79.05500	9.9
80.05816	1.7
81.07059	11.4
82.07393	1.8
83.08620	6.6
85.06561	0.7
85.10181	19.7
87.04469	7.5
89.06034	100.0
91.05487	6.6
91.07594	1.0
92.05817	1.9
93.07033	9.2
95.04980	1.3
95.08605	7.7
96.08937	1.1
97.06528	1.7
97.10178	5.7
98.20828	1.1
99.11730	2.4
105.07048	6.6
107.04967	1.9
107.07067	2.2
107.08610	5.1
109.10169	4.3
110.10557	1.2
111.08092	1.2
111.11732	2.8
113.13306	1.7
117.07022	1.5
117.09154	6.3
119.08559	4.8
121.10121	4.0
122.10475	0.9
123.11752	1.6
125.09615	1.4
125.13281	2.1
125.78429	1.0
127.14822	1.5
129.07042	1.3
130.08650	1.6
131.07059	1.5
131.08560	5.4
133.08606	51.3
133.10204	2.4
134.10368	0.8
135.11687	2.8
141.16428	0.9
143.08528	2.3
145.10133	3.7
147.11674	1.9
149.09547	1.9
150.45659	0.7
151.91431	0.7
157.10092	1.1
159.11697	1.4
160.12045	1.0
161.11775	2.0
161.13242	1.6
162.13531	0.9
163.11229	0.9
169.10094	1.1
172.11992	1.0
173.13232	1.8
175.09688	1.5
177.11230	22.2
179.14287	2.4
197.13193	0.8
197.22646	2.3
206.58743	0.8
221.13739	4.1
227.18147	0.9
236.14890	1.0
239.14941	0.9
241.25301	2.4
257.18939	0.8
260.97525	0.8
265.16534	1.3
275.20044	2.7
276.20361	2.5
277.21722	1.3
278.22073	1.0
283.17453	1.8
285.27890	6.9
293.21149	1.1
309.19080	1.1
327.19937	1.6
329.30469	3.5
335.25793	2.5
336.26157	2.6
349.23843	1.7
350.24072	1.3
371.22623	2.3
415.25372	5.1
515.37054	1.3
523.70801	0.8
610.45569	5.7
611.47668	6.0
628.43750	9.5
629.47791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
56.04996	1.2
56.96524	0.6
57.03395	1.5
65.03938	3.9
68.99749	1.8
69.03373	2.4
70.06599	3.3
70.71197	2.3
71.78912	0.6
72.08115	1.1
74.06082	11.1
75.06340	0.8
79.05474	0.8
81.03365	2.8
81.07039	1.3
83.04910	0.9
84.04463	1.1
84.08092	2.2
85.02927	4.3
86.09676	1.0
91.05490	4.9
92.05750	0.7
93.03410	7.6
93.06998	1.2
95.08523	0.8
97.02888	1.7
105.06963	1.0
107.04880	1.0
109.02821	3.0
111.04453	23.7
119.04944	4.1
121.02814	2.7
121.06391	0.7
123.04365	0.9
124.07557	0.7
127.03873	1.9
127.14766	0.7
131.37718	0.6
133.02821	0.7
135.04430	4.5
135.11678	0.8
136.07477	0.8
137.02357	11.5
137.05917	1.4
139.03911	57.0
141.01775	0.9
145.02728	1.1
147.04456	3.4
147.05424	1.1
149.02277	2.1
151.03865	0.7
152.07047	0.9
153.01842	0.9
155.08266	0.7
159.04414	0.9
161.02287	2.9
161.05956	0.8
163.03845	3.1
165.00542	0.8
165.01852	14.5
167.03447	3.2
167.07030	1.1
175.03850	3.7
177.01804	1.9
177.05385	1.9
179.03394	1.2
181.04950	8.5
183.02916	4.0
187.03905	1.4
189.01753	1.5
191.03331	2.0
191.24512	0.8
193.04935	0.9
195.02821	1.2
196.36324	0.7
203.03328	1.2
205.04881	1.6
207.02979	0.7
207.06514	6.1
209.08055	0.8
215.03424	1.1
229.01335	1.2
231.02831	1.2
235.02354	1.0
243.02837	2.3
245.04478	1.0
255.06493	1.8
261.04279	1.4
267.02905	2.3
271.06097	1.5
279.06421	0.8
283.06012	9.5
285.03830	0.7
286.04703	2.4
287.05453	5.0
293.04495	1.0
295.05948	1.7
297.07626	6.8
299.05511	100.0
300.06219	10.4
301.07053	1.0
307.05984	0.8
309.07446	1.2
310.04742	1.2
311.01926	1.4
311.05536	28.3
311.09061	2.1
313.07050	2.2
321.07565	2.5
323.05579	2.3
324.06335	2.5
325.03458	7.5
325.07108	27.3
327.04868	0.7
329.06577	94.2
330.06943	1.6
335.05518	1.1
337.06961	3.9
339.04761	1.6
339.08640	14.0
341.06522	1.0
349.07193	5.1
351.04956	4.6
351.08829	2.0
353.06586	30.1
355.04398	1.8
355.08383	2.0
363.04822	0.9
363.29532	0.9
365.06549	12.2
367.08252	1.8
377.06628	11.3
379.08264	1.2
380.30133	1.9
381.06116	1.6
381.30484	0.9
383.07632	20.6
391.04105	1.0
391.08557	1.1
395.07623	28.3
396.08047	1.1
399.07224	1.3
413.08734	22.0
419.07788	4.4
423.07654	0.9
431.09796	55.2
432.09012	2.0
433.09164	1.2
445.09290	2.7
449.09656	2.5
457.09677	0.9
459.11096	1.5
461.08728	2.5
467.09976	1.8
479.09698	10.3
485.08780	1.4
487.10068	0.9
491.09769	12.5
509.10846	11.7
515.09973	2.4
533.10834	23.9
545.11133	2.0
557.10706	2.3
563.11993	5.2
575.11871	4.1
584.35840	0.9
585.37146	1.7
593.12811	10.7
611.13861	9.8
612.13519	0.8
628.35577	2.7
629.13971	0.8
629.22241	2.7
629.35675	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	629.2247
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.33934	0.6
69.75632	2.4
69.76057	1.5
77.42252	0.6
79.63951	0.7
98.21534	1.2
121.10181	0.7
180.07407	0.6
224.09169	0.7
276.83295	0.6
396.12344	1.7
397.13110	2.5
398.13849	1.8
399.14682	0.8
400.15378	1.4
410.13663	4.0
411.14633	8.7
412.15421	4.8
413.16205	4.2
421.58575	0.7
423.14615	2.0
424.10699	1.1
424.16150	3.1
425.16367	16.0
426.17004	9.6
427.17538	3.0
428.18796	4.2
437.16510	0.8
438.12497	3.5
439.13611	20.4
440.19070	8.6
441.19327	39.2
442.19501	2.2
452.14661	3.8
453.15414	24.9
454.15631	5.9
455.21127	0.9
456.17981	1.5
465.15573	0.7
466.17661	0.8
467.17239	28.0
468.17990	19.7
469.18933	9.6
471.16882	1.2
472.17868	1.0
478.72681	0.7
480.18018	0.8
481.14648	11.0
482.15259	1.4
483.16531	0.8
484.22076	3.9
485.17386	3.0
495.16150	1.0
495.20615	1.0
496.17365	9.8
497.17953	1.6
498.18863	2.1
499.19946	1.2
500.20731	4.8
509.18228	1.0
512.20325	2.6
513.21924	5.6
514.22266	0.9
523.19672	1.1
526.18732	0.8
528.20142	0.9
541.20911	44.0
542.21082	2.7
543.22119	0.7
553.20538	1.5
569.20343	100.0
570.20874	3.8
573.23468	2.5
597.19849	30.8
598.19562	1.0
601.22931	14.5
629.22394	65.5
630.23041	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	629.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55366	0.7
66.54873	0.6
69.22910	6.2
70.06586	1.0
79.43764	0.5
85.02905	0.6
95.04946	0.8
97.02905	0.9
98.97606	0.7
113.06019	1.5
115.05461	1.5
117.03338	0.6
117.07013	0.8
118.06551	16.5
130.06529	1.3
131.07036	2.1
132.08087	4.4
138.79315	0.6
142.06499	2.0
143.00114	0.7
143.07266	1.8
144.08098	11.7
146.06015	60.2
147.04408	0.9
147.06357	0.8
154.41592	0.6
159.09174	3.9
160.07585	1.0
163.03888	2.5
170.06058	4.5
177.05566	0.6
188.07074	100.0
189.07387	2.0
205.09735	43.4
237.02786	0.6
244.21503	0.6
251.04565	0.6
467.18872	0.7
629.23328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.1
58.65811	0.5
59.15245	0.5
63.16068	0.5
66.96577	0.5
67.05495	1.0
68.22572	0.5
68.53605	0.6
69.07076	0.8
70.86595	1.2
70.86941	0.6
71.08607	0.5
72.63090	0.6
79.05495	0.7
81.07059	1.3
93.07056	1.1
95.08625	1.2
105.07010	0.8
109.10188	0.8
145.05466	0.6
152.44827	0.5
206.34193	0.6
317.21011	3.8
373.23489	4.0
425.85938	0.6
629.47534	100.0
630.47961	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	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
53.92207	1.9
55.01865	9.7
55.05511	42.1
57.03437	8.1
57.07082	18.7
61.64750	2.3
65.03938	6.2
67.05504	100.0
69.03454	3.2
69.06770	2.9
69.07074	35.5
71.04980	3.3
71.08631	27.7
76.97293	2.3
79.05048	4.1
79.05492	61.0
80.05807	3.2
81.03416	5.8
81.07056	92.4
82.07362	3.7
83.04978	5.9
83.08621	18.9
85.02854	2.4
85.06535	6.5
85.10171	6.8
87.04446	3.6
87.81274	2.2
89.06033	20.9
91.05481	61.5
92.05776	2.3
93.07045	76.1
94.07371	3.0
95.04963	8.5
95.08604	65.5
96.08930	2.7
97.06520	10.0
97.10172	10.0
99.08097	17.0
99.08625	2.8
100.61823	2.4
103.05465	2.4
105.06365	4.3
105.07031	57.8
106.07341	2.7
107.04933	5.1
107.08595	37.7
109.06506	9.7
109.10157	32.7
111.08092	7.1
113.09641	7.2
115.05435	4.4
117.07022	23.3
119.08578	47.2
121.06471	2.7
121.10126	27.6
123.08076	5.3
123.11689	11.9
125.09660	6.7
129.07008	12.3
131.08566	36.7
133.08585	10.6
133.10120	27.8
135.08070	5.5
135.11670	13.3
137.09572	4.8
137.13263	5.3
139.11172	5.3
141.06952	4.5
143.08572	17.9
145.10147	30.1
147.08080	5.3
147.11684	20.4
149.09596	4.2
149.13237	10.0
150.10030	2.4
151.11182	6.8
155.08548	8.5
157.10132	15.6
159.11684	15.1
161.13263	14.1
163.11180	5.0
163.14795	2.8
165.12695	4.1
167.08476	2.6
169.10120	10.6
169.59738	2.6
171.11714	10.5
173.11935	2.9
173.13254	14.8
175.14830	12.4
177.11302	4.7
177.12740	3.5
180.32619	2.2
181.10136	3.9
183.11703	6.3
185.13239	10.9
187.14815	13.6
189.12744	3.9
189.16469	4.5
195.11636	2.7
197.13242	6.4
199.14789	8.3
201.16374	5.9
203.14397	2.6
203.17926	3.0
209.13457	2.5
211.14735	3.9
213.16402	8.3
213.92351	2.2
215.18016	2.7
217.19487	2.6
223.14868	4.2
227.18042	3.2
229.14323	4.1
229.19475	4.2
231.21031	4.1
241.19629	5.7
243.21046	5.4
257.19012	3.3
261.22223	5.2
265.21802	4.5
273.22192	4.1
275.19965	5.5
276.20331	4.8
277.21622	11.3
291.23096	4.7
299.23660	4.2
303.23282	3.2
317.24545	2.9
331.26099	2.5
335.25745	6.9
336.25726	2.3
337.27151	4.0
349.23895	3.4
351.25211	4.5
369.31256	3.4
423.32510	6.5
425.34003	4.3
437.34183	3.9
439.35709	6.5
443.34958	2.6
457.36929	2.9
485.69406	2.5
499.37988	4.6
503.36807	2.9
513.39307	10.4
515.37360	32.8
517.38885	3.2
519.41754	7.5
529.38562	11.6
531.40167	3.9
537.43256	11.2
543.40454	4.2
555.43866	10.5
601.47510	2.8
611.46606	58.2
629.48096	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	2.1
53.03938	6.0
55.01870	4.5
55.05510	26.6
57.03430	8.1
57.07071	8.4
63.51330	2.8
65.03946	5.6
67.05508	79.7
68.05849	4.5
69.07068	26.5
70.72913	6.6
71.05004	3.5
71.08245	1.8
71.08630	48.1
75.91709	2.1
79.05495	78.1
81.03413	4.2
81.07059	83.1
83.04975	8.6
83.08631	19.1
85.06543	5.9
89.06018	4.0
91.05489	54.8
92.05854	2.9
93.07047	90.0
94.07365	2.5
95.05004	10.8
95.08610	59.3
97.06523	10.0
97.10178	6.9
99.08096	37.6
105.07043	40.7
107.04961	7.3
107.08591	49.3
109.06512	5.7
109.10158	25.2
111.08093	4.4
113.09644	2.3
116.74434	2.6
117.07034	17.2
118.07365	2.7
119.08584	35.5
120.08918	2.2
121.10154	34.5
123.08116	3.0
123.11693	5.3
125.09618	3.0
127.11177	2.6
129.06995	8.5
131.08577	24.3
133.10139	25.6
135.08026	3.7
135.11694	35.2
137.09587	3.1
141.07047	2.3
143.08559	8.1
145.10129	21.6
147.11647	15.4
149.09648	5.4
149.13254	18.0
151.11185	16.5
155.08577	4.0
157.10172	6.6
159.11710	13.4
161.13232	17.7
163.11198	7.3
163.14833	10.6
169.10199	3.0
171.11716	8.8
173.11807	3.2
173.13293	9.5
175.14777	6.7
177.12737	4.9
177.16405	6.3
179.14328	54.5
179.15797	3.9
181.10265	3.8
183.11882	2.4
185.13321	9.0
187.14813	5.7
197.13268	3.6
201.16382	3.1
211.14969	2.9
213.16412	4.4
219.17464	9.9
220.17690	10.9
221.15245	2.7
221.18167	2.5
241.19458	4.5
243.21039	14.4
259.20456	3.3
261.22089	14.1
275.20139	3.7
276.20447	6.5
277.21634	57.1
295.22592	4.6
296.80914	2.7
317.24789	8.2
335.25827	43.6
336.26089	7.2
337.26675	5.2
351.25244	44.9
353.27167	3.0
381.27234	2.4
437.34354	4.0
439.35800	5.0
457.36749	2.8
503.37344	2.6
513.39429	10.2
515.37408	12.5
519.42175	3.6
529.38721	7.0
531.40594	2.6
537.42712	2.8
611.46692	100.0
612.47278	4.3
629.47803	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23862	1.6
52.68790	1.8
53.03954	8.1
55.01875	13.7
55.05253	2.7
55.05511	40.1
57.03440	15.5
57.07066	7.3
65.03917	3.6
67.05507	91.0
69.03456	3.5
69.07072	32.8
71.04978	5.9
71.08639	9.7
71.61050	2.5
72.71368	1.7
73.02883	1.7
79.05495	64.3
81.03407	4.2
81.07060	100.0
83.04995	9.3
83.08624	23.5
85.06538	5.2
85.10165	2.9
87.20573	1.8
89.06050	3.1
91.05003	1.5
91.05481	43.4
93.07047	55.1
95.04977	9.8
95.08611	63.2
97.06541	13.4
97.10162	14.1
99.08095	8.0
100.81869	1.6
103.05479	1.9
105.07040	50.5
105.07750	2.8
107.04962	8.2
107.08602	42.9
109.06535	9.4
109.10152	28.1
111.08099	6.5
111.11757	2.6
113.09631	2.8
115.05457	2.0
117.07036	13.8
119.08582	40.2
121.06526	5.6
121.10137	23.7
123.08056	4.7
123.11707	9.0
125.09612	6.3
129.07016	6.9
130.07776	1.8
131.08574	26.7
133.06546	1.6
133.10138	28.8
135.08049	4.2
135.11700	16.0
137.09601	2.7
137.13290	3.5
139.11182	2.8
141.06978	3.3
143.08572	10.7
145.10126	25.9
147.11697	22.3
149.09619	13.1
149.13239	9.8
151.11230	3.9
153.09135	2.1
155.08533	4.2
157.10147	9.6
159.11732	20.7
159.87949	1.9
161.09641	3.0
161.13245	10.3
163.11130	6.3
163.14809	3.7
165.12808	2.4
169.10115	5.0
171.11697	7.3
173.13266	10.9
175.14861	5.4
177.12740	2.3
179.14267	1.9
183.11609	4.1
185.13258	8.3
185.74170	2.0
187.14795	3.9
189.11186	2.8
189.16304	2.8
197.13232	3.0
199.13194	2.1
199.14903	3.1
201.12781	2.1
201.16389	4.4
203.14355	3.8
205.15901	3.2
209.13252	2.2
211.14771	3.9
213.16374	2.5
215.14471	2.1
215.17972	3.1
217.19562	2.6
219.17426	10.2
225.16426	3.2
227.12770	7.7
229.19460	2.6
239.17966	3.8
247.20711	3.1
257.18936	6.4
259.20554	3.8
261.22272	3.1
263.23743	2.8
275.20081	49.7
275.23154	3.4
277.21777	5.6
279.23352	2.8
291.19556	2.3
293.21115	5.9
319.26639	2.1
331.22565	2.8
335.25793	4.0
337.27408	33.0
339.29309	2.0
345.82373	1.8
349.23776	23.2
351.25381	2.2
353.27948	1.9
517.38794	5.1
519.41821	2.4
529.38782	2.3
531.40186	5.5
537.43140	5.2
543.40503	3.1
550.18652	2.1
555.43976	4.2
557.42322	11.5
611.37457	3.3
611.46667	42.8
629.47919	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
55.27027	0.4
55.55409	0.4
65.03941	1.1
67.05483	0.6
67.18295	0.4
69.03429	0.9
70.06581	1.8
71.61044	0.6
72.08146	0.7
77.03949	0.7
79.05485	0.5
81.03413	1.7
81.07051	1.0
85.02897	1.0
86.09707	1.0
89.03898	0.8
91.05488	17.5
93.07011	1.0
95.05008	0.6
95.08612	0.7
97.02883	1.0
98.12384	0.4
99.04497	0.5
103.05472	1.1
105.07058	1.1
105.56459	0.4
107.04957	0.7
109.02890	1.2
119.04951	28.2
120.08092	1.5
121.02869	0.9
121.06523	0.5
123.11707	0.7
127.03911	0.7
131.04935	0.9
132.02084	1.1
135.04399	0.8
137.06006	1.3
145.02803	1.1
147.04424	22.6
147.11667	0.5
149.02365	0.7
149.06012	0.9
157.03954	3.0
157.09821	0.5
161.06006	1.0
163.03900	0.8
164.04636	0.9
166.08643	0.8
167.07062	4.4
175.03918	39.9
177.05463	3.7
179.07013	2.6
192.04195	1.4
193.12315	0.7
207.06541	100.0
208.06825	1.0
209.08098	2.1
225.07603	0.8
227.09166	0.9
257.17490	1.2
279.08612	0.9
288.11319	1.8
299.05215	0.6
323.51004	0.5
347.14984	1.4
351.10733	1.3
369.11807	1.8
416.10364	0.7
630.24023	0.9
630.33844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
55.27027	0.4
55.55409	0.4
65.03941	1.1
67.05483	0.6
67.18295	0.4
69.03429	0.9
70.06581	1.8
71.61044	0.6
72.08146	0.7
77.03949	0.7
79.05485	0.5
81.03413	1.7
81.07051	1.0
85.02897	1.0
86.09707	1.0
89.03898	0.8
91.05488	17.5
93.07011	1.0
95.05008	0.6
95.08612	0.7
97.02883	1.0
98.12384	0.4
99.04497	0.5
103.05472	1.1
105.07058	1.1
105.56459	0.4
107.04957	0.7
109.02890	1.2
119.04951	28.2
120.08092	1.5
121.02869	0.9
121.06523	0.5
123.11707	0.7
127.03911	0.7
131.04935	0.9
132.02084	1.1
135.04399	0.8
137.06006	1.3
145.02803	1.1
147.04424	22.6
147.11667	0.5
149.02365	0.7
149.06012	0.9
157.03954	3.0
157.09821	0.5
161.06006	1.0
163.03900	0.8
164.04636	0.9
166.08643	0.8
167.07062	4.4
175.03918	39.9
177.05463	3.7
179.07013	2.6
192.04195	1.4
193.12315	0.7
207.06541	100.0
208.06825	1.0
209.08098	2.1
225.07603	0.8
227.09166	0.9
257.17490	1.2
279.08612	0.9
288.11319	1.8
299.05215	0.6
323.51004	0.5
347.14984	1.4
351.10733	1.3
369.11807	1.8
416.10364	0.7
630.24023	0.9
630.33844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.7
57.07079	30.9
59.05005	0.9
67.05499	1.8
69.03438	0.7
69.07058	2.5
71.08634	23.2
73.02927	0.6
73.06560	7.8
79.05501	1.4
81.07050	2.3
83.04980	0.7
83.08639	2.8
85.10185	21.0
87.04468	7.3
89.06036	100.0
91.05476	2.1
91.07613	1.0
91.43317	0.7
93.07069	1.8
95.04943	0.6
95.08608	1.7
95.45521	0.5
97.10159	4.1
99.11741	3.4
105.07037	1.4
107.07076	2.4
109.06525	0.7
109.10149	1.1
111.11765	0.9
113.13294	1.6
117.09135	7.3
121.10162	0.7
130.08644	1.9
131.07062	2.0
131.08583	0.8
133.08609	52.4
135.10194	1.3
135.11746	1.0
145.10136	0.6
147.11746	0.8
155.08556	0.7
155.17950	4.4
161.11768	2.2
173.11855	0.7
175.09700	1.2
177.11237	22.2
181.57718	0.5
186.42599	0.5
199.20607	3.9
221.13797	4.4
239.14804	1.0
243.23245	8.8
265.16525	1.3
283.17575	1.5
287.25766	5.0
327.20215	0.8
398.03085	0.8
415.25525	1.1
419.48517	0.7
459.27997	1.3
489.35788	0.7
613.45569	4.6
630.48071	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	634.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03951	0.3
55.05512	0.4
56.96582	0.3
63.02372	0.3
65.03944	0.6
67.05501	0.3
69.03436	1.7
69.07076	0.3
70.06609	1.3
71.60047	0.4
72.08162	12.3
73.06561	0.4
77.03951	0.2
78.04682	0.3
79.05495	0.5
81.03426	2.1
81.07047	0.7
84.04530	0.4
85.02923	1.9
85.90059	0.3
86.09733	0.4
87.00863	0.3
89.03920	2.6
90.09202	1.1
91.05486	9.2
93.07053	0.4
95.04982	0.3
95.08620	0.3
96.04573	0.2
97.02909	1.1
99.04459	0.6
105.01861	0.5
105.03379	0.4
105.07042	0.5
109.02886	1.8
109.10167	0.3
117.03387	10.6
119.04952	12.6
121.06560	0.3
127.03918	1.9
131.04950	0.3
134.03650	0.8
135.04434	1.1
145.02858	44.5
145.10159	0.2
146.03288	0.3
147.04414	11.5
149.02344	0.6
149.05978	4.1
151.07448	0.2
157.03987	0.9
163.03912	0.7
165.09123	0.3
167.07071	0.6
175.03922	20.5
177.05478	100.0
178.05826	0.8
179.07094	1.3
186.05502	0.6
191.07115	0.3
202.91713	0.3
207.06540	35.5
208.06830	0.3
225.07690	0.4
248.12898	0.5
266.13892	31.3
291.08340	0.2
351.10776	2.3
357.08145	0.4
364.63300	0.3
369.11826	5.3
375.09268	0.3
456.51602	0.2
458.20120	0.3
554.70435	0.3
634.27960	0.4
635.28632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07742	0.2
55.05501	0.8
56.96561	0.3
57.03425	0.3
66.24503	0.2
67.05504	1.8
69.03426	0.4
69.07059	0.5
71.36053	0.6
77.79524	0.2
78.02267	0.2
79.05479	0.7
81.07042	1.1
91.05467	0.7
93.07043	0.6
95.04929	0.3
95.08596	1.0
97.10183	0.4
98.98476	2.3
105.07034	0.5
107.08598	0.5
109.10155	0.8
111.04362	0.3
118.06559	1.7
119.08590	0.6
119.12698	0.2
121.10164	0.4
125.00015	7.3
131.08589	0.5
132.08075	0.5
132.52025	0.3
133.08954	0.3
133.10146	0.3
144.08099	8.6
145.08841	0.3
146.09618	0.5
152.62451	0.3
158.09650	3.7
159.10475	1.9
160.11168	0.6
172.11232	3.1
173.11888	0.5
176.14352	11.0
184.07381	0.3
187.25262	0.3
202.15923	88.9
203.16284	0.5
220.14816	0.6
220.16980	10.2
300.13617	100.0
301.13910	1.1
357.26788	0.3
417.57431	0.3
618.39276	1.5
636.40576	4.2
637.26392	1.0
647.46051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62077	0.2
53.03954	0.4
55.01875	0.9
55.05520	0.3
57.03428	0.4
58.99575	0.8
61.91426	0.2
65.03936	0.3
67.05495	0.8
69.03421	0.4
69.07078	0.2
71.13782	0.3
71.14122	0.2
75.20359	0.2
76.02238	0.5
77.03927	0.3
79.05499	4.3
81.03419	0.6
81.07051	0.8
83.06070	0.3
84.04510	4.3
85.02890	0.4
86.99042	0.2
89.03912	0.2
91.04954	0.3
91.05484	2.9
92.06258	0.2
93.03401	0.3
93.07067	0.9
94.04198	0.3
95.05006	1.0
95.08584	0.4
97.02885	0.2
97.06538	0.3
100.02235	0.2
103.05478	3.9
104.06252	0.5
105.00072	0.4
105.07037	20.3
107.04956	2.5
107.08582	0.5
109.02852	0.2
109.06498	0.9
109.10159	0.7
111.04457	0.4
115.05460	1.1
117.07026	0.7
118.04168	2.5
118.06612	0.2
118.07481	0.2
119.04942	1.1
119.08598	0.5
120.05713	0.7
121.06508	1.7
121.10116	0.5
122.02748	3.1
122.03596	0.3
122.07301	1.2
123.04482	0.2
123.08084	0.4
124.05206	0.7
125.00529	0.2
127.03968	0.3
130.04976	2.1
131.04936	0.6
131.08563	0.3
132.01117	0.3
132.05696	1.2
133.06499	18.2
133.10118	0.3
134.07246	0.6
135.02631	0.2
135.04402	1.4
135.08066	2.3
135.11642	0.2
137.04218	0.9
137.05974	6.7
137.09593	0.3
142.03214	0.7
145.06467	0.3
146.02686	0.5
146.06073	0.3
147.02621	0.4
147.04436	0.5
147.08073	0.4
147.11682	0.3
148.05148	1.1
149.06007	0.7
150.01390	1.2
150.06770	7.1
151.07507	0.6
161.05978	0.3
163.07507	0.3
163.11176	0.3
165.03738	1.8
165.09129	15.0
167.07097	0.5
175.07558	0.4
177.05492	0.4
178.06284	1.0
181.08585	0.4
188.03793	0.7
193.03300	2.8
193.08615	100.0
194.09259	1.6
195.04750	0.5
195.10234	0.3
199.07140	0.2
209.10411	0.3
210.11301	0.8
225.05817	0.9
227.07405	1.0
229.14346	0.2
234.04333	0.6
249.05470	0.8
251.06978	7.3
260.32654	0.2
293.75858	0.2
294.45135	0.2
314.10593	3.6
314.13937	0.2
349.02188	0.2
440.27057	0.7
443.14819	1.3
475.26907	0.2
481.28476	0.2
512.73962	0.2
665.08606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22484	0.2
53.03934	0.8
55.01857	1.0
55.05500	0.5
56.92883	0.3
58.99577	0.4
64.71659	0.2
65.03931	0.3
65.47426	0.2
66.04700	0.5
67.05506	1.5
67.25140	0.2
69.03429	0.5
69.07070	0.4
71.20396	0.3
76.02212	0.5
77.03921	0.5
79.05492	4.9
81.03419	1.2
81.07046	0.9
83.08597	0.3
84.04510	4.1
85.02890	0.8
91.05483	3.2
92.06290	0.3
93.07056	1.2
95.04980	1.4
95.08607	0.7
97.02890	0.4
97.10166	0.3
100.02199	0.3
102.05553	0.2
103.05468	4.5
104.06269	0.6
105.00080	0.6
105.07035	20.8
106.07376	0.3
107.04955	2.6
107.08584	0.8
108.05778	0.4
109.02859	0.4
109.06511	1.0
109.10142	0.9
115.05456	1.5
117.06993	0.8
118.04164	2.6
119.04934	1.1
119.08557	0.5
120.05721	0.8
121.06528	1.6
121.10115	0.4
122.02763	3.0
122.03615	0.3
122.07263	0.9
123.08044	0.7
124.05194	0.5
125.05997	0.3
127.03969	0.3
130.05005	2.3
131.04944	1.0
131.08521	0.3
132.01152	0.5
132.05722	1.2
133.06496	16.6
133.10146	0.7
134.07248	1.0
135.04408	1.2
135.08064	2.3
137.04201	1.0
137.05969	7.6
142.03194	0.5
145.06377	0.3
145.10156	0.4
146.02733	0.6
147.02724	0.3
147.04370	0.5
147.07994	0.5
148.05168	0.9
149.05960	0.8
149.07117	0.2
150.01340	0.9
150.06764	6.8
151.07547	0.5
151.11226	0.3
161.05934	0.5
165.03703	2.2
165.09123	14.3
167.06985	0.4
175.03249	0.2
175.07622	0.5
177.05438	0.4
178.06247	1.3
181.08505	0.5
188.03789	0.6
189.09058	0.4
193.03287	2.8
193.08611	100.0
194.09259	1.5
195.04715	0.6
195.10280	0.3
205.12320	0.4
209.08067	0.3
209.10313	0.4
210.11296	0.8
225.05759	1.1
227.07399	0.9
234.04364	0.3
249.05450	0.9
251.06993	7.9
257.58765	0.2
314.10544	4.2
351.44733	0.2
383.22418	0.4
443.14804	1.2
457.25894	0.7
475.26926	1.1
637.35742	0.3
658.83618	0.2
658.96692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28788	1.4
58.00335	1.6
67.05498	4.0
69.07058	2.0
71.60567	1.5
72.72148	1.3
73.86089	1.4
79.05502	2.3
81.07061	3.4
83.08628	3.1
91.05495	1.8
93.07027	1.6
95.08585	3.3
103.97400	1.3
105.07047	1.8
107.08598	1.5
109.10145	2.6
119.08549	1.6
121.10138	1.7
126.97353	1.3
137.82245	1.5
145.10132	1.8
151.56900	1.6
262.59363	1.7
377.17358	2.7
378.19040	1.8
387.15985	2.1
391.19394	3.4
392.20029	3.4
393.20789	4.7
401.17780	4.0
407.22217	7.7
414.18521	4.1
415.19376	4.7
416.20422	2.0
421.19894	3.3
428.19962	4.1
429.21521	7.6
430.21295	1.8
435.21811	5.2
441.17319	1.9
443.18237	3.3
443.23215	2.5
444.19516	4.4
445.20551	2.1
447.18088	3.3
456.19244	2.9
457.20374	4.8
461.19574	1.9
471.22470	7.6
473.19965	3.3
474.20822	3.8
485.19806	2.8
486.20526	5.7
487.21097	4.3
489.19116	3.0
489.23611	1.8
490.19897	4.8
491.20850	2.1
499.21353	11.9
500.22333	2.0
502.20465	2.5
503.20963	2.1
503.24359	2.1
513.19379	5.6
516.21606	3.0
517.22357	15.0
521.25433	2.8
529.21997	2.3
531.24420	10.0
549.25262	9.0
559.23419	75.2
561.01605	1.6
577.24652	2.1
587.22827	13.7
591.25781	5.0
605.24182	9.2
619.25537	68.0
620.25549	2.4
637.26550	100.0
637.42896	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29633	0.4
55.05474	0.4
56.76273	0.5
59.34190	0.4
67.05452	0.6
68.60381	0.5
69.03403	0.5
69.88506	1.7
69.88908	0.8
79.05493	0.5
81.03358	0.5
81.07004	1.1
83.08563	0.5
91.05430	0.5
93.07008	0.7
95.08582	1.0
108.88503	0.4
110.66597	0.4
176.75447	0.5
209.10901	0.6
334.13367	0.5
362.16721	0.6
372.14395	0.6
374.16595	0.9
375.16818	0.6
376.16928	0.5
377.17661	1.0
378.18359	1.0
385.15213	0.7
386.15277	1.2
387.16486	1.2
388.17435	0.8
389.17923	0.6
391.19107	1.5
392.19870	1.2
393.20850	2.0
397.14993	0.5
398.16705	0.5
399.16013	3.0
400.16977	3.1
401.17770	3.6
402.18848	0.8
403.19333	0.9
405.20840	1.1
407.22440	2.7
413.17804	3.0
414.18649	4.3
415.19458	8.3
416.19836	1.4
417.20953	0.9
421.20258	2.5
425.17368	1.5
427.19272	1.7
428.20474	4.2
429.15878	0.6
429.21365	8.1
430.21777	2.4
431.18558	1.0
433.20264	0.7
435.21692	1.9
438.18066	0.6
439.19440	0.8
441.16937	1.3
442.17950	1.7
443.18442	4.8
443.22818	3.2
444.18607	4.8
445.20441	2.5
446.21130	0.5
447.17978	1.0
455.19019	0.9
456.19458	1.9
457.20612	5.1
458.21246	4.5
459.22360	0.8
467.18765	0.6
470.17038	1.0
471.22424	8.5
472.23114	5.8
473.19424	4.9
474.20795	1.1
475.17184	0.7
484.18985	1.1
485.19830	2.9
486.20547	6.6
487.21368	2.5
488.22061	1.5
489.22748	2.1
490.19736	3.6
499.21378	10.7
500.22870	3.2
501.22568	0.7
502.19955	1.4
503.24820	3.9
513.19153	1.6
514.20038	0.8
516.21289	1.4
517.22333	3.5
527.20795	2.6
528.21295	1.3
531.24023	12.4
541.22443	0.9
543.23889	1.3
545.21539	1.1
549.25024	0.8
559.23456	100.0
560.23889	2.5
561.85284	0.6
587.22906	16.9
588.23639	0.7
619.25549	99.4
620.25616	2.7
637.26672	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89951	0.8
69.07068	1.1
79.05504	0.7
82.64570	0.7
136.28723	0.8
170.71878	0.8
246.28703	0.8
390.19400	1.1
401.17825	1.0
403.19266	1.1
404.19870	1.0
415.19366	1.4
416.20163	1.3
417.21265	2.0
419.22644	1.4
429.16605	1.2
429.21487	1.5
429.35742	0.8
430.17963	2.5
431.18716	3.1
432.23474	1.2
443.18716	2.8
444.19543	3.3
445.20065	10.2
446.21207	2.5
447.22006	2.0
458.21048	8.8
458.26782	1.2
459.21777	7.0
460.22903	6.7
461.19696	3.2
475.21176	2.7
476.22461	1.4
477.22958	2.3
491.24304	1.6
517.22015	1.4
518.23126	5.5
531.23749	1.0
533.25635	3.7
545.25385	1.5
546.26373	1.8
549.25128	1.2
560.24719	1.2
577.27960	2.6
605.27625	12.1
637.30231	100.0
638.30304	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	1.0
71.32716	0.7
71.33057	1.3
81.07015	0.9
82.15802	0.7
95.08585	0.8
95.46391	0.7
96.48830	0.7
98.07105	0.7
99.05588	0.9
109.10168	0.9
110.51830	0.6
116.62210	0.7
121.10092	0.9
133.10077	0.7
172.84308	0.7
220.36742	0.6
257.58762	0.7
376.17377	1.1
377.17685	0.9
388.18042	0.9
389.18665	0.9
390.18582	1.3
391.19165	2.6
392.19931	1.3
399.16318	1.9
400.17258	1.9
401.17728	2.6
403.19604	0.9
404.20746	1.6
405.13525	0.7
405.15985	0.8
405.20718	6.1
406.21619	6.5
413.17545	2.3
414.18414	3.1
415.19406	6.2
416.20123	0.8
417.20731	1.5
419.17938	1.1
419.22531	2.4
420.23291	5.7
421.23972	10.8
427.19403	2.4
428.20227	4.2
429.20898	14.2
430.21637	2.7
431.17972	1.2
431.22861	1.8
433.19919	2.5
433.24210	2.4
434.24829	2.6
441.21350	1.1
442.21634	2.0
443.22461	9.8
444.23730	4.6
445.19800	5.4
446.21167	1.5
447.17487	1.2
448.22424	0.9
452.22131	1.3
455.18857	1.1
456.18951	1.1
457.24963	3.2
458.24875	8.5
459.22083	8.8
460.22726	6.0
461.19427	10.6
470.21109	2.0
471.21951	1.2
472.22672	8.9
473.18527	1.1
473.23499	2.8
475.20947	3.3
476.22021	8.7
477.22290	0.9
485.23599	14.9
486.19220	1.4
486.24243	3.7
487.21390	2.7
488.22363	5.2
489.22839	1.6
492.25674	1.0
499.21555	1.6
500.21982	1.8
501.21988	0.7
502.23572	1.1
503.24390	24.0
504.21368	0.8
507.26620	0.9
513.22900	3.7
514.23682	2.1
517.25952	11.3
519.24225	1.1
529.26038	2.5
535.27081	30.1
545.25507	90.5
546.25732	2.3
549.24341	0.9
563.26563	5.0
573.24982	20.8
577.27942	1.2
578.28461	3.0
605.27606	79.9
606.28210	2.7
637.30212	100.0
638.29993	4.4
667.71527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
55.01861	12.9
55.05512	29.8
56.96545	3.2
57.03428	13.1
59.05018	3.2
61.02946	3.9
67.05507	46.8
69.03428	29.0
69.07072	14.5
69.37677	6.5
69.38089	21.5
71.04990	10.7
79.05497	45.7
81.03418	100.0
81.07047	38.6
83.01320	5.3
83.04500	4.6
83.04967	29.0
83.08635	23.0
85.02904	30.5
85.06533	10.2
91.05483	45.6
93.07042	41.5
95.04973	29.8
95.08606	22.1
97.02904	24.1
97.06530	11.1
97.10164	10.4
99.04444	9.9
103.05422	3.3
105.07042	27.5
107.04958	16.6
107.08602	25.7
109.02888	31.3
109.06501	11.4
109.10162	15.6
111.04459	17.9
111.08099	14.7
115.05457	4.5
117.07040	15.7
119.04962	6.8
119.08588	22.2
121.06486	8.5
121.10149	21.4
123.04456	6.8
123.08057	8.5
125.09624	10.3
127.03920	16.6
128.06230	4.6
129.05516	3.7
129.07004	8.8
131.04944	4.2
131.08582	15.4
133.06503	4.3
133.10123	16.6
135.08049	4.5
135.11696	14.8
136.13690	3.3
137.05952	4.1
143.08514	8.2
145.06427	4.7
145.10138	15.1
147.04422	10.4
147.07986	4.4
147.11646	15.5
149.09615	9.3
153.12711	8.7
157.10126	12.1
161.05881	4.5
163.03934	4.2
163.11183	23.8
165.09038	4.9
165.12701	4.0
167.07076	4.6
171.08119	3.7
172.52396	2.9
173.04411	3.2
173.09615	7.0
175.11151	9.3
177.05486	5.0
181.12263	10.0
189.11226	4.3
189.12823	3.8
191.10699	10.0
193.12250	30.0
195.14169	3.2
209.11751	10.2
211.13275	41.1
213.12881	3.6
227.12776	21.0
229.14403	6.7
230.14803	3.5
249.14906	3.3
265.14011	3.8
267.15967	9.5
273.14911	6.9
283.15347	9.6
295.36014	3.2
355.17633	7.6
383.22314	8.8
401.23120	6.0
411.19357	3.5
427.18738	3.8
440.27213	5.2
457.25803	7.7
475.26813	29.2
493.27829	13.0
517.28027	4.0
544.63660	3.2
619.30927	9.5
637.22852	3.8
637.32245	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.5
55.05261	4.0
55.05514	60.2
57.03447	18.9
57.07076	27.7
64.94021	4.3
65.03938	5.1
67.05502	64.0
69.03422	4.0
69.07069	68.3
69.64858	27.9
70.20545	3.8
71.08612	15.4
79.05489	45.6
81.03418	7.9
81.07062	65.5
83.04980	11.4
83.08620	55.9
89.06036	7.8
91.05482	43.8
93.07050	63.2
95.04963	13.0
95.08601	30.4
97.06532	10.5
97.10163	31.1
105.07031	36.6
107.04945	9.1
107.08588	33.9
109.06484	6.0
109.10146	18.1
111.08061	5.4
111.11710	8.1
117.07030	18.6
119.08569	24.1
121.10136	18.2
125.09591	7.2
129.07011	8.8
131.08543	19.3
133.10112	21.8
135.08032	4.7
135.11708	9.1
137.09491	5.4
145.10097	12.7
147.11670	10.9
149.13287	12.8
157.10104	7.2
159.11740	8.9
161.13213	6.1
163.11244	4.5
177.12727	4.2
220.82376	4.1
237.22168	5.3
255.15961	9.2
257.19019	6.1
269.17456	10.6
271.23785	6.2
275.20010	24.7
289.17743	6.8
311.25827	81.4
349.23642	26.2
377.98206	4.7
464.73483	4.4
465.36462	5.2
491.37497	26.8
505.38867	100.0
545.41870	4.9
585.44836	17.7
603.46674	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	638.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40781	2.4
55.01882	7.6
55.05513	20.7
57.03429	11.6
57.07083	38.9
67.05168	3.8
67.05508	39.5
67.48531	2.6
67.86945	2.8
69.03425	9.7
69.07078	30.9
70.90095	4.1
70.90416	4.6
71.04992	3.2
71.08636	27.0
77.63824	2.8
79.05497	25.2
81.03388	3.4
81.07061	33.5
83.04970	6.2
83.08630	16.6
85.10184	9.9
91.05478	17.9
93.07043	19.3
93.74916	2.4
95.04961	8.8
95.08611	26.5
95.98313	2.4
97.02914	7.1
97.06539	4.7
97.10194	16.5
105.07037	19.2
107.04976	7.9
107.08598	12.5
109.06518	6.7
109.10167	19.4
117.07037	7.2
119.08582	14.0
121.06555	3.9
121.10152	4.1
123.08076	3.2
125.09622	8.1
131.08565	7.3
133.10159	12.8
135.08083	2.9
137.09566	3.2
145.10120	4.6
147.08028	6.3
151.11143	2.7
157.10153	3.5
159.11691	3.0
173.82953	2.5
223.13300	21.8
227.12592	3.2
253.14355	12.2
257.24783	3.1
273.18381	13.2
291.19562	100.0
313.27383	73.6
347.22156	3.6
365.23260	37.0
603.46265	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03943	0.5
54.24184	0.3
55.01887	0.6
55.05508	0.8
58.06607	0.5
60.04543	0.4
62.54353	0.3
64.39903	0.3
64.71175	0.3
65.03944	3.0
67.05511	1.3
68.01713	0.3
68.46362	0.3
69.03432	1.3
69.07082	0.4
70.06598	1.2
71.05001	0.4
71.11040	0.6
72.08155	0.5
74.06065	0.6
76.03172	0.5
77.03938	1.2
79.05509	1.3
81.03437	2.2
81.07072	1.9
82.23998	0.3
83.04983	0.3
83.08621	0.4
84.04514	0.3
84.08178	0.5
85.02918	2.1
86.06079	0.7
86.09702	0.6
88.07666	0.3
89.03917	1.2
91.05487	32.2
92.05832	0.4
93.07064	1.3
94.88627	0.3
95.04982	1.0
95.08607	1.5
97.02907	0.9
97.06547	0.4
97.10155	0.4
98.97590	0.5
99.04479	0.4
103.05479	1.3
105.03404	0.4
105.07047	1.4
107.04982	1.1
107.08605	0.9
108.05761	0.5
109.02891	1.2
109.06530	0.5
109.10177	1.1
110.07256	0.4
115.05443	0.4
117.03392	0.3
117.07021	0.9
118.04176	0.7
119.04951	44.6
119.08562	0.8
121.02876	3.5
121.06586	0.5
121.10183	1.2
123.04438	0.4
127.03927	0.6
129.03383	0.9
129.04507	0.4
129.06975	0.4
130.06557	0.6
131.04936	0.9
131.08586	0.4
132.02069	1.9
133.02899	0.7
133.10144	0.9
135.04445	1.1
135.11717	0.3
136.05182	0.6
137.05997	1.0
139.03873	0.4
139.08609	0.3
145.02872	1.4
145.06516	0.8
145.10167	0.6
146.03627	0.7
147.04419	36.3
148.04836	0.4
149.02351	2.4
149.06017	0.7
149.13283	0.4
151.03934	0.5
153.01842	0.4
157.03969	4.5
159.11705	0.5
160.01620	0.4
161.06004	0.8
162.03137	0.5
163.03896	1.3
163.85742	0.3
164.04672	1.2
165.01833	1.0
165.09088	0.7
167.03404	0.7
167.07060	0.6
173.06035	0.4
175.03917	57.8
176.04433	0.5
177.01921	0.7
177.05482	1.1
179.07022	3.7
181.04961	0.5
189.05536	0.5
192.04207	0.7
193.08598	0.4
205.04988	0.4
207.06538	100.0
208.06915	1.0
217.05008	0.7
237.02943	0.4
239.07091	0.4
249.07658	1.6
263.38568	0.3
267.06519	3.2
270.05225	0.9
271.06042	5.2
281.08157	0.6
283.06024	10.9
284.06787	1.4
287.05420	0.5
295.06021	10.9
295.09335	0.7
297.07559	0.6
307.05997	0.6
308.25745	0.3
309.07520	3.0
313.07071	13.1
315.05115	2.6
321.07681	0.4
323.05640	0.6
323.08908	2.0
325.07129	0.4
329.06390	0.4
331.08139	9.2
333.07831	0.7
337.07065	7.3
349.07068	1.6
351.08771	0.6
355.08133	0.5
356.08789	0.4
361.07059	1.4
367.08154	3.1
372.27322	0.6
373.27286	0.4
379.08188	4.9
384.07593	0.4
390.28204	0.8
391.28589	0.7
397.09106	2.5
402.08789	0.7
415.10303	5.8
433.11264	6.1
501.11856	1.9
519.12817	0.4
585.15179	0.4
639.18329	0.6
639.30945	0.5
661.77686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1921
Annotation	Dillenetin 3-rutinoside
Peak:m/z	Relative Intensity
57.03387	0.1
61.28259	0.1
67.10458	0.1
69.03354	0.1
69.75282	0.4
71.04999	0.6
83.04968	0.1
85.02901	0.9
90.22795	0.1
97.02866	0.1
98.20694	0.1
113.81570	0.1
115.71734	0.1
127.71165	0.1
129.05452	0.2
130.06485	0.1
137.02304	0.1
151.73322	0.1
153.01825	0.6
154.02586	0.2
157.84633	0.1
163.03865	0.1
172.07579	0.1
178.02634	0.4
179.07062	0.1
203.03395	0.1
205.04893	0.1
213.05547	0.1
214.06346	0.1
241.05043	0.3
242.05734	1.8
253.04930	0.1
255.02792	0.1
258.05246	1.7
269.04422	0.2
270.05240	8.2
271.05835	0.2
273.03888	1.0
285.03940	0.1
286.04700	1.4
287.05490	3.6
288.06119	0.1
298.04718	0.2
299.05576	0.7
301.03430	1.8
302.04190	2.1
302.07507	0.2
313.03470	0.7
315.04984	31.3
316.01917	0.1
316.05719	4.1
331.08115	100.0
332.08487	1.9
368.57196	0.1
373.09491	0.1
374.06924	0.1
493.13409	0.3
546.61603	0.1
566.76959	0.1
639.19537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47709	2.8
56.47762	3.8
59.37413	3.5
71.61042	4.1
74.63436	3.2
88.21918	3.8
224.13179	3.4
239.11685	3.9
266.14139	3.7
269.16443	4.2
275.61386	3.5
355.12946	4.5
429.17255	4.2
444.19080	5.7
445.20328	9.1
459.21707	36.3
460.22653	6.1
461.23111	4.3
547.26465	11.4
561.24603	5.3
579.25885	8.2
580.25861	4.8
589.24548	4.2
606.28326	100.0
606.38153	4.8
607.25977	19.5
611.28278	16.0
621.26361	4.0
624.24603	4.6
639.27942	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.35116	1.8
67.05518	3.6
69.07069	2.2
69.59475	12.8
77.16006	1.6
78.55176	2.0
79.05473	2.2
81.07055	4.4
81.39179	1.7
82.12215	1.6
84.83117	1.8
87.17509	1.8
91.05476	2.3
91.63959	1.7
95.08645	2.4
98.20706	2.3
105.07063	2.1
107.08570	1.7
234.64005	1.7
335.67783	2.0
377.17917	2.3
390.18405	2.2
391.19437	5.3
392.20139	5.6
404.20200	2.9
405.20941	12.2
406.21597	7.7
407.22318	15.9
419.22473	6.8
420.23172	5.8
421.17944	3.0
421.23743	19.5
422.24774	3.3
423.31281	2.1
433.24173	3.4
436.19370	2.8
447.21655	2.6
449.19894	3.6
451.21387	13.7
452.21970	4.0
465.22922	23.0
466.23648	3.7
487.22153	3.5
494.37061	2.5
501.23160	3.2
503.24292	13.2
507.27737	10.2
508.27850	4.5
523.23615	7.2
535.26917	17.1
537.24884	12.8
551.26636	6.5
552.27448	29.7
561.24860	3.9
579.26068	11.8
580.26892	4.9
595.29346	6.4
621.27240	22.6
639.28143	100.0
640.28961	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	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.7
55.01867	4.6
55.05304	1.4
55.05516	19.1
57.03426	7.3
59.04989	1.4
65.03939	3.6
67.05511	26.4
69.03421	17.2
69.07082	9.6
70.06602	2.2
70.76033	4.0
71.04993	4.8
73.02924	1.7
78.81036	1.5
79.05496	32.4
81.03424	100.0
81.07063	35.5
83.04986	22.6
83.08628	19.8
85.02914	22.5
85.06535	3.9
85.07005	1.6
91.05488	37.3
93.07053	21.7
95.04975	28.5
95.08613	18.4
97.02891	16.6
97.06528	7.7
97.10168	7.0
99.04440	5.0
103.05479	1.9
105.07028	27.2
107.04955	11.7
107.08615	12.1
109.02881	16.7
109.06540	7.7
109.10171	8.9
111.04442	11.5
111.08093	8.8
113.06005	2.0
115.05372	3.5
117.07008	6.1
119.04932	5.4
119.08596	23.0
121.02839	1.6
121.06500	6.1
121.10149	16.5
123.04424	3.4
123.08080	4.5
123.11695	5.2
125.09618	5.3
127.03922	10.5
128.06216	1.8
129.05498	2.3
129.07014	15.3
131.04951	2.5
131.08583	15.1
133.06483	7.2
133.10138	9.3
135.08118	2.7
135.11690	4.9
137.05980	3.3
137.09622	3.4
142.07787	3.1
143.08580	2.2
145.06493	3.5
145.10130	7.5
147.04419	5.3
147.08011	4.4
147.11708	19.9
149.06091	1.9
149.09676	9.4
151.03876	1.8
151.07623	1.9
153.12743	3.1
157.10152	13.6
159.08145	1.7
161.06036	2.0
163.03906	4.9
163.11186	4.7
165.05373	1.8
165.09145	4.4
165.12738	5.7
167.07016	3.2
167.08385	2.0
173.04491	3.3
173.05861	1.6
173.09618	3.1
175.11205	11.8
177.05490	4.1
181.04922	2.6
187.03908	2.0
189.09166	2.3
189.11139	2.3
191.10623	3.6
193.12259	49.4
195.06433	2.2
207.06583	4.4
211.11292	2.9
211.13304	56.8
211.15251	3.6
213.05400	2.7
215.14293	1.6
219.17239	1.8
227.06725	1.8
227.12834	4.6
267.13647	2.1
267.15945	17.9
273.15036	2.1
285.17093	12.9
301.14334	6.3
315.04886	5.6
319.15387	2.2
331.08096	19.1
337.16531	4.0
355.17636	2.7
367.22580	3.7
385.23715	4.7
393.19128	2.2
411.20032	5.5
429.19177	3.4
459.26334	9.4
477.28061	13.5
495.29605	17.7
560.86011	2.2
565.27728	2.0
585.30615	2.8
593.59277	1.8
603.31458	2.4
621.31995	15.5
639.33710	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84299	0.7
52.54326	0.5
55.01861	1.7
55.05286	0.7
55.05511	7.0
57.03429	1.4
57.07079	1.2
61.02920	0.9
65.03926	0.8
67.05209	0.7
67.05508	7.2
67.99809	0.5
69.03430	6.2
69.06708	1.0
69.07067	17.4
70.33566	0.5
71.04987	1.6
71.59869	1.0
79.05487	4.6
81.03418	8.8
81.07059	9.8
83.01344	0.7
83.04971	1.7
83.08620	5.1
85.02906	9.5
85.06520	1.1
87.04492	0.7
91.03920	0.7
91.05489	6.1
93.07055	6.8
95.01316	0.6
95.04978	3.7
95.08596	5.8
97.02904	3.4
97.06538	2.2
97.10172	1.9
99.00805	2.9
99.04459	1.6
103.05437	0.7
105.07040	3.7
105.98229	0.6
107.04929	1.1
107.08593	6.4
109.02876	2.5
109.06483	1.0
109.10149	6.7
111.04427	0.9
111.08072	1.3
111.11735	1.7
117.07026	1.1
119.08591	3.1
121.02872	1.3
121.06513	1.2
121.10151	2.3
123.04449	1.4
123.08070	1.0
123.11688	1.4
125.05973	1.0
125.09650	2.0
127.03940	2.3
129.07054	1.7
131.08580	2.0
133.06516	1.1
133.10138	2.1
135.04366	0.8
135.08070	0.8
135.11707	2.0
137.05980	2.1
137.09618	0.6
142.07787	0.7
143.08531	0.9
145.02831	0.7
145.06512	1.4
145.10123	1.6
147.04395	1.8
147.08073	0.8
147.11635	1.4
149.06020	0.7
149.09648	1.4
149.13278	0.7
151.07544	1.8
153.05495	0.6
153.12703	0.7
157.10156	1.8
159.11639	0.7
161.05966	1.6
161.09605	0.6
163.03911	2.1
163.07529	1.1
163.11331	1.4
165.09135	1.1
167.07011	1.2
171.08101	0.7
175.03928	1.2
175.07588	1.3
175.11240	1.9
177.05502	1.9
177.09177	1.2
181.04941	6.6
183.06590	1.9
187.11136	0.6
189.09183	1.9
191.07196	0.9
191.10718	1.2
193.08598	1.1
193.12256	2.3
195.06543	14.5
195.08200	1.0
205.08766	0.9
207.06555	2.6
209.08076	8.6
211.13197	1.0
221.08116	1.3
223.09648	9.4
231.13835	1.7
235.09641	1.5
237.11235	5.9
247.17018	0.7
249.11295	1.4
251.12717	2.9
265.14435	1.5
267.15933	2.2
270.05243	0.8
291.15955	5.6
301.14334	0.7
305.17462	0.9
307.19028	16.0
315.05032	2.2
317.17548	1.4
331.08176	7.4
337.14270	0.9
355.15335	1.2
433.25696	1.0
459.31522	11.0
477.32184	100.0
478.32373	1.6
621.31384	1.1
639.36554	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	639.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96143	0.3
55.05510	3.3
57.07066	0.9
58.06334	0.5
58.06598	5.8
61.15780	0.3
67.05501	1.8
69.07063	1.2
69.28904	0.7
69.29307	2.8
69.76344	0.3
69.83537	0.3
70.06579	0.7
72.08154	12.8
73.06561	1.8
78.50854	0.3
79.05495	1.3
81.07080	1.7
83.04966	1.8
83.08607	0.5
86.09704	21.1
91.05484	1.3
93.07042	1.1
95.04961	0.4
95.08575	1.0
97.06503	0.4
98.06095	0.4
100.11255	100.0
101.06020	2.4
101.11599	0.9
105.07039	1.3
107.04974	0.4
107.08592	1.1
109.06532	0.5
109.10146	0.4
115.05446	0.3
119.08577	0.6
121.10180	0.5
123.08041	0.4
128.10741	0.5
131.08577	0.8
133.10193	0.7
135.08031	0.4
135.11703	0.4
140.14340	3.9
143.08264	0.4
145.10135	0.6
146.11765	2.2
147.11659	0.5
154.12288	2.0
154.15875	0.7
156.10220	0.4
171.11687	0.3
172.13332	2.5
182.11813	0.7
182.15431	0.5
200.12871	0.4
200.16415	1.1
210.14929	0.4
211.14497	0.6
214.14417	1.0
228.15982	6.2
268.19147	0.3
273.18515	0.5
275.20044	0.7
285.21719	6.7
287.23303	0.3
289.17984	0.4
291.19598	1.3
299.23288	8.5
313.21317	0.8
327.22794	14.8
331.07858	0.3
367.26007	0.5
395.25479	1.4
412.31949	0.4
427.27963	0.4
440.31165	2.9
458.32245	5.5
482.08850	0.3
484.33691	0.5
512.33521	0.6
526.35175	0.7
540.36639	0.5
611.43781	30.6
612.43726	1.1
621.40479	0.4
639.43207	9.2
655.27808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01880	1.2
55.05511	2.3
56.05035	5.5
56.20202	0.5
56.96562	0.7
57.03436	4.9
57.87423	0.5
58.06602	2.3
59.04993	0.8
59.47326	0.5
60.04523	1.5
61.02926	1.2
61.65480	0.5
63.32573	0.6
63.98236	0.4
65.03947	0.8
67.05514	5.0
69.03430	19.6
69.07066	3.2
70.06596	8.0
71.04996	1.3
71.60320	0.7
72.04516	1.2
72.08168	1.1
73.02917	1.3
73.05303	1.3
74.02444	1.7
74.06081	100.0
75.04444	0.5
75.06399	0.6
79.05489	3.7
81.03421	4.0
81.07054	6.7
83.04990	1.1
83.08614	1.6
84.04499	0.8
84.08160	1.4
85.02908	20.6
85.06543	1.4
86.06078	2.1
86.09718	1.3
87.00850	1.1
87.04469	7.9
88.07636	3.9
90.71918	0.5
91.05455	3.8
93.07044	5.2
94.06564	1.4
95.04975	1.5
95.08605	6.4
96.08163	1.4
97.02898	11.4
97.06546	1.0
98.06059	1.3
98.97604	0.6
99.04451	1.8
100.07640	0.9
104.07133	1.1
105.01881	0.7
105.07020	2.6
107.04982	1.2
107.08590	3.5
108.08126	1.1
109.02874	3.2
109.10168	3.1
110.07180	0.6
110.09708	0.6
111.04430	0.6
111.08146	0.5
112.07611	0.7
112.40072	0.5
113.09625	0.7
115.03941	6.3
116.07085	1.3
116.98660	0.6
117.07004	0.8
118.08675	0.7
119.04978	1.4
119.08615	1.4
120.04508	0.8
120.08156	0.9
121.02898	1.1
121.06522	0.8
121.10139	3.2
122.06006	0.5
123.08038	0.5
123.11735	0.9
125.06075	0.5
127.03908	4.2
129.10321	0.6
131.04967	0.7
132.04446	0.7
133.04985	2.8
133.10133	0.9
135.11722	1.9
136.07594	0.7
137.06009	1.5
138.05513	0.7
140.07074	0.7
145.02898	1.1
145.04926	1.0
145.10135	1.3
147.04419	2.6
147.08041	0.6
147.11752	0.6
149.06030	0.6
149.09578	0.6
149.13281	0.8
161.05959	0.8
161.13304	0.7
163.03931	0.8
167.07086	1.2
175.03969	1.1
177.05513	1.9
177.16391	2.6
181.04967	1.0
191.07069	0.6
195.17505	0.6
207.06584	2.4
215.07111	0.6
270.05298	1.1
274.25385	1.2
286.04819	0.6
287.05441	0.8
292.26318	3.7
299.05344	0.6
310.27371	6.3
315.04984	4.2
316.05389	4.1
328.28455	12.0
331.08099	12.5
331.11710	1.0
332.08459	12.4
333.08810	0.7
346.29520	36.3
347.29846	0.6
356.27985	2.1
374.29123	1.9
388.30719	1.4
392.30161	2.0
392.34375	0.9
408.90039	0.5
460.32968	0.6
478.33704	4.4
479.13400	2.5
490.33881	2.5
499.16635	0.6
508.34830	25.8
550.35693	0.8
596.39954	2.1
622.38312	2.9
640.39044	89.7
641.39490	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	640.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01875	1.6
55.05512	6.5
56.05032	4.0
57.03436	8.3
57.07071	1.9
58.02958	0.9
58.06601	42.8
59.05000	1.6
60.04522	5.4
61.02924	2.1
67.05497	7.7
69.03429	31.2
69.07070	8.3
69.54324	6.8
70.06595	5.5
71.04991	1.7
71.08627	1.1
72.04517	48.7
72.08150	1.1
73.02923	4.5
74.02444	6.7
74.06082	7.0
79.05485	5.0
81.03423	7.6
81.07054	10.6
83.04974	2.6
83.08624	5.2
84.04506	1.8
84.08131	1.8
85.02904	36.3
85.06550	1.0
86.06067	100.0
86.09702	1.6
87.00832	1.1
87.04466	14.2
88.03956	1.0
88.07613	0.9
91.05476	7.3
93.07026	5.6
94.06569	1.1
95.04955	2.0
95.08621	12.9
96.08118	1.2
97.02896	24.9
97.06517	1.5
97.10171	3.0
98.06058	4.0
98.20795	2.1
99.04459	3.4
100.07643	1.7
100.11242	4.9
104.91260	0.9
105.07040	3.0
107.04948	1.6
107.08611	3.7
109.02862	5.6
109.06541	1.3
109.10120	5.1
110.06051	2.2
110.07181	1.1
110.09671	1.1
111.04438	2.7
111.08101	1.0
112.07644	1.4
114.05538	1.5
115.03934	15.4
117.07012	1.2
119.04959	2.8
119.08578	2.5
120.08066	0.9
121.02880	1.9
121.10146	4.1
123.11676	2.2
124.07617	2.0
125.09646	1.0
127.03930	6.9
128.07072	2.1
129.05510	1.0
131.04980	1.4
133.04964	12.2
133.10143	1.9
135.11673	1.8
137.06010	2.1
137.09683	1.1
137.13310	1.4
140.06982	0.9
145.02803	1.4
145.04951	2.7
145.10104	1.0
147.04410	3.1
149.05966	1.6
159.11766	1.3
163.03888	1.1
167.07025	1.0
177.05518	3.1
181.04959	1.4
181.08546	1.0
182.15401	2.9
193.08559	1.0
207.06479	4.3
209.08180	1.4
209.16634	1.0
210.14915	2.8
211.15205	1.3
221.22620	0.9
232.55748	0.9
239.23718	1.2
271.06042	2.9
272.06470	1.5
274.25378	2.3
281.17575	2.5
282.27887	0.9
292.26340	17.4
295.10406	1.2
310.27402	78.6
311.27905	1.9
315.04956	2.3
316.05353	2.2
321.24255	1.4
328.28455	97.7
329.28610	2.1
331.08319	4.2
332.08401	5.4
334.27362	1.2
338.26910	4.1
352.28494	2.7
356.24023	1.1
356.27805	7.2
370.29745	4.7
374.28787	5.8
392.30020	8.9
394.29666	1.0
404.28870	1.0
424.30887	1.7
436.30814	0.9
442.31830	1.2
460.32782	5.4
464.55719	0.9
472.32733	9.2
490.33752	40.5
491.34546	1.0
532.34875	1.3
586.35535	2.1
604.36896	6.2
622.37976	39.5
623.37830	2.2
630.95709	1.5
639.95819	1.5
640.36993	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	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.5
55.01854	5.1
55.05259	3.9
55.05510	55.2
55.86949	2.3
57.03441	16.3
57.06821	3.5
57.07076	49.3
59.04980	3.4
67.05502	85.2
69.03431	3.8
69.07069	58.7
71.04987	5.3
71.08262	4.6
71.08627	40.5
71.44926	4.5
78.22311	2.2
79.05058	3.2
79.05492	46.7
79.67730	2.2
81.03387	5.0
81.07056	76.0
83.04974	10.6
83.08620	40.0
83.24880	2.4
83.47306	2.2
85.06522	5.0
85.10163	23.3
89.06023	13.8
91.05481	42.2
93.07047	53.6
95.04977	13.9
95.08600	41.8
97.06538	10.7
97.10161	29.4
99.08076	6.0
105.07019	28.1
107.04933	5.1
107.08595	34.5
109.06538	6.3
109.10152	29.7
111.08060	5.9
111.11696	5.8
117.07011	12.0
119.08590	21.1
121.06473	3.6
121.10106	15.4
123.08049	5.4
123.11745	5.7
128.06155	2.6
129.06953	3.2
131.08574	17.1
133.08592	6.7
133.10135	14.5
135.11662	10.3
137.09599	5.0
139.11121	3.2
143.08565	6.1
144.56409	2.4
145.10114	10.8
147.11656	10.6
149.09613	4.9
149.13240	11.1
151.11192	7.0
157.10175	3.2
159.11644	13.0
161.13239	5.2
163.11151	3.0
171.11703	3.2
173.11688	3.5
173.13220	3.2
177.11301	2.8
177.12791	4.2
183.11839	2.6
185.13274	2.7
195.13812	3.8
197.13184	2.7
227.12788	15.3
229.14340	8.0
237.22189	4.0
239.23555	4.4
243.09825	2.7
255.16051	3.7
257.18924	11.0
257.86682	2.4
259.20630	4.3
267.15961	3.4
269.17502	12.3
275.20038	23.5
277.21649	7.3
311.25787	36.0
313.27332	59.0
344.73978	2.6
349.23676	18.4
351.25266	11.4
409.33026	3.3
467.37305	23.3
493.38605	9.8
500.43228	2.8
505.38916	100.0
507.40442	37.1
548.08698	2.6
587.46533	25.2
640.45117	3.5
640.62445	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01860	2.6
55.05258	1.4
55.05516	25.9
57.03439	8.6
57.07079	18.9
59.04979	0.9
65.03928	1.2
66.20218	0.9
67.05161	2.0
67.05505	27.0
69.03422	2.9
69.07071	10.8
70.06608	6.2
71.04988	2.4
71.08636	13.5
72.60767	0.9
78.62051	1.0
79.05499	25.6
81.06581	1.4
81.07060	25.5
81.21732	1.0
83.04972	1.7
83.08618	18.6
85.06570	1.7
85.10184	6.2
91.05482	17.7
93.07047	16.2
95.04960	3.7
95.08617	19.3
97.06558	1.3
97.10175	27.6
105.07043	16.4
107.04947	1.4
107.08601	34.8
109.06548	2.2
109.10152	13.5
111.08080	2.1
117.07034	7.8
119.08601	8.4
121.10159	5.4
123.08068	1.0
123.11724	4.1
125.09637	28.1
129.06998	2.8
131.08559	6.4
133.10146	9.0
134.10480	1.2
135.08063	4.2
135.11714	2.6
143.08577	1.6
143.10732	1.7
145.10146	12.9
147.11700	6.5
149.09627	3.3
149.13219	1.8
153.09082	1.4
157.10121	2.8
159.11690	4.0
161.13284	2.0
163.11174	1.0
171.10136	3.0
171.11726	2.5
173.13266	2.0
183.11670	1.7
185.13257	3.5
187.11107	1.1
189.11267	15.1
197.13228	1.0
203.14320	1.4
218.73346	1.1
219.17432	2.7
227.12796	100.0
228.13235	1.2
229.19525	1.1
239.17952	2.8
239.23642	1.0
252.15947	1.6
257.19019	9.7
267.15945	1.9
275.20090	31.9
313.27377	47.4
314.27603	1.4
331.22690	3.2
345.72641	1.2
349.23764	28.6
369.30148	1.6
483.36841	8.4
505.38779	3.1
507.39685	1.4
531.43909	1.4
564.42480	2.3
582.43866	6.6
587.46692	32.2
640.48480	1.7
643.09961	1.2
650.02661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98084	1.5
53.03951	3.9
55.01880	2.8
55.05515	19.4
57.03435	15.2
57.07080	47.2
65.03918	2.6
67.05508	56.0
69.03422	2.8
69.07072	23.2
69.88058	6.6
71.04991	2.0
71.08631	31.8
79.05499	36.5
81.03418	3.5
81.07062	73.2
83.04970	8.6
83.08627	18.8
85.06542	4.2
85.10187	18.1
89.06071	3.0
91.05486	34.4
93.07054	42.3
95.04974	7.8
95.08038	3.8
95.08613	48.2
97.06568	8.5
97.10170	11.3
98.20818	3.6
105.07040	25.1
107.04944	3.4
107.08597	23.0
109.06529	5.0
109.10154	17.9
111.08092	3.0
111.11721	2.7
117.07040	10.4
119.08585	22.2
121.06475	3.0
121.09411	1.8
121.10131	9.9
123.08086	2.3
123.11717	7.7
125.09650	2.8
129.07010	4.0
131.08586	18.7
133.10126	12.4
135.08057	2.3
135.11691	12.3
137.09624	4.1
137.13290	2.9
143.08597	2.6
145.10165	12.5
147.11691	5.2
149.09634	6.9
149.13254	8.2
151.11285	2.0
157.10143	4.9
159.11752	8.8
161.13202	2.7
163.11179	5.3
173.13287	3.7
177.12737	3.5
195.13809	5.7
197.13275	2.0
217.15886	1.9
222.49269	1.7
229.14195	2.2
229.19507	2.3
239.18007	2.9
239.23669	6.6
255.15944	13.4
257.19043	8.1
257.24786	1.9
267.15875	3.2
269.17487	13.7
275.20123	28.5
291.19543	2.4
293.21207	2.6
313.27393	81.6
331.22754	2.5
349.23831	15.9
367.24689	2.9
493.38864	18.3
507.40469	100.0
508.40796	3.5
547.43073	2.5
556.60852	1.9
587.46918	11.2
588.37787	2.1
605.47913	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	641.2974
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
52.53019	0.9
53.03945	1.0
55.01865	1.9
55.05507	4.0
57.07067	1.2
59.13287	0.9
59.79248	0.8
67.05508	8.1
69.07082	4.3
79.05505	7.0
81.07056	8.9
83.08624	2.0
85.06537	1.2
87.18696	1.0
91.05473	6.5
93.07047	5.9
95.04983	2.5
95.08616	4.6
97.06534	1.9
97.10168	1.1
98.21486	2.2
105.07031	5.8
107.04943	2.3
107.08578	2.5
109.06487	0.9
109.10120	2.8
117.06993	2.4
119.08601	4.1
120.04469	0.9
121.10162	1.7
122.09733	1.1
125.09573	1.1
131.08557	2.6
133.06516	1.3
133.10107	3.4
135.08063	1.2
140.86748	0.9
141.06955	1.3
143.08556	1.5
145.10150	2.7
147.11661	1.5
149.09589	1.5
159.11661	2.1
161.09554	1.2
161.13292	1.2
163.11247	1.0
171.11610	1.3
175.11185	0.9
177.55594	1.1
183.09102	1.3
183.11700	1.3
185.10788	1.2
209.10788	1.7
211.12338	1.9
211.14925	1.0
223.12245	2.3
224.12964	1.6
225.13870	3.9
227.11845	1.5
235.12517	0.8
237.13806	2.3
239.11794	1.2
239.15407	2.6
243.79584	0.9
249.13771	0.9
251.08397	0.9
251.15408	2.0
255.20030	1.0
261.13901	1.3
275.15039	0.9
275.20068	5.6
276.15082	1.2
289.17899	1.3
290.16440	1.8
292.17908	1.5
304.17917	1.6
305.18903	1.1
313.15573	1.9
314.13150	1.3
314.16513	1.1
316.17996	1.1
318.16132	1.6
319.16776	1.5
321.12265	1.2
330.16113	1.2
332.17377	1.4
335.25806	1.2
344.17633	1.3
346.19226	1.7
349.23703	1.3
354.12607	1.5
375.19360	1.5
382.11493	1.0
384.16980	3.5
392.19666	3.4
393.20712	2.1
401.17651	1.0
403.19290	1.4
405.21161	2.3
406.21497	5.0
407.22101	6.3
412.16504	2.6
417.21051	1.9
419.22086	3.7
420.22702	3.4
421.23865	8.2
422.24426	11.6
429.20929	1.4
433.24063	1.7
434.17511	2.3
434.24365	9.9
444.19083	4.9
447.17709	1.7
448.19363	1.6
459.21725	2.1
461.24045	1.3
462.20517	3.2
463.21323	12.1
464.21738	1.5
472.22919	1.0
473.23459	1.9
474.23669	1.0
474.46442	1.0
475.21207	4.6
476.20374	2.5
477.23239	6.0
487.24518	2.4
489.22928	2.0
491.24423	2.6
494.26334	2.4
495.27881	1.7
501.19070	1.1
508.22040	2.1
509.43390	1.1
518.23914	1.5
520.20490	2.0
523.26239	1.2
534.22601	1.4
535.22736	2.1
545.25519	7.8
547.27057	9.3
548.24017	1.2
549.25037	16.5
550.25745	5.7
559.22821	1.1
561.21454	1.7
563.26740	6.7
565.27649	2.4
566.25702	0.9
579.29572	1.9
581.27588	2.7
591.26062	55.5
592.26184	1.5
595.28754	1.1
605.27740	8.0
609.27002	20.5
623.28699	100.0
623.44220	3.3
624.29022	1.2
641.29352	14.9
641.40430	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	641.2974
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
54.84727	1.1
55.01871	1.5
55.05520	5.3
57.03432	2.1
57.07067	1.4
65.03935	0.9
67.05503	8.4
69.07066	5.4
71.04984	1.3
79.05504	9.7
81.07058	9.9
82.27268	0.9
83.04984	2.5
83.08619	2.5
85.06580	1.1
89.06049	2.1
91.05479	8.1
93.07037	10.5
94.39555	0.9
95.04964	3.1
95.08614	7.2
97.06510	1.9
97.10172	1.9
105.07045	7.8
107.05000	2.0
107.08604	8.0
109.06539	2.2
109.10157	3.8
111.04456	1.1
111.08080	1.3
117.07037	3.2
119.08597	5.9
121.06505	1.2
121.10140	4.3
123.08129	1.1
125.09680	1.5
129.06993	2.2
131.08615	5.3
133.08617	1.8
133.10115	5.9
135.11711	3.3
137.09651	0.9
143.08588	3.2
145.10138	4.5
147.11713	3.0
157.10103	1.4
159.08156	1.1
159.11702	2.2
161.13245	1.1
163.11201	2.0
165.09149	1.3
167.08653	1.1
169.10150	2.0
169.65953	1.0
169.69510	1.0
171.11684	2.3
171.27330	1.0
173.13275	1.9
188.04147	1.0
202.10349	1.0
213.16505	1.1
227.12762	1.2
259.20560	1.3
273.18277	1.3
275.20065	6.0
277.21664	2.3
285.84393	1.0
289.18027	1.9
291.19458	2.5
293.21021	1.6
295.22675	1.7
326.87952	1.1
333.24292	1.0
335.25763	1.5
349.23859	1.8
365.23663	1.2
385.15424	1.3
391.19354	1.5
401.17661	2.4
403.19199	3.5
404.20096	2.2
407.22525	1.7
415.19421	2.0
416.20078	2.4
417.20663	4.5
418.21625	3.0
421.23953	2.4
429.21280	2.2
430.21713	2.4
431.22638	5.1
433.24500	6.2
435.21777	2.9
443.22714	1.8
444.18597	1.8
445.19205	1.8
445.23923	3.6
446.24860	1.1
447.25711	2.0
449.23285	2.0
449.33990	1.1
457.19312	1.3
458.20148	1.3
459.21872	4.5
460.22232	3.8
461.19437	2.4
462.20676	5.6
463.21201	3.1
471.21429	1.3
472.22794	2.3
473.23068	4.3
474.24292	3.0
475.21451	6.5
476.21921	2.1
477.22787	17.6
485.22711	1.8
487.25131	5.3
489.22784	3.0
491.24341	3.9
500.21954	1.1
503.24146	1.5
505.25967	2.9
506.26538	2.5
515.24243	1.5
519.27319	2.4
521.22205	1.4
532.24384	1.6
535.23669	3.2
545.25555	10.5
547.27106	20.5
549.25067	16.1
550.25745	18.2
563.26221	4.4
564.26953	2.9
577.28021	2.4
579.29968	9.7
591.25983	17.2
605.27606	27.1
623.28662	100.0
623.42651	4.8
624.28699	1.5
641.29321	1.3
641.41815	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	641.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01868	7.5
55.05518	31.6
55.12062	1.6
57.03448	8.2
59.94622	1.6
61.02925	22.4
65.03938	3.0
67.05156	3.1
67.05508	48.9
69.03433	11.5
69.07072	23.3
70.06590	2.9
71.04987	5.9
71.59955	1.8
73.02918	8.1
77.03915	1.9
79.05495	50.1
81.03419	7.0
81.07060	59.4
83.04973	7.6
83.08617	19.3
85.02909	22.0
85.06539	6.6
91.03972	8.9
91.05483	66.9
93.07050	40.1
95.04989	10.3
95.08607	42.7
97.02901	13.7
97.06543	9.3
97.10159	7.8
98.95127	1.7
99.04437	2.5
99.08083	2.1
101.02374	1.9
101.11504	1.7
103.05482	3.8
105.03381	1.8
105.06361	3.1
105.07041	47.4
105.62427	1.8
107.04934	9.6
107.08592	21.1
109.02878	3.2
109.06505	9.5
109.10155	15.3
111.08092	5.6
113.06006	1.7
115.05453	7.2
116.06282	1.6
117.07024	38.2
119.04965	4.5
119.08583	24.2
121.06504	8.7
121.10121	13.4
123.08074	6.8
125.09629	5.6
127.03923	5.4
128.06244	11.1
129.07002	52.7
130.06444	1.9
130.07809	2.5
131.04942	3.0
131.08571	62.4
133.06528	7.9
133.10158	21.3
134.87257	1.6
135.08058	6.5
135.11705	7.9
137.05957	2.5
137.09618	4.5
139.11201	3.4
141.06989	20.1
141.09073	1.6
142.07764	5.6
143.08566	39.1
145.04965	3.2
145.06531	9.0
145.10120	28.5
147.04332	4.4
147.08011	10.2
147.11697	8.9
149.06018	2.1
149.09615	7.0
149.13200	3.7
151.11143	4.1
153.06978	5.4
154.07727	3.7
155.07266	1.3
155.08551	34.1
156.09485	2.0
157.06523	4.3
157.10139	27.6
159.08105	9.0
159.11687	16.6
161.09634	3.2
161.13228	2.4
163.11188	5.6
165.06952	3.1
165.12865	2.3
166.07840	3.5
167.07053	5.4
167.08589	15.6
168.09331	3.2
169.10110	14.9
171.08061	6.1
171.11673	12.4
173.09642	3.6
173.13298	5.7
175.09702	1.6
175.11235	8.1
177.05478	4.0
177.12741	6.8
178.07806	2.2
179.08569	8.1
180.09323	3.2
181.04951	5.0
181.10135	15.1
182.10913	2.1
183.11714	13.3
185.09650	5.3
185.13301	9.7
187.11197	3.0
189.12798	2.6
191.08537	1.8
193.08604	3.5
193.10153	7.8
193.12120	3.6
195.06549	4.6
195.11700	16.2
197.09669	2.1
197.13281	9.0
199.11259	4.3
199.14819	5.7
201.12770	4.9
205.10213	2.3
207.06554	3.0
207.11723	6.1
207.13614	2.0
208.12395	2.1
209.08060	2.4
209.13249	11.0
211.11169	3.6
211.14833	7.8
213.12761	4.9
215.14342	5.0
219.11737	1.9
221.13307	16.2
223.09622	2.2
223.14838	12.2
225.12823	4.2
225.16423	2.5
227.14313	4.2
229.14310	2.2
231.13826	3.4
233.15367	6.1
235.14998	9.1
237.11127	2.1
237.16460	2.9
239.14392	8.1
241.15848	4.3
245.15459	3.4
249.16545	3.6
253.15875	9.3
257.15430	6.8
259.16949	4.5
269.15393	2.1
271.16922	7.1
285.18558	2.6
305.22562	2.0
315.21249	3.6
323.23615	9.1
333.22211	20.5
341.24808	11.4
351.23193	65.2
369.19455	2.8
369.24219	55.2
387.25299	47.4
413.17664	4.3
443.27820	35.3
461.28741	100.0
463.30414	2.0
479.13257	11.1
479.28860	12.0
641.31323	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.6
53.03940	2.1
55.01863	2.6
55.05511	16.9
57.03433	5.2
57.07063	2.7
57.88916	1.1
61.02934	11.1
62.47319	1.1
65.03944	2.1
66.30392	1.2
67.05506	26.0
69.03431	15.4
69.07071	21.6
70.06611	1.3
71.04986	4.2
71.60059	2.0
73.02917	5.0
79.05490	19.2
81.03419	10.3
81.07059	39.8
83.01330	2.0
83.04989	2.9
83.08635	10.5
85.02909	22.2
85.06553	3.2
86.65753	1.2
87.04463	2.4
91.03981	6.1
91.05481	23.7
91.06004	2.4
93.07044	16.7
95.04974	6.2
95.08606	27.1
97.02893	10.8
97.06535	5.6
97.10183	3.9
99.00823	5.7
99.04469	4.0
105.07027	20.3
107.04963	5.7
107.08596	9.0
109.02903	5.6
109.06490	3.7
109.10155	11.0
111.08073	3.9
113.02450	1.6
115.05488	2.4
117.07029	15.3
119.04972	2.2
119.08579	11.2
121.02915	1.6
121.06512	4.8
121.10155	7.8
123.04465	2.3
123.08094	3.9
123.11693	5.0
127.03939	5.0
128.06212	5.2
129.07024	18.2
131.04948	1.9
131.08571	17.3
133.06497	3.6
133.10132	6.8
135.08069	4.1
135.11673	3.7
136.07599	1.9
137.06004	4.0
137.09615	1.6
137.13268	3.0
139.07587	1.8
141.06992	6.5
142.07779	2.2
143.08569	13.5
145.02817	1.5
145.06491	4.0
145.10156	9.5
147.04440	2.5
147.08076	4.0
147.11717	5.2
149.06068	2.0
149.09628	4.6
149.13326	1.8
151.07530	2.8
153.05536	2.7
153.06903	1.8
154.07758	2.2
155.07434	1.4
155.08604	11.0
157.06458	2.0
157.10158	8.1
159.08061	3.3
159.11700	9.2
161.05974	2.3
161.09598	3.6
161.13240	2.3
163.03937	2.4
163.07538	1.7
163.11205	3.7
165.06978	1.9
165.09138	2.4
167.07010	4.8
167.08585	4.4
169.10106	7.8
171.08072	2.8
171.11722	4.5
173.05954	2.2
173.09579	2.6
173.13307	1.8
175.07587	3.4
175.11192	3.1
177.05505	7.3
177.12799	3.6
179.08527	2.5
181.04968	18.0
181.10161	5.4
183.06552	7.0
183.07985	1.5
183.11673	3.6
185.09686	3.6
185.13261	2.9
187.11191	2.7
189.09114	12.8
191.06975	3.3
191.14330	1.4
193.10144	2.2
193.12161	1.3
195.06546	23.0
195.08205	2.2
195.11703	6.6
197.13246	1.9
199.14799	1.7
201.12761	2.0
207.06561	5.1
207.11800	1.9
209.08066	14.2
209.13303	5.4
211.14954	2.1
213.16470	1.7
215.14342	2.5
217.12125	1.4
219.13806	1.7
221.13290	3.8
223.09669	17.4
223.14833	5.1
225.12665	1.8
231.13887	1.8
235.09621	2.9
235.14915	1.6
237.11215	19.2
239.14322	1.8
243.13800	1.7
249.11217	10.9
251.12790	4.1
253.16058	1.4
257.15421	2.3
263.12744	5.7
265.14270	1.7
271.16956	3.8
275.16574	1.7
277.14270	1.7
293.17645	1.6
305.17456	2.3
307.18994	8.4
315.21140	2.0
316.10617	1.7
319.18954	4.4
323.23813	3.4
331.08423	1.7
333.22296	6.9
341.24643	5.0
351.23169	25.6
369.24258	19.3
387.25385	14.2
405.26416	1.4
443.27075	14.4
461.33093	100.0
462.32971	2.0
479.33911	51.1
582.56299	1.7
641.30267	11.2
641.39148	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	641.3898
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03871	1.2
53.04110	0.4
54.13791	0.4
55.01819	0.5
55.05433	8.2
55.05733	1.5
57.03382	0.8
57.06997	2.2
61.02868	0.7
65.03890	0.6
67.05418	10.0
67.06022	0.5
69.03345	2.7
69.06981	22.3
69.07397	2.7
70.06528	0.8
70.64964	0.7
71.08575	0.7
79.05402	4.3
79.05900	0.8
81.03339	1.9
81.06961	26.7
83.01283	0.9
83.04906	0.8
83.08527	4.7
83.09051	0.5
85.02811	6.1
85.06466	0.6
86.09660	0.4
91.05382	3.0
93.06947	3.1
94.23396	0.4
95.01216	1.5
95.04914	0.8
95.08614	24.6
95.09172	1.6
97.02896	2.5
97.06495	0.7
97.10068	2.6
98.97482	0.5
99.00822	6.7
99.04462	3.5
105.07038	2.4
107.04833	1.1
107.08595	1.9
109.02784	1.6
109.06426	0.9
109.10167	12.1
109.10858	0.7
111.04381	0.8
111.11655	0.9
113.02258	1.6
115.03905	0.5
115.05417	0.5
117.01776	0.9
117.06934	1.0
119.04855	1.0
119.08495	0.9
121.02752	0.5
121.06359	1.2
121.10049	1.3
123.04347	0.9
123.08021	0.8
123.11709	5.9
125.05875	1.5
127.03809	1.3
129.06920	0.7
131.04858	0.7
131.08446	1.3
133.06380	1.5
133.09999	1.5
135.04269	1.5
135.07939	1.7
135.11594	0.9
137.05978	2.6
137.13263	4.0
139.07414	1.4
140.07027	0.4
140.08513	0.4
143.08475	0.9
145.04863	0.8
145.06384	0.5
145.10020	1.7
147.04431	1.9
147.07970	0.7
147.11649	0.6
149.02299	0.6
149.06012	2.4
149.09544	0.9
151.07629	1.8
151.14758	0.6
153.05482	3.2
155.06921	1.1
157.06392	0.4
157.10078	0.6
159.04402	0.5
159.11531	0.7
161.05864	1.8
161.09485	0.7
163.03915	3.1
163.07503	2.2
163.11101	0.7
165.08983	1.7
167.07062	2.5
171.07977	1.6
171.11668	0.6
173.05829	0.5
175.07533	3.6
175.11104	0.8
177.04033	0.6
177.05479	7.6
177.09143	2.2
179.06967	1.0
179.10570	0.9
181.04962	15.8
182.05243	0.5
183.06540	5.4
185.13159	0.4
189.09122	14.1
191.07097	2.3
191.10588	1.3
193.12199	0.5
195.06544	33.2
199.05905	0.5
203.10672	3.2
205.08556	1.0
205.12187	0.9
207.06577	3.2
207.13651	0.5
209.08096	15.3
209.10097	0.7
217.08479	0.7
217.12157	0.9
219.10042	0.9
221.08118	1.9
223.09669	22.4
231.10054	1.0
231.13702	1.1
233.11693	0.9
235.09702	3.1
237.11226	25.3
243.14035	0.5
245.15283	0.5
249.11229	15.6
251.12758	7.0
252.25897	0.5
263.12823	4.2
265.14340	3.6
275.12415	0.5
277.14301	2.1
279.15909	1.4
289.14200	0.7
291.15775	2.9
293.17538	2.5
303.16061	0.6
305.17456	2.9
307.19043	4.8
317.17471	1.4
319.19058	3.3
321.20517	1.2
331.08243	0.5
333.20743	1.9
333.24091	0.5
347.21979	0.6
361.23724	1.7
375.25317	2.1
387.25308	1.2
443.31601	100.0
444.31879	2.6
461.32660	72.1
462.32959	2.1
465.39340	0.4
479.33719	29.8
480.34268	0.6
623.38074	1.4
641.39679	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	641.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01866	3.5
55.05510	8.4
56.05056	2.2
56.96567	2.2
57.03432	4.3
57.07063	2.6
58.97147	2.0
61.02922	7.3
65.03965	3.0
67.05509	21.3
69.03436	13.2
69.07072	19.8
71.04997	5.1
71.60192	2.4
73.02908	2.5
75.13692	1.9
79.05495	13.8
81.03429	12.2
81.07066	45.9
83.01373	2.6
83.04972	3.6
83.08612	6.8
85.02919	23.6
86.88965	1.8
91.03893	2.1
91.05501	16.6
91.89300	1.9
93.07012	11.4
95.04970	4.0
95.08619	26.7
97.02898	12.5
97.06548	3.1
97.10207	5.0
99.00812	8.0
99.04456	6.7
103.05485	2.6
105.07024	12.0
107.04980	3.5
107.08584	10.6
109.02885	6.4
109.06527	4.2
109.10171	18.4
111.08133	2.4
113.02334	2.5
115.03964	2.5
117.07016	7.6
119.04951	2.1
119.08604	7.9
121.06519	4.4
121.10155	5.6
123.11709	7.7
125.05965	2.2
127.03936	8.3
129.07010	7.6
131.04921	2.2
131.08612	12.8
131.90578	1.9
133.06490	3.0
133.10127	6.8
135.08028	3.3
135.11708	3.0
137.06017	5.9
137.09665	2.5
137.13252	3.5
139.07567	2.5
141.07007	2.9
143.08585	6.4
145.10138	7.3
147.04440	4.7
147.11699	4.2
149.05957	2.9
149.09662	2.7
151.07552	3.7
153.05486	3.6
155.08569	7.2
157.10156	6.9
159.11646	3.8
161.09624	2.9
161.13260	2.2
163.03937	3.1
163.07581	2.7
163.11163	2.5
165.09126	5.9
167.07063	5.9
167.08485	2.9
169.10181	3.0
171.08154	3.5
171.11699	2.5
175.07526	2.9
175.11166	3.3
177.05490	6.5
177.09088	3.8
177.12834	3.1
181.04959	21.3
183.06590	3.9
185.13362	1.9
189.09145	7.0
189.11028	1.7
191.06995	4.1
193.10349	1.8
193.12195	3.2
195.06543	44.3
195.11575	2.3
203.10699	3.9
207.06564	4.4
209.08076	26.6
209.13179	2.7
213.12723	2.1
223.09669	22.8
235.09674	3.9
237.11223	22.2
249.11230	8.0
249.25716	1.9
251.12827	11.7
263.12756	3.0
265.14398	5.9
277.14273	3.1
291.15973	3.2
293.17529	6.6
307.19183	6.4
333.22336	2.2
351.23276	7.2
369.24207	8.0
375.25208	4.5
387.25275	12.2
405.26392	100.0
406.26837	3.4
443.26337	3.2
443.31732	58.3
444.31567	2.1
446.60904	2.0
461.33038	50.4
479.33969	33.4
623.38416	4.5
641.30804	21.6
641.40918	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	641.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.96885	0.4
55.01889	1.3
55.05511	5.6
56.96568	0.5
57.03436	2.2
57.07076	1.4
61.02929	1.6
65.03928	0.9
67.05510	6.2
69.03432	6.3
69.07073	8.3
70.06598	1.0
71.05019	0.7
71.08663	0.5
73.02924	1.1
73.06615	0.5
79.05499	2.9
79.37502	0.5
81.03427	3.9
81.07060	14.8
83.01353	1.4
83.04984	0.8
83.08621	3.1
85.02913	12.8
85.06547	1.7
87.04469	0.6
91.05472	2.9
93.07056	2.5
95.01320	0.9
95.04988	1.6
95.08611	11.5
97.02905	4.7
97.06551	0.7
97.10182	2.0
99.00809	4.6
99.04475	2.8
99.08059	0.6
103.05473	0.5
105.07038	2.4
107.04972	1.2
107.08591	1.9
108.04411	0.6
109.02879	2.4
109.06577	0.7
109.10162	5.6
111.08051	0.5
111.11739	0.7
113.02383	1.1
116.06262	0.5
117.01827	0.7
117.07021	1.3
119.04983	1.2
119.08581	1.5
121.06541	0.9
121.10126	1.1
123.04379	0.7
123.08085	0.6
123.11745	2.2
125.06013	0.5
127.03924	2.7
129.06953	1.1
131.04883	0.6
131.08572	1.5
133.06497	1.3
133.10196	1.5
135.04393	0.9
135.08032	1.3
135.11661	0.7
137.05959	1.8
137.13263	1.5
143.08592	1.3
145.04993	1.3
145.06526	0.6
145.10173	1.4
147.04442	2.4
147.08069	0.6
149.06029	1.0
149.09622	1.4
151.03943	0.6
151.07552	0.8
153.05508	1.9
155.07101	0.8
157.06578	0.6
157.10164	0.9
159.08107	0.6
159.11702	0.6
161.05974	0.8
161.09624	0.8
161.13274	0.5
163.03963	1.3
163.07600	1.2
165.05484	0.6
165.09200	1.5
167.07066	2.9
171.08104	1.1
173.05989	0.6
175.07625	2.1
175.11195	0.8
177.05481	5.6
177.09073	1.1
177.12787	0.7
179.10739	0.8
180.10187	0.6
181.04974	11.6
181.06467	0.8
183.06555	4.2
189.09114	10.0
191.07031	1.7
191.10724	1.0
195.06551	20.1
203.10750	1.1
205.08626	1.3
207.06508	2.8
209.08115	9.8
217.12239	0.5
221.08177	1.0
223.09657	13.7
235.09723	2.3
237.11243	16.0
249.11243	8.9
251.12817	4.3
252.24373	0.5
261.11292	0.5
263.12726	3.9
265.14438	2.1
274.56314	0.5
277.14426	1.3
279.15887	0.8
291.15802	1.2
293.17560	1.3
305.17441	1.3
307.19034	2.4
315.05032	0.6
319.19098	1.9
331.08328	1.7
333.20660	0.9
347.22000	0.9
351.23108	0.7
361.23807	0.8
375.25345	0.8
387.25195	1.0
416.15424	0.5
417.15231	0.6
443.31821	4.6
461.32697	100.0
462.32962	2.8
479.33755	32.1
495.19916	1.2
623.38135	4.9
641.22437	0.9
641.39392	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	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01871	23.7
55.05513	69.6
56.15314	3.2
57.03437	16.9
57.07064	13.0
65.03947	6.5
65.26081	2.9
67.05508	95.4
67.53217	3.5
69.03425	9.4
69.07068	52.9
71.04996	11.9
71.08630	7.4
71.59886	3.3
77.03938	3.9
79.05047	6.2
79.05496	93.8
81.03410	8.2
81.07056	100.0
83.04996	15.3
83.08627	31.1
85.06536	10.2
85.10202	3.9
89.06023	10.6
91.05483	85.7
93.07053	78.2
95.04958	23.5
95.08608	62.2
97.02877	9.5
97.06516	13.1
97.10180	45.6
100.16343	3.0
105.04495	4.1
105.07037	74.7
107.04956	17.2
107.08598	64.8
109.06499	17.1
109.10150	34.2
111.08076	8.7
115.05428	3.9
117.07027	37.4
119.08581	66.8
121.06530	9.0
121.10143	29.2
123.08084	12.0
123.11707	6.9
125.09675	31.7
128.06209	8.8
129.07022	24.0
131.07681	4.8
131.08585	49.0
133.06503	6.7
133.08548	5.9
133.10133	51.3
135.08052	13.0
135.11714	18.2
137.09608	9.4
137.13263	4.5
141.06993	8.0
142.07811	4.3
143.08592	27.9
145.06488	4.4
145.10127	39.3
147.08099	5.8
147.11681	31.5
149.09653	14.5
149.13261	14.3
151.11179	6.0
153.09131	3.7
155.08562	13.2
157.10127	27.0
159.11714	27.3
161.09576	7.8
161.13263	22.4
163.11186	6.1
163.14812	4.4
169.10159	15.3
170.11003	3.7
171.10274	6.4
171.11710	22.3
173.09641	4.7
173.13251	18.4
175.11230	5.3
175.14806	16.4
179.08553	3.9
179.14421	4.1
181.10124	12.0
183.11708	18.8
185.13254	16.2
187.13309	3.6
187.14854	8.0
189.11249	22.2
189.12773	5.1
189.16472	4.1
195.11696	10.5
197.13260	14.2
199.14827	9.3
201.16371	5.0
203.17621	3.3
207.11626	3.6
209.13242	9.9
211.14891	7.6
213.16374	9.1
217.15910	3.6
221.13153	3.4
223.11440	4.2
223.13132	17.9
225.16434	4.3
227.12766	25.1
233.15443	4.4
239.18044	6.0
241.19537	23.2
245.19095	5.0
257.19049	10.8
259.20569	42.2
263.17972	4.3
273.18536	14.7
275.20096	22.3
277.21637	5.9
285.22165	6.3
289.17984	11.8
290.86148	3.3
291.19528	79.2
293.21109	4.4
295.22525	4.6
315.23245	4.8
333.21658	2.7
333.24405	28.2
349.23761	8.5
365.23181	29.7
379.30017	5.4
433.24457	4.0
437.30637	6.1
459.20822	3.2
463.21902	3.5
474.23660	3.8
477.23059	4.4
511.34265	7.4
513.36987	4.7
525.35950	4.5
529.35449	8.9
531.38074	9.7
545.25311	3.5
547.26685	5.5
549.24414	4.4
549.39142	6.0
550.25848	4.5
579.29022	5.5
591.26465	6.4
605.27051	5.1
605.41913	18.3
623.28522	40.5
623.42847	89.1
624.28595	4.8
641.44092	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	642.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01869	0.6
55.05516	1.3
56.05041	6.4
57.03437	6.6
57.07085	0.4
58.06610	3.5
59.05006	1.0
61.02925	0.8
65.03958	0.4
67.05512	2.0
69.03435	18.0
69.07067	2.0
70.06599	6.0
70.83330	0.8
71.04990	0.6
72.04534	0.8
72.99884	0.3
73.02928	0.8
73.05293	0.9
74.06084	100.0
75.37983	0.3
79.05512	1.3
81.03423	1.5
81.07076	2.4
82.06601	0.7
83.04955	0.3
83.08629	1.1
84.08138	0.7
85.02909	20.1
86.06098	1.7
87.04475	9.6
88.07631	4.9
91.05491	0.7
93.07077	1.1
94.06567	0.8
95.04948	0.4
95.08615	3.4
96.08161	0.4
97.02901	11.4
97.06581	0.6
97.10155	0.5
98.06068	1.7
99.04466	0.6
100.07630	1.7
104.07108	0.7
105.07099	0.5
107.08578	0.6
108.89619	0.4
109.02884	1.2
109.10184	1.2
111.08025	0.4
115.03941	6.1
116.07098	1.7
118.08701	0.4
121.10151	0.4
123.11732	0.5
127.03944	1.6
129.12000	0.4
131.04927	0.5
133.04980	3.6
135.11716	0.5
145.05002	1.0
151.03998	0.5
155.34656	0.4
167.07076	0.9
181.04988	0.6
191.07104	0.7
206.10341	0.4
249.11382	0.9
264.27032	1.2
266.28464	0.4
268.26477	0.9
276.27005	1.6
281.72662	0.3
282.28036	1.3
294.27905	5.3
294.30667	0.5
297.61353	0.4
312.28958	7.6
330.30032	14.3
348.31091	37.8
349.31595	0.8
372.31418	0.6
377.82953	0.3
383.09982	0.3
390.32184	1.7
411.14294	0.3
434.69733	0.4
462.34311	0.4
474.34338	0.4
480.35327	5.9
492.35452	3.1
510.36407	28.8
511.36411	0.8
624.39636	3.6
642.40601	93.2
643.40991	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	642.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.6
56.05042	0.8
57.07079	35.1
58.07473	0.7
65.26721	0.6
67.05511	4.9
69.03433	9.3
69.07068	6.9
69.26176	1.1
69.26515	7.1
71.04975	1.2
71.08634	30.7
73.06556	8.8
77.91261	0.7
78.38480	0.6
79.05487	2.7
81.03439	0.7
81.07053	4.5
83.08625	7.1
84.04530	0.8
84.08155	4.2
85.10189	19.9
86.06091	0.7
87.04463	8.0
88.71920	0.6
89.06036	100.0
91.05486	2.3
91.07613	1.6
93.07048	2.7
94.06568	1.4
95.05011	1.5
95.08604	3.9
97.10189	6.6
99.11742	2.6
102.05543	1.3
105.07042	1.8
107.07069	2.3
107.08598	2.3
109.10162	2.2
111.11700	3.9
112.06824	0.9
112.07607	16.0
113.13307	1.8
117.07065	0.7
117.09134	6.5
119.08579	1.7
121.10147	1.5
123.11724	0.8
125.13311	2.2
127.14852	1.6
130.08635	2.1
131.07051	1.9
131.08566	1.4
133.08614	50.8
135.10178	1.2
139.78253	0.6
140.07074	15.5
141.16409	1.8
149.13339	0.8
155.18031	0.9
158.08147	2.4
161.11812	0.9
175.09657	1.3
177.11226	20.3
180.14011	0.6
211.24165	1.8
221.13829	3.7
229.14450	0.9
239.14868	1.0
255.26878	1.9
265.16507	1.1
267.15936	2.0
283.17520	1.4
299.29349	5.6
313.27487	2.0
327.20145	1.3
343.32074	3.1
371.22824	1.0
386.21759	0.9
415.25323	3.7
449.38129	0.8
449.44760	0.6
467.37827	0.7
548.52679	0.9
606.43073	0.8
624.44659	6.5
625.49109	5.1
642.44910	1.2
642.52252	1.0
643.25360	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	642.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01868	1.3
55.05295	1.0
55.05520	10.6
57.03440	6.0
57.07083	25.2
59.05009	0.9
62.92795	0.7
65.03940	1.0
67.05512	34.6
69.03428	1.2
69.07076	11.1
71.04988	2.7
71.08637	22.6
71.20557	1.2
79.05496	19.2
81.03433	1.1
81.07063	33.7
83.04979	5.9
83.08630	12.5
84.18398	0.8
85.06519	1.5
85.10188	9.1
91.05494	14.6
93.07056	21.1
95.04973	6.0
95.08042	1.4
95.08619	23.9
97.06528	4.5
97.10165	4.2
99.08099	2.8
105.07040	6.8
107.08620	10.1
109.06527	1.6
109.10175	10.1
111.08069	2.1
111.11739	1.4
117.07031	6.6
119.08591	3.3
121.06528	0.9
121.10152	4.3
123.11729	4.2
129.07054	1.3
131.08554	6.5
133.10135	5.1
135.08035	1.1
135.11671	3.8
139.11177	1.7
145.10071	1.3
147.11671	2.3
149.13284	6.3
151.11224	5.3
155.65781	0.9
159.11700	3.1
161.13322	1.0
163.11182	2.5
165.12709	1.0
165.16498	0.9
177.12782	2.1
179.14288	1.6
195.13881	5.1
213.14719	0.9
227.12817	1.7
239.23732	4.9
251.16537	2.4
257.24805	0.8
259.20551	2.1
269.17502	10.8
277.21634	5.8
313.27396	31.3
351.25363	9.4
371.86786	0.8
411.34857	1.1
467.37500	2.1
507.40500	100.0
508.40875	2.1
549.81897	0.8
589.48621	4.2
672.18878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90886	0.3
55.05479	0.5
56.08257	0.3
67.05430	0.9
69.07032	0.4
69.63795	1.2
69.64201	0.7
71.96603	0.3
79.05434	0.6
81.06984	1.0
91.05428	0.7
93.06982	0.9
95.08556	0.8
105.07020	0.4
107.08522	0.6
117.06998	0.4
119.08530	0.6
121.10023	0.4
209.63718	0.3
275.19797	0.3
307.42935	0.3
396.12045	0.9
397.12915	2.1
398.13864	1.0
399.14178	0.4
409.12927	1.0
410.13855	2.8
411.14597	5.3
412.10199	0.6
412.15219	3.7
413.16214	2.0
423.15045	2.2
424.11337	1.4
424.15506	1.6
425.16364	10.8
426.16937	7.9
427.17929	1.7
428.18399	1.3
437.16144	1.1
438.12344	3.1
439.13586	14.0
440.13547	0.7
440.19135	5.1
441.19327	34.1
442.19531	1.1
444.17685	0.5
451.13681	0.6
452.14368	3.7
453.15323	16.9
454.16016	4.1
455.21222	0.4
456.18573	0.4
458.16025	0.6
463.13989	0.8
464.14331	0.4
465.15695	1.0
466.12531	0.9
467.17181	25.7
468.17920	14.1
469.18887	11.8
471.16559	0.7
472.17441	0.4
480.18146	0.7
481.14832	13.5
482.15521	3.8
483.15756	0.4
485.18320	0.7
486.19107	0.5
495.16891	2.8
496.17148	9.8
497.18082	1.9
498.19348	0.7
499.19720	1.2
509.18649	2.3
512.20624	1.0
514.22455	2.3
522.17529	0.5
523.19574	0.9
524.20288	0.5
526.19324	0.4
527.23267	3.0
537.18530	0.6
539.18915	0.4
540.20007	0.5
542.21594	0.8
555.22443	29.7
556.22845	1.6
568.19714	0.6
583.21930	100.0
584.22028	5.0
587.25311	1.7
611.21057	1.5
614.23621	0.7
615.24487	12.0
615.34412	0.6
616.24719	0.7
625.44153	0.4
643.23999	57.2
644.24438	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	643.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.5
67.58058	0.4
69.07064	0.6
71.05096	0.9
75.35883	0.4
79.05496	0.5
81.07033	0.6
91.05467	0.6
93.07066	1.0
107.08635	0.6
121.10179	0.4
155.87852	0.4
191.02489	0.4
192.41447	0.4
267.72614	0.4
305.44095	0.4
347.84308	0.4
643.25275	100.0
644.25726	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11267	0.5
50.38111	0.5
53.03960	0.8
55.05497	1.0
61.86618	0.5
63.70412	0.7
65.03934	2.3
67.05496	1.8
69.03416	2.2
69.07067	0.8
70.06576	1.1
70.48010	0.5
71.59960	1.0
74.06068	0.7
77.27949	0.6
79.05481	2.3
81.03419	2.3
81.07050	2.6
83.04976	0.8
83.08628	0.6
84.04492	0.6
84.08123	0.7
85.02900	2.5
86.09729	0.7
89.48310	0.5
91.05481	20.5
92.05806	0.6
93.07056	2.9
93.52831	0.6
95.04971	2.0
95.08593	2.2
97.02871	2.0
97.06535	1.3
98.97547	0.5
103.05448	1.4
103.07330	0.5
105.07014	2.4
107.04940	1.4
107.08570	2.0
109.02866	1.3
109.10154	1.2
111.04436	0.6
115.05457	0.5
117.07015	0.6
119.04943	36.9
119.08582	1.6
121.02870	1.3
121.10180	0.8
121.14863	0.6
123.04414	0.9
127.03929	1.4
130.06519	3.3
131.04915	1.9
132.08076	1.2
133.06479	1.1
133.10130	1.3
135.11653	0.6
137.05988	2.0
145.02815	0.8
145.06522	0.9
145.07584	1.4
145.10121	1.0
146.06006	16.1
147.04407	100.0
147.08067	1.6
147.43904	0.6
148.04765	1.2
149.06015	0.8
149.09642	0.8
151.03899	1.0
151.07481	1.5
153.05473	0.7
155.05937	0.9
157.10101	1.1
158.05989	7.0
159.11749	0.6
160.07585	4.7
161.06049	1.0
161.13249	0.7
162.09204	0.8
163.03941	1.1
163.07549	1.6
165.09056	0.7
167.07043	9.3
172.07594	3.0
173.05826	0.9
173.07187	3.0
173.13219	0.6
174.07901	4.7
175.03909	1.2
175.07536	0.9
177.05476	1.9
179.07034	0.9
181.04961	7.8
184.07564	0.7
188.34190	0.6
189.08803	0.9
189.10260	8.5
190.08670	0.8
191.07011	4.8
193.08623	1.2
198.05612	0.6
199.05035	1.0
205.08502	0.7
207.06558	2.1
208.76477	0.5
212.48027	0.6
215.08180	0.6
219.01938	0.6
219.10252	0.8
225.07458	0.9
231.06705	0.6
233.08087	1.0
246.00235	0.5
246.09114	0.7
263.09082	1.1
270.07837	2.1
271.08664	1.1
273.10278	0.9
275.08167	2.2
284.09274	0.7
287.11740	2.6
288.08932	2.0
289.09790	1.2
289.13272	1.1
291.11237	2.1
299.11780	5.0
302.10452	1.5
305.12799	7.6
315.05173	1.3
317.12851	17.1
329.06879	0.7
331.08081	3.1
334.15506	18.4
342.12564	0.7
360.13394	4.0
377.16019	4.2
385.12787	1.1
387.14313	0.9
399.14447	0.7
417.15515	1.6
463.16394	1.1
468.18774	0.6
479.20642	2.9
480.19193	19.4
481.19678	0.7
497.21838	38.6
498.22510	0.8
506.17172	1.1
523.19672	2.5
568.66998	0.6
625.24231	4.7
626.22650	1.5
643.16827	1.0
643.25110	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	643.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37939	0.5
53.03954	0.6
53.30068	0.6
55.05504	1.3
58.99859	2.1
61.02918	0.8
67.05510	3.2
69.07067	2.9
70.61487	1.3
77.00903	6.7
79.05066	0.6
79.05502	9.2
81.07062	4.1
83.08619	1.1
85.02895	0.9
88.17173	0.6
91.05484	4.1
91.23913	0.5
93.07027	2.7
95.01978	3.4
95.08590	1.9
97.10150	1.2
102.16921	0.6
103.05460	0.7
105.07063	3.6
107.08612	3.9
109.10134	1.2
114.11534	0.6
117.03991	1.0
119.08599	2.9
121.10131	0.9
123.08024	0.7
129.03966	1.2
131.08548	1.3
133.10124	1.0
135.04984	0.8
135.08008	0.9
135.11702	0.7
141.03893	0.7
143.08539	0.8
145.10068	1.0
147.11627	0.6
169.07135	0.8
171.04956	0.9
173.06573	2.3
173.10213	1.0
181.07132	0.9
183.08640	1.7
184.36224	0.7
187.08099	1.4
191.11273	2.4
195.08713	0.9
197.10243	1.4
199.08235	0.7
201.08041	1.0
201.09741	8.0
205.09119	0.9
207.05022	3.2
207.08607	0.7
209.06657	1.9
209.10262	2.3
211.08112	1.3
213.09686	1.6
213.42564	0.7
215.11288	3.8
217.10757	0.9
219.08835	0.6
219.10698	2.9
219.14348	1.9
221.06621	1.1
221.10138	0.7
223.11838	2.1
225.06079	0.8
226.88948	0.6
227.11313	15.5
229.09198	1.0
229.12837	0.8
231.10695	1.3
233.12108	0.8
235.11856	2.0
237.13319	1.0
239.11261	5.9
241.12862	2.3
243.10692	1.0
245.12376	16.2
249.13411	1.2
250.12859	1.6
253.12868	2.4
257.12347	8.2
261.13388	1.8
262.12878	0.8
263.11288	1.5
264.12076	2.7
265.12823	1.2
267.14371	0.8
271.14035	0.8
277.12802	0.9
277.16245	0.9
279.14478	1.0
281.12274	1.9
281.15408	0.6
282.13165	0.8
283.13794	0.7
291.14459	0.8
291.18076	1.3
297.17020	1.2
305.19531	1.3
313.16531	1.0
315.05038	0.9
315.18057	29.0
316.18170	0.8
333.19131	100.0
334.19336	1.7
351.20181	57.5
352.20395	1.2
356.20718	6.5
369.21298	1.3
371.25403	0.7
374.21777	8.4
389.26773	1.1
463.30569	2.0
569.54297	0.6
583.22382	1.0
607.37927	0.6
625.39392	5.7
642.65552	0.6
643.24036	1.6
643.40619	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	643.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
54.15453	0.9
55.05507	2.1
56.96548	1.0
58.99872	1.9
66.84425	0.8
67.00325	1.0
67.05513	6.0
69.03411	2.0
69.07046	1.1
71.60934	1.3
77.00903	4.1
79.05470	5.5
81.07060	4.8
83.04973	0.9
91.05478	3.3
93.07041	4.0
95.01940	1.0
95.04926	1.0
95.08628	5.0
95.19386	0.9
97.06568	1.1
98.97601	1.0
105.00354	1.4
105.07030	2.8
107.04997	1.2
107.08594	4.1
109.06489	1.0
109.10160	1.6
113.00890	1.8
115.02391	1.0
117.07034	1.6
117.50594	0.9
119.08578	2.6
121.10174	1.9
126.08312	1.0
131.01903	4.7
131.08583	1.8
133.10143	2.0
135.11708	1.0
141.03972	2.0
143.08597	1.1
144.02676	1.6
145.03493	1.0
145.10152	1.0
147.11688	1.9
155.05464	1.0
156.02663	1.7
157.10187	1.5
159.04993	1.6
159.07983	1.1
159.11707	0.9
163.21814	1.0
167.05598	1.5
169.03532	3.1
171.05095	1.3
173.06589	2.3
174.03821	1.3
181.03491	1.4
182.04260	3.0
185.06625	4.0
186.07442	1.8
187.04538	1.7
187.08211	2.4
191.07623	1.4
195.05141	2.4
196.05779	1.0
199.08177	1.4
200.05370	1.2
201.09665	6.4
203.07928	1.2
203.11182	1.0
205.07152	2.6
205.09068	1.2
206.07942	1.3
207.04985	1.9
209.06651	1.4
211.08052	2.2
213.09758	2.9
214.06871	1.5
214.18182	0.9
215.11340	2.4
219.10829	1.7
221.06517	1.3
223.08176	15.3
223.11761	1.6
224.08994	8.6
225.09778	3.4
225.13290	1.1
227.11226	1.3
229.09209	2.1
231.10812	2.6
239.11270	1.4
241.09229	44.1
242.09995	20.8
243.10899	7.2
243.14297	6.4
247.10483	1.6
256.08038	3.1
257.12436	1.3
259.10315	7.1
259.20697	1.0
260.11038	6.9
261.15527	1.2
263.11319	1.8
264.10883	3.9
269.12579	1.3
274.09009	1.3
277.12842	1.3
281.12457	2.4
282.13202	1.8
283.13367	1.2
291.17914	1.4
295.13846	1.0
297.16876	1.1
315.18091	18.0
333.19141	55.1
334.19540	1.3
351.20187	100.0
352.20459	3.0
353.20474	1.7
356.20770	2.3
369.21252	3.3
369.88214	1.1
374.21805	14.4
428.20645	1.1
496.98459	1.1
625.39447	3.7
643.40521	59.0
644.40955	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	1.9
52.78794	1.5
53.03939	3.8
55.01865	11.1
55.05511	25.3
57.03442	23.4
57.07077	4.2
65.03916	6.9
67.05506	84.7
69.03416	4.8
69.07081	20.9
71.04980	5.5
71.08630	4.8
74.33236	1.7
79.05498	57.3
81.03419	5.0
81.06570	3.9
81.07057	79.2
83.04970	6.1
83.08615	9.1
85.06551	14.6
85.10139	1.7
91.05480	48.6
93.07050	57.3
95.04973	48.8
95.08038	3.0
95.08611	44.8
97.06515	7.0
97.10169	5.1
99.04464	2.6
99.08096	3.5
104.83682	2.0
105.04523	1.8
105.07037	37.7
107.04964	10.3
107.08606	28.2
109.05776	3.4
109.06522	63.7
109.10152	18.9
111.04469	2.0
111.08098	4.3
113.06017	30.7
115.05472	2.3
117.07021	18.6
119.08579	25.5
121.06499	6.8
121.10139	19.9
121.43959	1.5
123.08076	5.2
123.11724	4.7
125.06180	1.6
125.09595	3.6
129.07024	10.1
131.08588	25.5
133.06459	3.5
133.10129	16.1
135.07082	3.1
135.08055	44.5
135.11671	16.2
137.09589	2.8
141.07034	1.6
143.08611	10.7
145.10112	18.7
147.08070	6.2
147.11681	11.3
149.09610	5.2
149.13263	8.5
151.11240	3.1
154.02374	1.7
155.08632	2.5
157.10149	8.9
159.08034	3.6
159.11687	7.7
161.09641	9.9
161.13245	7.0
163.11198	3.4
165.12726	1.9
167.08437	1.7
169.10136	3.4
171.11699	6.3
173.13266	5.4
175.11256	4.7
175.14908	2.2
177.12775	4.7
179.14340	3.3
181.10196	2.1
182.81573	1.8
183.11676	3.7
185.13240	3.0
187.11157	2.2
187.14714	1.8
189.11150	3.0
189.12759	1.9
195.11684	2.8
199.14824	4.3
213.16360	2.3
217.15883	14.5
227.12709	2.0
227.17929	2.2
229.54932	2.1
245.19028	3.1
255.17389	3.4
259.20462	2.5
261.22256	3.2
273.18500	43.4
275.20029	5.1
277.21628	6.0
289.17838	2.2
291.19559	100.0
293.21149	3.6
307.24588	2.0
333.24103	3.3
335.25806	76.4
336.26169	2.3
342.97476	1.8
347.22293	7.0
365.23199	8.0
367.24493	2.7
545.38196	4.0
607.43256	5.7
625.44641	30.8
643.45190	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	645.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
54.99356	2.1
56.96553	3.6
67.05496	7.2
69.03420	4.0
69.07091	2.7
70.06569	2.7
79.05482	9.3
79.89249	2.5
81.03416	6.7
81.07053	9.7
82.06588	4.0
83.08602	2.8
85.02901	5.4
91.05473	12.2
93.07045	15.0
94.06590	14.5
95.04987	6.7
95.07346	7.1
95.08591	6.2
96.08125	17.8
97.02915	2.5
97.06521	3.3
98.20757	4.5
103.05483	3.0
105.07027	4.7
107.04872	2.3
107.08578	3.2
108.04444	2.8
108.08151	18.1
109.02859	3.6
109.06533	2.9
109.10152	3.4
110.09681	34.8
110.12328	2.4
118.06467	2.6
119.08613	5.3
120.08109	24.2
121.10130	5.0
122.06038	14.0
124.07587	7.8
127.03897	5.8
131.08517	3.2
132.04466	2.7
133.10165	4.1
134.06023	4.8
136.07573	34.6
137.05986	4.0
138.09143	40.5
143.08536	2.8
145.10106	4.4
146.06007	3.0
147.04379	4.2
148.07614	14.1
150.09134	7.2
152.07076	16.1
160.03911	10.6
160.07599	2.8
161.13341	2.6
164.07066	9.5
166.07332	4.2
166.08655	52.9
167.07083	4.1
172.03931	11.9
177.05441	3.2
178.05055	4.6
190.05011	11.0
197.10733	3.1
204.06563	18.5
207.06598	3.2
210.11520	5.5
211.08630	4.7
211.12355	13.9
211.14099	2.6
211.73010	2.3
212.09300	4.1
212.13129	2.3
213.10190	2.5
220.09952	3.4
223.08644	6.9
223.12306	7.1
225.10204	18.6
225.13814	3.5
226.11008	9.5
227.11813	6.6
231.24883	2.3
235.12378	3.3
236.09460	3.7
237.10254	18.1
237.13846	2.9
238.10915	12.3
239.08118	8.7
239.11855	24.6
240.12485	4.7
248.09375	4.5
249.10312	11.5
250.11037	10.0
251.08186	4.4
251.11798	33.5
252.12506	8.6
253.09734	4.7
253.13330	12.5
254.10527	11.2
255.11290	3.2
256.12122	5.3
262.11008	5.5
263.11829	24.0
264.08939	6.3
264.12476	11.2
265.09680	11.6
265.13336	23.8
266.10474	9.3
267.11276	25.6
269.12805	4.2
271.10818	4.6
271.14407	5.8
277.09805	4.0
278.10645	4.6
279.11319	31.4
280.12012	5.5
281.12866	20.4
282.09863	3.2
283.10770	7.5
283.14279	5.0
284.11554	11.1
285.12341	40.7
287.13968	3.5
291.11169	9.6
292.12009	5.1
293.12793	15.9
295.10764	3.6
296.11514	7.2
297.12332	46.5
298.13058	5.5
299.13791	14.4
309.12338	71.8
310.13028	6.7
311.10489	4.8
311.13861	21.9
319.10672	8.3
321.12408	13.1
323.10135	9.4
325.11768	15.9
327.09436	5.0
327.13409	100.0
328.13922	2.8
337.11829	47.9
338.12341	7.3
339.13382	14.5
341.14981	6.3
343.12912	4.4
357.14447	7.5
358.15280	4.7
358.27344	2.4
359.15933	16.3
369.14426	36.8
370.15289	3.0
371.16019	27.6
372.16980	2.4
402.18100	5.2
404.19482	6.4
414.17990	4.2
416.19699	4.9
418.17267	3.0
424.16696	2.6
430.17783	12.2
432.19080	15.6
442.17664	4.0
443.18011	2.6
446.20779	3.5
448.18726	55.2
449.19348	23.2
450.20270	18.6
460.12662	4.2
460.18771	55.8
462.20276	4.1
474.20203	9.9
476.18008	9.5
477.18936	8.7
478.19592	10.9
480.21344	38.3
490.19830	34.9
491.20416	9.2
492.21402	75.8
493.21698	6.4
522.21924	21.4
523.23010	11.0
524.23083	5.9
595.25555	13.4
613.26581	40.4
645.28723	11.8
651.82330	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	645.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65121	0.6
53.03934	0.6
55.01900	0.7
55.56926	0.5
65.03929	0.9
67.05511	5.6
68.84976	0.5
69.03425	0.9
69.07070	0.9
69.25101	5.2
70.06579	1.1
74.14455	0.5
79.05507	3.1
80.04998	1.0
81.03416	1.2
81.07048	2.1
82.06557	1.7
83.04993	0.7
84.43726	0.5
85.02924	0.9
91.05499	3.5
93.07053	6.3
94.06574	9.9
95.04951	1.2
95.07352	7.8
95.08608	2.4
96.08135	14.2
97.02873	1.1
97.06521	1.9
99.04424	0.6
103.05473	1.4
105.07018	1.3
106.06525	1.1
107.08602	1.4
108.04469	2.1
108.08115	10.4
109.06490	0.6
109.10130	0.8
110.09680	24.6
119.04905	0.9
119.07362	0.9
119.08620	0.8
120.08108	16.5
121.02879	0.9
121.06451	0.8
121.10163	0.6
122.06032	10.7
122.09680	0.9
124.07587	0.6
127.03909	1.1
129.06952	0.6
131.04953	0.6
132.04451	2.2
134.05978	2.0
136.06593	1.0
136.07564	8.1
137.05963	1.5
138.09138	30.0
145.10162	0.9
147.04396	0.6
148.07585	5.2
150.09143	2.1
152.07085	3.3
158.06047	0.7
160.03934	7.7
160.07564	1.0
162.05487	0.8
164.07092	4.1
166.08640	34.4
167.07077	1.4
172.03931	1.0
177.05493	0.7
178.04974	2.5
181.04973	1.4
183.06371	0.5
190.43623	0.6
191.07011	1.1
195.71245	0.6
197.10797	1.3
199.08646	3.0
204.06509	1.2
209.10706	0.9
211.08716	3.7
211.12303	2.0
212.09264	1.5
213.10207	2.2
219.09174	0.5
221.10738	1.1
222.11465	2.0
223.08656	5.1
223.12338	1.9
224.12917	1.1
225.10216	14.1
225.13928	1.7
226.10988	8.0
227.08156	1.0
227.11763	4.1
235.08653	2.4
235.12280	2.5
236.09380	2.0
236.13123	1.0
237.10240	6.8
237.13789	2.5
238.10942	5.2
239.08168	8.0
239.11798	16.0
240.12508	4.2
241.09682	1.4
241.13301	0.9
247.08823	0.5
247.12355	1.0
248.09520	2.1
249.10220	7.8
250.11014	7.3
251.08160	3.8
251.11797	16.6
252.08939	0.9
252.12532	3.4
253.09740	6.3
253.13348	12.2
254.10501	13.2
255.11221	1.4
255.15094	0.8
257.13098	0.8
262.11069	1.0
263.11801	14.2
264.09042	1.5
264.12592	6.7
265.09769	6.5
265.13361	20.7
266.10577	2.3
266.14075	1.5
267.11288	8.4
267.14865	2.6
268.12247	0.8
269.12802	1.3
271.10815	2.2
275.11844	1.2
277.09714	3.2
278.10623	1.6
279.11288	8.3
280.11871	1.2
281.12842	14.5
282.13629	2.1
283.10797	4.6
283.14020	5.0
284.11523	2.2
285.12335	13.0
286.13092	3.1
287.13565	0.6
291.11237	3.5
292.12006	1.0
293.12842	7.8
294.10098	1.0
294.13596	1.7
295.11111	2.8
295.13995	1.1
296.11536	5.0
297.12360	7.3
298.13083	1.8
299.13928	15.2
307.10721	1.5
308.11526	0.8
309.12341	61.2
310.13113	3.2
311.13879	23.6
312.14380	0.7
313.11798	1.7
319.10803	2.0
320.11517	1.0
321.12311	4.5
325.06812	0.6
325.11819	2.5
326.12607	1.3
327.13394	100.0
328.13867	2.6
331.08124	1.1
337.11819	11.1
338.12531	4.5
339.13434	8.8
341.14993	5.1
344.13977	0.8
356.13907	0.8
356.18039	0.8
357.14554	4.3
358.15289	2.6
359.16031	15.0
369.14462	37.0
370.15225	3.4
371.16022	31.0
372.16870	1.3
400.16580	0.7
402.18185	0.9
404.19861	4.3
405.14310	0.7
414.17963	1.1
416.19687	4.2
430.17624	5.6
432.19232	15.2
433.19400	0.7
442.17676	2.0
442.50916	0.6
446.20786	0.8
448.18686	29.2
449.19205	1.3
460.18710	38.6
461.18768	1.4
462.20013	0.6
474.20084	3.9
478.19485	1.2
480.21320	37.4
481.21640	1.3
491.20361	0.7
492.21320	70.6
493.21506	1.6
506.23022	0.8
523.23163	1.7
524.23804	1.7
595.25330	2.6
613.26471	4.6
627.27930	1.3
645.30511	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	645.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.8
57.07086	2.6
67.05518	1.5
69.07065	1.0
69.58269	3.7
71.08635	2.4
79.05511	0.7
81.07060	2.3
83.08627	0.6
85.10184	0.8
93.07047	0.7
95.08633	2.1
107.08610	0.7
119.08594	0.6
142.91464	0.5
144.84677	0.5
190.94086	0.5
204.45297	0.5
217.41705	0.5
248.71706	0.6
305.02829	0.7
313.27615	0.8
333.20389	8.2
389.23059	5.3
402.73734	0.6
644.18939	0.6
645.47046	100.0
646.47345	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	645.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93960	0.8
57.03406	0.9
57.07070	2.3
67.05503	2.0
69.07074	1.2
71.08616	1.0
71.59429	1.2
77.71253	0.8
79.05465	1.0
81.07060	3.0
83.08636	1.0
91.05509	0.9
93.07050	1.2
95.04983	0.8
95.08616	1.3
105.07057	1.0
107.08598	1.7
109.10168	1.2
111.40067	0.7
117.06940	0.8
119.08586	1.2
182.73271	0.8
198.28719	0.7
200.71016	0.7
249.89238	0.7
313.27380	1.0
333.20349	6.8
389.23114	3.7
612.69342	0.9
645.47028	100.0
646.47028	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	646.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.05516	16.2
57.03443	16.2
57.07079	5.2
67.05507	50.8
69.07066	19.1
71.04993	4.6
71.60810	4.3
79.05493	42.2
81.07054	56.4
83.08599	5.3
85.06539	3.8
91.05488	33.7
93.07053	54.8
95.04998	4.3
95.08607	43.9
95.09164	5.4
97.06510	5.1
97.10172	4.5
105.07034	28.5
107.08601	30.3
109.10175	20.1
111.08092	2.9
117.07021	16.1
119.08577	22.3
121.10144	20.8
123.11678	4.0
131.08577	16.3
133.10118	17.6
135.11699	16.3
143.08604	5.0
145.10117	11.3
147.11745	9.5
149.13315	9.1
159.11699	10.9
161.13281	10.8
171.11755	4.3
173.13330	4.0
175.14827	5.3
185.13266	5.0
187.14824	6.8
205.15872	4.5
259.20636	12.7
261.22031	4.0
277.21811	8.3
333.20642	5.2
333.24350	8.2
334.20932	3.7
335.25800	60.2
351.25430	10.4
367.61499	2.9
370.83786	3.0
423.58698	3.1
611.46234	14.0
646.47382	100.0
647.48260	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	647.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.7
57.03434	0.5
57.07081	2.4
67.05507	0.9
67.24403	0.3
69.07072	0.8
70.63832	0.7
70.64188	0.7
71.08635	1.4
73.53511	0.3
81.07064	1.6
83.08619	1.2
85.10205	0.9
87.39045	0.4
93.07047	0.7
95.08626	1.7
99.40723	0.3
121.10156	0.4
135.11723	0.4
138.89951	0.4
313.27396	1.0
335.21948	6.5
352.67514	0.4
384.58508	0.4
391.24539	4.1
425.70352	0.4
553.29572	0.4
647.48560	100.0
648.49377	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	649.3025
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
52.86263	1.3
59.86206	1.5
67.05512	2.3
71.61229	1.5
79.05482	2.5
81.07069	2.2
84.16069	1.4
92.20368	1.3
93.07060	2.1
95.08601	2.0
105.07047	2.4
109.10146	1.4
119.48164	1.3
121.10159	1.6
130.17316	1.4
154.89467	1.6
157.10202	1.3
174.52722	1.4
191.18391	1.3
223.24942	1.4
300.56375	1.4
403.19427	1.9
404.20035	1.6
417.20953	2.1
431.18790	3.9
444.19778	1.8
445.20569	5.2
457.19949	1.6
459.21771	5.3
460.22842	3.1
461.23572	4.2
473.19894	4.9
487.21277	3.3
489.22870	2.1
502.23758	2.5
503.24670	4.0
515.24719	1.5
519.25439	1.7
547.27185	11.4
561.25867	2.5
589.28229	17.0
607.29639	1.8
617.27454	2.1
649.30286	100.0
649.43628	4.2
649.47003	4.3
650.30457	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
55.01867	4.3
55.05512	30.4
57.03442	11.4
57.07074	3.1
57.43159	1.8
59.04996	4.2
65.03941	3.2
67.05509	100.0
69.03435	26.3
69.07065	14.4
70.24860	9.2
71.01315	2.3
71.04990	5.4
73.02895	2.8
79.05499	36.0
81.03421	36.4
81.07061	57.0
81.57510	2.1
83.04989	17.7
83.08626	16.4
85.02898	6.4
85.06541	4.9
91.05490	27.2
93.07046	35.6
95.04964	7.8
95.08611	38.5
97.02898	11.1
97.06521	5.8
97.10154	11.4
99.04465	4.4
99.08068	3.2
101.05910	2.0
105.07046	20.2
107.04933	5.7
107.08605	23.0
109.02885	6.5
109.06516	3.9
109.09443	3.6
109.10164	56.9
109.46230	2.0
111.04463	6.7
111.08070	4.5
115.05476	2.6
117.07053	13.2
119.08585	24.7
121.06528	2.9
121.10146	14.8
123.08079	2.4
123.11700	3.8
125.09627	9.3
127.03900	6.4
129.05478	6.5
129.06996	8.2
131.04910	2.8
131.08556	18.6
133.06490	2.7
133.10118	12.5
135.08002	7.4
135.11697	9.5
137.09663	5.2
139.11215	2.9
142.07809	2.0
143.08543	7.4
145.06448	3.9
145.10143	11.3
147.08124	2.7
147.11699	9.7
149.09590	3.2
149.13266	6.6
155.08604	4.9
155.10692	2.9
157.10110	6.8
159.08090	3.2
159.11743	11.5
161.09641	4.4
161.13330	5.4
163.11234	2.6
165.09297	2.0
167.08650	2.8
169.10168	6.1
171.11678	4.8
173.09537	2.6
173.11740	17.8
173.13295	6.8
175.11183	5.1
175.14882	2.2
177.12755	2.3
183.11783	3.9
185.13171	3.8
187.11169	2.5
187.14853	3.9
189.11243	9.8
197.13292	2.3
199.14958	4.7
201.12750	2.5
203.10329	2.1
203.14418	2.7
213.16653	2.0
227.12788	8.5
229.14360	44.0
233.15117	2.1
245.13617	2.4
259.20474	2.8
261.22125	3.6
277.21786	3.2
299.14838	3.3
301.21713	5.5
303.23303	4.4
315.23224	3.1
319.22736	3.3
335.25757	5.2
337.27454	6.1
341.24905	2.6
343.22736	2.1
351.23126	7.0
369.24298	10.7
371.16922	3.5
373.18555	4.9
375.25433	3.0
387.25348	6.1
405.26416	2.4
443.28015	2.6
461.28848	5.2
479.30075	4.2
488.58990	2.2
489.35556	7.2
597.37500	5.5
615.38824	6.7
633.39911	17.5
651.41504	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	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01855	3.5
55.05265	1.9
55.05512	29.3
57.03438	10.5
57.07068	4.3
58.35377	1.4
58.63269	1.4
59.04979	2.0
65.03918	3.4
67.05506	100.0
69.03123	1.9
69.03435	23.5
69.07070	15.6
71.01364	1.8
71.05000	7.3
71.08608	1.4
73.02878	2.0
75.47340	1.4
79.05053	1.8
79.05497	29.7
81.03422	48.1
81.07059	57.8
83.04984	22.2
83.08619	13.5
85.02914	7.2
85.06500	3.6
85.73702	1.5
91.05483	25.6
92.11460	1.5
93.07048	31.7
95.04950	6.4
95.08610	42.2
97.02907	15.7
97.06519	4.1
97.10184	14.1
99.04427	5.0
105.07030	20.7
107.04957	3.3
107.08606	26.2
109.02915	7.7
109.06529	3.6
109.10155	53.4
111.04479	8.5
111.08076	4.6
117.07010	10.8
119.08598	21.0
120.08131	1.9
121.06471	3.9
121.10150	16.5
123.04419	1.9
123.08083	3.3
123.11702	6.2
125.09657	9.2
127.03913	6.4
128.06178	2.8
129.05466	9.8
129.07010	8.2
131.08586	16.5
133.06487	2.5
133.10132	12.0
135.08029	3.5
135.10799	1.5
135.11661	9.1
137.09644	4.9
137.13277	2.5
139.11174	2.7
141.06978	2.9
143.08571	8.7
145.06433	2.3
145.10152	14.4
147.08000	3.2
147.11676	10.3
149.09624	2.8
149.13274	5.3
153.09097	2.2
155.08577	2.2
155.10666	4.6
157.06406	1.7
157.10152	5.9
159.11705	9.0
161.13284	4.9
163.14934	1.8
165.09143	1.7
167.08525	1.8
169.10136	4.6
171.08090	1.9
171.10217	2.2
171.11639	4.3
173.09485	1.9
173.11726	15.4
173.13271	4.4
175.11182	2.4
175.14813	2.0
177.12746	1.9
179.10600	1.8
181.10150	2.9
183.11656	3.5
185.13249	4.8
187.11203	3.1
187.14806	3.0
189.11234	12.0
189.12701	2.2
197.13177	1.7
199.11259	1.9
207.13852	1.6
213.12769	1.6
227.12762	12.3
229.07280	1.7
229.12355	2.3
229.14383	23.5
245.13846	3.3
259.20618	1.6
261.22092	6.5
263.23706	3.0
277.21649	2.8
285.22220	1.8
299.15033	3.8
301.21640	5.0
317.24744	1.6
319.22745	4.9
335.25958	11.8
337.27359	10.4
341.24820	2.4
347.26080	1.5
351.23117	4.6
369.24106	9.3
371.16907	5.4
373.18600	3.6
377.27206	1.7
387.25330	7.4
405.26437	2.7
425.26688	2.1
443.27106	3.5
461.28925	6.1
479.29932	5.6
489.35620	6.7
507.36682	2.8
597.37097	4.3
615.38702	5.7
633.40118	19.3
651.40771	12.9
662.79010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01870	4.7
55.05514	28.4
57.03439	9.5
57.07058	3.4
57.69902	2.0
59.05008	4.3
60.80937	2.0
61.02922	2.3
65.03939	2.5
67.05510	100.0
69.03432	23.2
69.07072	19.5
69.32219	12.8
69.32644	7.1
71.04999	9.1
73.02884	2.1
79.05495	37.7
79.50077	1.9
81.02966	4.1
81.03422	56.9
81.07062	61.2
83.04982	27.5
83.08612	14.4
85.02928	4.8
85.06562	4.1
87.04486	2.3
91.05482	28.7
93.07046	35.2
95.04971	10.1
95.08609	45.3
97.02906	17.5
97.06522	6.0
97.10181	13.2
99.04454	5.3
99.08121	2.9
105.07033	21.8
107.04962	6.8
107.08601	25.2
108.76687	2.0
109.02872	5.8
109.06499	4.1
109.10159	63.5
111.04463	7.5
111.08044	3.6
115.05505	2.4
117.07019	10.6
119.08595	20.5
121.10149	17.7
123.04467	2.9
123.08070	5.0
123.11732	7.2
125.09629	15.2
127.03936	8.4
129.05499	8.4
129.06998	8.1
131.08556	17.9
133.06503	4.2
133.10135	13.9
135.08076	4.1
135.11719	9.0
137.09665	4.2
141.07045	2.4
143.08583	7.4
144.17363	2.5
145.10065	10.7
147.08040	2.9
147.11688	6.7
149.09602	6.1
149.13271	7.4
151.11133	2.2
153.09174	3.7
155.08540	3.3
155.10597	4.0
157.10127	5.6
159.08063	3.2
159.11700	7.5
161.09575	3.6
161.13266	6.2
163.07590	2.7
163.14821	4.9
169.10080	3.4
171.10185	1.9
171.11674	5.2
173.11746	18.4
173.13297	8.3
175.11194	4.6
177.12772	2.6
183.11707	4.3
185.13298	4.6
187.14798	2.0
189.11269	14.1
199.11229	2.8
199.14804	3.2
205.15913	2.2
207.11728	2.0
209.13342	3.3
213.04805	1.9
218.11313	2.4
227.12790	17.3
229.14330	33.0
245.13936	3.8
261.22061	3.6
299.14957	2.9
301.21677	5.7
319.22864	2.6
335.25858	9.7
337.27368	11.1
349.36194	2.2
351.23239	6.3
369.24054	11.4
371.17087	7.8
373.18622	5.9
387.25290	6.7
397.07376	2.1
405.26480	4.0
451.31592	2.5
461.28928	3.0
479.29892	2.5
489.35489	4.7
507.36530	4.1
597.37323	5.6
615.39337	9.6
633.39948	14.5
651.41272	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01873	4.1
55.05513	29.6
57.03437	10.8
59.04999	4.8
65.03924	5.2
67.05509	100.0
69.03436	23.9
69.07069	17.7
69.81117	10.1
71.05006	9.2
79.05497	30.6
81.03424	58.8
81.03903	3.3
81.07063	60.0
83.04529	2.9
83.04987	31.1
83.08627	13.9
85.02889	4.7
85.06512	3.4
91.05491	26.1
93.07045	30.9
95.04967	6.8
95.08614	38.3
97.02905	17.4
97.06545	2.5
97.10183	16.1
99.04434	4.7
99.08067	1.7
103.03954	1.7
105.07039	22.4
107.04961	3.4
107.08605	24.8
107.60043	1.8
109.02895	9.3
109.06515	5.3
109.09444	3.1
109.10163	53.8
110.10487	1.8
110.56661	1.6
111.04446	10.3
111.08098	3.7
117.07040	10.8
118.17406	1.9
119.08590	18.3
121.06508	4.0
121.10142	16.9
123.08068	2.5
123.10723	1.6
123.11702	10.0
125.09652	16.0
127.03908	6.6
128.06215	3.5
129.05501	16.4
129.06992	4.8
131.08607	11.8
133.10123	13.5
135.08064	4.9
135.11674	9.4
137.09612	2.7
139.11221	2.9
141.07005	2.9
143.08589	7.6
145.06535	2.6
145.10110	15.6
145.15280	1.7
147.08054	2.9
147.11697	9.4
149.09587	2.3
149.13298	7.0
155.08517	3.1
157.10150	3.6
159.08051	3.0
159.11691	12.3
161.09636	2.5
161.13255	6.7
163.11171	1.8
163.14783	3.2
166.07819	2.0
166.37831	1.7
169.10109	3.7
171.11705	5.7
173.11749	12.6
173.13300	5.9
175.11157	3.8
175.14870	3.3
183.11720	3.6
185.09567	1.8
185.13274	4.1
187.11217	2.3
187.14842	3.5
189.11224	13.4
189.12730	2.2
195.11711	2.1
199.14847	2.1
213.12756	2.0
221.15344	2.0
227.12733	18.4
229.14348	21.8
240.47957	1.9
243.21089	2.1
245.13855	5.8
259.20761	2.0
261.22232	8.6
263.23718	3.4
273.21750	1.9
289.21631	2.0
299.14923	2.9
301.21796	2.1
303.23273	3.7
323.23492	2.0
335.25974	12.2
337.27390	14.5
341.24875	2.1
351.23248	4.0
357.24127	2.8
369.24344	7.8
371.17038	7.2
373.18643	5.6
387.25348	3.7
405.26584	2.3
443.27783	4.0
461.29129	3.5
479.30023	3.9
489.35599	3.0
507.36810	7.2
597.38007	3.7
615.38995	5.3
633.40039	16.7
651.27502	1.6
651.40765	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	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
53.98639	3.5
55.05513	2.9
64.11720	2.8
67.05492	5.4
67.90873	2.9
69.07060	3.3
79.05511	6.1
81.07053	5.8
89.80038	3.0
91.05477	5.9
93.07047	5.0
94.60873	3.2
95.08586	5.3
98.21503	6.0
105.07025	5.0
107.08586	4.7
117.81969	3.0
121.10196	4.6
133.10178	3.9
143.36534	3.0
159.11717	2.9
215.08286	3.3
405.20767	10.9
419.22150	11.1
420.22775	3.9
433.24231	4.6
449.19843	9.0
450.20700	4.8
463.21289	8.9
479.24487	27.0
487.21323	5.8
492.25168	4.9
501.23026	6.9
507.27521	13.9
519.24103	6.1
533.25482	6.6
537.25006	8.9
541.35327	10.5
551.26666	31.3
560.24860	3.9
561.24731	8.4
565.27863	13.2
566.28900	67.0
575.26471	13.2
593.27631	12.3
603.25897	8.1
621.26636	13.5
635.28595	26.0
653.29700	100.0
654.29791	5.3
682.76410	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	654.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04937	0.8
53.51972	1.0
54.13715	0.9
56.96572	20.4
67.05508	1.1
69.07069	3.4
69.91135	3.8
71.95264	2.5
72.96032	0.9
74.97613	1.0
75.39725	0.9
75.51355	0.9
77.04848	0.8
79.05492	1.2
81.07049	1.2
85.02897	1.1
91.05470	1.1
93.07018	1.5
95.04964	1.1
95.08604	1.4
98.97565	1.1
110.97584	4.6
128.98650	7.9
137.05875	1.0
141.02199	1.0
145.10098	1.1
146.99673	3.5
153.02202	1.1
155.03850	0.9
161.01213	1.3
165.02361	1.1
167.03798	1.0
169.01663	1.4
171.03319	1.9
173.04800	1.0
174.49840	1.0
181.05313	1.0
183.03358	1.1
185.04848	3.4
191.05896	1.1
197.04865	1.7
199.06441	9.7
203.05852	3.1
205.01680	0.9
205.07483	5.9
211.06479	3.1
213.08011	3.1
217.07480	9.2
223.02788	4.0
223.08524	3.9
225.07980	4.7
227.09531	2.7
229.07497	5.3
231.09116	2.5
237.04286	2.5
237.08000	4.9
239.09645	2.7
243.09045	3.8
247.08505	1.6
251.09538	2.7
253.11038	2.4
255.09065	24.0
257.10605	1.2
262.08801	1.9
267.09085	3.4
269.08133	0.9
269.10571	5.8
271.12344	1.1
273.10092	9.5
278.10675	2.1
279.08978	1.9
280.09879	8.0
281.10648	1.5
285.10056	2.6
287.11578	1.5
291.12741	3.4
298.10913	2.8
303.16266	2.0
307.12396	1.6
309.13702	2.6
321.17383	1.8
331.15808	29.6
349.16876	100.0
350.17310	1.3
367.17944	44.6
368.18011	1.0
372.18503	6.5
390.19580	9.8
654.34161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52517	0.7
55.05502	4.1
56.05031	1.3
57.03433	1.4
61.90161	0.7
67.05508	8.3
69.07056	2.9
71.11440	0.8
71.59948	1.2
72.34253	0.7
76.28135	0.7
79.05496	8.1
80.95902	0.7
81.03406	1.4
81.07063	7.3
82.06590	1.8
91.05486	4.1
93.07047	7.2
94.06540	1.0
95.04970	2.8
95.08607	7.8
96.08092	0.9
104.10815	0.8
105.07049	2.4
106.06564	2.7
107.07344	5.7
107.08582	4.4
108.08114	6.4
109.10147	1.9
110.09659	1.2
117.07034	0.9
119.08584	2.7
121.08901	1.0
121.10159	1.9
122.09670	1.9
124.11246	1.7
125.00033	1.7
131.08536	1.7
133.10150	2.1
134.09659	8.1
135.10443	31.6
135.11632	2.3
136.11232	2.7
141.59789	0.8
145.06557	0.9
145.49046	0.8
148.11198	1.8
149.09631	1.0
149.12029	2.6
150.12747	3.8
152.14369	3.3
159.11551	0.7
167.09424	3.9
178.15915	48.1
180.17476	14.4
196.16997	2.7
222.08868	1.5
222.18524	5.8
240.19652	1.6
276.13611	74.8
278.15085	1.9
301.14276	1.1
302.14697	1.7
320.16223	100.0
321.16251	0.8
335.25815	5.8
406.96103	0.9
610.38776	3.8
636.40009	2.5
654.41327	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	655.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
52.88161	0.4
53.03936	0.7
54.71598	0.3
55.01865	0.5
55.05522	0.5
57.03423	0.4
62.82261	0.3
65.03939	1.6
66.49165	0.3
67.01864	0.6
67.05502	0.7
68.99782	0.4
69.03416	1.5
69.07051	0.7
69.43993	2.5
70.06579	0.9
71.04967	0.4
72.08137	0.4
77.03924	0.7
79.01842	0.4
79.05485	0.9
81.03419	5.1
81.07032	1.4
83.08646	0.5
84.08129	0.7
85.02918	2.4
86.09674	0.5
89.03906	0.8
91.05482	22.6
92.05735	0.4
93.07022	1.1
95.04949	0.8
95.08606	0.7
97.02914	0.6
97.06516	0.8
98.97635	0.3
99.04449	0.6
103.05486	0.7
105.03397	0.6
105.07036	0.7
107.04965	0.7
107.08572	0.6
109.02898	2.1
109.10149	0.8
109.59618	0.3
115.05437	0.4
117.03387	0.4
118.04121	0.5
119.04946	30.5
119.08572	0.4
121.02863	1.2
121.06522	0.3
121.10133	0.7
121.63529	0.4
127.03891	0.8
129.01830	0.3
129.03358	0.5
131.04913	0.6
131.08524	0.4
132.02066	1.3
133.02855	0.6
135.04404	2.6
135.11696	0.4
136.05170	0.4
137.02338	0.6
137.05957	0.9
137.09708	0.3
145.02821	1.3
147.04414	27.5
149.02304	0.7
149.06001	0.5
151.03880	0.9
153.01836	5.0
154.08585	0.3
157.03964	3.1
158.99725	0.3
160.01482	0.4
161.05934	0.4
162.03142	0.5
163.03944	0.6
164.04657	1.2
165.09088	0.9
167.07047	0.8
171.02898	0.6
175.03908	46.3
176.04335	0.8
177.05510	0.8
179.07082	2.0
181.04945	1.0
187.07416	0.4
192.04178	0.7
205.04793	0.4
206.64145	0.3
207.06526	100.0
208.06836	0.8
225.07646	0.5
241.04941	0.6
246.56299	0.3
259.09869	0.4
269.04483	0.7
286.04630	0.4
287.05502	80.3
288.05798	1.0
315.04996	0.3
329.06586	0.6
331.08105	0.9
351.10712	7.0
369.11844	3.9
431.07715	0.4
449.11441	1.0
457.29459	0.9
459.06842	0.7
475.10083	0.5
493.11148	5.7
573.95898	0.4
653.34216	0.4
655.15540	2.4
655.33240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03938	0.5
55.01866	0.5
55.05486	0.3
65.03938	3.0
67.05505	1.0
69.03421	0.9
69.07095	0.4
70.06596	1.0
70.37544	1.0
72.08170	0.5
76.89028	0.3
77.03941	0.7
79.05495	0.8
81.03424	1.1
81.07057	0.8
84.08145	0.7
85.02912	1.1
86.09715	0.3
89.03922	1.2
91.05482	32.4
92.05801	0.3
93.03389	0.3
93.07041	0.6
95.04999	0.4
95.08607	0.6
97.02904	0.7
97.06521	0.5
98.21432	0.4
103.05474	1.2
104.02604	0.4
105.03397	1.1
105.07071	0.7
107.04971	0.8
107.08566	0.7
109.02877	0.4
109.10193	0.7
117.03403	0.5
117.07021	0.7
118.04127	0.7
119.04946	43.7
120.05286	0.3
121.02875	1.0
121.06489	0.5
121.10148	0.5
124.07560	0.3
127.03927	0.6
129.03386	0.9
131.04919	0.3
132.02072	2.2
133.02882	0.6
133.06436	0.4
133.10126	0.3
134.03586	0.3
135.04407	1.4
136.05225	0.7
137.02335	0.9
137.05899	0.7
137.09673	0.3
145.02899	1.4
145.06485	0.7
147.04413	36.2
149.02341	2.3
149.06012	0.5
151.03943	0.6
153.01823	0.5
157.03987	4.3
160.01582	0.3
161.02344	0.7
161.05975	0.4
162.03136	0.5
163.03902	1.0
164.04755	1.3
165.01866	1.4
165.09142	0.4
167.03391	0.5
167.07047	0.6
175.03911	58.1
176.04379	0.5
177.01805	0.6
177.05505	0.7
179.03391	0.5
179.07059	3.4
181.04965	0.8
189.05487	0.3
192.04193	0.3
195.02908	0.3
203.03409	0.4
207.06529	100.0
208.06853	1.0
209.08118	0.5
217.04950	0.6
219.06464	0.6
249.07550	1.7
255.06551	0.4
283.06042	2.6
286.04706	0.7
287.05496	4.9
297.07578	1.1
299.05493	12.2
300.06329	1.4
311.05502	9.7
311.08685	0.4
313.06967	0.5
315.05026	0.7
321.07797	0.4
323.05640	0.5
324.06348	0.3
325.03598	0.3
325.07062	2.9
329.06564	14.5
330.07034	0.3
331.08032	0.9
339.08694	1.9
349.06915	0.5
353.06546	6.0
365.06635	1.6
367.07849	0.6
377.06558	1.9
383.07309	2.9
383.10916	0.4
395.07602	4.9
413.08685	3.0
414.92499	0.3
431.09778	6.7
449.10742	6.1
517.11255	2.0
637.15491	0.4
655.15710	0.6
655.33820	0.4
658.69733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99434	1.1
55.01861	1.8
55.05494	1.8
56.96575	1.3
61.50335	1.2
61.97376	1.1
63.32748	1.2
65.03944	1.9
67.05502	4.8
68.75332	1.2
69.03426	1.9
69.07053	2.1
71.59956	1.2
79.05487	5.1
80.57162	1.0
81.03425	2.4
81.07071	6.1
83.04964	1.3
83.08616	1.8
85.02921	2.2
91.05482	17.8
91.45264	1.1
93.07027	4.8
94.04198	2.6
95.04972	1.5
95.08594	3.4
97.02859	2.6
97.06506	1.4
97.10149	1.2
103.05473	1.2
105.07043	12.8
107.04945	4.9
107.08605	2.1
109.10146	2.3
117.07055	1.6
119.04945	23.5
119.08578	2.5
121.06506	1.5
121.10102	1.4
122.03630	3.2
127.03897	1.3
129.06985	2.6
131.08607	2.6
133.06493	23.5
133.10161	2.1
137.05989	31.4
143.08571	1.2
145.10123	2.4
147.04424	60.8
147.11606	1.4
149.05963	1.5
149.13264	1.7
151.03952	1.5
153.01781	1.8
155.08575	1.4
157.06471	5.2
163.04088	1.3
163.67807	1.1
175.03912	4.4
187.07552	4.9
191.07028	1.8
193.12331	1.4
201.05428	1.5
203.06946	1.4
242.05692	2.4
247.07750	1.5
258.05252	2.4
266.05777	1.4
270.05170	8.0
286.04691	2.2
287.05493	4.8
294.05194	2.3
295.06055	1.0
295.09662	4.8
299.05487	1.9
301.03476	2.4
302.04202	2.5
307.09695	5.2
313.03455	1.6
315.04990	35.3
316.05682	4.9
322.04819	2.6
331.08133	100.0
332.08481	1.9
339.04956	4.3
340.05655	3.1
347.15109	1.2
351.23248	2.5
355.08130	22.7
367.08002	2.7
421.64532	1.4
459.10635	1.2
475.10324	1.4
475.30893	2.3
491.06821	2.2
491.13428	29.4
509.14551	12.2
655.37433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1868
Annotation	Iristectorigenin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
61.02913	0.2
69.03408	0.7
69.50436	1.3
70.06587	0.3
73.11303	0.1
81.03390	0.3
85.02911	1.3
87.80693	0.2
95.08605	0.2
97.02866	0.6
98.21635	0.2
109.02888	0.3
113.27418	0.1
121.25861	0.2
127.03835	0.2
147.04341	0.2
153.01781	0.4
163.03909	0.2
175.03967	0.2
177.05421	0.2
178.02606	0.4
207.06390	0.2
242.05727	1.0
258.05191	0.8
269.04321	0.2
270.05231	6.8
273.03888	0.7
286.04761	1.1
287.05481	2.2
299.05478	0.4
301.03485	1.5
302.04153	1.8
313.03482	0.5
315.04980	25.3
316.05756	3.7
316.09424	0.1
331.08112	100.0
332.08484	1.1
461.16779	0.2
468.48871	0.2
493.13419	6.2
590.79120	0.1
623.58087	0.1
665.75940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04489	0.5
55.05515	0.7
63.58295	0.4
67.05501	2.2
70.56156	1.4
79.05510	1.3
81.07080	1.8
91.05488	1.4
93.07057	1.6
94.53565	0.5
95.04961	0.6
95.08617	1.1
105.07050	0.9
107.08625	0.7
109.10178	0.5
113.76555	0.4
116.32784	0.5
119.08575	1.2
129.06996	0.5
131.08563	0.5
133.10161	0.9
220.95332	0.6
238.86230	0.4
291.19553	0.8
313.12231	0.5
377.17813	0.8
391.19504	1.4
392.20276	0.8
394.86209	0.6
405.16992	1.5
405.21387	0.9
407.22488	4.3
418.17657	1.0
419.18369	2.8
420.19092	1.0
421.20203	1.4
432.19370	0.7
433.20575	4.3
434.21152	4.9
435.21829	8.4
436.22537	0.9
447.18069	2.0
447.22559	1.4
449.19797	1.8
461.18848	0.9
461.24548	0.8
462.20319	3.5
463.21265	4.1
475.21280	1.4
476.22171	1.2
477.23148	1.0
489.22672	0.9
493.26230	0.6
495.24219	1.1
507.20517	0.6
508.24698	2.3
509.25739	1.5
521.25653	11.5
535.27216	1.1
549.24988	18.8
553.24811	1.1
554.21198	1.2
563.26514	2.7
564.27374	1.0
577.24774	0.6
581.27386	2.7
595.29364	9.7
607.28882	0.7
609.27051	9.5
617.23260	0.6
623.28357	1.3
655.31250	100.0
655.39850	4.2
656.31598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35709	0.7
50.89257	0.6
53.03937	1.3
55.01865	1.4
55.05518	5.8
57.03435	2.0
57.07095	0.8
61.02934	1.3
65.03950	1.0
67.05516	6.7
69.03444	7.3
69.07078	11.9
70.06593	1.8
70.84492	2.0
71.04997	1.8
72.56065	0.6
73.02921	0.8
74.06049	1.2
79.05501	5.1
81.03434	5.7
81.07063	12.1
83.01350	1.1
83.05000	2.5
83.08626	4.4
84.08126	1.0
85.02911	11.8
85.06546	2.2
85.19662	0.6
86.09737	0.8
87.04445	0.8
88.07648	1.0
91.03963	0.7
91.05489	8.9
93.07053	6.7
95.01314	1.0
95.04973	3.4
95.08614	8.5
97.02901	4.9
97.06532	2.5
97.10164	1.6
99.00824	3.0
99.04452	2.8
99.08067	0.7
99.12675	0.6
103.05465	1.0
105.07057	4.9
107.04984	1.9
107.08598	6.3
108.89326	0.7
109.02920	3.5
109.06531	1.6
109.10164	7.0
111.04463	0.9
111.08081	2.3
111.11741	1.2
113.02361	1.1
113.06068	0.7
115.05418	0.7
117.07009	1.5
118.89925	0.7
119.04958	5.3
119.08585	4.6
120.04473	1.0
120.08099	2.4
121.02905	1.6
121.06567	1.2
121.08427	0.8
121.10166	3.9
123.04395	0.9
123.08108	1.2
123.11712	2.6
125.05984	1.1
125.09583	1.4
127.03938	3.3
127.11207	0.7
129.06990	0.9
131.04932	0.9
131.08572	1.1
133.06453	1.1
133.10147	3.1
135.04471	1.4
135.07977	1.5
135.11694	2.6
136.22108	0.6
137.05986	7.1
139.07510	0.8
139.11314	0.8
143.08620	0.9
145.04967	1.3
145.10165	2.1
147.04408	8.5
147.11685	2.1
149.06044	1.5
149.09656	1.7
149.13257	1.1
151.03996	1.1
151.07542	2.3
151.11131	0.7
153.05492	1.9
155.07062	1.3
159.08006	1.1
159.11641	1.1
161.06058	2.5
161.09682	1.0
161.13374	1.0
162.06818	0.8
163.03961	1.9
163.07597	1.3
165.05583	0.9
165.09158	3.1
165.12744	0.7
166.08653	1.4
167.07088	2.3
171.08035	0.7
171.11798	0.7
175.03909	3.8
175.07581	2.6
175.11075	1.4
177.05566	3.1
177.09169	1.3
179.07053	0.8
179.10753	1.1
181.04976	9.2
181.10144	0.8
183.06512	4.1
189.09050	3.6
189.12802	0.8
191.07106	2.3
191.10745	0.8
193.08607	1.0
193.12331	1.0
195.06540	17.5
199.13110	0.8
200.12062	0.7
203.10748	2.4
205.08612	0.8
205.12303	1.0
207.06543	8.2
209.08098	9.1
217.08746	0.8
221.08127	3.0
223.09680	11.5
231.13846	1.4
235.09723	2.1
237.11203	6.1
239.09093	1.1
241.04961	0.8
249.11340	4.9
251.12762	1.2
261.11282	0.8
263.12836	2.4
267.15982	0.8
287.05585	2.5
289.14349	1.0
291.15924	6.0
293.17517	1.2
295.05893	0.9
299.05478	0.9
300.06262	0.7
301.06885	0.6
303.15967	1.1
305.17520	10.0
311.05560	1.0
314.07932	0.7
315.04904	1.2
315.15988	1.5
329.06628	2.3
331.08185	3.0
333.17038	1.2
355.08301	2.3
457.29623	6.5
459.10864	2.1
475.30673	19.3
491.13324	3.0
492.33502	0.7
493.31671	100.0
494.31808	2.4
509.15018	0.8
534.21832	0.7
535.12756	1.1
637.15350	1.5
655.16187	3.4
655.37073	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61534	1.0
55.05507	7.4
57.03431	4.0
57.07080	39.3
57.32861	1.1
61.02932	7.5
67.05513	12.5
69.03424	1.6
69.07073	8.2
71.08636	29.7
71.59813	1.1
71.60216	1.4
73.02911	2.8
75.04481	1.4
79.05490	4.7
81.03413	2.4
81.07063	20.1
83.08625	13.6
85.02911	9.0
85.10187	20.8
87.42599	1.0
89.06039	2.2
91.03963	10.9
91.05466	4.3
93.07043	3.5
95.04964	1.6
95.08613	23.5
97.02916	5.9
97.06532	1.9
97.10165	5.9
105.07026	4.2
107.05018	1.3
107.08575	1.7
109.10159	12.3
111.11726	2.0
117.06974	2.0
119.08573	1.8
121.10160	2.1
123.11699	4.8
127.03899	2.8
131.08551	1.9
133.10173	1.8
135.08105	1.1
137.13222	1.9
145.04948	4.6
145.10176	1.4
147.11626	1.4
163.06021	4.3
165.16435	1.4
239.23726	28.0
257.24744	3.2
313.27380	100.0
331.28467	11.6
344.91089	1.1
354.66296	1.3
451.12201	1.4
475.32355	2.4
478.52725	1.5
501.01910	1.2
545.02374	1.3
592.35974	1.2
655.39612	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	656.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05513	3.5
55.30195	0.4
56.05023	0.7
57.03433	1.0
57.07063	0.9
65.03939	0.5
66.92047	0.4
67.05509	6.1
69.07067	3.9
70.06586	0.9
71.60994	0.8
79.05495	3.9
81.07066	6.5
82.06569	2.1
83.04964	0.5
83.08604	1.5
84.73575	0.5
91.05499	2.5
93.07033	4.9
94.06560	1.3
95.08590	4.4
96.08138	0.9
97.10139	0.7
97.44147	0.5
98.09654	0.6
98.98515	0.6
104.29400	0.4
105.07020	2.0
106.06549	2.0
107.07346	5.7
107.08551	3.0
108.08120	7.3
109.10143	2.1
110.09673	1.5
111.11716	0.5
117.07031	0.7
118.06249	0.5
119.08586	1.9
120.08125	0.6
121.08852	1.1
121.10160	1.3
122.09665	2.3
124.01548	0.5
124.07604	0.5
124.11212	2.3
124.99986	2.0
127.41315	0.6
133.10110	1.6
134.09656	7.4
135.10440	34.0
135.11624	2.1
136.11208	2.7
137.12044	0.6
144.30576	0.6
148.11232	1.8
149.12039	3.0
149.13095	0.7
150.12773	3.4
151.13577	0.8
152.14355	3.9
161.13348	0.7
162.89278	0.4
167.09447	3.2
176.14378	0.9
178.15913	49.4
180.17474	13.3
196.16975	4.0
204.04227	0.8
222.08942	1.6
222.18539	5.5
240.19614	1.6
276.13608	77.8
278.15054	1.4
320.16217	100.0
321.16501	0.9
337.27383	6.3
391.44577	0.5
440.57874	0.5
594.39178	0.7
606.79688	0.5
612.40240	2.5
638.41449	1.5
656.42883	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	656.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47142	5.8
53.03957	6.4
55.01873	7.7
55.05508	30.0
57.03423	18.9
57.06865	5.3
57.07085	57.4
67.05510	79.4
69.03435	12.8
69.07072	56.1
71.04991	20.1
71.08637	49.7
71.09474	5.3
71.59306	7.9
79.05497	67.1
81.03426	25.1
81.07056	100.0
83.04968	15.2
83.08627	30.2
85.06535	7.0
85.10190	20.6
91.05492	56.7
93.07045	59.3
95.04964	15.9
95.08620	70.3
97.06538	82.8
97.10184	11.2
99.08072	9.3
105.07034	30.9
107.04945	10.2
107.08582	25.2
109.06535	26.2
109.10169	37.8
111.08089	6.8
112.07600	9.8
115.07573	21.0
117.07029	11.5
119.08556	19.7
121.06522	6.7
121.10164	18.3
123.08081	7.3
123.11638	7.7
125.09637	8.1
131.08612	31.2
133.10117	21.1
135.08092	7.6
135.11700	15.8
143.08592	6.9
145.10182	12.5
147.08099	6.1
147.11656	8.2
149.09607	8.4
149.13290	10.2
159.11697	12.6
161.09579	5.4
171.11728	5.8
173.13347	6.8
175.11090	7.9
177.12694	8.8
195.13965	8.4
217.16022	9.0
233.15442	7.1
267.15915	6.6
273.18588	29.6
291.19519	15.7
312.29431	5.4
313.27374	97.9
347.21851	11.6
365.23370	11.2
385.60062	5.9
390.56696	6.5
416.57495	6.4
416.62820	6.0
507.40472	52.6
535.40051	6.2
603.46216	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	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.7
69.83362	5.9
69.83769	2.3
77.22113	1.2
81.07055	3.1
86.50407	1.4
91.05523	1.5
93.07055	2.8
95.08614	3.1
107.08598	1.8
109.10166	1.7
119.08568	1.7
192.28642	1.4
197.10719	1.7
200.29605	1.5
221.10609	2.1
223.12355	2.5
233.10866	1.7
246.11412	1.5
258.11804	1.7
259.12418	1.8
261.13940	1.9
273.13901	2.3
285.39618	1.5
290.16626	1.7
316.14688	1.7
337.15500	2.4
338.16824	2.1
350.16345	1.8
364.17670	2.6
365.17819	3.7
366.19073	1.7
375.16864	1.5
376.18015	1.8
377.17841	3.0
379.19595	2.6
380.20453	1.8
381.20605	1.8
390.19150	1.8
391.19269	4.6
392.20438	3.2
393.17145	5.0
393.21265	2.4
394.18161	2.2
405.21152	2.4
407.18607	5.3
407.22867	3.4
408.19440	4.7
409.20172	5.9
419.18356	2.3
421.19467	7.0
421.24783	2.8
422.21127	3.2
423.16727	1.9
423.21835	22.9
424.22141	4.0
431.19266	1.8
435.22357	9.4
436.22366	4.6
437.23395	4.9
446.21118	2.2
447.21957	1.8
449.23441	4.8
450.24115	4.4
451.21207	5.1
453.22449	2.1
454.20059	3.4
456.22659	2.2
461.23746	7.9
462.21176	2.9
463.21283	5.7
465.22995	4.8
466.23526	2.0
467.24869	2.4
468.25082	3.4
476.22058	2.2
477.23471	6.8
478.23727	5.3
479.25180	7.8
481.22449	2.5
493.22449	7.2
494.26080	5.7
495.23669	18.3
496.24188	3.2
505.22415	2.6
506.23599	1.5
507.23727	2.6
508.24759	19.1
509.25565	13.2
510.26376	11.1
511.27338	15.4
516.25146	2.3
519.24097	2.8
521.25934	7.0
522.26123	3.8
523.23157	6.6
525.28436	2.0
526.29041	4.3
530.36401	1.6
537.25049	26.6
538.25751	13.1
549.24603	1.9
551.23175	1.8
553.28717	12.1
555.25983	4.1
565.24561	4.2
566.25079	2.2
570.28217	4.7
581.27600	26.0
583.25513	8.0
595.29486	2.1
597.27118	54.0
598.27679	10.0
607.25555	2.9
613.30304	73.4
614.30334	2.0
625.26599	100.0
626.27161	2.3
657.29010	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	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.07076	1.3
60.05645	2.3
67.05508	3.3
69.07076	2.3
69.27234	9.6
71.08615	1.1
79.05511	2.3
81.07057	4.0
83.08623	0.9
91.05496	1.5
93.07052	3.9
95.08610	2.7
105.07024	2.5
107.08590	1.7
109.10194	1.5
117.06981	1.4
121.10194	1.2
132.08138	0.9
133.10141	1.1
145.10176	0.9
146.09668	1.3
159.09137	1.1
217.94846	1.0
221.10712	1.9
227.12868	1.1
233.10887	1.5
235.12448	1.1
237.06612	0.9
237.13939	1.9
247.12311	2.0
249.13812	1.7
261.13821	2.8
269.76434	1.0
273.13892	1.5
275.15485	1.3
287.15396	1.5
288.16376	1.1
289.16965	1.5
302.13116	0.9
314.16721	1.1
318.16299	1.3
340.18076	1.6
348.14951	1.1
349.15024	1.0
353.18884	1.5
354.19409	1.6
356.21710	1.1
362.16455	2.2
363.16135	1.3
364.17673	1.6
365.17569	2.6
376.17676	2.4
377.17691	2.9
378.19107	2.0
379.15051	1.4
379.19327	5.4
381.21106	1.8
389.17825	1.4
390.19196	1.9
391.19193	3.6
392.20056	3.0
393.16891	2.9
393.20834	3.6
394.17953	1.4
395.18338	1.3
403.19449	1.3
405.16660	1.4
405.21149	2.8
406.22128	1.8
407.18515	2.9
407.22501	3.5
408.19495	3.7
409.20233	7.0
419.18478	2.0
420.19360	1.7
421.19650	6.2
421.24731	2.1
422.21210	4.8
423.21979	20.5
424.22092	2.1
431.18805	1.8
434.21249	1.8
435.22159	10.7
436.22348	4.6
437.23221	4.3
442.21030	1.3
446.20801	2.4
447.21872	2.9
449.23102	3.8
450.24612	1.1
451.20789	5.1
452.22818	1.5
453.23288	2.2
454.19931	5.2
461.23703	6.9
462.20514	1.7
463.21704	5.7
464.22122	3.0
465.23785	4.4
466.21841	1.7
467.24332	3.9
468.24860	3.7
476.22360	2.6
477.22974	6.9
478.23911	2.5
479.24133	5.2
481.22287	3.0
482.22903	1.1
489.22971	1.3
491.20599	1.9
493.22461	6.2
494.27255	4.3
495.23618	14.5
496.24857	5.9
505.22971	1.5
507.24142	1.2
508.24829	16.4
509.25638	11.2
510.26563	10.7
511.27298	14.2
521.25873	6.8
522.25745	3.0
523.23328	4.9
525.29224	2.1
526.28967	3.4
537.17255	1.9
537.25055	23.8
538.26038	9.5
545.38440	3.7
549.24597	1.6
551.22778	2.6
553.28564	10.8
555.25708	3.0
565.24658	6.9
566.25433	1.1
570.28632	5.2
581.27686	27.7
582.25012	2.7
583.25604	8.6
593.23346	1.4
596.27570	1.4
597.27124	55.0
598.27667	10.5
607.25653	2.4
613.30243	70.9
614.30054	2.4
625.26624	100.0
626.26459	4.0
657.29065	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	657.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05518	7.3
57.03418	2.6
57.07077	1.4
57.20937	0.8
59.04998	1.1
61.02914	1.6
65.03931	2.0
67.05506	11.1
69.03434	9.0
69.07073	11.9
69.92727	2.9
70.06597	1.8
71.04981	3.9
73.02892	1.4
74.06065	2.4
79.05502	7.8
81.03414	6.0
81.07059	22.5
83.01315	1.7
83.04971	2.4
83.08611	4.1
85.02911	15.8
85.06559	1.6
86.09730	1.5
87.04459	1.4
91.03899	1.0
91.05486	14.8
92.05798	1.0
93.07053	14.3
95.01312	1.5
95.04969	3.5
95.08606	17.8
97.02899	6.3
97.06525	2.9
97.10173	2.5
98.21462	1.0
99.00826	6.5
99.04468	5.5
104.12134	0.9
105.03389	1.0
105.07014	6.5
107.04951	2.4
107.08598	12.8
109.02904	4.4
109.06513	2.9
109.10153	13.9
111.08065	1.1
111.11734	1.3
113.02333	1.5
115.05429	0.9
117.07043	1.8
119.04948	12.4
119.08589	3.0
120.05262	1.2
121.02884	3.1
121.06463	2.1
121.10150	8.0
123.04476	1.2
123.08058	1.6
123.11713	5.7
125.06021	1.4
125.09632	1.4
127.03912	4.8
127.11210	1.2
128.06229	1.0
131.08554	1.3
132.04367	0.9
133.06485	1.9
133.10110	2.7
135.04410	2.3
135.08073	1.9
135.11688	7.2
136.07568	1.2
137.05960	6.0
137.09647	0.9
137.13245	2.7
138.33348	0.8
139.07602	1.6
143.08530	1.1
145.02806	1.9
145.10118	2.9
147.04422	11.5
147.11655	1.9
149.02318	1.3
149.05966	2.4
149.09659	2.0
149.13245	3.3
151.03877	1.2
151.07492	1.2
153.01883	1.8
153.05429	4.0
153.12801	1.4
155.07117	1.7
157.04019	0.8
161.06024	1.8
161.09637	1.7
163.03885	3.4
163.07545	2.3
163.11176	1.6
163.14836	1.0
164.07140	1.1
165.07835	1.2
165.09103	8.4
167.07048	4.4
171.08041	2.0
173.13268	1.3
175.03903	17.6
175.07550	3.6
176.04242	1.1
177.05473	9.5
177.09140	2.2
179.07010	2.0
179.10677	2.2
181.04961	15.2
183.06503	5.5
189.09109	14.9
189.12675	1.0
191.07060	2.5
191.10674	1.7
191.17827	1.1
193.04944	1.0
193.08624	2.6
193.12141	1.4
194.08844	1.0
195.06541	30.9
203.10674	4.1
205.08641	2.7
205.12172	1.5
207.06535	37.4
207.14027	0.8
208.06923	2.6
209.08130	15.0
217.12187	0.9
221.00700	0.9
221.08023	1.2
223.09659	23.0
224.09842	1.0
235.09688	2.6
237.11226	21.3
249.11234	14.9
249.13744	1.6
251.12729	6.0
263.12808	4.8
265.14359	2.6
275.13190	0.9
277.14209	2.4
279.16046	1.6
286.04767	1.2
287.05579	6.3
288.05801	4.4
289.06049	3.4
291.15720	1.8
293.17438	2.5
298.08215	0.9
303.15732	0.9
305.17551	3.8
307.18967	2.8
315.05087	1.7
315.08563	1.3
317.17355	2.3
319.18997	3.4
329.06317	1.0
331.08102	2.7
335.18570	1.1
351.10794	1.7
363.32999	0.9
369.12042	1.1
415.32330	1.1
441.30133	10.2
459.31076	100.0
460.31451	1.7
477.32162	40.9
478.32678	1.4
495.12784	3.8
495.33182	67.5
496.33981	1.2
615.06110	0.8
656.77631	0.9
657.38757	8.6
658.38477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05511	10.4
57.03436	2.1
57.07071	4.0
61.02916	2.6
65.03918	1.7
67.05505	19.3
69.03436	10.5
69.07072	20.7
70.06582	3.3
70.34438	4.7
71.04982	3.4
79.05490	11.5
81.03425	5.9
81.07059	47.5
83.01347	3.4
83.04970	3.4
83.08614	8.0
85.02914	13.5
85.06530	9.1
87.04482	2.4
91.05487	10.6
93.07050	21.6
95.01311	1.5
95.04961	4.1
95.08610	29.2
97.02870	4.9
97.06525	4.0
97.10170	2.7
99.00814	12.8
99.04460	7.8
99.08105	1.2
105.07039	8.0
107.04971	2.8
107.08598	18.8
109.02863	4.8
109.06493	3.4
109.10152	20.5
110.09684	1.6
110.10478	1.3
111.08135	1.6
111.11733	1.6
113.02361	3.5
117.01851	1.4
117.07028	1.5
119.04943	5.6
119.08595	4.3
121.02855	4.0
121.03863	1.2
121.06519	2.5
121.10162	12.4
123.11700	9.6
125.06003	2.3
125.09581	1.9
127.03895	5.3
129.07080	1.3
131.08539	2.2
133.06477	2.5
135.04440	2.4
135.08012	2.6
135.11722	8.6
137.05965	5.9
137.09604	1.4
137.13277	2.3
139.07564	2.6
143.08594	2.9
145.02864	1.9
145.10127	3.5
147.04472	5.6
147.11655	2.0
149.02339	2.4
149.06038	2.4
149.09547	1.6
149.13243	8.4
151.03897	1.7
151.07533	4.1
153.01846	1.4
153.05510	5.8
155.07031	3.3
157.10101	1.4
159.08037	1.8
159.11694	2.0
161.05904	3.1
161.09642	1.9
163.03871	3.5
163.07431	2.9
163.11211	1.6
163.14771	3.5
165.09100	7.3
167.07005	3.3
171.08095	1.4
173.09561	1.5
175.03902	4.8
175.07497	5.4
175.11136	1.4
177.05499	14.9
177.09082	4.0
177.12778	1.3
179.10664	3.2
181.04962	27.0
183.06549	12.0
185.09610	1.8
189.09105	24.9
191.07011	4.0
191.10661	3.5
195.06540	59.7
201.09140	1.3
203.10641	4.8
205.08582	3.1
205.12267	1.8
207.06517	14.2
207.10138	1.2
208.06879	2.9
209.08110	23.7
217.08514	1.2
217.12228	1.7
219.10181	2.2
219.13713	1.5
221.08066	4.1
223.09644	41.7
235.09683	5.0
237.11229	37.5
249.11211	23.2
251.12793	7.3
261.11200	3.3
263.12793	6.5
265.14307	3.2
275.12735	4.8
277.14337	3.6
279.15936	1.8
287.05423	3.6
289.14398	5.3
291.15909	6.7
293.17404	4.1
302.07080	1.3
303.15738	2.7
305.17551	9.4
307.19049	4.0
310.13660	1.3
314.13925	1.7
315.04984	4.7
315.16110	1.3
316.05405	1.4
317.17462	3.5
319.18933	1.8
330.06824	2.4
331.08102	13.3
333.20532	3.1
359.22226	1.8
362.28970	1.4
375.25259	5.2
385.23627	5.9
403.24817	73.0
404.24933	1.4
421.25671	2.8
441.30026	18.7
459.31061	100.0
477.32144	100.0
478.32568	2.5
495.12094	4.0
495.33185	63.1
639.37128	2.0
657.25909	1.2
657.38019	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	658.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01869	0.4
55.05508	0.8
57.03439	0.9
57.07082	6.1
58.06588	1.6
61.02930	3.0
65.03939	0.8
67.05511	2.3
69.03429	1.6
69.05772	0.3
69.67686	0.9
69.68087	2.0
70.06598	16.3
71.08644	2.9
71.21542	0.4
73.02912	1.2
79.01780	0.3
79.05494	1.6
80.18267	0.3
81.03441	1.4
81.07063	1.8
83.08591	0.6
84.08096	0.4
85.02911	3.8
85.10185	0.8
86.06113	0.5
88.07637	20.0
91.03983	2.0
91.05488	1.4
93.07056	1.6
95.04984	0.6
95.08618	1.4
97.02917	2.4
102.09184	16.1
102.09867	0.8
103.03941	0.4
103.05429	0.4
105.03387	0.7
105.07055	0.7
107.08605	0.8
109.02917	0.5
109.10172	1.1
117.07035	0.4
119.08605	0.5
121.10144	0.9
122.86707	0.3
123.11652	0.4
127.03946	1.2
131.04999	0.8
131.08591	0.8
133.10158	0.4
135.11703	0.5
136.93867	0.3
145.04970	0.8
145.10132	0.9
147.04445	0.8
149.02350	33.4
157.10153	0.4
175.03944	1.2
177.05510	1.5
183.06532	0.6
185.29910	0.5
193.04982	41.6
212.23763	0.6
219.06636	1.5
225.05550	0.7
237.05243	0.7
237.07599	11.4
237.09908	0.6
256.26373	46.7
269.04523	1.7
291.19553	0.4
297.03986	2.4
300.28894	0.9
313.07013	2.6
335.25986	2.1
341.06595	9.1
343.07971	0.6
359.07648	6.2
385.09232	18.0
403.10413	0.5
429.11847	27.8
430.12463	0.8
640.34253	1.9
658.35883	100.0
659.36145	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	658.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16922	0.3
53.03939	0.5
55.01875	0.7
55.05518	1.8
56.05034	5.8
57.03438	5.1
58.06596	2.4
59.03740	0.5
59.04999	0.9
61.02922	0.9
63.88509	0.3
67.05505	3.4
68.05029	0.5
69.03432	17.8
69.07071	1.3
70.06593	5.4
71.01368	0.3
71.04999	1.0
71.36507	0.5
72.04509	0.8
72.08157	0.5
73.02921	1.3
73.05297	0.6
74.06081	100.0
75.04495	0.5
79.02164	0.3
79.05495	1.8
81.03419	2.0
81.07063	3.8
82.06571	0.6
83.05003	0.7
83.08609	1.1
84.04527	0.5
84.08138	1.4
85.02908	16.2
86.06078	1.8
87.04469	7.8
88.07632	3.4
91.03932	0.5
91.05503	1.7
93.07051	2.2
94.06551	1.6
95.04987	0.7
95.08606	3.2
96.08134	1.2
97.02898	11.8
97.06548	0.4
97.10161	0.4
98.06057	1.4
98.97614	0.3
99.04472	0.7
100.07607	1.6
104.07113	0.9
105.07046	1.0
107.04956	0.6
107.08596	1.2
108.08106	0.6
109.02895	1.3
109.10146	1.6
110.09704	0.3
111.05582	0.5
111.08089	0.3
115.03939	5.6
116.07124	1.5
118.08667	1.5
119.04935	0.7
119.08612	0.5
120.08142	0.4
121.06462	0.5
121.10123	1.4
122.09686	0.3
123.05527	0.4
123.11725	0.7
124.07612	0.5
127.03920	1.7
127.40629	0.3
133.04988	2.5
133.10085	0.7
135.11685	1.1
137.05992	0.6
140.07027	0.3
141.06570	0.9
145.02818	0.3
145.04990	0.7
147.04433	0.6
149.13315	0.3
167.07001	0.3
167.67010	0.4
175.03937	1.2
175.14955	0.4
177.05455	0.7
201.97470	0.3
205.04678	0.3
207.06543	1.5
262.25278	0.7
266.24808	0.6
271.16553	0.8
272.16913	0.7
274.25412	0.7
280.26453	0.8
292.26358	4.2
310.27399	6.3
328.28491	7.4
346.29547	12.3
364.30569	31.4
365.30908	0.6
370.29852	0.5
388.30664	0.5
406.31723	1.2
478.34048	0.6
490.33618	0.5
496.34903	5.3
508.34872	3.4
526.35907	28.3
527.36261	0.9
568.37140	0.8
640.28455	0.5
640.38983	4.2
658.40076	85.2
659.40491	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	658.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68500	0.9
53.82088	1.0
55.05503	2.8
57.06813	1.9
57.07080	26.4
58.51955	1.0
59.04979	1.0
60.17583	0.9
67.05500	2.3
69.07067	4.6
69.29199	1.2
71.08273	1.6
71.08637	25.0
71.61314	1.4
73.06570	7.5
75.17728	1.0
79.05514	2.1
81.07050	3.4
83.04950	1.0
83.08627	3.2
85.10193	14.3
87.04470	7.9
89.06038	100.0
89.50220	1.0
91.05485	1.7
93.07059	2.1
94.01818	1.0
95.04989	1.6
95.08614	3.0
97.10177	3.9
99.11733	2.3
103.27786	1.0
104.22674	1.0
107.07109	1.1
107.08603	1.3
109.10189	1.9
111.02029	1.1
111.11716	1.7
113.13297	1.9
117.09135	5.9
119.08597	1.3
125.13251	1.6
127.14865	1.2
130.08656	2.1
131.07039	2.6
133.08618	51.5
177.11227	21.6
177.12669	1.9
179.84659	1.1
183.21135	2.3
220.08858	1.0
221.13850	4.7
227.23636	1.6
271.26349	4.8
280.23468	1.1
283.17715	1.6
292.19687	1.2
315.28821	2.8
324.67175	1.1
459.27740	5.0
640.42969	1.5
641.48230	2.2
658.50696	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	658.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01881	3.1
55.05509	21.1
57.03448	13.1
57.07079	38.8
59.05017	2.4
64.96576	2.2
65.03921	2.9
67.05160	5.0
67.05507	78.0
69.03432	3.1
69.07070	24.9
71.04995	8.0
71.08640	27.4
79.05494	28.8
81.07060	53.3
83.04980	5.8
83.08631	22.3
85.06533	5.6
85.10181	14.3
87.04494	2.7
89.06037	16.4
91.05487	19.1
93.07043	25.2
95.04955	2.2
95.08607	39.5
97.06529	5.7
97.10188	13.7
103.07642	2.4
105.07034	16.4
107.04965	4.2
107.08608	24.5
109.06540	5.2
109.10160	55.5
117.07020	7.1
119.08604	18.3
121.10142	10.5
123.08124	2.9
123.11703	5.8
125.09671	12.9
127.29376	2.6
127.53876	2.4
129.07014	3.8
131.08578	10.3
133.08617	8.8
133.10117	11.0
135.08055	4.3
135.11665	4.0
137.09619	2.6
145.10141	10.6
147.08023	4.3
147.11644	6.6
149.09627	4.5
159.08127	4.3
159.11736	5.1
161.13344	2.9
171.11661	3.3
173.11726	6.6
173.13152	2.9
174.11935	2.6
177.11234	3.8
177.12872	2.4
189.11234	4.5
221.35843	2.5
227.12787	23.0
229.14351	58.9
239.17853	2.6
239.23746	2.6
257.18939	5.3
269.17462	18.3
275.20050	26.7
279.26550	2.5
289.17960	4.1
293.21103	4.1
313.27359	100.0
324.27264	2.4
331.22723	2.7
335.25867	4.7
349.23630	20.7
367.24939	11.2
396.96707	2.7
421.66672	2.6
467.37326	41.2
507.40378	28.2
587.46851	24.8
587.65515	3.2
605.47729	10.8
623.42322	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	659.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79436	0.1
53.03899	0.1
55.05459	0.2
67.05483	0.2
69.03367	0.3
69.07024	0.2
70.06551	0.3
81.03374	0.3
81.07031	0.3
84.08092	0.2
85.02833	0.6
86.09678	0.2
88.99765	0.1
91.05399	0.5
93.07015	0.2
95.04919	0.2
95.08547	0.2
97.02804	0.2
105.06976	0.2
107.04916	0.3
107.08575	0.2
109.02872	0.3
109.10101	0.2
119.04884	0.3
119.08510	0.2
121.02837	0.2
121.06452	0.2
121.10075	0.2
133.10126	0.3
135.07986	0.2
137.02298	0.2
137.05998	0.3
145.02817	0.2
147.04427	0.6
148.61128	0.1
149.05939	0.1
151.03807	0.2
153.01820	0.4
153.63007	0.1
154.02534	0.2
163.03862	0.3
167.06970	0.3
175.03976	0.2
177.05440	0.3
178.02568	0.4
180.10361	0.1
181.04927	0.5
207.06456	0.3
210.90593	0.1
241.04861	0.2
242.05722	2.0
258.05267	1.8
269.04382	0.3
270.05246	9.4
271.05768	0.3
273.03958	1.2
285.03720	0.2
285.06671	0.2
286.04718	1.3
287.05493	4.3
288.06299	0.2
298.04630	0.2
299.05624	0.8
301.03427	2.3
302.04230	2.8
313.03461	0.9
315.04990	38.8
316.05743	4.6
329.06583	0.1
331.08121	100.0
332.08466	1.6
343.44611	0.1
360.69705	0.1
493.12634	0.2
497.14523	27.0
498.14786	0.6
659.20813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04686	11.4
54.55507	9.3
55.01875	11.4
55.05508	12.6
67.05498	45.1
69.07069	22.7
71.60233	13.7
79.05483	19.6
81.07043	37.8
83.04950	10.1
83.50078	9.5
85.06550	10.7
89.06025	45.0
91.05473	24.7
91.26958	10.9
93.07030	18.3
95.04961	12.3
95.08600	27.2
105.07018	21.9
107.08611	16.9
119.08602	18.1
133.08620	37.5
136.06204	36.5
151.91121	11.1
250.71803	10.4
328.17798	10.4
553.57013	10.2
619.54077	11.5
641.44232	11.0
659.22473	100.0
659.45557	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	659.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
61.02942	2.4
67.05503	7.6
69.03429	2.7
70.11726	1.8
70.45210	6.2
72.88221	2.0
79.05499	4.9
79.18285	2.3
81.03397	2.3
81.07057	5.6
85.02890	3.3
90.80836	1.8
91.05470	6.1
93.07043	5.4
94.06574	6.1
94.92136	1.8
95.04973	2.8
95.07340	5.6
95.08649	3.4
96.08146	10.0
97.02938	3.3
97.06527	2.9
105.07050	4.8
106.10476	1.8
107.08656	4.7
108.04448	4.0
108.08121	7.4
110.09698	16.7
117.07003	2.4
120.08118	13.6
121.06563	2.2
122.06028	7.3
127.03959	4.2
129.06972	2.6
133.10138	2.2
136.07605	5.2
138.09160	21.6
144.19901	1.9
148.07538	4.8
152.07085	2.7
160.03937	10.4
166.08662	24.7
180.10158	3.4
204.06602	2.9
211.08829	2.5
211.12363	3.6
213.10226	3.8
223.08743	3.6
225.10213	17.3
226.11057	9.0
227.09392	1.7
227.11777	6.1
237.10252	6.7
238.10997	3.6
239.08160	10.3
239.11798	25.5
240.12566	5.7
249.10207	6.2
250.10915	4.9
251.08134	3.2
251.09430	2.4
251.11800	21.4
252.12543	4.4
253.09799	7.4
253.13423	5.2
254.10492	9.8
258.05334	2.2
263.09390	1.8
263.11795	13.2
264.12601	2.2
265.09808	6.5
265.13464	12.1
266.10516	3.9
266.14166	2.6
267.11313	5.9
271.10611	2.1
279.11279	9.2
281.12820	12.4
283.10861	5.4
285.12375	6.7
286.04675	2.8
286.13153	2.7
291.11316	2.4
293.12860	7.0
297.12228	4.5
297.15805	1.9
298.13098	6.2
299.13931	37.6
301.07043	15.6
309.12366	4.0
310.13095	6.0
311.13831	13.8
313.15454	38.8
323.13858	23.2
324.14426	2.3
325.15479	30.0
339.13397	3.7
340.14368	2.7
341.14981	100.0
351.13382	6.7
353.14923	4.7
371.15988	3.1
372.17184	3.1
373.17627	25.2
376.15607	1.7
383.16061	35.3
384.16638	4.5
385.17651	27.7
446.20856	22.8
462.20258	21.2
474.20346	18.0
494.22888	66.0
497.17838	2.3
506.22934	61.6
507.23520	2.1
509.18088	6.2
523.19861	4.6
524.20795	4.2
526.18524	3.0
537.24500	2.7
538.24860	2.2
569.20288	15.5
587.21808	4.2
616.15778	2.1
627.28113	3.0
628.21594	5.6
659.23376	46.8
660.23755	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	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.2
55.01865	6.8
55.05519	10.1
57.03185	2.0
57.03442	21.5
57.07072	2.1
61.02930	80.7
65.03938	3.0
67.05164	2.5
67.05507	38.1
68.66911	1.5
69.03433	36.2
69.07069	9.5
71.01340	5.5
71.04979	4.2
71.34348	3.1
73.02921	26.1
75.04464	1.8
79.05050	2.2
79.05496	31.5
81.03421	25.2
81.07059	37.0
83.04980	5.1
83.08602	3.8
85.02908	100.0
87.04462	2.7
91.03388	2.7
91.03957	54.7
91.05482	16.7
93.07048	33.1
95.04948	4.7
95.08613	31.7
97.02898	80.4
97.06520	2.8
97.10147	2.5
99.04471	12.7
101.02407	7.5
103.03934	8.1
105.07044	10.2
107.04939	3.4
107.08597	18.8
109.02879	13.6
109.06510	2.2
109.10162	17.7
111.04436	3.6
111.08073	2.7
115.03913	6.6
117.05517	2.9
117.07026	4.9
119.04871	1.9
119.08579	11.0
121.06470	1.6
121.10139	16.1
122.69927	1.5
123.11701	4.4
127.03926	38.0
129.05475	6.8
129.06999	2.7
131.08575	10.0
133.10133	8.0
135.11705	12.0
135.89320	1.4
142.07718	1.8
143.08585	1.5
145.04971	26.3
145.06064	1.2
145.10118	8.5
147.11664	5.9
149.13261	7.0
159.06512	2.4
159.11728	7.7
161.13278	6.1
163.06018	8.5
163.11115	2.1
163.14816	3.2
171.11615	2.4
173.13263	4.8
175.14833	2.6
177.16280	1.7
183.06509	4.8
183.11801	1.6
187.14838	4.1
201.07489	4.7
203.14503	1.6
239.14091	2.0
243.21106	3.3
261.22134	17.1
265.88962	1.7
275.20132	1.4
303.23352	1.7
327.23413	1.6
335.25812	58.0
351.23138	2.6
363.25336	2.1
369.24039	2.2
443.27985	3.4
479.30014	7.2
497.30365	2.2
659.36664	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	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
56.96514	9.7
67.05437	1.3
69.07028	0.6
71.59544	0.4
71.95266	2.1
72.95979	0.4
74.44777	0.4
74.97571	0.7
79.05461	0.9
81.03345	0.5
81.07002	1.2
83.08569	0.7
84.95978	1.7
91.05406	1.0
93.06992	1.2
95.08569	0.4
97.96796	0.8
98.97532	1.1
105.07006	0.6
107.08533	0.7
110.96944	0.5
110.97567	5.5
115.00683	0.5
116.98579	0.9
119.08529	0.4
120.78925	0.4
121.10069	0.4
124.99050	0.9
128.98615	4.8
129.99416	2.4
131.00116	0.5
133.10062	0.8
134.34668	0.4
141.99333	0.7
143.00096	1.4
143.97293	0.4
146.99643	3.2
147.11649	0.6
148.00443	2.9
153.02153	0.8
157.01698	0.6
160.00447	2.3
161.01222	2.1
161.98291	0.8
163.11104	0.4
165.02225	0.4
169.01743	0.6
171.03310	2.7
172.00269	0.5
173.01250	0.6
175.02693	0.6
181.05273	0.8
182.99550	0.9
183.03278	1.0
184.04034	1.5
185.01183	0.7
185.04826	2.2
186.01936	1.0
187.02618	0.5
189.04366	2.2
193.01862	0.4
193.03777	0.4
197.01208	4.9
197.04768	1.4
199.02707	1.2
199.06432	6.5
201.00676	1.5
201.04350	0.8
201.07954	0.5
202.05043	1.0
203.02238	0.8
203.05946	2.1
204.03015	0.7
205.07378	0.8
209.04874	0.6
211.02727	0.8
211.06401	0.9
213.04381	0.7
213.07896	1.8
215.02284	6.3
215.05766	1.1
217.03844	0.5
217.07439	3.8
218.00955	0.5
221.04808	1.1
222.08081	0.7
223.02794	0.8
223.06393	0.8
225.04279	0.7
227.05945	2.1
228.06581	0.5
229.03969	0.6
229.07480	7.4
230.04529	0.6
231.09042	1.7
237.04327	0.8
238.03810	0.5
239.05913	5.3
239.09604	0.7
240.06689	3.0
241.07420	1.9
241.11064	1.7
243.09215	0.7
244.06203	1.4
245.07024	1.9
247.08524	2.9
253.11156	1.0
255.09058	0.6
257.06973	17.5
257.10840	0.9
258.07767	17.5
259.08368	1.5
259.12189	1.4
262.07358	0.5
269.10669	0.7
272.05710	1.3
275.08002	3.4
276.08850	6.2
279.08994	0.8
280.09140	1.6
281.09283	1.6
285.14908	0.5
289.14670	1.1
290.06656	1.6
295.12244	0.7
298.10791	0.9
299.10150	0.4
307.15799	1.2
313.14722	1.5
331.15811	22.2
347.15118	0.7
349.16864	100.0
350.17282	1.8
351.17950	0.7
367.17932	36.1
369.19223	0.6
372.18744	1.9
385.18616	0.6
390.19553	11.5
436.22156	0.5
529.10406	0.4
641.36957	0.6
659.38330	29.6
660.38135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.11924	0.5
56.96568	20.6
57.56329	0.6
67.05491	1.1
69.07059	0.7
70.10868	1.8
71.95265	2.8
72.96037	1.0
74.97587	0.6
79.05465	2.0
81.03410	0.7
81.07030	1.9
84.96027	1.2
85.02888	0.5
91.05452	1.0
93.07005	1.7
95.04966	0.8
95.08591	1.2
97.06483	0.5
97.92301	0.5
97.96848	1.1
98.97598	0.8
105.06995	1.1
107.08604	0.9
110.97583	1.4
115.00677	0.7
116.98639	0.6
119.08577	0.7
128.98651	2.7
133.10149	0.8
134.99649	0.6
137.02724	1.4
145.10170	0.5
146.99658	1.2
155.03738	0.9
167.03792	0.8
171.03201	0.8
173.04802	1.1
181.05270	1.1
183.03357	0.5
183.06905	1.5
185.04863	1.9
187.02934	0.6
187.06438	1.0
193.05531	0.5
195.06935	1.9
197.04793	0.5
197.08524	0.5
199.06412	9.0
201.04407	0.5
201.07980	3.0
203.05943	2.2
203.09114	0.6
211.06386	5.5
213.07983	22.2
215.05843	0.5
217.07484	6.8
219.09050	1.7
222.08047	0.5
225.07974	1.8
227.09558	1.5
229.07480	41.5
231.09044	23.0
236.09520	1.6
241.07582	0.5
243.09044	12.8
245.10738	1.2
247.05977	1.1
247.08548	22.6
251.09589	0.7
252.09140	3.6
253.10960	0.7
254.10635	1.6
255.08990	1.5
261.10083	6.2
266.10736	1.4
267.09027	1.4
267.27209	0.5
269.10629	2.5
270.10156	1.0
273.10056	0.7
285.10043	0.7
303.16385	1.0
313.14758	1.5
319.15866	0.6
321.17337	0.5
331.15775	8.2
349.16858	100.0
350.17294	2.0
367.17935	23.8
368.17999	0.6
372.18332	1.5
390.19543	8.6
521.27728	0.8
659.38287	15.7
660.38745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96515	14.0
56.96826	1.1
65.03922	0.3
66.94859	0.3
67.05466	0.6
69.07010	0.9
70.98366	0.7
71.95277	1.7
72.95988	0.9
74.97567	0.8
79.05507	4.3
81.06986	1.1
84.95989	0.9
85.02908	0.3
89.33659	0.3
89.46314	0.3
91.05430	1.1
91.25167	0.3
93.06978	0.9
95.04922	0.4
97.96778	0.8
98.97578	1.8
103.00664	0.5
105.00104	0.5
105.06959	0.9
107.08528	1.3
109.06417	0.3
110.97579	3.4
115.00652	0.6
115.97773	0.3
116.98544	0.9
119.08554	0.4
121.01714	0.4
123.01135	0.7
127.00600	0.4
128.98618	4.8
129.02194	0.5
131.00111	0.6
131.08614	0.3
133.01691	0.4
137.02702	0.8
139.00613	0.5
141.02203	0.5
143.00089	0.6
145.01701	0.4
146.99658	1.9
147.03297	0.5
147.04404	0.3
151.00568	0.4
153.02148	0.8
155.03745	0.8
157.01669	0.7
159.03249	0.7
161.01218	1.0
165.02185	0.6
167.03737	0.5
169.01738	0.4
169.05276	0.4
171.03305	2.2
173.04887	1.8
175.02771	0.4
181.05298	0.7
183.03188	0.9
183.06853	0.3
185.01195	0.3
185.04857	2.5
187.02745	0.4
187.06398	0.8
189.04381	2.0
195.06956	0.3
197.04887	0.7
197.08459	0.8
198.01892	0.4
199.02757	0.3
199.06422	4.6
200.63962	0.3
201.04314	0.6
201.07907	0.6
203.05956	2.5
205.01680	1.2
205.05504	0.5
205.07452	2.6
207.03224	0.4
210.02080	0.6
211.06381	0.7
213.08038	2.0
213.09692	0.3
215.05898	0.5
215.09639	0.5
217.07454	4.1
217.21822	0.4
219.03343	0.3
219.07074	0.4
219.08984	0.6
223.02840	2.7
223.06372	0.5
223.08463	1.3
225.04326	1.2
225.07962	1.8
226.04996	0.3
227.05977	1.9
227.09462	0.7
229.07503	1.5
231.08992	1.8
233.08372	0.4
235.06448	0.4
237.04291	0.9
237.07957	1.3
239.09532	0.9
241.07419	0.7
241.11148	0.4
243.09073	9.5
245.06956	0.8
245.10651	0.5
247.08484	1.0
249.08057	0.4
251.09532	0.9
253.07397	0.4
253.11073	1.2
255.09039	5.2
257.10449	0.7
261.07840	0.4
261.10181	3.1
262.08746	1.5
263.09473	0.6
266.10620	0.8
267.09006	0.3
268.09955	0.5
269.10651	1.8
271.12201	0.4
273.10153	1.7
277.10980	0.8
278.10672	0.3
279.09079	2.6
279.11987	0.5
280.09824	4.0
281.10568	1.3
287.11871	0.6
295.08453	0.3
297.10077	1.3
298.10849	1.0
299.11810	0.5
303.11380	0.4
303.16116	0.4
307.15753	0.5
313.14627	0.8
319.15878	0.5
321.17352	0.7
329.14450	0.4
331.15811	49.8
332.16290	0.7
349.16879	100.0
350.17081	1.9
367.17947	34.5
368.18274	0.7
372.18454	6.6
390.19534	7.0
391.19150	0.3
641.36981	1.6
659.38318	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	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.55098	0.9
56.96567	34.8
59.11106	0.7
67.05504	2.2
69.07088	1.2
70.25782	2.8
71.95270	4.7
72.96062	1.6
74.97614	1.0
77.00948	0.8
79.05482	1.3
81.07047	2.7
83.04945	0.8
84.96046	2.2
91.05483	1.5
93.07070	1.5
95.08623	1.3
96.26920	0.9
97.96857	1.3
98.21378	1.0
98.97591	1.2
105.00178	1.7
105.07001	1.3
107.08623	1.2
110.97606	3.7
115.00689	1.9
116.98611	1.0
119.08628	0.9
123.01208	1.3
127.00748	0.7
128.98622	3.2
131.08562	0.9
133.01784	0.9
134.77180	0.8
135.08055	0.9
137.02754	2.7
139.00673	1.3
141.02293	1.6
146.99681	1.8
147.11748	0.8
151.00679	1.4
153.02258	2.4
155.03838	2.5
157.01750	1.7
159.03371	1.7
167.03877	2.5
169.01732	1.6
171.03275	6.2
181.05362	1.2
183.03287	1.5
183.06917	0.8
185.01448	0.8
185.04865	8.4
187.02824	1.1
189.04414	4.1
193.05307	1.5
195.07030	2.3
197.04826	1.2
199.06412	10.3
201.04402	1.1
203.05914	7.0
205.07549	0.8
207.06908	1.9
209.04860	1.4
211.06375	3.9
213.07967	10.9
217.05482	1.7
217.07442	9.6
221.08521	1.2
222.08073	1.0
225.07968	7.8
226.05215	0.9
227.09563	4.3
229.07584	3.6
231.06966	1.9
231.09007	11.3
235.06274	1.1
237.07976	4.8
239.09496	6.5
240.09152	1.0
241.07530	1.1
241.11223	1.1
243.09007	4.7
245.10667	3.0
249.07977	5.6
251.09514	11.7
253.11142	1.4
255.09036	27.7
257.10712	2.7
259.12354	0.8
262.08810	1.9
267.09052	42.7
269.10608	61.8
273.10074	11.7
278.10648	2.6
279.09161	1.7
280.09924	1.3
285.10101	43.4
287.11667	16.4
290.10675	3.5
291.12726	3.4
292.12204	7.2
296.11636	1.2
297.13458	1.2
303.11264	3.5
307.12360	1.4
307.15530	1.0
308.11703	3.3
309.13693	1.5
313.14459	1.2
331.15771	15.8
349.16858	55.0
350.17075	1.0
367.17917	100.0
368.18219	1.5
372.18518	3.1
385.19006	4.7
390.19556	16.6
526.74524	0.9
561.31079	5.6
641.37134	1.2
659.38330	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	661.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57018	1.2
55.05495	1.8
55.24283	1.6
56.96560	2.0
67.05500	2.7
69.03444	1.7
69.07059	1.8
71.05006	2.1
79.05486	2.5
81.03401	2.1
81.07045	5.0
81.35145	1.3
84.96003	1.5
85.02923	2.0
91.05483	2.2
95.04919	2.0
95.08573	2.1
105.07040	3.0
107.08583	1.7
109.84044	1.4
118.77785	1.9
119.08527	2.2
121.10120	2.8
133.10078	2.5
137.78705	1.7
147.04387	1.7
177.05415	1.9
289.70074	1.6
429.15506	6.8
430.16730	1.7
431.17096	4.5
443.17355	3.0
444.18146	8.8
445.18616	3.7
453.14804	1.5
454.16318	4.9
455.17041	4.2
456.18237	2.6
457.13980	11.9
469.18491	5.5
471.16751	7.0
472.17487	25.2
473.17941	5.1
483.17316	2.1
497.18213	10.0
498.18918	1.7
500.16910	2.6
501.17636	2.0
515.19104	4.4
516.19629	2.3
530.21637	2.6
531.22375	11.4
556.19458	7.9
559.21973	59.0
560.22406	4.0
587.21124	5.7
618.13776	1.8
619.24030	100.0
620.23907	5.5
629.22467	13.7
643.23883	2.5
661.24561	71.1
662.24976	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	661.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	33.6
67.05486	5.8
69.78610	13.5
71.95257	3.6
79.05494	5.1
81.07049	5.6
83.87892	1.8
85.02909	2.1
89.90278	1.9
91.05473	4.5
93.07033	5.1
95.08578	3.7
97.96806	5.0
98.97581	3.1
105.07014	3.4
107.08617	4.5
109.06551	3.0
110.97559	5.4
119.08546	3.4
128.98596	6.1
145.01753	3.0
145.02849	2.4
146.99666	3.6
155.00160	2.7
155.03799	2.7
171.03300	2.8
177.05432	4.2
185.04872	7.3
189.04187	2.6
199.06395	7.3
200.82037	1.9
203.05989	5.9
213.07954	6.2
221.08626	2.3
223.10086	4.2
225.07986	5.1
227.05908	2.3
229.07463	2.6
231.08998	6.1
239.09459	6.0
241.11130	40.1
242.08307	5.8
243.09079	9.3
253.11058	3.6
255.09053	5.5
257.10577	6.8
259.12170	38.7
264.12833	2.8
267.08936	4.9
269.10495	6.4
271.12051	2.4
279.09061	2.6
297.10126	7.3
298.10919	7.0
307.15796	2.7
309.07425	2.1
331.15857	14.5
333.17340	34.7
335.20605	4.5
349.16846	88.2
350.17084	7.1
351.18433	100.0
353.21658	3.1
355.74124	2.5
367.17917	98.9
368.18213	6.1
369.19525	54.3
374.19867	8.8
390.19553	18.0
392.21075	11.6
639.45679	2.2
643.38495	4.5
661.39734	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.8
55.01872	8.1
55.05516	41.1
57.03447	16.6
57.07078	3.5
65.03938	7.3
67.05509	97.4
67.36504	2.5
69.03431	5.5
69.07070	47.3
69.79093	16.6
71.04987	3.5
77.03925	3.2
79.05497	95.8
81.07063	100.0
83.04975	8.5
83.08618	16.4
85.06544	5.5
87.04469	20.9
91.04956	4.3
91.05487	64.6
93.06456	6.2
93.07047	88.8
95.04973	10.3
95.08617	61.8
97.06550	11.7
97.10171	18.0
103.05484	3.4
105.07036	56.9
107.04957	4.3
107.08604	46.3
109.06514	6.7
109.10155	29.4
111.08068	5.3
117.07018	21.2
119.08593	35.9
121.06498	4.6
121.10152	39.9
123.08044	3.5
123.11702	9.1
125.09632	13.6
129.07004	8.9
130.07774	3.1
131.08588	30.5
133.10147	31.3
135.08044	5.5
135.11655	16.8
137.09676	4.5
143.08562	10.0
145.10135	25.8
147.11673	21.4
149.09631	9.5
149.13297	9.8
151.11258	3.1
156.78885	2.8
157.10068	4.0
159.11711	20.5
161.13254	7.8
163.11220	9.2
163.14804	3.8
169.10118	5.5
171.11687	4.2
173.13353	13.0
175.14925	3.2
183.11771	3.5
185.13208	7.9
187.14868	5.0
189.11229	7.3
197.13298	3.3
219.17569	5.2
227.12762	29.5
229.14226	5.8
239.17911	4.6
257.19031	13.0
261.22205	7.5
267.15805	4.5
275.20035	41.4
317.24817	3.6
324.72150	2.9
335.25803	73.2
349.23761	35.9
431.31693	5.5
489.35910	9.9
505.35406	6.9
529.38489	5.1
546.41742	3.1
609.45184	28.3
610.44556	3.4
644.47607	4.1
662.46417	7.6
663.47968	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
55.01865	5.7
55.05516	32.8
57.03437	15.9
57.07071	7.5
58.40003	1.7
65.03938	6.1
67.05510	99.7
69.03454	2.1
69.06719	2.3
69.07073	28.4
70.64697	5.3
71.04987	6.4
77.03918	2.3
79.05498	81.6
81.03411	4.5
81.07063	100.0
83.04990	10.9
83.08646	9.8
85.06564	4.5
87.04465	22.8
91.05486	60.4
93.07051	84.6
95.04971	11.0
95.08611	59.2
97.06519	9.0
97.10147	6.7
97.83117	2.3
99.08056	3.1
103.05446	2.0
105.04491	1.8
105.06371	3.3
105.07041	43.3
107.04966	5.1
107.08603	44.9
109.06532	5.2
109.10168	22.8
111.08101	7.9
115.05476	2.7
117.07010	19.0
119.08597	32.7
121.06493	4.5
121.10144	31.1
123.08017	3.8
123.11699	7.3
125.09646	2.4
129.07005	8.7
131.07686	3.0
131.08580	29.6
133.10136	24.6
135.08054	3.4
135.11684	22.6
137.09608	2.2
143.08560	5.3
145.10153	21.1
147.11697	13.5
149.09610	7.7
149.13243	12.8
151.11191	3.9
155.08600	3.1
157.10114	4.9
159.11717	15.6
161.13271	4.9
163.11176	5.1
163.14799	2.8
169.10037	2.8
171.11642	4.7
173.11914	2.7
173.13318	7.4
175.14766	3.1
177.12814	2.2
183.11778	4.2
185.13217	4.4
187.14859	4.0
195.13803	3.2
197.13216	1.9
199.14931	2.8
201.16408	3.1
219.17542	2.3
229.14417	4.8
229.19545	2.0
235.16949	2.5
236.68481	1.7
239.17865	2.4
255.15953	8.3
257.19165	8.2
259.20657	2.5
261.22202	6.3
265.21768	1.7
269.17334	9.7
275.20102	24.0
277.21588	4.2
283.18793	2.2
293.20889	1.8
309.20511	2.8
333.24179	4.3
335.25824	74.4
349.23593	9.2
403.19220	2.1
433.24072	3.8
444.19196	2.5
459.21777	19.2
460.22305	4.8
475.21332	7.0
476.21982	2.2
489.35452	3.9
515.37286	9.5
519.23688	4.3
529.38953	51.4
530.39160	3.3
531.23260	2.5
542.22437	2.2
543.40735	2.2
547.27283	10.6
569.42072	10.6
593.24182	3.7
605.27386	2.2
606.28424	37.3
607.28497	7.4
609.45471	9.4
622.27911	31.7
623.27972	3.1
627.45752	2.3
662.29053	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	663.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78563	0.9
51.15015	0.8
61.02942	1.2
67.05499	1.3
69.07069	1.2
76.20641	0.9
79.05507	1.4
81.03435	1.9
81.07072	2.7
85.02894	2.2
91.05498	3.0
93.07035	2.2
95.04971	1.1
95.08624	1.0
97.02913	1.7
97.06540	1.2
97.79563	0.9
105.07063	1.6
107.08627	1.8
109.10170	1.5
119.08654	1.0
122.91608	0.8
127.03953	1.4
131.08586	1.3
133.10139	1.9
135.04460	1.0
142.53494	1.0
145.02798	1.1
145.10129	1.3
147.04440	1.8
149.02342	4.1
150.02715	1.4
163.03961	2.9
167.07135	1.3
177.05502	1.5
193.05013	1.7
236.51695	0.9
430.12393	2.5
445.25616	2.0
474.14819	1.3
501.27765	1.9
621.24243	2.5
663.33563	100.0
664.33636	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	664.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97979	1.0
54.08809	0.8
55.05518	7.9
57.03439	10.6
57.07074	24.7
59.04992	2.5
61.02919	3.6
65.03940	1.1
67.05505	67.7
69.03426	1.2
69.07072	5.7
70.54003	1.6
70.54350	1.3
71.04990	2.4
71.08634	16.8
73.02894	1.5
79.05492	2.0
81.07051	15.1
83.08607	12.2
85.02906	3.9
85.06539	2.6
85.10174	10.2
88.04854	1.1
89.06035	1.3
91.03947	2.1
91.05478	4.4
93.07050	4.0
95.04977	1.3
95.08607	18.3
97.02894	2.4
97.10171	4.1
105.07022	1.6
107.08602	2.1
109.10158	66.1
111.08087	3.3
116.78252	0.8
119.08595	4.6
121.10134	1.0
123.11699	2.8
136.47597	1.0
137.09604	2.5
145.10114	1.1
151.14778	1.7
155.10681	6.3
162.73904	1.0
173.11743	18.7
229.14354	100.0
239.23615	2.0
257.24368	1.1
313.27368	78.2
314.27707	1.4
328.66452	1.0
409.48065	1.0
467.37354	65.1
468.37488	1.4
664.47223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42627	2.4
52.12517	2.7
53.03934	7.1
55.01867	4.9
55.05299	3.0
55.05515	35.8
55.39920	2.4
57.03447	17.0
57.07062	7.9
57.07324	2.9
57.91656	2.7
65.03915	4.2
67.05165	5.0
67.05511	100.0
69.03427	3.0
69.06764	3.1
69.07072	34.2
69.56480	2.8
70.99594	3.7
70.99913	4.4
71.04980	4.4
71.08627	6.1
79.05500	57.3
81.07064	87.3
83.08626	20.6
83.95016	2.9
85.06533	5.3
91.05489	43.7
93.07056	49.8
95.04959	8.9
95.08044	3.7
95.08617	59.1
97.06526	9.9
97.10200	14.4
99.08081	7.2
105.07037	41.0
107.08613	34.8
109.06520	5.8
109.10169	33.1
111.08066	7.2
111.11725	3.1
111.61095	2.8
113.09576	3.3
117.07031	15.0
119.08585	27.2
121.06492	3.4
121.10187	24.4
123.08109	3.9
123.11692	8.8
124.78629	2.6
125.09628	10.7
129.06979	4.0
131.08585	17.4
133.10156	24.7
135.11708	19.0
143.08521	9.0
145.10179	17.9
147.11676	22.0
149.09616	6.0
149.13228	8.7
157.10104	5.0
159.11742	12.9
161.13231	7.2
163.11203	4.6
163.14795	5.5
165.12767	3.6
169.10068	3.6
171.11638	4.7
173.13239	7.6
175.14832	4.4
177.12709	4.4
179.14220	3.0
185.13269	8.3
189.11172	5.6
201.16422	2.6
203.14313	4.5
208.36649	2.9
217.19566	4.0
227.12781	24.2
229.14391	6.8
229.19577	4.4
239.18047	6.4
243.21227	4.4
257.19031	13.8
261.22220	3.6
267.16034	4.8
269.17599	4.1
275.20087	30.2
277.21561	3.6
279.23248	4.7
293.20978	3.7
328.08273	4.3
331.22580	3.9
333.24200	4.3
335.25653	9.0
337.27380	57.5
349.23801	26.5
351.25156	8.4
353.27100	5.1
491.37540	13.0
529.38776	5.7
552.32751	3.6
611.46509	19.7
629.47455	5.6
646.50238	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.6
53.03938	5.6
55.01870	5.6
55.05264	2.2
55.05519	31.3
57.03447	9.7
57.07080	7.3
65.03951	6.6
67.05512	95.8
69.03432	3.2
69.06715	1.9
69.07077	36.7
71.04992	3.3
71.08611	2.1
71.36562	2.5
73.82013	1.4
79.05504	54.1
81.03411	5.2
81.07067	100.0
83.04991	8.8
83.08634	13.5
85.06530	3.6
87.04488	1.6
91.05492	45.4
93.07057	53.8
94.60828	1.5
95.04990	8.2
95.08617	57.3
97.06554	8.6
97.10172	7.3
99.08057	2.8
105.04480	1.7
105.06370	2.0
105.07040	29.1
107.04953	3.6
107.07948	2.3
107.08603	32.1
109.06543	4.8
109.10160	23.8
111.08092	4.0
113.09663	1.8
115.05460	1.6
117.07024	12.8
119.08595	25.7
121.06486	3.7
121.10161	20.9
123.08071	3.8
123.11703	9.7
125.09633	4.0
127.25920	1.5
128.06247	1.8
129.07033	4.9
131.07861	1.2
131.08597	14.5
133.10136	19.2
135.08072	1.8
135.11708	12.3
136.15050	1.6
137.09630	3.3
137.13252	2.7
141.07040	1.8
143.08589	3.2
145.10141	9.7
147.08131	2.0
147.11711	10.6
149.09613	4.7
149.13246	10.1
151.11183	2.6
151.14682	1.4
155.05043	1.8
157.10114	3.1
158.84662	1.4
159.11679	9.8
161.13284	5.4
163.11179	3.2
163.14847	2.6
165.12712	2.5
173.11919	1.6
173.13292	4.8
175.11191	1.4
175.14818	2.5
176.09241	1.3
177.12778	2.6
181.12238	2.0
185.13229	1.9
195.13849	4.1
203.14317	1.4
217.15903	1.8
227.12813	2.0
229.14317	4.1
233.15393	1.6
239.17953	2.3
245.22577	2.2
253.03113	1.4
255.15875	8.1
257.19052	5.8
263.23764	4.3
267.16016	1.6
269.17462	12.8
275.20099	22.8
291.19577	1.5
309.20554	1.4
313.21893	1.5
327.07858	3.6
331.22522	2.3
337.27393	66.6
349.23679	14.1
367.25073	1.8
384.14124	1.9
491.37357	4.2
517.38922	14.9
518.67053	1.9
531.40582	59.9
532.40332	2.1
552.33270	1.8
571.43250	5.7
611.47205	9.8
629.47125	2.4
664.49426	1.7
687.32495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55003	1.4
53.03946	5.3
53.73330	1.5
55.01875	3.9
55.05516	22.2
57.03447	8.5
57.07086	8.3
65.03938	4.0
67.05511	79.7
68.05830	1.7
69.07072	27.4
71.04984	3.0
71.08630	6.6
74.85631	1.6
79.05503	38.7
81.03407	2.1
81.07063	79.6
83.05000	7.9
83.08627	16.4
85.06535	2.0
91.05486	28.8
93.07056	47.7
95.04974	8.3
95.08619	50.7
97.06544	8.2
97.10174	7.3
98.21487	5.4
99.08106	7.0
105.04537	2.3
105.07036	16.3
107.08603	23.2
109.06523	3.1
109.10175	22.6
111.08110	4.7
113.09604	2.6
117.07015	8.0
119.08588	11.9
121.10141	10.7
123.11738	8.0
129.06999	3.0
131.08557	9.3
133.10176	10.0
135.08090	1.6
135.11699	7.8
137.13226	2.3
140.95840	1.9
145.10161	3.4
147.11705	7.5
149.13289	8.6
151.11200	6.3
159.11705	5.9
161.13266	5.4
163.11214	2.5
165.12796	2.0
171.87413	1.8
173.13336	2.0
175.14882	3.5
177.12762	3.9
179.14244	1.5
195.13821	4.6
202.67319	1.6
204.79387	1.7
227.12796	1.9
229.14430	3.3
245.22702	2.7
259.20578	3.2
263.23721	5.7
269.17410	9.1
277.21622	8.4
328.08337	3.0
329.08386	4.8
330.08478	2.2
337.27374	35.3
351.25165	7.5
385.14716	1.8
386.15091	2.0
441.20935	3.3
491.37271	7.8
497.27197	4.7
498.27350	3.8
504.36774	2.0
531.40521	100.0
553.33173	5.8
554.33923	4.8
610.39954	4.4
613.48175	7.2
639.80316	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	667.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15799	0.5
54.67217	0.5
55.05505	1.7
57.03446	0.6
58.91112	0.5
65.99509	0.6
67.05506	2.4
68.77562	0.6
68.77957	0.5
69.07052	1.5
71.08614	1.1
73.03365	0.6
79.05499	2.7
79.52567	0.5
80.00390	0.5
81.07039	2.7
83.08621	1.0
84.73232	0.6
91.05489	1.9
93.07047	3.8
95.04980	0.8
95.08614	2.1
105.07059	1.5
107.08595	2.0
109.10159	1.1
119.08606	1.3
121.10151	1.3
131.08574	0.8
133.10159	0.9
135.11722	0.9
145.10289	0.9
147.11711	0.9
154.59241	0.6
154.80626	0.5
160.19426	0.6
171.07175	0.6
177.54417	0.6
179.14424	0.9
191.02603	0.6
214.85266	0.8
294.16394	0.6
295.40234	0.6
317.20911	11.0
373.23618	4.9
423.55508	0.6
667.45471	100.0
668.45728	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	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53491	0.6
59.07041	0.6
67.05514	4.2
69.07068	1.7
71.59612	0.6
71.60015	0.8
79.05507	2.8
81.07053	4.1
83.08652	0.7
84.68983	0.6
90.53150	0.6
91.05479	1.6
93.06541	0.6
93.07016	3.3
95.08609	3.2
105.07033	1.2
107.08615	1.4
109.10148	0.9
111.08154	0.6
119.08669	0.9
121.10149	1.2
133.10121	1.0
142.43082	0.5
247.13219	0.8
317.42358	0.6
333.20340	9.8
335.25793	0.8
389.23050	5.4
445.47519	0.6
544.11554	0.7
667.45441	100.0
668.46179	3.9
668.55695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
67.05509	2.4
69.07065	1.4
69.21552	2.0
69.21972	3.5
74.62767	0.4
79.05500	2.9
81.07056	2.0
83.05024	0.5
91.05470	1.5
93.07044	2.4
95.08620	2.1
98.84229	0.6
105.07049	1.5
105.25977	0.5
105.31123	0.5
107.08600	1.8
109.10172	0.8
117.07079	0.6
119.08580	1.4
121.10133	1.0
126.11509	0.5
130.19180	0.5
133.10133	1.0
145.10124	0.8
147.11732	0.8
154.66063	0.6
159.11798	0.6
218.46333	0.5
221.23235	0.5
221.52101	0.6
224.64786	0.5
246.19376	0.6
299.16910	0.5
317.20880	5.9
317.24167	0.9
373.23505	6.7
375.76041	0.6
597.37665	0.6
667.45459	100.0
668.45825	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	668.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01871	2.0
55.05521	9.5
56.96562	1.3
57.03435	11.3
57.07097	1.3
59.04990	3.9
60.57270	1.2
60.86285	1.2
61.02934	1.2
65.03946	2.7
67.05510	79.1
69.03407	2.8
69.07059	3.7
71.04993	2.8
73.62523	1.6
78.86809	1.3
79.05512	11.0
81.03423	56.2
81.07057	17.1
83.04978	3.5
83.08633	15.5
85.02898	2.9
85.06534	3.7
86.09697	1.9
91.05491	18.0
93.07050	13.5
93.51101	1.3
95.04971	19.5
95.08611	8.3
97.02916	3.3
97.06512	3.9
101.64169	1.3
105.07040	10.6
107.04949	3.8
107.08583	4.1
109.02882	1.7
109.06524	3.7
109.10163	75.7
111.08073	8.5
115.05444	2.3
119.04959	3.3
119.08578	16.0
121.06505	3.3
121.10130	5.8
125.09627	1.7
129.07040	7.2
131.08560	5.9
133.06500	2.1
133.10129	6.5
135.11795	1.5
137.05956	1.8
137.09625	6.5
145.10114	2.5
147.04391	2.0
147.08092	1.4
147.11687	5.5
149.09639	3.3
151.07538	1.8
155.10709	6.3
157.10086	8.6
163.11157	3.3
165.12691	1.5
173.11758	23.1
175.11224	8.0
177.05418	2.9
184.07462	1.9
193.12263	20.4
207.06517	1.8
211.13272	1.6
223.13174	1.5
229.14368	94.7
232.08470	1.4
267.15930	89.8
268.16245	2.1
279.97394	1.5
329.21222	1.9
348.54562	1.6
388.57635	1.6
403.24728	9.4
421.25903	100.0
422.26205	2.4
529.27600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24603	0.9
51.64351	0.9
54.01431	1.0
54.01839	0.8
55.05494	1.4
57.03426	1.8
57.07064	3.7
61.02917	4.1
65.68164	0.9
67.05506	7.9
68.05125	0.8
69.03426	3.3
69.07085	1.4
71.05016	0.9
71.08626	1.1
71.26185	0.9
71.26584	1.0
71.60056	1.6
71.60427	1.0
71.76212	1.0
73.02906	4.5
81.07043	2.4
85.02901	4.0
85.10165	1.6
87.04456	1.2
91.03967	3.0
91.05499	1.6
93.07072	1.2
95.08609	2.4
97.02895	3.4
99.04480	1.4
104.27361	0.9
109.10146	8.5
127.03935	1.3
173.11755	1.8
229.14528	1.3
313.27411	1.1
385.13019	1.1
413.17896	10.6
492.78262	1.0
497.31152	5.2
669.41809	100.0
670.42133	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	669.47
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
57.07070	0.8
62.03260	0.4
67.05507	5.4
69.07076	0.9
69.60306	3.7
71.08642	0.7
79.05483	1.9
81.07052	5.2
82.22879	0.5
83.04960	0.5
83.08629	0.6
91.05479	1.6
93.07040	2.6
95.08635	2.9
99.08104	0.5
102.04911	0.4
103.66410	0.4
105.07043	1.8
107.08621	1.5
109.10172	1.7
117.07062	0.6
117.22846	0.5
119.08603	0.7
121.10156	1.1
129.90228	0.5
131.08594	1.1
133.10133	0.8
135.11717	0.8
142.86954	0.5
147.11664	0.6
149.13268	0.6
156.20233	0.5
163.10873	0.5
168.28265	0.5
317.20889	10.6
319.22421	0.7
373.23492	5.4
375.25198	1.5
669.47040	100.0
670.47717	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	669.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
67.05507	3.6
69.07075	1.3
71.60406	1.1
79.05500	2.9
81.07059	4.5
91.05510	1.8
93.07056	3.0
94.96137	0.8
95.08635	3.1
98.04105	0.7
105.07037	1.8
107.08605	1.2
108.01872	0.8
109.10191	1.3
119.08583	1.7
121.10213	1.0
133.10139	1.3
142.32352	0.9
146.48631	0.9
147.11713	1.0
164.50742	0.8
174.12149	1.0
225.16248	0.7
273.45355	0.8
317.20996	1.9
319.22498	2.0
373.23578	2.7
375.25192	1.7
669.47064	100.0
670.47296	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	669.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03429	0.8
57.07077	1.7
64.75333	0.7
67.05506	5.2
69.07071	2.1
69.18147	0.7
71.08652	1.6
71.59914	1.4
79.05514	2.1
81.07071	6.7
83.04944	0.7
83.08617	1.4
91.05479	2.1
93.07053	3.2
95.05032	0.9
95.08604	3.4
97.10155	0.9
105.07047	2.2
107.08644	1.4
107.37614	0.7
109.10170	1.5
119.08607	1.6
121.10159	1.4
121.12458	0.8
133.10194	0.8
143.18796	0.6
145.10159	1.5
208.07339	0.8
238.82521	0.9
275.20148	1.0
276.20935	0.7
290.29559	0.8
317.20871	1.1
333.20337	7.7
335.22455	0.8
336.34494	0.7
337.05106	0.9
337.27539	0.8
389.22849	3.8
528.08014	0.8
669.47040	100.0
670.46735	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	670.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
52.68298	0.2
53.03946	0.5
55.01859	0.8
55.05521	0.3
57.03430	0.5
58.99592	0.9
61.02905	0.2
65.03954	0.4
66.04697	0.2
67.05510	0.4
68.68538	0.2
69.03425	0.4
70.06591	0.3
70.75732	0.2
70.76095	0.4
71.94981	0.2
76.02230	0.3
77.03938	0.2
79.05497	4.2
81.03407	0.7
81.07050	0.5
84.08151	0.3
85.02901	0.8
86.00644	0.8
86.99049	0.3
89.03904	0.3
91.05476	2.5
92.06259	0.3
93.07029	0.6
94.04176	0.2
95.04950	1.0
95.08632	0.3
97.02887	0.3
100.02215	0.5
103.05468	3.1
104.06252	0.4
105.07034	19.8
106.07375	0.3
107.04964	1.9
107.08572	0.5
109.02874	0.4
109.06514	0.9
109.61047	0.2
114.03692	0.2
115.05470	1.3
117.03360	0.4
117.07025	0.6
118.04193	2.2
118.06551	0.4
119.04992	0.9
120.04437	0.4
120.05713	0.7
121.06516	1.3
122.03653	0.3
122.07272	1.1
123.08053	0.5
124.05199	0.6
131.04930	0.8
132.01131	1.0
132.05737	1.0
133.06496	16.3
134.07239	0.8
135.02684	0.3
135.04427	1.0
135.08044	2.1
137.04295	1.2
137.05980	6.7
137.07039	0.4
137.09586	0.3
145.02846	1.3
145.06480	0.2
146.02626	1.3
146.05965	0.4
147.02625	0.4
147.04434	1.1
148.05154	0.8
149.06015	0.6
150.01321	1.4
150.06766	6.2
151.07510	0.7
153.01892	0.4
154.06367	0.2
161.06004	0.4
163.07487	0.2
165.03725	3.2
165.09122	13.0
167.05367	0.2
167.07025	0.7
169.68240	0.2
175.03458	0.4
175.07507	0.5
177.05495	3.1
178.06116	1.6
178.08682	0.2
181.04861	0.2
183.10149	0.6
188.65440	0.2
193.03246	4.6
193.08612	100.0
194.09114	1.0
195.04784	0.8
195.10129	0.7
202.82184	0.2
207.06522	1.0
208.06752	0.3
209.08104	0.3
209.10477	0.8
210.11264	1.7
220.09854	0.2
225.05711	1.1
227.07341	0.8
242.05402	0.2
270.05298	0.7
271.05569	0.6
287.05334	0.5
288.05939	0.3
302.04099	0.2
314.10568	12.5
315.04956	1.9
316.05392	2.4
317.06024	0.4
331.08118	7.0
332.08472	6.6
332.12460	0.3
389.00266	0.2
670.34729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01882	3.2
55.05518	2.0
56.05030	0.7
57.03436	1.9
59.05002	0.9
60.04532	5.2
61.02928	1.9
62.96062	0.7
65.03941	1.0
67.05511	5.1
69.03433	11.1
69.07085	3.4
69.70470	2.6
69.70879	1.6
70.06599	1.1
71.04988	1.8
73.02914	2.3
74.02435	5.6
74.06100	0.7
77.03937	0.9
78.39675	0.7
79.05505	6.5
80.05020	0.6
81.03429	9.0
81.07076	4.3
82.06570	0.9
83.08627	1.6
85.02406	1.3
85.02912	20.6
87.00844	9.0
87.04450	0.9
91.03949	1.0
91.05490	7.6
93.07055	6.4
95.04973	7.6
95.08624	4.2
97.02896	8.9
97.06541	1.0
97.10155	2.0
99.04474	4.1
100.04059	0.8
103.05479	2.6
105.01885	5.3
105.04510	1.0
105.07027	5.7
106.04129	0.9
107.04269	1.4
107.04963	22.6
107.08604	1.6
108.04459	1.2
109.02879	10.0
109.10176	4.0
111.04478	0.7
115.03949	1.2
115.05473	2.0
117.01914	1.1
117.07072	3.2
118.05046	0.6
119.04955	1.6
119.08574	1.3
121.06517	6.8
121.10169	1.3
123.04449	8.8
123.11727	1.2
124.05211	2.5
125.06012	2.5
127.03922	13.0
128.06207	2.2
129.01823	1.2
129.07031	1.9
130.07788	3.5
131.04921	1.5
131.08585	1.1
133.06479	1.3
133.10184	1.0
135.04376	0.7
135.08049	2.2
135.11662	0.8
137.05994	2.5
138.06693	1.2
140.04678	2.2
143.08560	10.2
144.05746	0.9
145.04967	5.2
145.06491	2.0
145.10136	28.9
147.04401	2.0
147.08049	0.6
149.05977	2.7
151.03868	1.4
152.04689	1.9
153.05618	0.7
153.06979	0.7
155.07063	3.5
155.08571	7.3
157.06503	1.4
158.07294	25.1
159.02856	3.6
159.08098	2.3
159.11560	0.7
161.05997	1.2
161.09599	0.8
163.07538	3.6
163.11168	1.6
166.06282	3.9
167.07053	95.3
171.08087	1.8
172.08812	1.1
173.09634	52.0
175.07562	1.4
177.05502	1.0
178.06300	1.6
179.97720	0.6
180.07895	0.9
181.05067	8.7
181.08606	58.3
183.06575	2.5
183.09207	3.3
186.06769	4.2
189.09102	1.4
191.10655	1.7
192.07851	1.0
193.08575	1.4
195.10176	11.6
195.11850	1.1
201.09120	95.8
202.09467	1.0
207.06389	1.2
207.10229	1.2
213.03934	0.8
218.09343	2.7
219.10217	6.0
221.11610	1.1
229.14313	1.9
230.61395	0.6
231.05040	2.2
233.11737	100.0
234.11916	1.0
236.17227	0.6
251.12811	31.7
255.06546	0.6
276.26822	1.4
291.26968	0.8
292.26953	0.7
294.27951	1.6
296.29486	0.7
301.07111	1.3
316.09402	2.5
322.27383	1.0
340.28610	3.0
355.15427	0.9
358.29446	7.4
376.30652	15.1
383.24197	1.1
385.16309	0.9
387.18060	54.6
388.18536	0.7
399.17767	0.8
405.19189	4.0
458.66003	0.7
505.18225	0.7
508.35034	1.1
538.35797	1.9
600.92493	0.7
670.34796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03931	0.7
53.06293	0.3
55.01861	0.6
57.03424	0.4
63.71932	0.3
65.03923	0.4
66.56976	0.3
67.05499	0.6
69.03444	0.3
70.06577	0.4
71.59653	0.3
77.03929	0.4
79.05114	0.4
79.05499	4.4
81.03426	0.7
81.07033	0.7
85.02897	0.7
91.05495	2.3
92.06277	0.3
93.07044	0.7
95.04945	0.7
95.08613	0.4
97.02881	0.3
97.06547	0.3
103.05479	2.9
105.04479	0.3
105.07037	17.4
107.04956	2.2
107.08629	0.5
109.02856	0.3
109.06490	0.7
109.10113	0.4
115.05429	1.1
117.07021	0.3
118.04158	2.3
119.04960	1.0
120.05728	0.8
121.06518	1.0
121.10142	0.5
122.03661	0.4
122.07327	0.8
124.05206	0.4
127.04001	0.4
130.89587	0.3
131.04953	0.7
132.05666	0.6
133.06500	14.3
134.07277	0.6
135.04396	0.8
135.08060	2.2
137.05986	6.2
137.09602	0.7
147.04451	0.3
148.05173	1.0
150.06766	6.8
161.05994	0.6
165.09129	13.3
177.05504	0.4
178.06311	0.9
191.38702	0.3
193.08615	100.0
194.09023	0.8
197.57439	0.3
413.16754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73962	0.4
62.63268	0.4
67.27292	0.4
69.77064	2.6
70.06576	0.5
77.34177	0.4
79.05484	0.7
81.03361	0.4
81.07021	1.2
85.02876	0.6
91.05450	1.1
94.04195	2.5
98.21372	0.9
103.05482	0.9
107.04961	0.5
109.06516	3.2
121.02825	0.9
122.03641	5.6
131.04887	1.8
137.05981	40.1
153.01823	2.5
168.77617	0.4
204.77766	0.4
223.01939	0.4
252.49857	0.5
253.78937	0.4
265.04846	1.0
266.05753	10.1
267.06525	1.3
278.05801	0.9
280.03726	0.9
281.04550	0.7
282.05054	0.5
294.05234	13.4
294.08585	0.8
295.06006	7.2
296.06696	0.7
297.03925	0.9
297.19589	0.5
306.05219	1.7
309.07632	0.5
310.04742	0.9
311.05640	2.1
322.04697	13.1
322.08453	0.8
323.05569	2.5
324.06216	0.5
325.03540	1.3
326.04285	0.8
327.05133	0.9
334.04684	2.0
335.05612	0.5
337.03714	0.6
339.04993	15.6
340.05771	14.5
341.06860	1.0
351.04953	1.1
352.05716	1.4
355.08139	100.0
356.08185	1.7
367.08124	4.7
369.07330	0.9
384.06351	1.9
387.08618	0.7
397.07208	0.7
398.07773	0.8
399.08698	1.6
400.05923	0.7
401.06674	1.7
405.09775	1.1
415.08057	1.6
416.08698	0.7
427.08234	2.7
429.06146	1.3
433.09131	0.8
443.07535	2.5
444.08206	1.6
445.09262	1.0
458.09784	1.0
459.10959	1.2
461.08569	2.5
475.10315	1.2
476.11227	2.6
491.13388	15.0
509.14474	84.6
510.14764	2.7
581.61810	0.6
671.19580	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	671.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88584	0.3
53.03932	0.6
55.01865	0.4
55.05514	0.8
57.03432	0.5
57.07055	0.4
61.02922	0.6
67.05500	1.8
69.03433	2.3
69.07068	1.0
70.06591	1.7
72.08131	0.6
74.06070	1.5
79.05489	1.7
81.03421	1.9
81.07062	3.2
84.08125	0.4
85.02910	5.2
86.06091	0.4
86.09724	0.8
91.05487	3.4
93.07028	1.6
94.04193	3.2
95.04968	1.1
95.08616	1.4
97.02901	2.0
97.06511	0.4
98.97607	0.5
99.04439	0.6
104.54897	0.4
105.07034	1.5
107.04941	1.0
107.08617	1.0
109.02873	0.7
109.06520	3.7
109.10190	1.7
119.04942	0.6
119.08590	0.6
121.02863	1.0
121.10144	1.0
122.03655	5.3
123.04478	0.6
123.08061	0.4
123.11705	0.6
127.03947	1.0
128.93355	0.4
131.04912	0.6
131.08583	0.9
133.06567	0.4
133.10115	0.5
135.08061	0.4
137.05988	47.6
138.06355	0.4
139.03860	0.4
143.08525	0.6
145.02924	0.5
145.10141	0.7
147.04408	0.9
147.11690	0.6
149.06047	0.5
149.09729	0.4
151.03912	0.5
151.07578	0.5
153.01843	2.7
153.94051	0.3
161.05980	0.7
161.13245	0.4
163.03992	0.5
163.07460	0.4
165.09132	0.7
165.12721	0.4
167.07063	0.9
173.13255	1.3
173.26253	0.3
175.03918	0.8
175.07545	0.4
177.05527	0.9
181.04953	1.7
189.09167	0.7
191.06987	0.4
193.08679	0.4
195.06567	1.6
204.08047	0.4
207.06604	1.9
209.08147	0.9
223.09669	0.8
237.05385	0.4
237.11278	0.6
249.05534	0.3
249.11331	0.8
253.04976	0.4
259.09808	0.5
265.05109	1.2
266.05734	8.8
267.06552	1.2
279.06409	0.4
280.03629	0.9
281.04617	0.8
282.05438	0.4
291.16019	0.9
294.05243	13.5
295.06030	6.7
296.06851	0.5
297.04028	1.0
299.05353	0.4
301.92447	0.4
305.17526	0.6
306.05295	1.6
309.04108	0.5
310.04803	0.9
311.05560	3.2
312.06332	0.6
315.04825	0.4
322.04736	12.4
323.05563	2.2
324.06424	0.5
325.03558	1.7
326.04398	0.8
327.05081	1.0
329.06650	0.8
330.07239	0.4
331.08179	1.2
334.04727	1.1
337.03464	0.4
337.07486	0.4
339.05017	15.1
340.05777	15.0
341.06467	0.6
342.07623	0.7
345.09787	1.1
351.05237	0.8
352.05826	1.4
355.08151	100.0
356.08310	1.6
365.50565	0.4
367.08160	4.4
369.07672	1.1
372.06268	0.5
373.07401	0.7
383.05621	0.7
384.06451	1.7
385.07916	0.4
387.08356	0.5
397.07465	0.7
398.07492	0.7
399.08643	1.5
400.05655	0.8
401.06628	1.6
413.06396	0.6
415.08124	1.4
416.08829	0.8
427.08090	2.6
429.06067	1.5
431.11270	0.8
433.09216	1.0
443.07813	2.2
444.08575	1.3
445.09222	0.6
458.10065	0.8
459.10797	1.5
461.08499	2.2
473.29068	1.3
475.10175	1.5
475.85788	0.4
476.11121	2.6
479.13989	0.6
491.06079	0.5
491.13412	18.2
491.29971	5.7
509.14514	81.8
510.14929	1.0
670.39380	0.5
671.39301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1976
Annotation	Picramnioside F
Peak:m/z	Relative Intensity
53.03941	1.1
55.01865	1.1
55.05504	1.4
57.03447	0.8
63.73529	0.7
67.05492	2.1
68.99798	1.0
69.03423	3.1
69.07094	0.9
70.06581	1.8
70.77669	1.9
72.08162	1.1
79.05490	2.4
81.03418	1.5
81.07050	2.7
83.08610	0.7
84.08161	0.9
85.02907	3.5
86.09694	0.9
91.05480	6.3
93.07056	2.1
95.04980	1.3
95.08607	2.5
97.02883	3.4
102.51906	0.9
103.05466	2.3
105.07013	6.8
107.04979	1.1
107.08589	1.9
109.02898	1.7
109.06512	0.8
109.10188	1.8
119.04940	6.7
121.02868	2.8
121.06468	1.5
122.03641	1.2
123.11722	1.0
125.09559	1.2
127.03899	1.6
131.04903	1.2
133.06509	5.9
133.10104	1.1
135.04437	1.2
135.08057	1.0
135.11705	0.9
137.05988	9.6
145.02884	1.0
145.04936	1.1
145.10167	1.0
146.03650	1.9
147.04440	4.9
149.05984	1.6
149.09566	1.0
151.03889	1.8
151.07588	1.9
153.01888	3.9
157.06512	1.5
161.05984	9.0
162.06818	0.9
163.03979	0.9
163.07635	1.0
165.01866	2.3
165.09085	0.8
167.07042	1.9
173.05797	0.8
175.03934	1.3
177.05486	2.1
179.07028	2.8
181.04968	7.9
185.05974	1.1
191.07042	1.7
195.06641	1.2
207.02890	1.0
207.06583	2.5
213.05476	2.3
223.09526	0.9
241.04994	3.9
242.05638	1.0
253.04947	1.7
258.05283	1.1
263.03445	1.0
267.06528	1.1
269.04526	1.6
270.05225	2.5
271.05966	0.9
281.04373	1.8
286.04791	1.8
287.05606	1.5
294.05170	1.4
295.05847	3.7
297.03662	1.0
299.05463	2.7
301.07059	1.7
311.05386	1.6
313.07034	1.8
314.04242	1.1
315.05029	7.3
315.08359	1.3
316.05685	1.4
327.04910	3.8
327.08517	1.0
329.06705	6.5
330.07318	7.0
331.08133	21.9
339.04907	2.5
339.08646	1.4
340.05609	1.3
343.08179	12.7
355.08203	10.0
358.08453	1.1
367.08490	1.4
370.08353	1.6
373.09155	2.4
387.08475	1.4
398.07779	1.3
403.07831	1.2
405.09641	1.7
414.07214	1.5
415.07968	5.4
419.11469	1.8
429.10034	1.0
430.11182	1.3
431.11243	3.4
433.09308	1.8
443.07593	7.1
447.05927	1.4
447.10751	3.1
449.08368	1.6
457.09253	2.1
458.09805	3.0
459.10791	19.1
462.16690	1.0
463.09921	6.5
464.10913	4.2
465.11826	1.7
473.12363	2.3
473.28854	2.0
475.10342	5.3
476.11047	11.0
477.11694	1.6
479.13440	35.3
491.13400	67.0
491.29825	3.2
492.13458	1.5
493.11139	1.4
494.11679	1.1
509.14493	100.0
510.14389	1.8
671.19641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01860	1.6
55.05497	4.0
57.03429	1.6
59.04985	3.1
61.02914	2.0
65.03931	2.1
67.05515	7.8
69.03445	8.7
69.07079	5.4
70.06592	4.7
71.04986	3.2
71.61111	0.9
72.08166	1.6
73.02911	1.2
79.05499	6.5
81.03436	4.9
81.07063	16.8
83.01360	1.7
83.04970	2.9
83.08624	2.7
84.04503	1.6
84.08111	0.9
85.02921	13.5
86.06072	2.1
86.09692	1.8
89.03900	1.1
91.05485	8.1
92.05804	1.1
93.07053	10.5
95.01338	0.9
95.04954	2.6
95.08058	1.0
95.08624	13.2
97.02917	6.7
97.06516	2.9
97.10126	1.3
98.97619	1.6
99.00826	6.5
99.04443	4.0
99.08102	1.6
103.05497	1.7
105.07037	7.1
106.04197	1.0
107.04996	2.3
107.08598	8.9
109.02860	4.2
109.06525	3.7
109.10177	7.9
111.04413	1.6
111.08088	2.0
113.02368	1.2
117.01835	1.2
117.03371	1.4
117.06987	3.0
119.04916	2.7
119.08572	5.8
121.02872	3.5
121.05621	1.1
121.06512	2.5
121.10179	6.6
123.04398	1.4
123.08070	2.0
123.11711	3.6
125.06003	1.7
125.09633	1.7
127.03911	4.0
127.08730	0.9
129.06992	1.0
131.04922	1.3
131.08557	2.5
133.06473	2.5
133.10135	3.4
135.04376	1.7
135.08017	2.5
135.11661	3.1
136.07576	1.2
137.06001	6.5
137.09644	2.1
141.06995	0.9
143.08563	1.7
145.02818	2.6
145.04927	1.4
145.06635	0.9
145.10121	3.5
146.06024	1.4
147.04414	4.6
147.11656	2.0
149.06001	4.6
149.09595	2.1
149.13243	3.1
151.03931	2.1
151.07542	3.5
151.11172	1.3
153.05463	2.8
157.10144	1.0
159.11684	1.0
161.05949	2.5
161.09668	1.4
163.03888	2.6
163.07568	1.9
163.11137	1.1
163.14796	1.3
165.05502	1.1
165.09135	5.5
165.12756	1.5
167.07068	4.6
171.08043	1.8
175.03915	2.1
175.07530	3.4
177.05464	13.5
177.09079	1.4
179.10637	1.6
181.04987	13.1
183.06569	5.3
183.31581	0.8
189.05257	18.0
189.09094	16.9
190.06030	1.8
191.07059	1.3
191.10735	1.7
193.12363	1.0
195.06534	28.0
203.10648	3.5
205.08670	1.2
205.12241	1.4
207.06584	7.8
209.08092	12.6
221.08063	2.4
223.09674	15.5
231.10297	1.1
231.14040	1.0
235.09734	1.7
237.11241	22.6
249.11226	19.0
251.12869	3.3
261.11191	1.1
263.12766	3.7
265.14438	1.0
275.12848	1.8
277.14258	2.4
281.14053	0.9
285.55911	0.8
289.14343	2.7
291.15897	2.1
302.91400	0.8
303.15884	2.8
305.17374	2.5
315.05066	2.4
317.06479	2.2
317.17529	1.3
325.16623	1.1
329.06680	1.7
329.28894	1.3
330.07178	1.4
331.08093	3.9
355.08154	3.0
359.22263	1.1
375.25674	1.4
383.22311	1.7
385.23349	1.2
401.23297	1.8
403.24777	3.7
429.15414	2.0
433.25735	4.3
444.17172	1.7
455.27985	2.0
473.29080	12.2
491.30075	100.0
492.30447	4.4
509.14951	9.2
509.31180	37.6
510.31470	1.8
537.26227	1.0
653.35577	1.0
671.26349	27.6
671.36853	8.6
672.26440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05515	4.8
57.03208	0.6
57.03447	4.6
57.07080	37.3
60.20394	0.5
61.02635	0.9
61.02931	13.9
62.47784	0.4
67.05511	12.2
69.03448	2.3
69.07076	7.7
69.99182	0.7
69.99603	1.6
71.04992	1.0
71.08636	29.2
73.02926	5.1
75.04487	1.3
79.05478	2.2
81.03421	2.0
81.07066	17.7
83.04996	0.6
83.08630	11.5
85.02911	17.6
85.06524	0.6
85.10187	16.0
89.06033	1.1
91.03964	13.2
91.05493	1.9
93.07048	1.7
95.04961	1.8
95.08615	22.3
97.02899	8.4
97.10174	5.7
99.04449	1.3
99.11718	1.3
103.07630	0.7
105.07034	1.1
107.08583	0.8
109.02882	0.8
109.06458	0.6
109.10162	11.9
111.11733	1.6
115.03940	0.8
117.07028	0.4
118.24271	0.5
119.08593	0.8
121.06496	0.7
121.10138	0.9
123.11722	4.8
125.13275	0.8
127.03934	4.8
127.14812	0.5
131.08565	0.7
133.10175	0.5
137.13268	2.1
139.14880	0.8
144.08949	0.4
145.04970	6.9
145.10098	0.6
151.14819	0.7
163.06035	9.8
221.22688	0.8
239.23729	23.1
257.24741	4.1
288.73547	0.5
294.70993	0.5
298.27399	0.5
313.27386	100.0
314.27765	2.1
314.40686	0.5
331.28452	32.2
332.28702	0.5
333.05957	0.5
335.25824	0.5
428.13553	0.5
431.94086	0.5
539.79895	0.5
636.39594	0.8
672.41687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.1
55.68703	0.6
57.07079	32.5
57.17147	0.7
67.05506	1.2
69.07075	5.0
69.50751	4.6
71.08636	32.8
73.02937	0.6
73.06561	9.1
76.73232	0.6
79.05510	0.6
81.07058	1.8
83.08622	4.2
84.30618	0.6
85.10188	18.9
87.04470	9.0
89.06036	100.0
89.43504	0.6
91.05469	0.9
91.07614	0.8
95.08624	0.9
97.10174	5.1
99.11755	2.6
107.07065	1.8
107.08556	1.2
109.10155	0.9
111.11717	2.9
112.08736	0.7
113.13285	1.4
117.09135	7.0
119.08595	0.6
121.10173	0.7
125.13306	1.3
127.14855	2.1
130.08669	2.4
131.07048	2.6
133.08611	50.6
135.10199	1.1
141.16451	1.5
155.17903	0.6
161.11797	1.2
175.09692	2.0
175.82343	0.6
177.11240	21.5
179.93661	0.5
197.22736	1.3
219.12375	0.7
221.13867	3.3
235.81169	0.6
239.14969	1.1
241.25343	2.0
265.16483	1.4
283.17535	1.4
285.27893	6.1
285.30215	0.5
309.18973	0.8
327.20074	0.7
329.30551	2.4
371.22760	0.8
459.28079	3.2
655.49707	3.3
672.53015	1.3
673.26520	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	673.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01878	0.2
55.05510	0.4
56.96564	0.2
57.03419	0.7
59.37439	0.2
59.83412	0.2
65.03666	0.2
65.03947	2.0
67.05516	1.4
69.03436	1.5
69.07058	0.5
69.15047	0.2
70.06597	0.8
71.04998	0.3
71.60651	0.2
71.61050	0.3
74.06087	1.9
79.05501	0.6
81.03423	3.0
81.07063	1.1
82.04202	0.6
83.04969	0.4
84.08141	0.5
85.02910	3.5
86.09722	0.4
88.54900	0.2
91.05489	1.5
93.03400	0.6
93.07045	0.9
95.04983	0.9
95.08605	0.8
96.36317	0.2
97.02895	1.0
97.06539	0.9
99.04449	0.4
103.05462	0.4
105.07024	0.6
105.36624	0.2
107.04994	0.4
107.08598	0.7
107.34049	0.2
108.02030	0.3
109.02920	1.1
109.10160	0.8
110.03651	1.0
111.04462	0.6
111.08121	0.2
119.04932	1.3
119.08586	0.5
121.02849	0.3
121.06489	0.2
121.10166	0.7
123.04439	0.3
123.11701	0.4
125.02268	0.3
125.06010	0.8
125.09619	0.4
127.03900	0.7
131.04930	0.6
131.08652	0.3
133.10054	0.2
134.58493	0.2
136.07626	0.3
137.05977	1.0
137.09576	0.3
138.03157	0.4
140.04681	2.3
142.02609	1.0
143.08629	0.3
145.04956	0.4
145.10170	0.4
146.06041	0.4
147.04417	3.5
147.11714	0.3
149.05997	0.3
149.09668	0.3
153.01840	0.8
153.05486	0.5
155.07059	0.8
157.10027	0.3
159.07924	0.3
159.11758	0.3
163.03941	0.3
163.07553	0.7
165.05463	0.2
165.09122	0.7
167.03592	0.2
167.07089	0.4
171.06642	1.2
173.07144	1.3
174.07892	1.1
175.03906	0.4
177.05492	0.9
178.02640	0.4
179.07069	0.7
181.04967	55.8
182.05327	0.6
199.06035	2.3
201.16457	0.2
207.06531	0.8
241.04936	0.3
242.05768	2.0
258.05203	2.1
270.05231	9.7
273.04028	1.3
285.04123	0.5
286.04834	1.1
287.05487	4.3
299.05389	0.7
301.03583	2.0
301.06818	0.5
302.04221	2.8
313.03445	1.0
315.05008	37.3
316.05728	4.0
317.05762	0.3
325.09171	4.0
329.06641	0.3
331.08133	100.0
332.08505	2.0
333.09000	0.4
335.10315	1.0
343.10272	1.5
348.31189	0.9
349.31152	0.3
466.15244	0.3
481.13699	0.4
481.52817	0.2
502.77548	0.3
511.12842	0.3
672.41351	1.2
673.32867	0.3
673.42413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.92184	0.8
55.05519	4.2
57.03446	1.0
57.07082	32.2
67.05505	3.6
67.57301	0.8
69.07067	2.9
71.08640	23.3
71.59865	1.3
71.60303	1.1
71.95087	0.8
73.06563	9.4
79.05501	4.5
81.07060	5.0
83.08623	3.8
84.08141	1.1
85.06541	1.1
85.09707	1.4
85.10191	20.9
87.04478	10.3
89.06041	100.0
91.05481	3.3
91.07602	1.4
93.07038	3.4
95.05024	0.8
95.08603	3.4
97.10173	5.7
99.11740	2.5
100.23281	0.8
102.37512	0.9
105.07042	2.8
107.07102	2.4
107.08593	3.1
109.10156	2.0
111.11695	1.5
113.13292	1.6
117.07033	1.0
117.09136	8.0
119.08599	2.2
123.08122	1.1
125.09653	2.0
130.08618	1.6
131.07025	3.4
131.08534	1.2
133.08617	54.6
133.10197	2.0
135.10210	1.2
145.10126	1.2
155.17914	4.2
159.11708	1.5
161.11731	2.3
175.09683	1.5
177.11238	20.6
184.07439	1.0
199.20544	3.8
217.14261	2.4
221.13844	3.6
239.15012	1.2
243.23227	8.2
261.22061	0.9
263.04733	1.0
265.16559	1.9
283.17569	1.5
287.25937	5.2
308.64194	1.0
312.28497	1.0
335.25916	2.5
407.24286	0.9
445.25565	1.1
477.35721	3.1
502.46634	1.0
503.30292	1.0
598.10413	1.0
657.47833	2.1
674.50464	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	675.2264
Annotation	Cryptophycin 326
Peak:m/z	Relative Intensity
55.05504	1.4
59.04975	0.5
61.02918	0.6
65.19475	0.5
67.05503	2.4
69.03452	0.7
69.07057	0.8
69.48756	4.4
72.62706	0.6
79.05492	1.8
81.03412	1.8
81.07067	2.3
83.04999	0.8
83.08604	0.6
83.15752	0.6
84.08145	0.7
85.02908	1.4
91.05486	3.1
93.07057	1.7
95.04973	1.0
95.08609	1.9
97.02885	1.4
97.06550	0.8
105.07035	2.1
106.07359	0.7
107.04984	1.1
107.08605	1.6
109.02882	1.2
109.06570	0.7
109.10167	1.6
111.04456	0.6
119.04952	1.5
119.08604	1.6
121.02886	1.8
121.10147	1.0
127.03953	1.0
131.04961	0.7
133.06453	0.7
135.08054	0.6
136.07584	2.0
137.05992	1.3
145.02869	1.2
145.10118	0.8
147.04408	3.0
147.11635	0.6
148.04726	0.9
151.07607	0.5
157.10095	0.7
160.07491	0.8
162.82201	0.6
165.09148	0.9
167.07033	1.5
175.07536	0.6
176.04562	0.6
177.05505	1.7
185.04160	0.7
203.05452	0.8
204.04025	1.9
207.06607	1.6
213.08945	1.4
216.07724	1.3
229.08414	2.3
244.10818	0.8
271.86526	0.6
315.04950	1.7
331.08118	4.1
332.08401	0.8
333.08856	1.1
334.31146	0.6
397.16327	0.6
411.14243	1.8
413.17767	0.8
426.16574	5.0
427.17337	22.1
552.23236	1.1
562.34039	0.6
585.28821	4.0
589.22510	9.1
631.23639	39.6
632.23828	1.4
674.37286	0.9
675.22577	100.0
676.22919	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70282	0.4
67.05524	0.5
69.90793	2.6
76.84609	0.5
114.69685	0.5
131.91933	0.5
167.97458	0.5
247.08018	0.5
427.18039	0.5
444.18927	0.5
453.15863	0.7
454.16995	1.0
455.13211	0.8
467.18027	0.8
468.14078	3.0
469.14871	8.4
470.15918	1.9
471.16638	1.1
481.14316	2.5
482.15930	12.7
482.49884	0.6
483.16736	11.9
484.17343	2.3
485.18619	1.1
495.16672	2.4
496.17474	5.8
497.18283	44.3
498.18723	5.3
499.19754	0.8
510.19104	2.4
511.19781	5.8
512.20782	1.5
515.19501	1.6
528.16357	2.8
538.20258	0.8
539.19202	0.7
541.17358	1.1
542.18195	2.6
555.18646	2.9
556.19385	2.8
557.20569	3.6
569.20490	1.1
571.21747	0.8
616.21637	1.3
629.23108	0.6
643.23962	6.3
644.24841	7.4
645.23688	1.2
657.25647	5.6
660.24451	0.7
675.26648	100.0
676.26740	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	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76946	5.2
53.03933	9.8
55.01861	7.7
55.05495	16.1
57.03438	13.0
59.20687	5.3
61.02935	30.1
67.05518	48.7
69.03429	17.4
69.07079	14.3
70.06597	8.1
71.21297	13.5
73.02914	8.7
75.77080	7.0
79.05495	43.0
81.03415	14.1
81.07056	49.6
81.08331	6.0
83.08619	5.9
85.02908	27.5
86.09738	7.4
91.03949	14.5
91.05498	45.1
93.07053	66.2
95.08603	34.3
97.02898	15.8
98.27792	5.1
99.04463	5.7
100.01785	5.6
105.07032	50.4
107.04906	5.9
107.08617	39.3
109.10181	13.0
117.07008	18.9
119.04942	6.0
119.08602	37.7
121.10181	30.8
123.11682	6.1
127.03893	10.5
130.75249	6.6
131.08554	21.8
133.10168	40.7
135.11705	23.0
143.08556	12.6
145.05026	8.3
145.10143	31.3
147.04443	7.5
147.11684	29.4
149.13287	11.1
152.33409	5.3
155.08572	7.1
156.67458	5.8
157.10068	16.5
159.11694	23.3
161.13263	21.6
163.14772	9.1
167.07040	8.8
171.11665	14.7
173.13263	13.4
175.14888	10.3
177.05411	7.4
181.09975	6.0
185.13219	9.0
189.12735	5.1
190.85153	6.0
196.86713	5.4
211.01012	6.5
241.19522	23.1
259.20633	55.0
277.21744	10.9
333.24149	10.9
351.25360	100.0
375.25354	12.1
441.26312	8.9
459.27353	12.4
477.27896	9.1
495.29657	12.4
672.96667	6.2
675.37830	8.5
701.14825	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	677.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58009	0.2
51.51666	0.2
55.05501	0.3
67.05506	0.6
69.07067	0.3
69.30223	2.4
79.05494	0.5
81.07059	0.7
89.26027	0.3
89.65079	0.3
91.05466	0.3
93.07050	0.4
95.05011	0.3
95.08649	0.4
97.02892	0.2
107.08635	0.3
109.10204	0.4
121.10187	0.3
126.14161	0.3
133.10132	0.3
134.41672	0.3
145.10168	0.3
185.04269	0.7
203.05345	0.3
220.01105	0.2
256.26422	0.5
259.08060	0.5
317.13873	0.3
333.25128	0.5
347.09354	1.3
421.13226	0.3
500.03275	0.3
514.96625	0.3
515.31952	24.5
516.32190	0.8
677.37219	100.0
678.37677	3.3
707.59949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.05510	16.9
57.03436	6.6
57.07066	3.5
61.02936	16.8
65.03941	2.4
67.05509	84.4
69.03427	2.8
69.07073	11.4
69.37616	10.7
69.38027	4.5
71.05012	3.1
71.08617	1.9
73.02911	7.5
77.53104	1.6
79.05497	56.7
81.03423	2.3
81.07061	98.4
83.05017	2.0
83.08607	7.2
85.02905	20.4
85.06532	2.4
91.03955	17.0
91.05489	24.0
93.07053	65.9
95.04981	3.5
95.08614	78.1
97.02917	9.0
97.06532	4.8
97.10178	3.4
99.08123	2.8
105.07043	23.3
107.08600	42.5
109.10167	37.2
111.08099	2.6
117.07069	9.0
119.08582	19.4
121.10143	33.9
123.08048	1.7
123.11729	21.8
125.09612	1.9
127.03925	5.1
131.08572	22.5
133.10158	15.4
135.11705	34.3
137.13245	7.7
141.74019	1.7
145.04979	7.4
145.10150	16.9
147.11667	16.3
148.78203	1.7
149.09557	1.9
149.13254	23.1
151.11256	2.8
151.14781	3.0
153.12758	2.1
155.40173	1.8
159.11700	16.9
161.13286	14.1
163.06049	11.6
163.14861	15.8
173.13261	15.2
175.14816	2.5
177.16426	6.2
179.14317	4.0
187.14787	10.7
197.56380	1.8
201.16418	4.2
205.15900	1.9
233.22679	4.2
243.21092	36.3
261.22165	100.0
262.22595	2.2
263.23718	1.9
279.23233	7.1
335.25790	35.3
353.26883	29.0
497.31406	4.3
581.77435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01854	1.8
55.05290	1.4
55.05511	15.9
55.23997	1.3
57.03423	5.1
57.07059	5.5
61.02929	23.4
64.38340	1.2
65.03953	1.5
67.05506	67.3
69.03427	4.1
69.07067	12.4
70.46098	1.1
70.83503	2.9
71.04986	3.7
73.02924	8.5
76.85052	1.3
79.05494	46.3
80.05818	1.3
81.03427	3.1
81.07059	73.3
83.04952	1.7
83.08624	6.6
85.02907	27.9
85.06552	2.5
91.03960	24.1
91.05482	28.0
93.06453	2.5
93.07049	51.4
94.72789	1.3
94.92712	1.4
95.04963	3.7
95.08611	55.8
96.84665	1.4
97.02897	14.0
97.06525	3.8
97.10155	3.8
99.04453	1.4
99.08080	3.2
105.07037	18.2
107.08595	38.2
109.06496	2.3
109.09444	2.1
109.10161	30.5
111.08033	1.9
111.11700	1.6
113.09631	1.6
115.03901	2.4
117.07008	8.4
119.08580	16.5
121.09306	2.5
121.10150	33.0
121.11015	2.5
123.08083	1.7
123.11728	14.6
124.42358	1.3
125.09646	1.6
127.03924	8.8
129.06981	2.1
131.08565	19.1
133.10121	14.7
135.11690	27.4
137.09633	1.9
137.13254	7.8
139.11186	2.1
143.08595	1.7
145.04950	10.0
145.10121	14.8
147.11688	11.0
149.13266	19.7
151.11209	3.1
151.14789	2.7
159.11685	17.6
159.12878	2.3
161.13245	12.6
163.06020	16.1
163.14845	13.3
165.12692	3.6
165.53447	1.4
173.13271	16.6
175.14790	4.4
176.50771	1.5
177.12772	1.9
177.16365	6.3
179.14284	2.2
187.14809	8.0
189.12747	1.4
191.14258	1.7
201.16309	3.0
204.97762	1.4
205.15828	1.8
215.17963	1.7
219.17445	1.5
233.22614	4.4
243.18733	2.5
243.21094	31.8
260.35547	1.7
261.22150	100.0
262.22443	1.8
263.23688	1.7
279.23282	1.6
335.25858	16.8
343.01721	1.3
353.22849	2.4
353.26846	29.6
661.50830	1.9
677.35834	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	678.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78568	4.9
58.58822	4.8
98.20613	9.0
133.15718	5.1
135.97905	4.8
157.98293	5.2
186.99016	5.0
199.15016	4.5
250.61328	5.9
396.67609	5.1
418.18243	6.0
431.18546	6.0
445.19885	7.2
459.22287	26.4
475.21262	16.2
476.22272	6.1
477.23026	12.4
535.23181	6.5
547.26575	6.0
561.24835	10.7
563.26105	18.0
578.25043	5.4
589.24481	10.7
593.25677	8.2
595.25177	9.7
606.28497	52.1
607.27057	6.4
621.27051	41.2
622.27863	100.0
623.27893	21.3
638.27179	22.3
651.36499	5.8
678.29620	26.8
694.83838	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21453	3.1
53.03952	3.2
55.05508	14.6
57.03436	8.4
57.07062	3.2
67.05504	44.1
69.03446	4.6
69.07062	12.8
71.04994	6.7
71.60867	3.4
76.75406	3.4
79.05511	24.3
81.03419	14.3
81.07061	54.0
83.04980	8.7
83.08620	11.0
84.08089	3.2
85.02912	9.8
91.05492	29.7
93.07050	42.7
95.04965	11.3
95.08611	28.0
97.02926	5.1
97.06535	10.8
99.08109	3.1
105.07028	22.8
107.04964	6.0
107.08606	18.0
109.02879	5.0
109.06481	4.3
109.10160	9.4
111.08108	3.8
113.82866	2.9
116.70142	3.3
117.07024	7.8
119.08578	12.6
121.06537	4.6
121.10115	8.4
123.11703	4.6
127.03966	5.4
129.06989	5.6
131.08589	10.2
133.10149	19.0
135.11726	7.3
139.07558	3.2
145.10150	6.0
147.04419	7.1
147.08017	3.5
147.11668	4.7
149.09674	3.9
149.13297	16.2
151.11232	5.2
157.10225	5.5
159.11681	11.4
161.13290	5.1
177.05446	4.5
177.12773	14.7
179.14362	7.9
193.12242	9.5
195.13831	12.4
211.13303	10.7
233.15442	3.2
253.14403	3.8
253.17963	6.5
267.15710	6.0
269.17493	100.0
271.19046	6.2
285.16946	15.7
331.27328	2.9
371.26108	3.7
445.29486	3.5
463.31180	16.1
481.31476	12.4
496.40494	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19710	6.8
53.03922	7.0
53.52332	6.9
55.01860	14.1
55.05523	46.8
55.94128	6.9
56.59267	7.3
57.03437	13.4
64.61947	6.5
67.05508	100.0
69.07081	33.5
69.58601	17.0
69.59019	29.8
79.05496	68.0
81.03452	7.1
81.07065	92.1
83.04971	9.0
83.08607	23.0
86.09711	9.0
89.15241	7.6
90.37109	6.5
91.05483	76.9
93.06531	8.7
93.07055	80.6
93.07630	10.2
95.04966	12.2
95.08619	43.0
97.06564	9.1
105.07045	70.2
107.04916	8.5
107.08611	37.1
109.06508	15.9
109.10146	26.4
111.08077	7.6
117.07019	17.1
119.08589	58.5
121.10127	25.9
123.11651	7.1
125.00013	12.8
127.47041	7.1
129.06958	14.2
131.08563	29.0
133.10153	36.7
133.85696	7.1
135.11649	16.5
143.08519	17.1
143.97029	7.9
145.10135	31.3
147.11707	34.9
149.13281	9.8
153.06601	6.5
155.08556	9.4
157.10181	17.6
159.11682	25.9
161.13222	18.8
171.11551	13.2
173.13332	12.1
181.10268	10.4
184.07359	46.5
185.13245	10.3
197.13330	11.2
198.51466	6.9
204.80119	7.8
223.14751	9.5
255.15915	8.7
259.20486	26.6
275.19962	8.3
276.76981	8.6
333.24158	21.4
336.57074	8.1
418.03140	7.4
527.37164	19.4
548.41736	8.0
625.44617	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.8
55.01868	10.6
55.05513	41.2
57.03441	10.0
57.05254	3.3
57.07069	6.3
59.05019	3.2
65.03931	5.4
67.05508	99.7
69.03432	4.4
69.07079	32.9
70.18676	12.1
71.04992	11.2
71.08632	16.4
74.01683	3.2
79.05504	86.1
81.03423	14.4
81.07066	100.0
83.04985	12.1
83.08638	19.0
85.06550	7.3
86.09710	8.1
91.05486	78.5
93.07050	94.5
94.07365	4.1
95.04966	20.4
95.08617	63.5
95.76179	3.4
97.06532	29.9
97.10178	9.8
98.20778	3.6
99.08112	10.7
105.04576	4.6
105.07033	73.8
107.04961	10.7
107.08607	47.0
109.06516	13.9
109.10149	45.2
111.08084	10.7
115.07587	8.5
117.07038	24.9
119.08591	49.3
121.06551	7.9
121.10147	35.6
123.08083	11.8
123.11703	10.3
125.00005	4.7
125.09658	7.4
128.06291	4.3
129.07021	13.8
131.08577	35.6
133.06531	4.9
133.10124	57.8
135.08075	9.2
135.11693	23.4
137.09605	6.2
143.08589	10.8
145.10121	25.2
147.08028	4.1
147.11703	23.7
149.09590	5.5
149.13283	14.5
151.11208	23.9
157.10123	8.4
159.11705	21.4
160.08881	3.4
161.09599	7.2
161.13292	18.5
163.11238	8.9
163.14905	5.7
169.12314	4.2
171.11719	10.1
173.13309	11.3
175.14793	5.6
177.12823	9.6
179.14314	19.1
184.07384	25.7
185.13332	7.8
187.14848	4.4
192.95578	3.9
199.14806	6.4
211.14748	3.6
241.19580	9.9
245.19019	4.3
253.14352	28.9
257.19046	6.3
259.20526	21.4
261.22153	10.2
273.18484	7.4
275.20193	21.1
277.21500	16.0
291.19742	7.0
293.21106	34.0
315.23236	7.9
333.24362	26.6
335.25754	30.3
348.25653	3.4
349.23926	5.8
351.25146	9.5
365.23178	6.0
367.24731	20.9
529.38580	11.5
607.43622	3.7
611.46503	15.3
625.44916	21.0
643.45996	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	678.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
53.26663	2.5
55.01859	7.1
55.05292	3.0
55.05517	29.4
57.03432	9.0
57.07060	6.2
65.03941	3.2
67.05165	3.1
67.05511	59.9
69.03415	3.4
69.07072	26.7
70.06586	2.6
71.04982	6.7
71.08636	40.0
71.59805	1.8
79.05051	2.9
79.05501	50.7
81.03413	8.6
81.07063	61.2
83.05013	11.0
83.05383	2.0
83.08618	13.2
85.02892	2.7
85.06519	3.2
86.95058	2.1
91.05485	32.0
93.07053	54.4
95.04985	15.5
95.08048	2.9
95.08621	39.4
97.06551	10.5
97.10181	10.6
99.08093	22.2
103.67915	2.1
105.07045	27.4
107.04955	9.7
107.08608	35.7
109.06515	8.4
109.10173	20.1
111.04441	2.1
111.08059	4.3
113.09659	2.3
117.06990	10.0
119.08595	17.2
121.06513	10.8
121.10143	28.2
123.08070	4.2
123.11731	2.6
125.09601	8.8
131.08582	9.4
133.10141	20.2
135.08025	2.6
135.11684	22.0
137.09575	4.4
139.11111	3.4
145.06494	2.2
145.10156	11.1
147.08038	2.1
147.11728	11.5
148.07555	9.5
149.09648	5.5
149.13257	6.7
151.11179	9.6
159.11690	3.9
161.13254	11.2
163.11191	7.0
167.10706	2.8
173.13133	2.7
175.11214	2.5
176.07074	5.0
177.12781	4.2
179.14326	58.5
184.07372	5.2
185.13252	2.4
189.11232	3.1
189.12746	2.4
195.13762	2.5
213.16249	2.9
227.12738	4.5
229.14334	3.8
235.16879	4.1
236.67564	2.6
259.20554	3.5
267.15817	3.4
275.19958	10.3
277.21625	39.9
283.15475	7.0
291.19830	3.0
293.21136	100.0
295.22665	4.5
312.15939	2.7
313.27347	4.2
335.25833	5.8
336.26273	2.3
337.27344	11.9
348.17932	2.7
349.23996	2.7
351.25281	19.9
367.24811	30.0
381.22800	4.4
481.28516	2.6
545.38434	8.4
575.26410	5.1
603.26672	2.8
620.40198	3.0
625.44104	6.1
635.27771	8.0
643.35596	4.3
643.45715	69.4
660.44470	4.2
678.45453	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	679.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	0.4
65.67410	0.5
71.59019	0.5
74.02466	0.5
85.02895	0.5
89.03911	0.6
91.05497	1.3
115.05482	1.0
117.05739	0.6
117.07040	1.6
118.06543	18.0
119.06864	0.5
130.06551	1.1
132.08090	5.4
135.04431	0.8
142.06465	1.8
143.07309	2.5
144.04433	0.6
144.08089	13.0
145.02789	0.5
145.06482	0.4
146.06009	61.9
147.06386	0.7
159.09183	4.6
160.07573	0.9
163.03879	3.5
164.04271	0.4
170.06021	3.7
188.07065	100.0
189.07433	1.3
205.09723	42.7
407.89246	0.4
685.65765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64716	1.9
53.03942	3.8
54.73289	2.3
55.05512	22.6
57.03422	7.6
57.07070	12.0
61.02930	18.7
62.79557	1.9
65.03921	2.1
67.05508	86.2
69.03410	3.9
69.07065	29.6
69.86565	11.9
71.08616	6.7
73.02899	6.9
79.05496	23.5
80.02909	2.0
81.03391	2.2
81.07057	100.0
83.04979	2.5
83.08620	22.7
83.81544	2.4
85.02895	20.6
85.06535	4.9
85.10175	3.4
87.55016	2.3
91.03941	15.8
91.05471	19.8
93.07050	31.3
94.98694	1.9
95.08611	82.2
97.02885	8.5
97.06543	10.8
97.10181	13.5
99.04469	2.3
99.08096	6.4
105.07040	12.7
107.08588	22.2
109.06524	2.6
109.10164	42.5
111.08097	5.0
111.11723	3.1
119.08577	15.1
121.10139	22.9
123.11717	23.0
125.09657	4.1
125.64233	2.5
127.03928	3.3
131.08511	3.2
133.10161	16.9
135.11697	11.1
135.12570	1.9
137.09685	3.4
137.13264	6.4
141.12726	4.3
145.04953	8.1
145.10045	2.6
147.11697	12.8
149.13287	10.0
151.14798	7.9
155.14278	3.4
161.13237	13.1
163.05998	7.6
163.14851	12.7
165.16406	13.0
175.14778	10.0
179.17935	7.9
189.16316	4.8
245.22649	65.0
248.83539	2.1
263.23724	79.8
337.27374	72.3
355.28479	8.7
490.69315	2.3
499.32718	3.6
679.55981	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.5
55.05511	25.2
57.03430	15.3
57.07061	6.4
67.05511	83.1
69.07066	26.0
71.05001	7.3
71.08641	35.1
71.60563	7.0
79.05504	81.4
81.03407	11.3
81.06630	9.5
81.07065	100.0
83.05005	9.5
83.08611	20.8
91.05492	55.7
93.07053	92.5
95.04975	15.9
95.08612	56.8
97.06539	9.9
99.08084	29.4
105.07040	51.1
107.04970	8.3
107.08588	41.9
107.54212	4.9
109.06544	12.0
109.10159	15.8
117.07020	14.4
119.08572	35.9
121.10174	37.0
123.11713	8.9
125.09619	6.5
129.62102	6.1
131.08577	20.2
133.10127	25.4
135.11751	34.8
143.08575	11.1
145.10126	17.0
149.13255	11.0
151.11174	16.4
159.11682	20.1
161.13205	9.5
163.11230	7.8
171.11603	6.5
179.14314	71.0
229.14258	6.0
259.20554	9.6
269.17526	19.6
275.20090	8.1
277.21667	56.4
293.20923	10.1
335.25830	10.0
351.25345	48.4
545.38574	66.6
627.45941	30.4
681.42877	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	681.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
55.05516	40.6
57.03436	8.3
57.07085	19.6
61.02929	23.2
64.24108	2.3
65.03951	2.8
67.05508	51.0
67.26647	2.5
69.03421	4.0
69.07071	60.2
71.04979	2.7
71.08643	13.2
71.30986	5.6
73.02941	6.5
75.04485	3.2
79.05496	27.2
81.03408	4.3
81.07061	61.3
83.04999	4.2
83.08629	48.9
85.02917	26.4
85.10194	7.4
89.20292	3.2
91.03967	15.1
91.05498	7.3
93.07046	36.8
95.04961	2.6
95.08611	55.4
97.02904	14.0
97.06528	10.8
97.10183	32.7
99.08094	2.8
105.07033	2.9
107.08595	23.5
109.10165	29.1
111.08097	8.8
111.11732	11.3
117.07042	3.0
121.10156	42.4
123.11732	9.4
125.09596	3.7
127.03935	8.3
135.11703	35.2
135.12573	4.1
137.69716	2.6
139.11206	4.9
143.10628	3.0
145.04971	9.3
149.13264	19.8
151.14859	7.1
163.05994	7.9
163.14847	9.7
165.16440	3.9
167.93759	2.7
176.41563	2.9
177.16383	3.2
210.66263	2.6
247.24249	44.3
265.25272	91.8
283.26306	17.7
292.69650	2.6
339.24854	5.7
339.28961	100.0
357.29910	20.1
396.75140	3.6
475.36493	2.7
501.34320	4.9
579.06580	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	681.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55918	1.0
53.03938	1.9
54.15178	0.9
55.05513	1.2
56.68885	0.9
56.96567	17.1
57.03430	1.1
63.67363	0.9
65.03959	1.3
67.05495	2.3
68.99786	1.0
69.03425	3.8
69.07072	1.4
69.79460	1.0
69.88966	2.6
69.89359	1.9
70.06596	1.0
71.95261	2.3
72.96073	1.9
75.50092	0.9
79.05501	1.7
81.03421	3.6
81.07059	2.5
83.04987	1.2
83.08600	1.0
84.45518	0.9
85.02911	4.3
87.77949	1.0
91.05476	5.4
93.07050	2.2
95.04977	1.4
95.08586	2.0
97.02897	1.8
97.96937	0.9
98.20821	1.8
99.04475	1.7
105.06998	1.6
107.08601	3.0
109.02882	5.0
109.10143	1.7
110.97556	1.1
119.04958	1.0
119.08656	1.7
121.10133	1.5
127.03915	5.7
129.01907	1.1
129.06979	1.0
133.10143	2.2
133.27869	0.8
135.11711	1.1
137.06032	1.4
145.02895	1.3
145.04951	1.5
145.10083	1.2
147.04437	3.0
161.09604	0.9
175.03926	1.0
177.05658	1.8
207.06543	2.2
213.03908	1.0
213.07954	1.1
223.10049	4.2
230.05623	0.9
235.09972	6.7
241.09081	0.9
241.11121	51.2
253.11121	91.4
254.11441	1.3
259.12186	37.1
264.12747	3.0
269.10669	1.7
271.12177	97.5
272.12491	1.6
276.12769	1.7
289.13107	1.9
294.13721	11.0
332.57330	1.0
409.60886	1.0
415.37509	0.9
422.36664	1.0
467.26828	100.0
468.26941	3.2
499.32391	1.3
502.35352	1.6
606.09076	1.3
637.38898	1.0
681.34460	31.0
682.34277	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	682.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10876	0.7
55.05497	1.5
61.02912	1.0
65.33931	0.8
67.05504	2.8
69.03416	1.6
69.07072	3.7
70.06606	0.8
70.11047	3.2
77.03878	0.6
79.05486	2.8
79.18704	0.6
80.01381	1.2
81.03395	1.7
81.07053	3.0
85.02918	1.5
85.06496	0.8
91.05501	3.3
93.07056	2.1
95.04962	1.0
95.08617	2.0
97.02897	1.4
97.06561	0.9
105.07004	1.6
106.06520	1.7
107.04962	1.1
107.08572	1.6
109.02889	1.1
109.10161	2.1
116.04974	1.6
119.04951	1.3
119.08532	1.0
121.02832	0.8
121.06522	0.7
121.10137	1.3
125.49306	0.7
127.03925	1.0
132.08092	0.7
134.06018	17.3
135.11739	0.8
136.06180	0.8
136.07571	3.4
137.05920	1.2
137.08408	1.6
140.07053	1.1
145.02864	0.8
145.10117	1.2
147.04414	2.5
148.07587	0.8
150.09099	0.8
152.07074	9.9
160.07527	1.0
166.08653	1.4
167.07072	0.8
176.07059	0.8
176.10724	1.6
177.05502	1.6
178.08646	6.7
179.09419	2.8
180.06575	2.5
180.10246	5.4
188.10716	0.7
190.12328	0.7
202.12317	1.3
204.10255	1.2
206.08133	12.2
207.06610	1.1
224.09209	2.0
254.15607	0.7
306.24344	0.8
350.23318	1.1
412.32028	1.4
421.26230	0.8
422.31012	1.0
440.31348	3.9
458.36990	1.5
484.34470	1.4
502.35315	100.0
503.35580	4.4
520.36426	41.3
521.36829	2.0
682.40533	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	682.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.05515	20.9
56.46264	3.4
57.03436	6.2
58.82112	3.6
60.12145	3.3
67.05511	52.1
69.07083	17.0
69.22246	39.2
71.08662	3.0
73.94817	3.4
79.05496	30.8
81.03442	3.7
81.07056	48.9
83.08627	12.8
91.05479	25.9
93.07057	43.7
95.04979	6.2
95.08601	29.8
97.10149	5.0
105.07028	22.2
107.08611	26.6
109.10148	15.4
117.07037	11.4
119.08582	17.3
121.10147	13.4
129.07047	6.2
131.08568	17.1
133.10130	10.4
135.11693	9.7
145.10121	13.5
147.11699	8.9
149.13292	5.6
157.10048	4.0
159.11755	7.1
173.13319	6.4
254.65685	3.4
261.22128	7.7
269.17499	8.1
277.21832	4.7
331.18701	4.2
335.25818	20.8
346.44913	3.8
351.04880	3.6
515.37714	4.8
529.38983	27.9
558.54156	3.8
611.46637	15.3
629.46948	5.1
651.55487	4.3
664.42389	10.1
682.43604	100.0
683.44910	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	683.4493
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
50.77433	0.5
55.05507	1.6
57.07075	0.9
60.76268	0.4
67.05511	3.5
69.07066	2.1
70.15939	1.9
71.04991	0.8
71.08640	1.1
79.05495	2.7
81.03426	0.8
81.07061	3.9
83.05004	0.8
83.08633	0.8
91.05479	2.4
93.07060	2.4
95.04980	0.7
95.08620	2.7
99.08134	0.8
105.07048	1.7
107.08596	2.2
109.10164	0.9
117.06992	0.8
119.08594	1.0
121.10119	0.7
131.08612	0.6
133.10094	0.8
134.63568	0.5
145.10191	0.9
147.11667	0.6
179.14334	1.0
315.19424	0.5
317.20914	6.1
333.20361	3.1
337.60275	0.5
373.23788	2.4
389.22964	3.7
571.47632	0.6
683.44995	100.0
684.45416	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	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
50.24880	0.4
51.51558	0.4
55.05503	1.5
57.03438	0.7
57.07073	0.7
67.05504	3.1
69.07067	1.7
69.35749	2.6
69.36173	1.4
79.05495	2.8
81.07066	2.9
83.08623	0.8
85.38270	0.4
91.05470	2.6
93.07024	3.0
95.08595	2.7
98.20758	1.0
105.07037	1.8
107.08603	1.7
109.10153	1.0
117.07011	0.6
119.08586	2.0
121.10186	1.2
133.10153	1.9
135.11685	0.5
136.06218	1.1
143.08545	0.6
145.10095	0.9
147.11687	0.8
161.13246	0.5
303.15598	0.7
317.21051	1.1
333.20398	7.4
333.24155	0.9
373.23511	1.3
375.94861	0.5
389.23022	4.3
461.25040	0.6
597.38019	1.1
683.44977	100.0
684.45447	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	684.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	1.7
55.05673	0.7
63.15270	0.6
67.05424	2.7
69.03362	1.3
69.06988	3.8
70.06532	0.6
70.94248	1.0
79.05487	4.7
80.01299	1.7
81.03352	1.0
81.06969	6.3
83.08553	0.5
85.02805	1.9
86.09658	0.6
91.05392	2.4
93.06943	1.7
95.08620	4.8
97.02818	0.7
97.10080	0.7
99.04349	0.5
104.58511	0.6
105.06976	0.7
106.06569	4.2
107.04886	1.0
107.08520	1.7
108.08061	0.7
109.02861	0.9
109.10062	2.1
113.85973	0.6
116.04994	3.0
117.06875	0.6
123.04324	0.6
123.11617	0.8
124.07504	1.3
127.03840	0.9
132.07973	0.9
133.10022	0.9
134.06021	36.4
134.06970	1.3
135.07977	1.1
136.07574	8.0
137.08356	2.9
137.09193	0.6
138.09039	0.8
140.07014	0.9
145.09995	0.8
147.04303	0.8
148.07452	1.6
150.09045	2.2
152.07065	11.5
160.07526	1.4
161.08307	0.6
162.09036	1.8
166.08571	1.7
167.06874	0.6
168.06532	0.7
174.09041	2.2
175.09875	0.5
176.07034	1.1
176.10701	3.5
177.07724	1.0
177.11343	0.8
178.08644	12.4
179.09402	5.1
180.06577	4.8
180.10217	6.5
182.08095	1.0
188.10638	2.0
190.08575	1.6
190.12190	2.1
191.06622	0.6
192.06441	0.6
192.10136	0.9
194.08124	0.6
194.11647	1.6
202.12280	4.4
204.10242	3.0
206.08144	25.7
208.13290	1.0
212.10683	0.9
214.12202	0.7
218.11690	1.5
218.15430	0.7
220.13181	1.5
224.09174	4.0
226.12219	0.8
228.13704	0.7
230.11743	3.0
232.13161	0.9
234.14830	1.3
236.09132	0.9
238.10629	1.1
244.13358	0.8
246.14903	0.7
248.12816	0.9
250.10739	1.0
264.12271	0.9
266.13663	1.2
278.13907	0.9
280.15366	1.8
292.15457	3.5
306.16837	0.7
334.19934	0.7
356.25952	1.0
359.27780	0.6
362.22891	0.7
396.32355	1.2
406.30978	1.7
424.32144	4.4
430.29550	0.8
442.32208	1.0
442.37051	1.8
460.34833	0.6
468.34860	0.8
486.35822	100.0
487.36127	3.2
504.36853	56.6
505.37299	1.2
522.37946	89.3
523.38336	1.8
631.30853	0.7
666.42487	2.7
684.43250	39.4
685.43927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48866	0.3
53.03923	0.4
55.05460	1.5
62.04708	0.3
67.05444	2.0
69.07006	3.4
70.75104	0.9
71.04895	0.3
79.05505	2.8
80.01385	1.9
81.03378	0.4
81.07059	3.7
83.08568	0.5
85.02855	0.8
91.05491	1.5
93.06973	1.2
95.04892	0.4
95.08611	1.9
96.08801	0.3
105.06966	0.6
106.06561	3.8
107.04872	0.4
107.08502	0.9
108.08061	0.5
109.10086	1.4
111.87649	0.3
116.04962	1.5
120.08054	0.4
121.10069	0.6
123.11648	0.4
124.07583	0.6
132.08052	0.5
134.06024	29.7
135.06384	0.4
136.07591	4.6
137.08380	2.8
138.09090	0.5
140.07025	0.7
146.09570	0.4
148.07503	1.1
150.09071	1.1
151.09906	0.6
152.07076	7.4
154.08607	0.9
160.07487	1.0
161.08282	0.8
162.09169	1.9
164.06981	0.4
164.10678	0.5
166.08665	1.8
174.09154	1.7
175.09843	0.4
176.07019	1.3
176.10735	2.3
177.11395	0.7
178.08652	9.7
179.07977	0.3
179.09409	4.6
180.06615	3.9
180.08850	0.3
180.10205	4.6
188.06958	0.6
188.10680	2.2
189.11401	0.6
190.08516	1.3
190.12204	1.4
192.10107	0.7
194.11758	1.1
200.10551	0.4
202.12268	3.4
203.12994	0.5
204.10327	1.8
204.13791	0.5
205.10852	0.4
206.08141	20.5
206.11430	0.9
208.13292	0.8
212.10583	0.4
214.12297	0.8
215.12993	0.4
216.10165	0.7
216.13834	0.5
218.11705	1.3
220.09605	0.4
220.13412	1.5
224.07477	0.3
224.09245	3.5
226.12280	0.6
227.12939	0.4
228.13779	0.7
230.11792	1.8
230.15282	0.4
232.13290	0.6
234.11304	0.3
234.14871	0.6
236.09119	1.2
236.12801	0.4
238.10580	0.9
240.13812	0.4
248.12856	0.5
248.16202	0.4
254.15535	0.5
264.12189	0.4
266.13809	0.7
272.33618	0.3
278.13797	0.6
280.15314	1.9
282.18805	0.4
292.15433	2.4
306.16949	0.4
334.20276	0.4
350.23572	0.3
356.25635	0.6
396.32556	2.1
403.98788	0.4
406.31036	1.2
418.29465	1.0
424.32132	3.0
430.29691	0.6
442.33148	1.4
442.37671	0.7
468.34613	0.6
486.35825	100.0
487.36221	4.0
504.36874	81.3
505.37106	2.6
522.37939	40.5
523.38342	1.1
648.40601	0.4
666.42090	13.8
667.42346	0.7
684.43201	17.1
685.43561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
57.07080	0.7
62.82501	0.6
67.05512	3.7
69.07034	0.7
69.60521	4.1
71.04987	1.1
71.08624	1.4
79.05497	2.2
81.07076	3.4
83.08673	1.1
91.05482	1.7
93.07047	2.8
95.08619	1.6
98.21575	0.9
105.07034	1.8
107.08604	1.7
109.10165	1.4
117.07008	0.8
119.08591	1.1
121.10165	1.4
139.11256	0.7
139.64360	0.7
153.49554	0.7
179.14430	1.0
317.20886	4.9
335.21939	4.9
373.23544	2.4
391.24454	3.6
436.70560	0.7
444.30127	0.9
627.69617	0.9
640.55884	0.9
685.46527	100.0
686.47064	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01867	1.2
55.05286	1.1
55.05519	10.9
57.03441	13.0
57.07061	1.6
59.04991	4.6
61.02916	2.7
65.03930	3.9
67.05508	100.0
69.03435	0.9
69.07071	8.5
71.04983	3.2
71.21467	2.0
73.02914	1.3
79.05498	20.9
79.31181	0.9
80.67903	1.0
81.07059	35.0
83.05038	1.0
83.08617	7.9
85.02905	4.1
85.06548	3.1
91.03958	1.8
91.05489	14.1
93.07048	21.5
95.04975	2.0
95.08606	26.1
97.02892	2.2
97.10165	2.6
99.08133	1.2
105.07040	6.6
107.08606	13.3
109.06479	1.0
109.10162	78.6
110.73907	0.8
111.08081	2.5
117.07022	2.9
119.08578	10.1
121.10147	8.3
123.11746	3.4
125.09624	1.1
131.08571	6.0
133.10129	3.5
135.11729	5.3
137.09622	3.4
140.86899	0.9
143.08624	0.9
145.10121	3.2
147.11665	3.6
149.13280	3.3
155.10680	8.8
159.11729	2.5
161.13260	2.3
163.14819	3.2
173.11760	18.1
173.13196	1.9
175.14861	1.1
177.16293	1.0
189.11223	1.1
227.12772	4.3
229.14363	81.1
230.14728	1.1
243.21059	5.2
261.22125	12.8
317.24707	3.6
335.25815	60.2
336.26236	1.6
397.31128	1.5
489.35785	29.8
490.36166	2.1
507.36893	1.8
708.75354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01888	1.3
55.05517	13.4
57.03450	12.6
57.07074	1.8
59.04998	3.2
61.02925	4.6
63.15336	1.1
65.03947	1.8
67.05508	100.0
69.03444	1.6
69.07067	8.6
70.00427	5.0
71.04996	3.3
71.37114	1.2
72.64117	1.0
79.05044	2.2
79.05493	23.8
79.05952	1.7
81.07063	39.7
83.08630	9.4
85.02926	3.8
85.06549	3.9
91.05482	14.6
93.07047	23.6
95.04975	1.7
95.08607	27.2
97.02895	2.5
97.06559	1.7
97.10173	1.6
98.20809	1.7
105.07043	8.1
107.08591	14.4
109.10161	79.7
110.10509	1.7
111.08064	2.5
112.84563	1.1
117.07043	2.3
119.08591	12.5
121.10154	12.9
123.11691	3.7
125.09603	1.5
131.08583	5.1
133.10149	5.6
135.11719	8.1
137.09601	2.6
145.10158	4.8
147.11703	2.7
149.13301	5.3
155.10678	8.2
159.11702	3.3
161.13300	5.2
163.14806	2.6
173.11751	16.8
173.13303	4.0
187.14803	2.7
189.11295	1.4
227.12799	4.5
229.14362	73.9
243.21117	4.6
261.22144	18.4
317.24890	2.3
335.25812	73.4
489.35822	54.9
490.36340	2.1
507.36627	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	686.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
56.79049	0.7
57.07078	34.7
58.71776	0.6
65.55119	0.6
67.05500	1.6
69.07065	6.1
69.54844	4.7
71.08635	30.0
73.06559	8.4
79.05487	0.9
81.07056	2.3
83.08627	4.9
83.62673	0.7
85.10181	19.0
87.04475	8.0
89.06034	100.0
91.07616	0.8
93.07066	0.7
95.08614	2.0
97.10174	6.2
99.11727	3.1
101.95012	0.7
105.07076	0.8
107.07085	2.6
109.10117	0.7
111.11715	3.6
113.13318	1.5
117.09122	7.2
119.08585	0.8
121.10127	0.9
121.19552	0.6
125.09634	0.7
125.13271	1.5
127.14816	1.5
130.08647	2.9
131.07063	2.3
133.08609	53.6
134.19400	0.6
135.10194	1.4
141.16382	1.9
145.10265	0.7
155.17964	1.3
156.64340	0.6
161.11687	1.3
175.09679	2.0
177.11229	20.8
181.43343	0.6
206.69839	0.8
211.24152	1.0
221.13841	4.0
239.14790	0.8
255.26863	1.9
283.17578	1.5
299.29376	5.6
327.19971	1.1
343.32043	3.3
415.25342	0.8
459.28076	2.1
487.69794	0.8
662.80096	0.8
669.51202	3.4
686.45764	4.2
687.48114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.1
53.03937	0.2
55.00806	0.2
55.01868	0.2
55.05508	0.2
65.03943	0.3
67.05515	0.4
68.99800	0.2
69.03438	0.8
69.07085	0.4
70.06591	0.6
70.10560	0.1
71.04990	0.2
71.59863	0.2
72.08156	0.2
73.02901	0.1
74.06080	1.0
79.05491	1.0
81.03431	0.6
81.07057	0.8
83.05006	0.2
85.02904	0.9
91.05482	1.2
93.03405	0.4
93.06509	0.1
93.07029	0.8
95.04972	0.4
95.08619	0.4
97.02891	0.5
97.06531	0.4
99.04461	0.2
103.05501	0.3
105.07039	0.7
106.04150	1.1
106.07347	0.2
107.05005	0.8
107.08600	0.5
109.02894	0.3
109.06511	0.4
109.10168	0.5
111.00822	0.2
119.04942	0.6
119.08598	0.3
120.03703	0.1
121.02879	0.5
121.06503	1.3
121.10189	0.3
124.03992	0.2
125.06001	0.4
125.09671	0.2
127.03938	0.5
131.04944	0.3
131.08607	0.3
133.06476	0.4
133.10141	0.4
134.03610	0.2
135.04398	0.8
136.07578	0.2
137.02356	0.3
137.05997	0.9
137.09645	0.1
145.02899	0.2
145.04962	0.3
145.10150	0.2
147.04419	1.9
147.11687	0.2
148.04782	0.6
149.05992	2.4
149.09625	0.3
150.06369	0.3
151.03906	0.6
153.01833	1.2
153.05495	0.3
153.09129	0.3
161.05945	0.2
163.03986	0.3
163.07605	0.3
163.11250	0.2
165.09068	0.3
167.07060	2.0
171.02907	0.4
175.03960	0.5
177.05498	1.3
178.02643	0.3
179.07010	0.2
181.05002	0.9
181.08627	0.6
182.08917	0.2
190.06221	0.2
191.07054	0.2
193.08612	0.9
194.08971	0.5
195.06589	0.3
205.04836	0.3
205.08615	0.2
207.06543	0.8
209.08081	1.5
209.09845	0.2
210.08398	0.7
221.08029	0.2
223.04196	0.2
224.04584	0.2
241.04887	0.2
242.05692	1.6
258.05237	1.5
269.04733	0.2
270.05246	7.3
271.05594	0.2
273.03986	0.8
286.04691	1.2
287.05542	2.9
287.08664	0.1
298.04724	0.2
299.05511	0.6
301.03464	1.7
301.06808	0.3
302.04288	2.2
313.03445	0.6
314.07568	0.2
315.05002	30.2
316.05716	3.8
331.08127	100.0
332.08530	2.2
339.10812	0.2
377.25061	0.2
453.11414	0.2
479.13483	0.3
493.12689	0.2
506.33615	0.3
507.12781	0.2
524.34558	0.3
525.13947	1.1
525.34790	0.3
591.13550	0.2
669.18213	0.2
686.40424	0.3
687.18420	1.4
687.37231	1.0
687.47131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
67.05511	5.4
69.07067	1.3
79.05504	2.1
79.86652	0.5
81.07060	6.5
83.08606	1.1
91.05492	3.1
92.25146	0.7
93.07036	3.1
95.08617	2.9
101.53209	0.6
105.07032	1.7
107.08614	1.8
109.06528	0.7
109.10166	1.4
117.07053	0.8
119.08585	0.9
121.10172	1.9
123.30360	0.6
131.08548	0.7
135.11722	1.0
135.49724	0.6
141.09050	0.7
145.10162	0.7
292.02414	0.7
335.21936	8.0
335.25745	0.8
348.83780	0.7
375.25165	1.4
391.24615	4.7
687.48071	100.0
688.48425	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	688.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.93745	0.8
55.01871	5.8
55.05511	11.0
57.03437	8.7
57.07077	1.5
59.05000	0.9
61.02928	1.6
65.03951	1.1
67.05506	12.7
69.03422	2.5
69.07071	5.3
70.06608	1.2
71.04996	2.9
71.13208	1.9
73.02923	1.3
75.34621	0.7
79.05502	20.6
81.03423	7.0
81.06625	1.5
81.07063	15.7
83.01347	6.2
83.04987	9.6
83.08617	8.4
85.02907	2.0
91.05488	8.9
93.07048	31.2
95.04978	7.5
95.08611	23.6
97.02912	4.1
97.06517	4.3
97.10191	2.2
99.04484	4.4
105.07034	8.5
107.04957	7.2
107.08598	18.4
109.06504	4.6
109.10161	3.3
111.04472	2.3
111.08089	1.4
117.07004	8.5
119.07754	1.3
119.08574	9.6
121.06503	5.5
121.10139	9.7
123.04397	1.3
123.08092	4.7
125.06019	1.9
125.09612	1.1
129.07025	1.3
130.07816	1.8
131.08591	1.8
133.10129	3.8
135.08049	2.6
135.11703	31.7
137.09625	1.6
139.07568	1.7
143.08574	1.3
145.09015	1.5
145.10130	23.8
147.08063	1.7
149.09636	0.9
153.12779	1.8
155.08588	0.8
163.11194	47.4
164.11569	0.8
172.36674	0.9
173.09636	2.7
177.05513	1.9
181.12239	7.3
191.10704	1.9
209.11674	3.9
227.10503	1.4
227.12791	41.0
283.15411	100.0
284.15723	1.6
331.08224	1.7
413.99258	1.1
491.26428	75.8
492.26660	2.7
688.38446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01857	1.2
55.05516	14.9
55.42975	1.0
57.03441	11.0
57.07076	4.2
58.47870	1.0
59.04997	3.7
61.02932	5.3
65.03952	1.8
67.05507	100.0
69.03435	1.6
69.07075	15.8
70.98975	1.9
71.04981	3.4
71.08628	2.5
73.02914	1.3
73.06559	1.0
76.74928	1.0
79.05080	1.7
79.05491	10.7
81.03401	2.1
81.07059	43.2
83.04972	1.6
83.08624	14.0
85.02901	5.2
85.06544	3.2
89.06039	1.7
91.03967	1.5
91.05499	11.5
93.07047	15.4
93.10973	1.0
95.04955	1.0
95.08611	32.3
97.02893	2.2
97.06549	3.1
97.10171	6.1
99.08129	1.7
105.07043	5.9
107.08610	6.1
109.02857	1.5
109.10161	80.8
110.10518	1.1
111.08079	4.0
119.08578	8.7
121.10143	4.4
123.11723	5.5
125.09621	1.6
131.08629	1.2
133.10121	5.1
135.11723	2.5
137.09628	3.5
147.11676	2.2
149.13205	1.2
155.10687	5.3
161.13216	1.9
173.11745	18.7
175.14864	2.1
184.07422	1.7
227.12669	1.2
229.14362	90.3
241.06081	1.0
245.22682	2.5
263.23581	5.0
319.53708	1.1
319.88794	1.0
337.27383	75.0
338.27905	1.3
491.37332	70.7
492.37576	2.0
509.38058	1.2
552.52240	1.2
688.46802	1.4
699.09583	1.1
707.44330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
53.93883	0.9
55.05507	13.7
55.85520	0.8
57.03442	11.1
57.07064	2.8
59.04997	3.3
61.02922	3.7
62.10847	1.0
65.03920	1.6
67.05508	79.5
69.03426	1.7
69.07074	12.5
71.04984	2.2
71.08627	1.6
71.29916	1.8
73.02907	1.0
74.09708	0.9
78.81493	0.8
79.05508	8.2
81.07062	34.5
83.04985	1.3
83.08611	11.0
85.02904	2.9
85.06550	3.6
85.10162	0.9
89.06019	2.2
91.03970	1.6
91.05484	8.4
93.07053	10.7
93.22099	0.9
95.04960	0.9
95.08613	24.1
95.72462	0.9
97.02884	1.1
97.06538	1.3
97.10183	4.2
99.08126	1.2
105.07047	4.4
107.08607	5.9
109.06575	1.1
109.10161	64.1
110.10499	0.9
111.08076	3.3
111.47147	0.9
119.08580	7.5
121.10149	3.3
123.11713	3.6
125.09630	1.1
131.08543	1.4
133.10130	3.2
135.11700	1.2
135.40906	1.0
137.09616	3.0
137.13232	1.6
147.11685	2.2
149.13223	1.3
155.10646	4.1
161.13324	1.9
163.14784	1.1
173.11743	18.0
175.14832	2.1
184.07333	1.5
213.25575	0.9
214.15585	0.9
219.60968	1.0
227.12770	1.6
229.14366	100.0
230.14700	1.3
245.22664	3.5
263.23834	4.4
337.27380	68.5
338.27655	2.2
370.05402	0.8
395.71640	0.9
397.77841	0.8
491.37335	52.4
492.37402	1.2
509.38321	1.0
688.48273	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	689.208
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
53.03934	0.3
55.01845	0.3
57.03421	0.2
61.02899	0.4
68.99748	0.2
69.03402	0.7
70.06578	0.2
70.84798	0.3
79.05451	0.2
81.03392	0.4
85.02914	1.8
86.09647	0.2
91.05456	0.5
97.02921	0.8
97.94228	0.1
103.05413	0.2
106.62466	0.2
109.02858	0.3
118.47497	0.1
119.04909	0.6
127.03888	0.4
131.04927	0.3
137.05949	0.7
145.02879	0.3
145.04939	0.3
147.04378	0.6
149.06009	0.2
151.03838	0.4
151.07483	0.2
153.00568	0.2
153.01826	2.9
154.02592	0.2
161.05969	0.3
162.13394	0.2
177.05414	0.4
178.02594	0.3
179.07115	0.8
181.05009	0.4
194.31015	0.2
204.32500	0.2
207.06494	0.2
209.26262	0.2
213.05473	0.5
214.06122	0.2
229.04942	0.2
241.04987	1.4
242.05739	2.2
243.06506	0.3
257.04602	0.2
258.05261	2.4
269.04431	0.6
270.05249	11.7
271.05875	0.4
273.03940	1.5
273.07202	0.3
285.03900	0.4
286.04779	2.0
287.05521	4.7
288.06125	0.2
298.04630	0.3
299.05499	0.9
301.03506	2.5
301.07025	0.5
302.04224	3.1
313.03598	1.1
314.07700	0.2
315.04999	42.0
316.05750	5.9
329.06635	3.7
331.08130	100.0
332.08423	1.5
459.10965	0.3
488.17184	0.2
527.15533	28.9
528.16132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.208
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12936	0.1
69.22462	1.1
70.06545	0.1
76.47885	0.1
79.31992	0.1
85.02863	0.2
87.99924	0.1
91.05437	0.3
104.10712	0.1
105.06955	0.1
105.57617	0.1
109.02832	0.1
119.04927	0.4
124.03880	0.2
137.02335	0.1
137.05983	0.2
144.22566	0.1
147.04410	0.3
153.01823	0.7
154.02600	0.1
166.02589	0.1
167.07069	0.1
175.03694	0.1
177.05396	0.2
178.02599	0.6
179.07018	0.4
181.04962	0.2
190.82245	0.1
207.06534	0.1
213.05386	0.2
241.04906	0.3
242.05733	2.1
243.06566	0.1
249.11301	0.3
253.04982	0.1
255.02792	0.2
257.04584	0.1
258.05200	1.9
268.08148	0.1
269.04559	0.3
270.05243	10.7
271.05814	0.3
273.03937	1.4
285.03751	0.1
286.04709	1.5
287.05478	4.9
288.06201	0.2
298.04654	0.2
299.05493	0.8
301.03418	2.0
302.04190	2.8
313.03491	1.2
315.04987	41.7
316.05728	5.6
316.09579	0.1
329.06491	0.4
330.07373	0.1
331.08112	100.0
332.08493	1.8
453.84311	0.1
527.15497	33.6
528.15741	1.0
689.20184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2079
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
70.89919	0.2
81.03371	0.1
81.07044	0.1
87.99226	0.1
91.05464	0.1
92.10961	0.1
95.08574	0.1
108.02128	0.1
119.04887	0.1
127.03975	0.1
131.99448	0.1
136.01549	0.1
147.04393	0.2
151.03868	0.1
153.01837	0.8
154.02577	0.3
163.03838	0.1
178.02626	0.4
179.06975	0.3
180.73889	0.1
213.05544	0.2
241.05078	0.1
242.05736	1.9
253.05066	0.2
255.02887	0.2
258.05215	2.0
269.04483	0.3
270.05240	9.0
271.05771	0.2
273.03937	1.0
285.04147	0.1
286.04758	1.7
287.05499	4.0
288.06216	0.1
298.04721	0.3
299.05463	0.7
301.03439	2.0
302.04205	2.6
311.82819	0.1
313.03476	1.0
315.04990	36.7
316.05725	5.0
317.06015	0.2
329.06592	0.3
331.08118	100.0
332.08453	1.8
493.12988	0.2
527.15521	17.7
528.15912	0.4
689.20905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03836	0.2
55.01844	0.1
55.38512	0.1
57.03414	0.1
60.46383	0.1
61.02911	0.3
63.88752	0.1
69.03389	0.7
70.06563	0.2
71.60278	0.2
72.08122	0.2
79.05448	0.2
81.03353	0.3
85.02903	1.4
86.09703	0.2
91.05439	0.6
97.02848	0.7
109.02876	0.2
119.04901	0.6
121.10028	0.1
127.03847	0.5
133.06464	0.2
137.06001	0.4
145.04898	0.2
147.04381	0.4
149.05981	0.2
151.03851	0.2
151.07481	0.2
153.01837	2.2
162.06818	0.2
163.03862	0.2
163.07570	0.2
167.06950	0.2
177.05415	0.2
178.02522	0.6
179.07034	0.5
213.05447	0.6
241.05060	0.8
242.05734	2.4
253.05188	0.2
258.05252	2.3
269.04410	0.4
270.05231	9.0
271.05911	0.3
273.03903	1.5
273.06876	0.2
285.03830	0.3
286.04715	1.7
287.05496	3.6
299.05496	0.7
301.03455	1.9
301.06659	0.3
302.04196	2.5
313.03467	0.8
315.04990	38.9
316.01993	0.3
316.05728	5.2
329.06567	2.9
330.06982	0.2
331.08124	100.0
332.08429	1.7
459.10535	0.2
506.08914	0.2
508.14435	0.2
527.15521	15.4
528.15997	0.2
647.31903	0.2
689.21027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
55.05500	0.3
56.96543	0.2
67.05505	0.5
69.03420	0.6
69.07043	0.5
70.06564	0.6
71.59856	0.2
72.08141	0.2
74.06065	0.2
76.91729	0.2
79.05458	0.4
81.03400	0.5
81.07040	0.5
84.08147	0.3
85.02890	0.8
89.03922	0.2
91.05463	0.6
93.07052	0.5
95.04955	0.5
95.08604	0.4
97.02876	0.4
97.06525	0.4
100.24777	0.2
105.07016	0.5
107.04963	0.5
107.08573	0.5
109.02871	0.5
109.06487	0.3
109.10161	0.4
111.04437	0.3
117.03382	0.5
117.07043	0.3
119.04930	0.7
119.08591	0.5
120.08153	0.2
121.02853	0.4
121.10133	0.5
123.11708	0.3
127.03944	0.4
136.07652	0.2
137.05962	0.9
137.09645	0.3
145.02812	0.7
147.04422	0.8
149.13170	0.2
151.03880	0.6
152.04192	0.3
153.01797	0.6
154.02608	0.3
160.07637	0.2
163.03865	0.2
165.09131	0.3
167.07056	0.7
175.03932	0.7
175.07506	0.2
177.05455	1.0
178.02495	0.5
179.06960	0.3
181.04968	0.7
191.07021	0.4
207.06517	0.9
242.05731	1.5
258.05191	1.8
269.04614	0.3
270.05234	8.0
273.04007	1.2
286.04785	1.2
287.05496	3.7
299.05457	0.7
301.03436	1.7
301.06506	0.4
302.04242	2.2
313.03531	0.9
315.04996	36.3
316.05746	4.2
317.05399	0.3
329.06699	0.5
331.08130	100.0
332.08603	1.6
385.76538	0.2
473.29285	0.3
493.13834	0.3
493.28333	0.2
509.30606	0.2
527.15564	18.1
528.15851	0.3
689.20294	0.5
689.38196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93666	0.2
53.03952	0.2
55.62232	0.2
57.03433	0.2
65.03939	0.2
65.35232	0.1
69.03429	1.3
70.03489	0.8
70.06605	0.4
71.05010	0.2
73.02921	0.3
81.03405	0.7
85.02903	1.7
87.04482	0.3
91.05486	2.1
97.02920	1.0
98.20723	0.2
99.04470	0.3
103.05482	0.2
105.03404	0.4
105.07040	0.4
106.72295	0.2
107.08585	0.3
108.02047	0.2
109.02895	0.4
109.06509	0.3
109.10173	0.2
115.05470	0.3
117.03251	0.2
119.04944	3.7
121.02911	0.2
121.06519	0.4
124.05235	0.3
127.03975	0.4
132.02098	0.2
133.02809	0.2
133.06497	0.4
136.01576	0.2
137.05978	2.1
145.04977	0.2
145.06389	0.1
147.04410	3.7
149.06007	0.9
151.03906	0.8
151.07539	1.7
153.01828	8.5
161.05998	1.0
162.06792	1.3
165.05534	0.3
167.07030	0.2
167.08598	0.2
169.04889	0.2
175.03928	1.0
177.05418	0.2
178.02600	0.6
179.07034	4.6
180.07802	0.8
184.07574	0.3
187.03806	0.3
202.06216	0.2
203.03355	0.2
207.06546	1.9
213.05479	2.4
214.06125	0.2
227.08163	1.0
229.04955	0.5
230.05663	0.3
241.04958	6.2
242.05719	2.6
243.02884	0.2
243.06430	0.4
253.04942	0.2
255.06540	0.6
258.05243	3.5
269.04446	1.4
270.05231	11.3
271.05783	0.4
273.03979	2.0
273.07370	1.3
285.03915	0.5
286.04733	3.6
286.07742	0.2
287.05505	4.4
298.04630	0.4
299.05396	1.2
301.03421	2.6
301.07086	2.0
302.04214	3.2
311.05441	0.4
313.03543	1.2
314.04126	0.6
315.04984	47.0
316.05743	5.5
321.12357	0.3
327.08533	0.3
328.05817	0.2
329.06561	52.1
330.07059	1.4
331.08112	100.0
332.08447	1.5
373.09161	0.8
459.10593	1.4
479.13525	0.7
491.13364	0.8
527.15179	0.8
625.14313	0.2
656.86688	0.2
689.36816	0.8
689.49023	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	689.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
55.77370	0.3
61.02927	0.4
65.03941	0.4
65.44012	0.3
67.05504	0.7
69.03426	0.9
69.07068	0.6
69.95533	1.6
70.06585	0.5
79.05539	0.5
81.03429	0.9
81.07051	0.9
83.08627	0.3
85.02901	2.2
85.06503	0.3
91.05466	1.9
93.07052	0.9
95.04990	0.4
95.08641	0.9
97.02914	0.8
97.06557	0.7
99.04461	0.4
102.64620	0.3
103.03913	0.4
105.07077	1.0
107.04959	0.5
107.08603	0.7
107.38171	0.3
109.02892	0.6
109.06530	0.4
109.10169	0.7
111.04418	0.4
117.03395	0.5
119.04958	2.1
119.08563	0.4
120.08196	0.3
121.02896	0.7
121.06478	0.4
121.10191	0.5
123.08070	0.3
127.03944	0.9
129.07059	0.4
131.04979	0.6
131.08566	0.5
133.10106	0.5
135.04413	0.5
135.08070	0.4
135.11656	0.5
137.05994	1.2
145.02896	1.7
145.10129	0.5
146.05963	0.4
147.04428	2.5
147.11661	0.4
149.06023	0.9
149.09648	0.4
151.03894	0.6
151.07568	1.0
153.01817	4.1
159.11746	0.3
160.07607	1.0
161.05983	0.4
162.06763	0.5
163.03915	0.8
163.07579	1.2
165.09181	0.5
167.07130	0.6
173.62660	0.4
175.03931	0.5
176.63773	0.3
177.05489	2.6
178.02629	0.7
178.05862	0.5
179.07082	1.4
181.04974	0.6
207.06552	1.5
209.08080	0.4
213.05510	1.3
229.04939	0.5
241.04979	2.8
242.05743	2.7
258.05243	2.6
258.07632	0.5
269.04553	0.7
270.05240	10.6
271.05768	0.4
273.03922	1.6
273.07288	0.6
286.04742	2.7
287.05499	4.8
299.05518	1.2
301.03433	2.6
301.07077	0.9
302.04227	3.5
309.07394	0.3
313.03528	1.2
315.05008	41.0
316.05737	4.6
329.06552	11.0
331.08133	100.0
332.08423	1.6
385.93735	0.3
459.10873	0.6
479.13400	0.8
509.14218	0.7
509.29941	0.5
527.15521	13.7
688.35187	0.6
689.37653	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	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01864	4.5
55.05301	1.3
55.05516	16.1
57.03442	9.8
61.02910	4.2
63.02514	1.2
67.05509	25.2
69.03418	5.3
69.07079	8.7
69.29587	13.0
71.04989	4.3
73.02901	3.0
79.05506	28.0
81.02972	2.2
81.03423	38.3
81.07063	25.0
83.04984	11.5
83.08617	17.0
85.02909	18.5
91.05483	26.1
93.07056	36.2
95.04977	18.5
95.08610	32.2
97.02898	7.3
97.06523	6.4
97.10194	3.0
99.04436	2.5
99.08086	1.8
104.35522	1.3
105.07037	20.5
107.04962	10.1
107.08605	23.1
109.06519	2.8
109.10136	8.0
111.04432	4.4
111.08070	5.4
113.06003	3.3
115.05386	1.5
116.84230	1.2
117.07038	9.1
119.04924	1.6
119.08590	17.2
121.06509	4.7
121.10151	17.6
123.08091	2.2
123.11700	1.6
125.05981	2.6
125.09576	2.2
129.06984	6.1
131.08565	6.5
133.06465	2.4
133.10138	7.9
135.08000	1.7
135.11702	35.0
137.09575	2.1
145.10146	22.1
147.04407	2.3
147.06819	2.2
147.08038	1.9
147.11700	9.5
149.09636	4.0
157.10129	9.8
163.11203	44.5
165.12787	2.1
175.11223	9.5
177.05496	1.9
181.12218	8.7
191.10571	1.4
193.12236	26.6
207.06433	2.0
209.11612	2.1
211.13298	33.8
227.12801	53.7
267.15952	27.9
279.05676	1.8
283.15436	56.1
285.16989	53.6
300.12289	4.3
331.08099	2.1
475.26978	28.1
476.27457	2.0
481.46893	1.5
493.27988	100.0
494.28397	1.8
549.46771	1.5
690.32629	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01881	8.3
55.05511	15.6
57.03442	10.4
57.07070	1.6
59.05007	1.8
61.02924	4.5
63.41998	1.5
67.05509	21.9
69.03439	5.7
69.07059	6.7
69.42567	3.4
69.42972	8.0
71.04979	6.3
73.02911	2.1
79.05495	25.0
81.03422	46.2
81.07064	26.9
83.01355	4.8
83.04986	15.9
83.08620	20.3
84.21852	1.2
85.02911	21.2
85.06560	2.1
91.03939	2.1
91.05485	28.8
93.07053	24.4
95.04979	19.8
95.08602	11.1
97.02895	6.2
97.06535	5.8
97.10184	3.3
98.21455	2.3
99.04462	2.3
99.08086	1.5
103.05489	1.7
105.07034	21.7
106.03709	1.3
107.04968	6.0
107.08588	12.2
109.06536	6.7
109.10168	4.8
111.04430	3.2
111.08064	6.1
113.06010	1.8
115.05409	2.7
117.07032	5.3
119.04984	1.7
119.08578	18.9
121.06490	3.1
121.10148	13.5
123.08081	8.5
125.09644	3.2
127.03941	2.1
129.07024	8.3
131.04903	1.9
131.08597	8.7
133.06522	3.6
133.10133	8.0
135.08054	2.4
135.11711	7.5
137.09586	1.8
145.02843	1.5
145.10126	12.5
147.08047	3.0
147.11693	8.8
149.09631	4.1
153.12747	1.9
155.08374	1.5
157.10130	11.3
163.11201	17.7
165.09103	1.5
171.11749	1.7
173.09624	2.9
175.11131	9.8
181.12247	2.9
191.10677	2.4
193.12239	31.3
207.06645	1.4
209.11754	4.6
211.13303	45.7
227.12845	4.3
249.14890	1.6
267.15936	11.9
283.15411	54.0
284.15881	1.5
285.16983	37.7
331.08188	1.4
357.39447	1.3
383.22095	3.1
392.26572	1.5
401.23334	1.4
402.41074	1.5
457.25702	4.5
475.26825	14.3
483.81885	1.3
493.28000	100.0
586.28845	1.8
642.26691	1.7
666.84296	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	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01873	0.4
55.05500	1.3
57.03426	1.4
61.02926	5.8
67.05160	0.6
67.05503	8.0
69.03425	2.7
69.07066	0.9
70.16695	0.9
70.17094	0.8
71.01350	0.5
71.05007	0.9
73.02918	3.8
79.05505	2.4
81.03414	1.7
81.07057	4.1
83.04950	0.4
85.02908	5.0
87.04434	0.5
91.03944	3.2
91.05459	1.8
93.07041	3.4
95.04940	0.6
95.08602	2.2
97.02890	4.7
98.47131	0.5
99.04449	1.2
101.02392	1.6
103.03925	0.6
105.07047	0.9
107.08591	1.9
109.02900	1.0
109.10153	5.4
111.53962	0.4
115.03955	0.5
119.08588	1.5
121.10171	1.5
127.03931	1.6
131.08559	0.7
133.10153	0.7
135.11713	1.0
142.29228	0.4
145.04991	0.5
145.10117	0.8
147.11673	0.5
149.13274	0.5
155.10706	0.7
156.47583	0.4
173.11821	0.6
173.13181	0.4
185.04135	0.5
195.09956	0.7
243.08492	1.3
321.78101	0.4
335.26001	0.5
413.17679	4.6
413.22174	0.4
421.29675	0.4
519.29291	9.0
691.40247	100.0
692.40619	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26770	0.4
53.03930	0.5
54.28765	0.4
55.05497	1.2
57.03436	1.9
61.02925	4.5
66.94335	0.3
67.05499	9.4
69.03427	3.1
69.07072	0.9
69.42417	2.6
69.42822	0.5
71.05002	0.9
73.02917	3.9
79.05504	2.6
81.03417	1.5
81.07062	3.9
83.04997	0.5
83.08613	0.8
85.02908	4.7
85.62255	0.3
86.53812	0.4
91.03954	2.7
91.05470	1.7
93.07046	1.7
95.05025	0.4
95.08617	2.5
97.02887	3.7
97.06516	0.5
97.10238	0.4
98.20718	0.5
99.04466	0.8
101.02381	1.3
105.07043	1.0
107.08584	1.4
109.02876	0.8
109.10155	7.2
111.08085	0.4
115.03941	0.6
119.08562	1.0
121.10155	0.9
127.03931	1.1
128.06168	0.4
135.11699	0.4
135.20406	0.4
145.05028	0.4
151.53690	0.4
155.10680	1.0
159.11688	0.4
173.11748	1.4
195.10043	0.5
203.05426	0.6
229.14449	0.8
243.08537	1.4
261.21982	0.5
363.18378	0.4
413.17825	9.7
413.23087	0.7
455.23264	0.4
519.29230	5.6
519.36078	0.6
691.40265	100.0
692.40527	5.9
692.51331	0.5
715.04608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01863	4.1
55.05508	17.0
57.03440	15.9
61.02912	4.3
62.02199	1.1
62.23741	1.1
67.05505	26.3
69.03433	8.1
69.07057	9.5
71.04987	7.1
71.59699	1.4
79.05496	29.9
79.66647	1.0
81.03419	78.1
81.07058	35.6
83.04533	2.2
83.04985	19.7
83.08619	28.7
85.02908	29.9
85.06535	2.6
86.29524	1.2
87.04482	1.3
91.03950	3.1
91.05482	42.9
93.07050	21.3
95.04974	33.1
95.08603	12.2
97.02890	6.0
97.06516	5.2
97.10159	3.3
99.04452	1.3
99.08079	1.3
105.07030	31.0
107.04958	7.0
107.08594	10.5
109.02858	1.9
109.06522	5.5
109.10163	3.8
111.04427	3.3
111.08085	12.7
113.05997	2.1
115.05442	2.9
117.07024	2.3
119.04944	2.6
119.08591	21.2
121.06499	3.0
121.10150	11.8
123.08040	2.9
123.11721	4.3
125.09657	3.5
127.03881	1.8
129.07002	15.1
131.08571	18.9
133.06522	3.2
133.10127	15.8
135.11668	2.0
141.07112	1.3
142.07816	3.0
143.08604	1.3
145.04968	1.8
145.10078	3.2
147.04410	2.7
147.08032	4.5
147.11699	18.8
149.09596	6.1
157.10123	17.4
165.12740	4.8
175.11163	19.3
177.05583	2.1
181.48015	1.4
193.10808	1.4
193.12244	58.3
211.13300	100.0
212.13597	1.9
214.21536	1.3
249.14990	2.2
267.15906	41.0
285.16974	89.8
286.17480	1.7
314.77905	1.3
367.22742	4.7
385.23718	5.2
403.24820	1.6
433.25897	1.5
459.27420	25.2
477.28473	26.7
495.29517	75.2
496.29947	2.2
555.50079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
55.05523	1.9
57.03446	2.2
61.02937	4.0
66.60376	0.8
67.05516	3.6
69.03442	2.8
69.07069	2.4
69.82548	0.8
71.04997	1.6
73.02932	2.6
79.03645	0.8
79.05511	3.7
81.03444	3.7
81.07082	3.5
82.07435	0.8
83.04995	1.4
84.60606	0.9
85.02895	5.2
91.03985	2.4
91.05519	4.0
93.07046	4.8
95.05006	2.8
95.08645	3.9
97.02924	3.3
97.06561	1.3
99.04475	1.8
101.02404	1.8
105.07064	2.0
107.04964	1.9
107.08589	5.3
109.02939	1.5
109.10171	1.7
115.05458	1.3
117.07074	1.7
119.08642	2.8
121.10176	1.9
125.09628	0.9
129.07048	1.0
131.08609	1.5
133.10133	1.4
135.11667	4.5
143.08627	1.0
145.02913	1.1
145.10083	4.2
147.04414	4.6
161.45497	1.2
163.11189	5.5
167.07109	1.8
169.62126	0.9
177.05527	1.1
207.06549	1.1
227.12881	3.3
243.08569	1.8
249.11023	7.1
267.16046	1.5
268.16522	0.9
280.02686	0.9
305.13535	1.6
467.18863	16.7
515.18225	1.1
581.90833	0.9
603.23621	1.6
693.31140	100.0
694.32214	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	693.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01879	0.7
55.05511	2.3
57.03449	1.7
57.07087	0.9
59.02140	0.4
61.02928	4.7
67.05507	11.2
69.03429	2.4
69.07074	1.9
69.32539	1.3
69.32953	3.2
71.04999	0.7
71.08588	0.6
73.02922	4.2
74.98099	0.5
79.05498	1.7
81.03410	1.6
81.07066	5.3
83.04995	1.1
83.08630	1.6
85.02909	5.4
88.40161	0.5
91.03954	3.0
91.05494	1.6
93.07056	1.9
95.08611	3.7
97.02891	4.5
97.10168	0.7
99.04470	1.2
101.02389	2.0
103.03954	0.5
105.07052	1.1
107.08590	2.0
109.02908	0.6
109.10151	7.6
119.08582	1.8
121.10165	1.0
123.11736	0.6
127.03959	1.4
133.10130	1.0
151.95157	0.5
152.05696	1.3
173.11777	1.6
185.04176	0.6
229.14397	1.4
243.08458	2.0
316.49600	0.5
413.17853	9.3
503.42892	0.5
521.31036	4.1
675.83563	0.6
693.41858	100.0
694.42279	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	693.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01879	0.7
55.05516	1.6
57.03437	1.5
57.07085	0.4
59.04987	0.4
60.33919	0.4
61.02922	4.6
67.05507	9.5
69.03429	3.2
69.07063	2.3
71.05009	0.7
71.08633	0.7
73.02917	3.8
79.05509	2.1
81.03417	1.6
81.07063	6.2
83.04987	0.5
83.08617	1.9
85.02903	5.0
87.04465	0.6
91.03954	3.6
91.05489	2.1
93.07068	2.7
95.04990	0.6
95.08614	5.0
97.02905	5.1
97.10194	1.2
99.04440	1.2
101.02382	1.5
103.03948	0.5
105.07026	0.9
107.08630	1.3
109.02877	0.8
109.10156	5.6
115.03933	0.5
119.08564	1.2
121.10178	1.1
121.58975	0.4
123.11696	0.8
127.03957	1.4
130.50069	0.4
131.08577	0.5
133.10156	0.9
135.11722	0.7
147.11771	0.4
152.05702	2.1
161.13298	0.8
163.14929	0.5
173.11786	0.7
185.04196	0.5
194.57463	0.4
195.09973	1.4
199.54257	0.4
229.95032	0.4
243.08456	2.2
243.32445	0.4
289.48563	0.4
293.21191	1.0
294.21619	0.5
304.32928	0.4
333.49634	0.4
337.27414	0.5
413.17743	4.3
521.30969	8.3
521.38513	0.7
693.41852	100.0
694.42273	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	693.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03724	1.7
53.03956	10.6
55.01865	5.5
55.05513	30.5
57.03437	15.2
57.07072	5.0
65.03941	3.1
66.63587	1.9
67.05509	84.5
68.05828	1.8
69.03430	12.2
69.07072	25.9
71.05003	9.0
71.08591	1.9
71.60072	2.7
73.02903	3.4
79.05499	68.7
81.03423	21.1
81.07063	100.0
82.10834	1.9
83.04983	7.1
83.08621	15.9
85.02910	11.7
85.06554	4.8
91.05487	52.9
93.07050	74.2
95.04984	11.5
95.08611	75.6
96.08958	1.8
97.02910	10.6
97.06539	10.0
97.10164	5.1
99.04466	6.3
99.08105	6.5
103.03945	5.9
103.05436	3.3
105.07037	37.6
107.04928	5.2
107.08601	40.8
109.02904	8.2
109.06527	5.2
109.10172	23.1
111.04458	2.8
111.08073	4.5
117.05560	1.7
117.07070	10.1
119.08587	32.5
121.10160	33.9
123.08093	4.9
123.11705	5.4
127.03929	13.1
129.05539	2.1
129.07071	4.2
131.08571	20.2
133.10141	23.1
135.11707	21.5
137.09630	2.8
137.13260	4.2
143.08582	2.2
145.04958	3.2
145.10107	11.6
147.11661	10.1
149.13283	9.9
151.11311	2.0
151.14804	1.9
155.08592	2.0
159.06496	2.3
159.11667	9.6
161.13255	28.5
163.11182	3.5
163.14897	4.4
171.11716	2.6
173.08075	1.8
173.13271	5.9
175.14856	3.5
177.12816	2.2
179.14328	27.1
183.06499	6.0
183.11603	2.0
184.07430	1.9
185.13344	2.5
187.14850	5.2
199.36880	1.8
201.07576	3.6
233.42067	2.0
243.21118	5.1
253.18062	8.6
259.20731	2.1
261.22186	18.1
271.19055	35.2
272.37552	1.8
275.20203	2.0
291.19531	5.3
292.20132	3.2
335.25797	7.5
379.21176	3.2
405.26471	2.9
423.27792	2.5
531.40320	2.5
595.46674	2.1
693.40924	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85482	0.2
53.03962	0.5
55.01870	1.5
55.05500	0.3
56.96554	0.4
57.03437	0.7
58.99595	2.5
65.03943	0.5
67.05506	0.6
69.03436	0.5
70.06600	0.2
74.89253	0.2
76.02231	13.0
76.03997	0.4
78.04710	0.4
79.05495	5.3
81.03410	0.5
81.07043	0.8
83.04974	0.3
83.08593	0.3
84.04514	4.1
85.02932	0.6
86.99062	0.6
88.02208	0.4
91.05486	3.8
92.06267	0.3
93.07034	1.0
95.04974	1.3
95.08584	0.7
97.02905	0.4
97.06510	0.3
98.97633	0.2
103.05464	4.2
104.06236	0.5
105.03404	0.3
105.07035	23.0
107.04958	2.4
107.08582	0.8
109.02882	0.5
109.06519	1.0
109.10168	0.4
115.05476	1.5
116.01682	3.1
117.07022	0.8
118.04170	3.6
119.04942	0.8
119.08596	0.4
120.05733	0.8
121.06509	1.8
121.10175	0.3
122.03657	0.5
122.07318	1.3
123.08031	0.4
124.05215	0.5
127.03970	0.4
130.05006	2.3
131.04903	0.8
132.05702	1.2
133.06502	21.3
133.10077	0.6
134.07231	1.0
135.04427	1.3
135.08061	2.4
137.04211	1.0
137.05984	8.1
137.09641	0.5
142.03241	1.2
144.01149	1.7
147.02631	0.4
147.04419	0.7
148.05183	1.2
149.06017	0.8
150.01357	0.9
150.06767	8.2
150.39468	0.3
151.07544	0.4
158.07251	0.3
161.05948	1.0
162.00926	0.5
162.02197	5.8
163.03893	0.3
165.03703	1.8
165.09125	16.7
166.09564	0.3
167.07002	0.7
170.02740	0.4
175.07570	0.3
177.03313	0.6
177.05484	1.0
178.06210	1.3
179.04869	12.2
180.10178	0.3
187.05342	0.4
193.03380	1.9
193.08615	100.0
194.09053	1.4
203.06970	0.3
207.06641	0.3
209.10611	0.4
210.11269	0.7
218.09270	0.6
219.04770	0.3
225.05774	1.3
231.04231	0.3
233.05945	3.6
237.56781	0.2
245.05888	0.4
251.07256	0.5
267.15994	0.3
291.06464	0.6
308.09119	17.8
309.09238	0.3
322.12991	0.5
371.12747	4.0
425.13766	0.7
484.30746	0.3
500.17233	0.8
694.41693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01873	1.4
55.05515	1.6
57.31739	0.9
58.99580	1.2
61.02939	1.3
67.05490	2.8
69.03425	2.1
70.06582	2.1
70.31997	1.0
70.99504	1.6
70.99837	1.3
76.02227	13.0
78.63687	1.1
79.05493	8.0
81.03419	3.1
81.07047	4.1
83.04989	1.2
83.08569	1.5
84.04516	3.4
84.08138	1.4
85.02913	2.9
88.05017	1.0
91.05482	6.6
93.07055	3.6
95.04943	2.7
95.08613	2.8
97.02864	2.2
103.05464	3.3
105.07035	24.0
107.04945	3.3
107.08585	2.0
109.02901	2.1
109.06516	1.3
109.10161	1.8
115.05453	1.5
116.01678	2.4
117.07015	1.0
118.04134	2.3
119.04944	2.4
119.08596	2.4
120.05685	1.1
120.08091	1.0
121.02900	1.1
121.06525	1.8
123.08060	1.1
127.03911	2.4
130.05011	2.7
131.04973	1.3
133.06496	18.0
133.10124	1.8
135.04408	2.0
135.08047	2.7
135.11726	1.6
137.05977	8.6
144.01173	1.9
147.04404	3.2
147.11653	1.1
150.01431	1.0
150.06790	7.2
159.67065	1.1
162.02200	5.8
165.03734	1.7
165.09108	15.8
175.04012	1.1
177.05508	2.4
179.04842	9.8
193.03242	2.0
193.08614	100.0
207.06447	3.0
233.05981	3.7
251.07220	1.1
260.67322	1.0
267.09070	1.1
267.16043	1.1
308.09113	15.6
352.25839	1.3
371.12674	4.2
645.52832	1.4
677.22784	1.3
694.41846	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	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.3
55.01866	8.4
55.05510	42.0
57.03424	15.2
57.07069	7.5
57.57471	3.4
58.58780	3.1
67.05168	4.9
67.05509	95.0
68.05843	4.5
69.03432	4.9
69.06715	3.7
69.07066	47.0
70.93327	3.6
71.04980	9.9
71.60195	3.8
74.96486	3.7
79.05051	4.8
79.05498	76.3
81.03410	14.0
81.07059	100.0
81.67878	3.9
83.04991	16.7
83.08610	21.6
91.05481	71.6
93.07047	67.6
95.04964	21.4
95.08612	55.5
97.02883	8.2
97.06516	17.6
97.10185	16.7
105.07034	64.1
107.04942	10.3
107.08607	53.1
109.06496	8.7
109.10168	23.4
111.08080	6.6
115.05480	3.6
117.07026	30.6
119.08590	51.9
121.06531	7.7
121.10150	28.3
123.08078	13.1
123.11702	8.1
125.09679	6.2
129.07004	12.7
129.93355	5.4
131.08562	36.0
133.10118	37.2
134.57954	4.6
135.08044	7.3
135.11694	34.2
137.09593	5.2
139.07497	4.0
141.07004	6.4
143.08536	12.2
145.10110	32.5
147.08090	6.0
147.11642	18.5
149.09641	18.3
149.13258	13.7
155.08542	6.8
157.10117	11.1
159.11687	22.5
161.13263	10.0
163.11186	10.1
165.12779	6.5
169.10103	6.6
171.11732	8.8
173.11879	3.8
173.13246	14.8
175.11314	3.8
177.12785	7.8
179.14326	4.8
183.11784	4.3
184.07347	4.6
185.13190	8.5
187.14836	5.0
189.11157	8.1
195.13922	7.4
197.13394	4.6
209.13336	3.7
217.67242	3.3
217.97737	3.7
220.43286	3.2
221.15324	4.4
227.12737	12.2
229.19434	4.8
247.20697	5.7
255.15871	12.9
257.18979	9.6
262.13583	3.5
267.16119	4.8
269.17395	20.1
275.20062	47.0
277.21634	4.4
293.21249	4.6
349.23840	41.5
367.24948	4.5
375.25259	4.5
449.28897	18.3
463.24054	4.1
463.30551	16.0
529.34528	4.6
543.36646	15.9
623.43268	3.8
694.47455	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	695.325
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03939	0.6
55.01865	0.9
55.05503	1.5
57.03444	2.1
61.02924	4.8
63.50717	0.4
65.03934	0.5
67.05504	2.5
68.68815	0.4
69.03431	3.3
69.07064	0.8
69.45364	3.6
70.06584	0.5
71.01332	0.4
71.04988	0.8
73.02929	3.9
79.05495	2.9
81.03420	5.1
81.07053	3.7
83.04975	1.5
83.08617	1.7
85.02904	6.5
91.03951	2.6
91.05492	4.5
91.64109	0.4
93.07057	4.0
95.04960	2.3
95.08607	1.9
97.02905	4.1
97.06530	0.6
97.10175	0.6
99.04430	1.1
101.02390	1.3
104.10040	0.5
105.07041	2.7
107.04955	1.2
107.08608	1.5
109.02886	1.3
109.06503	0.4
109.10187	0.5
111.08090	1.1
115.03959	0.4
117.07043	0.6
119.04904	1.0
119.08595	2.5
121.06517	0.8
121.10162	1.2
122.10449	0.5
123.08117	0.6
125.09673	0.4
127.03897	2.5
129.05466	0.4
129.07019	1.1
131.08586	1.3
133.06546	0.6
133.10132	1.2
135.07996	0.5
135.11713	1.6
137.09616	0.5
145.02864	0.9
145.10126	1.5
147.04404	1.9
147.11670	1.1
149.09599	0.7
150.80714	0.4
157.10196	0.8
160.71246	0.4
163.03841	0.5
163.11151	1.9
173.09537	0.6
175.11176	0.7
177.05473	1.4
181.03383	0.5
185.04243	0.6
193.12282	1.5
211.13225	1.1
223.76703	0.6
240.13400	0.4
243.08347	2.1
249.10962	1.0
251.12570	0.6
267.16040	0.5
462.29535	1.2
467.18799	6.2
469.20538	6.5
586.60553	0.5
604.19812	0.5
649.41541	0.9
695.32428	100.0
696.32458	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	695.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05425	0.3
56.96426	6.1
56.96741	4.0
67.05391	0.4
69.03316	0.3
69.06963	0.3
71.35049	0.2
71.59553	0.3
71.95109	0.8
71.95535	0.5
72.95928	0.4
72.96282	0.3
74.97469	0.3
76.27240	0.2
79.05328	0.8
81.03278	0.3
81.06882	2.4
81.07423	0.8
84.95907	0.4
85.02759	0.4
85.03219	0.3
90.69627	0.3
91.05357	0.5
91.05857	0.2
93.06927	0.4
95.04818	0.4
95.08479	0.4
97.96670	0.7
97.97256	0.3
98.97400	0.9
98.97974	0.3
105.00010	0.2
105.06827	0.3
107.08446	0.3
109.02757	0.3
110.97385	1.7
115.97687	0.3
116.98504	0.2
119.04719	0.6
123.01041	0.3
123.04276	0.3
128.98404	1.5
137.02574	0.4
137.05917	0.3
139.00520	0.3
141.02034	0.3
142.99971	0.3
143.08514	0.2
145.02640	0.3
145.09924	0.3
146.99443	0.8
147.04198	1.0
150.94612	0.2
151.00525	0.3
153.02107	0.4
155.03647	0.5
157.01524	0.3
158.35640	0.2
158.58936	0.2
159.03119	0.4
161.04695	0.4
169.01596	0.6
169.05179	0.4
171.03088	0.9
171.31616	0.3
173.04709	0.4
177.05359	0.8
179.03561	0.3
181.05170	0.4
183.06671	0.3
184.03870	0.3
185.04898	1.4
187.06247	0.8
189.04149	0.7
195.02754	0.3
195.06718	1.0
197.04712	0.4
197.08517	0.3
198.01891	0.4
199.06427	2.8
201.07869	0.5
203.05852	1.3
205.07275	0.9
207.06519	0.8
209.04541	0.3
211.06383	1.1
213.07976	7.2
217.07462	2.5
219.03259	0.3
219.06766	0.4
221.08365	0.5
223.02585	0.6
223.06477	0.4
223.08232	0.5
223.10164	0.3
225.04297	0.4
225.07957	2.7
226.05000	0.3
227.05846	0.5
227.09402	0.4
229.07455	5.5
231.09030	6.7
233.08495	0.4
236.09508	0.4
237.04335	0.4
237.07953	1.5
239.09596	3.0
241.07274	0.4
241.11151	4.2
242.08069	0.6
243.09038	2.9
245.06923	0.4
247.08484	2.9
251.09549	5.7
252.09036	0.5
253.07387	0.3
253.11256	1.1
255.09045	7.2
257.10617	2.4
259.12180	3.9
261.07712	0.6
261.10141	0.4
267.08917	0.6
269.10605	26.8
270.10849	0.7
271.12192	0.5
273.10089	3.2
278.10318	0.3
279.08945	1.9
280.09763	1.6
287.11649	8.2
292.12173	1.6
297.10043	2.7
298.10889	1.1
307.15622	1.0
313.14706	0.9
315.11209	1.2
316.11929	0.5
319.15488	0.3
320.11191	0.2
331.15784	8.4
349.16852	15.2
367.17917	100.0
368.18332	2.3
372.18484	0.9
385.18985	11.7
390.20001	0.3
408.20563	4.9
409.21198	0.3
675.60193	0.3
677.40021	1.1
695.41193	9.3
696.41016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88958	0.8
53.03944	2.5
53.40115	0.9
54.92831	0.8
55.01860	1.1
55.05511	13.1
57.03435	5.0
57.07074	9.4
59.92869	0.7
61.02632	1.5
61.02926	23.0
65.03934	1.8
67.05504	60.9
69.03417	2.6
69.06707	1.3
69.07068	20.7
71.04975	1.7
71.08638	5.4
71.40244	1.2
73.02925	8.7
79.05494	16.9
81.03423	1.5
81.07056	77.4
83.04951	1.2
83.08132	1.0
83.08621	18.2
85.02905	32.0
85.06535	3.1
85.10166	2.7
91.03955	26.4
91.05479	13.9
93.07046	23.1
95.04961	1.6
95.08608	67.2
97.02889	14.1
97.06537	5.8
97.10172	11.1
97.38979	0.8
99.04444	1.3
99.08089	3.8
103.03921	0.9
105.07030	10.1
107.08594	15.6
109.02867	1.0
109.06521	1.3
109.10158	35.7
109.93343	0.9
111.08086	3.3
111.11712	3.8
113.09631	2.2
115.03955	1.3
117.07040	1.1
119.08591	10.9
121.10135	23.4
123.11714	19.2
125.09592	1.2
125.13297	1.0
127.03909	9.4
127.11201	2.1
131.08578	1.9
133.10133	16.8
135.11696	9.4
137.09595	1.5
137.13271	7.7
139.11200	1.8
141.12708	3.9
145.04970	14.6
147.11673	7.5
149.13271	11.4
151.11192	1.4
151.14821	6.4
153.12750	1.3
155.14307	3.6
159.11684	0.8
161.13252	15.0
163.06020	19.2
163.14839	9.0
165.12781	1.6
165.16399	9.1
167.14297	1.7
175.14842	11.2
177.16371	2.7
178.64781	0.9
179.14336	2.0
179.17960	7.2
181.15918	1.0
189.16345	4.8
193.15942	2.1
203.17960	1.4
209.64191	0.8
212.72456	0.8
217.19566	1.4
223.79797	0.8
245.22647	70.4
246.23004	1.5
247.24387	1.0
263.23703	100.0
264.24094	2.0
265.25320	2.4
275.86880	0.8
281.24762	2.4
337.27356	47.3
338.27606	1.3
355.28433	8.6
499.32883	1.4
525.04987	0.9
576.36859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43943	2.3
53.03943	7.9
55.01856	9.8
55.05516	41.1
57.03444	16.9
57.07069	3.6
63.01420	2.2
65.03941	3.7
67.05510	96.9
69.03422	4.3
69.07070	45.4
69.27920	2.3
71.04976	8.0
71.08620	11.4
77.03932	3.0
79.05050	4.6
79.05495	70.5
81.03409	9.6
81.07062	100.0
83.04987	15.5
83.08624	24.1
85.06554	6.1
91.04963	5.5
91.05488	74.5
93.07050	80.0
95.04984	22.0
95.08040	3.6
95.08616	53.1
97.06541	19.5
97.10168	13.2
98.21552	4.9
99.08099	14.8
105.07046	56.0
107.04976	9.7
107.08607	49.0
109.06496	10.1
109.10158	20.1
111.08090	9.5
117.07028	24.0
119.08578	33.3
121.06518	7.5
121.10149	25.8
123.08050	6.3
123.11681	7.3
125.09616	11.2
128.06252	4.7
129.07004	11.3
131.08582	20.8
133.10126	29.2
135.08070	5.1
135.11707	22.1
137.09515	2.9
137.13202	2.5
137.41289	2.5
141.06998	2.9
143.08560	6.7
145.10159	20.2
147.07991	3.9
147.11732	19.1
149.09636	11.0
149.13290	17.1
151.11188	15.5
155.08572	5.0
157.10135	10.1
159.11684	18.2
161.09641	4.7
161.13245	9.7
163.11172	12.1
165.12677	3.4
169.10161	5.3
171.11678	6.3
173.11911	3.1
173.13278	6.3
175.11063	4.5
175.14780	4.0
177.12671	4.4
179.14339	7.5
181.10062	2.8
181.12239	4.1
183.11688	3.8
185.13152	4.2
189.11176	5.7
189.12709	2.9
189.38858	2.6
195.11870	3.3
195.13808	9.5
223.13245	2.8
227.12750	12.8
231.21060	2.9
241.19580	3.3
255.15819	7.0
257.19019	7.3
267.15869	3.6
269.17429	28.8
275.20029	29.0
277.21600	19.1
293.21112	3.3
349.23703	14.2
351.25421	19.0
367.24661	3.6
449.28973	11.4
451.31830	3.3
463.30411	18.4
468.12454	2.8
525.35400	4.0
543.36969	13.1
545.38354	11.8
625.44421	3.8
696.41431	7.6
697.42578	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.46946	0.5
55.01842	0.5
55.05502	1.4
56.96572	0.7
57.03431	2.1
61.02928	3.6
65.03933	0.6
67.05502	3.1
69.03424	1.9
69.07068	1.3
69.30339	1.3
69.30746	5.0
73.02926	4.0
79.05508	3.6
81.03427	4.9
81.07053	3.8
83.04993	1.3
83.08625	1.7
85.02908	7.7
86.09693	0.7
87.04468	0.7
91.03957	2.0
91.05483	6.2
93.07044	2.6
95.04971	2.3
95.08598	1.9
97.02904	4.6
97.06528	1.2
98.20685	1.1
99.04461	1.2
101.02406	0.9
105.07062	3.3
107.04974	1.0
107.08611	1.8
109.02872	1.8
109.10165	1.0
111.08031	1.1
113.05998	0.8
115.03912	0.6
115.05477	0.6
115.44759	0.6
119.04958	1.4
119.08601	2.5
121.10180	1.3
125.06023	0.6
127.03908	2.0
129.05525	0.6
129.07016	2.2
131.08585	2.0
133.09178	0.5
133.10149	2.2
135.04401	0.6
135.11662	0.7
137.05997	1.1
145.06487	0.6
145.10139	0.9
147.04393	2.9
147.11732	1.8
149.09599	1.3
157.10115	1.1
166.31068	0.5
167.07103	1.4
168.00375	0.5
175.03973	0.7
175.11211	0.7
177.05499	1.6
181.05040	0.9
193.08594	0.7
193.12331	1.4
201.16376	0.6
206.08235	0.6
207.06560	1.3
236.15215	0.7
243.08504	1.7
251.12656	1.4
255.58804	0.6
307.15338	0.8
326.96249	0.7
469.20520	12.8
535.35175	1.0
641.23492	0.7
697.34009	100.0
698.34589	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	697.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86168	2.2
55.01886	2.7
55.05507	15.4
57.03437	10.9
58.27277	2.1
67.05507	43.9
69.07058	15.6
71.08594	2.5
71.17677	2.5
71.61298	5.6
77.99195	2.4
79.05492	27.7
81.07063	54.7
83.08614	9.2
91.05490	20.8
93.07057	26.2
95.04971	5.3
95.08602	28.9
97.06547	4.9
97.10178	5.2
103.05558	3.3
105.07032	26.8
107.08596	15.3
109.06488	2.9
109.10184	15.6
117.07050	6.8
119.08595	23.4
121.10160	12.1
123.11684	3.1
125.09623	2.3
131.08600	12.3
133.10162	8.3
135.08110	2.7
135.11708	7.9
143.08588	4.8
145.10138	10.9
147.11688	12.3
149.13295	6.8
157.10187	3.4
159.11708	7.5
161.13278	5.9
163.11186	3.4
165.12708	3.9
171.11699	4.9
173.13319	5.7
175.14853	3.6
185.13345	3.2
199.14835	3.8
201.16484	3.0
239.16432	5.5
296.40710	2.5
299.23828	3.1
308.03171	2.6
331.19092	4.2
333.20651	3.0
335.25803	15.3
387.21411	3.1
389.23126	4.1
425.34406	6.8
499.37988	10.1
517.38757	24.5
575.57074	2.6
606.47046	2.4
697.42816	100.0
698.42651	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	697.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86168	2.2
55.01886	2.7
55.05507	15.4
57.03437	10.9
58.27277	2.1
67.05507	43.9
69.07058	15.6
71.08594	2.5
71.17677	2.5
71.61298	5.6
77.99195	2.4
79.05492	27.7
81.07063	54.7
83.08614	9.2
91.05490	20.8
93.07057	26.2
95.04971	5.3
95.08602	28.9
97.06547	4.9
97.10178	5.2
103.05558	3.3
105.07032	26.8
107.08596	15.3
109.06488	2.9
109.10184	15.6
117.07050	6.8
119.08595	23.4
121.10160	12.1
123.11684	3.1
125.09623	2.3
131.08600	12.3
133.10162	8.3
135.08110	2.7
135.11708	7.9
143.08588	4.8
145.10138	10.9
147.11688	12.3
149.13295	6.8
157.10187	3.4
159.11708	7.5
161.13278	5.9
163.11186	3.4
165.12708	3.9
171.11699	4.9
173.13319	5.7
175.14853	3.6
185.13345	3.2
199.14835	3.8
201.16484	3.0
239.16432	5.5
296.40710	2.5
299.23828	3.1
308.03171	2.6
331.19092	4.2
333.20651	3.0
335.25803	15.3
387.21411	3.1
389.23126	4.1
425.34406	6.8
499.37988	10.1
517.38757	24.5
575.57074	2.6
606.47046	2.4
697.42816	100.0
698.42651	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	698.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05505	1.3
67.05493	2.3
69.03428	1.1
69.07069	3.0
70.06596	1.2
71.59981	0.6
72.08218	0.5
73.02925	1.1
77.76799	0.4
79.05499	1.3
81.03429	1.4
81.07047	3.7
83.05009	0.5
83.08618	0.4
85.02901	1.6
86.09697	0.4
91.05486	2.4
93.03400	0.7
93.07023	1.9
94.06568	1.0
95.04975	1.2
95.08589	2.1
97.02898	0.9
97.06512	0.5
99.04421	0.7
105.07069	1.2
106.04173	1.4
107.08586	1.2
108.08098	0.7
109.02899	0.8
109.06473	0.5
109.10162	1.1
117.03385	0.6
119.04939	0.8
119.08580	0.6
120.04433	0.7
120.08141	1.0
121.02982	0.4
121.06506	1.1
121.10123	0.7
122.06024	1.2
122.09645	0.7
122.84895	0.3
123.06770	0.5
127.03928	1.3
131.08566	0.6
133.06529	0.5
133.10231	0.5
134.05989	2.3
135.11693	0.6
135.89517	0.4
136.07533	0.7
137.05983	1.0
138.05508	0.5
139.46072	0.4
145.02812	0.5
147.04407	1.4
148.03951	1.4
148.07599	1.1
149.05984	2.1
149.08429	0.5
149.09648	0.5
150.05518	13.0
151.07620	0.5
152.07056	1.2
153.09094	0.5
163.03888	0.6
164.07053	2.2
165.07845	0.5
165.09059	0.5
166.05028	3.0
166.08655	0.6
167.07066	0.9
175.03941	0.6
176.07115	1.2
176.14333	3.7
177.05473	1.8
180.06549	1.8
181.04994	0.6
181.08647	1.2
188.07074	0.5
190.08694	0.5
192.06558	9.0
192.08333	0.6
192.10173	0.4
193.07314	5.2
193.08913	0.5
194.04468	0.8
194.08127	6.2
195.08932	0.5
196.09750	0.6
202.05034	2.6
206.08054	0.6
207.06638	1.1
208.06122	1.1
208.09737	1.2
209.08089	4.0
210.07608	2.1
216.10133	0.5
220.06122	1.8
220.09720	0.6
222.11337	0.5
232.09785	0.6
236.12849	0.9
238.07106	23.3
239.07675	0.7
248.12813	0.6
250.07074	2.2
252.08652	2.0
252.73296	0.4
260.12808	0.6
262.14389	0.4
264.08603	1.3
266.10327	0.4
278.10172	0.4
280.11633	0.8
292.11783	1.0
294.13354	1.0
304.19235	0.4
306.13538	0.7
331.08151	0.5
362.19498	0.7
364.21085	1.5
376.21436	0.7
400.28497	0.7
432.27283	3.0
444.27689	2.5
446.49304	0.5
456.34717	1.7
457.34213	0.5
500.33713	100.0
501.34097	3.5
518.34808	42.7
519.34698	1.8
536.35846	25.9
537.36139	1.5
680.39600	1.4
682.10059	0.5
698.42419	2.9
699.38354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	26.8
57.03429	6.8
57.07081	16.7
61.02640	1.8
61.02929	33.7
67.05167	2.7
67.05506	37.8
69.03432	4.3
69.06713	3.2
69.07075	54.0
69.10896	2.1
71.05005	5.3
71.08636	13.2
73.02917	11.3
79.05501	19.8
81.07059	50.5
83.08627	36.9
85.02415	2.3
85.02910	36.1
85.06546	3.3
85.10182	7.1
91.03401	2.0
91.03963	31.7
91.05486	2.7
93.07045	19.8
95.08609	52.0
96.04413	2.0
97.02892	17.1
97.06564	8.3
97.10167	26.4
98.08871	1.8
99.04438	3.4
99.08115	1.8
105.07010	2.6
107.08620	17.4
109.02801	1.9
109.10163	25.1
110.89391	1.8
111.08076	6.0
111.11700	7.4
115.03905	2.1
121.10155	47.7
123.11724	12.0
125.09622	3.1
127.03910	12.0
135.11696	38.8
137.13298	3.7
139.11255	4.3
142.89192	1.9
145.04973	12.1
149.13246	17.1
151.14789	4.4
163.06032	25.1
163.14822	8.0
165.16364	5.5
177.16454	3.9
205.19479	2.7
247.24229	40.4
252.11205	2.3
265.25259	100.0
283.26328	16.3
337.83978	2.0
339.28952	87.6
357.30005	57.9
518.61005	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
55.01863	8.0
55.05257	3.0
55.05512	45.4
57.03445	13.2
57.07072	8.6
65.03932	6.3
67.05511	100.0
69.03442	3.8
69.07077	33.2
69.36642	21.8
69.37060	5.7
69.73135	2.5
71.04999	4.5
71.08638	31.1
79.05499	68.0
79.98949	2.8
81.03416	8.1
81.07063	98.0
83.04977	19.4
83.08616	29.0
85.06512	5.8
91.05486	59.6
93.07051	77.8
93.89156	2.5
95.04973	20.5
95.08611	52.2
97.06552	13.4
97.10170	11.9
98.21420	5.1
99.08095	28.2
105.04563	5.2
105.07027	45.1
107.04958	4.2
107.08603	44.6
109.06540	6.5
109.10162	20.7
111.08082	4.5
111.60236	2.5
115.05426	2.6
117.07020	16.4
119.08591	26.5
119.86868	2.9
121.06480	3.0
121.10169	26.7
123.08105	5.0
123.11708	5.3
125.09631	10.2
129.06995	8.2
131.08566	23.4
133.10130	23.9
135.08022	5.2
135.11707	19.6
137.09622	2.9
137.13280	3.3
138.75113	2.6
139.11197	6.3
141.06996	2.7
142.07819	2.5
143.08585	6.9
145.10103	10.5
147.08107	3.1
147.11690	13.9
149.09654	4.2
149.13243	28.6
151.11174	23.3
155.08568	3.2
157.10143	7.3
159.11659	14.8
161.13240	10.1
163.11176	18.4
163.14781	3.6
165.12776	4.2
169.10083	3.3
171.11713	6.5
173.13251	6.0
175.14883	6.1
177.12753	8.1
179.14310	7.6
185.13283	4.1
187.14830	4.5
189.11192	3.6
195.13841	7.9
200.51065	2.5
227.12836	16.1
251.16638	3.3
253.18056	2.8
259.20541	10.2
269.17496	30.5
277.21646	31.8
293.21118	3.3
323.25812	3.1
332.43802	3.1
333.24249	3.0
351.25287	31.8
367.24686	5.1
407.33499	3.0
425.34515	3.2
431.28192	3.4
439.27252	3.2
453.33459	3.8
463.30551	37.3
501.36047	2.9
527.36993	5.9
545.38354	35.9
698.43628	15.4
699.44232	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	699.1924
Annotation	CHEBI:75353
Peak:m/z	Relative Intensity
51.17688	0.2
65.03942	0.3
67.01862	0.4
67.05506	0.1
68.99793	0.3
69.03417	0.6
72.01498	0.1
79.05491	0.1
81.03423	1.3
85.02893	0.4
85.92911	0.1
89.03904	0.2
91.05489	4.5
93.07032	0.3
93.32275	0.2
95.04979	0.2
95.08651	0.1
98.21475	0.3
101.02374	0.1
109.02882	0.5
113.35677	0.1
113.36474	0.1
119.04095	0.3
119.04949	6.3
120.05273	0.2
121.02870	0.2
127.03899	0.4
132.02069	0.4
137.05974	0.4
137.09547	0.1
145.02827	0.2
147.04420	6.0
149.02324	0.3
153.01825	2.7
154.02625	0.2
157.03983	0.6
164.04666	0.2
167.07028	0.4
171.02928	0.8
175.03917	9.8
176.04326	0.2
177.05431	0.2
178.02597	0.2
179.07018	0.8
180.10240	0.2
181.04982	0.8
192.04126	0.3
205.04906	0.8
207.06541	26.5
208.06865	0.2
223.06007	0.2
225.07399	0.2
242.05731	1.6
258.05270	1.4
269.04602	0.4
270.05243	8.5
273.03912	1.0
285.04407	0.2
285.07642	0.4
286.04779	1.3
287.05487	3.3
298.04739	0.2
299.05475	0.7
301.03448	1.8
302.04190	2.3
313.03442	0.9
315.04999	29.8
316.05731	4.0
331.08130	100.0
332.08475	2.1
351.10812	2.3
369.11847	1.2
369.36798	0.1
430.37448	0.1
518.34900	0.2
534.41547	0.2
564.38483	0.1
699.19421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47482	0.1
53.03943	0.3
57.45425	0.1
61.79321	0.1
65.03941	0.4
67.01859	0.4
67.05508	0.1
68.99808	0.2
69.03420	0.5
69.07064	0.2
70.06586	0.2
70.25867	0.2
70.26224	0.3
77.03927	0.1
79.05496	0.2
81.03416	1.3
81.07056	0.2
85.02894	0.5
85.96877	0.1
90.98486	0.1
91.05489	5.0
93.07016	0.1
95.04986	0.2
95.08610	0.1
97.02863	0.3
98.21371	0.1
99.04482	0.1
105.07030	0.1
107.04978	0.1
107.08598	0.2
109.02890	0.5
109.06522	0.1
109.10156	0.1
117.03397	0.1
118.04163	0.1
118.08707	0.1
119.04948	6.2
119.08582	0.1
121.02815	0.1
121.06477	0.2
123.04388	0.1
127.03908	0.3
129.03377	0.2
129.06987	0.1
131.04913	0.2
131.08624	0.2
132.02092	0.3
133.06505	0.1
133.10135	0.1
135.04359	0.2
136.01599	0.2
136.05148	0.1
137.02451	0.1
137.06026	0.2
140.04718	0.2
145.02863	0.2
147.04419	5.8
148.04668	0.1
149.02388	0.3
150.03169	0.1
152.53752	0.1
153.01828	2.8
154.02617	0.1
157.03993	0.7
164.04698	0.4
167.07051	0.4
171.02873	0.8
175.03915	10.8
176.04453	0.2
177.05475	0.3
178.02594	0.5
179.07045	1.1
181.04985	0.9
192.04214	0.3
205.04958	0.9
205.08578	0.2
207.06541	26.2
208.06868	0.4
214.06346	0.2
225.07591	0.2
227.54465	0.1
229.05124	0.1
241.04852	0.2
242.05724	1.5
253.87425	0.1
258.05237	1.5
269.04550	0.3
270.05249	8.3
271.05722	0.3
273.03995	1.1
285.04105	0.2
285.07510	0.2
286.04706	1.1
287.05502	3.1
299.05515	0.5
301.03467	1.9
302.04211	2.4
313.03519	0.7
315.04999	30.7
316.05743	4.2
316.09497	0.1
331.08124	100.0
332.08459	1.5
351.10751	2.4
369.11859	1.2
518.34479	0.2
699.18744	0.2
699.38074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25809	0.7
55.05500	3.1
56.96569	16.1
61.02924	1.1
67.05499	2.0
69.03433	1.1
69.07050	1.4
70.06581	1.6
70.84607	1.0
70.84928	1.7
71.05000	1.1
71.95232	1.2
72.79002	0.9
72.96046	1.5
79.05488	1.9
81.03422	2.4
81.07049	2.9
83.08623	1.8
84.08145	1.4
84.96024	1.3
85.02908	1.9
86.09753	1.1
91.04017	0.8
91.05466	3.6
93.07049	3.5
95.08614	2.1
95.52749	0.8
97.02920	2.1
97.06496	0.8
98.20802	1.0
98.88682	0.8
103.05426	0.9
105.07034	2.3
107.04930	1.2
107.08614	1.6
108.39175	0.8
109.02876	1.2
109.10162	1.6
110.97578	1.5
119.04900	1.8
119.08607	1.1
121.06459	1.2
121.10152	1.0
127.03921	1.4
128.98576	1.9
129.10167	0.9
131.08574	1.3
133.10104	1.2
135.11577	1.0
137.02739	1.0
137.05966	1.2
141.02263	0.8
145.02812	1.4
145.10092	1.0
147.04449	3.1
159.03329	0.8
167.06989	1.4
171.03329	1.1
173.04826	1.4
175.03929	1.3
177.05481	1.4
183.03352	0.8
185.04832	1.2
189.04414	1.1
189.07979	1.2
195.06870	1.3
199.06412	3.1
203.05716	1.3
204.06392	1.0
207.06612	1.6
211.06435	1.5
213.08012	9.2
213.09865	1.4
217.07477	4.8
221.08537	0.9
225.07964	4.2
228.17253	0.8
229.07494	10.1
231.09065	11.0
237.08008	1.9
239.09628	3.3
241.11057	9.0
243.09038	2.7
247.08549	9.5
251.07138	1.0
251.09448	6.1
252.09380	1.0
253.11136	2.1
255.09035	4.5
257.10385	2.2
259.12186	10.9
267.09164	1.2
269.10614	42.3
270.10800	1.1
271.12402	1.3
273.10120	2.3
287.11697	15.5
292.12173	2.4
305.17908	1.8
315.05194	1.1
315.16324	1.8
331.07980	1.4
333.17416	21.9
351.18451	35.7
354.95477	0.9
369.19504	100.0
370.19797	1.8
374.20071	3.5
387.20578	65.7
388.20966	1.9
410.22165	11.8
450.12943	1.2
451.12759	3.3
574.49908	0.8
699.34198	7.6
699.44812	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	701.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27047	0.4
55.05526	0.5
55.07175	0.3
56.96556	0.4
58.65205	0.4
67.05510	1.1
69.07072	0.4
69.59717	1.2
69.60147	1.3
70.41943	0.4
79.05481	0.6
81.07055	0.7
91.05499	0.8
93.07062	0.7
95.08646	0.4
95.34010	0.3
99.84399	0.3
105.07047	0.8
109.10169	0.4
119.08589	0.4
133.10149	0.6
142.41182	0.4
145.10201	0.5
159.11902	0.4
163.47028	0.4
231.09882	0.4
259.08026	0.5
347.09610	1.0
379.87650	0.4
504.34204	0.6
539.31927	19.0
701.37225	100.0
702.37799	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40226	1.4
53.03946	3.3
55.01865	5.1
55.05513	55.6
56.56496	1.5
57.03438	13.0
57.07065	4.9
61.02919	3.6
65.03918	2.0
67.05509	67.0
69.03441	8.2
69.07069	17.2
71.04965	2.7
71.08617	3.1
79.05045	2.5
79.05494	46.8
81.03411	4.7
81.07061	55.1
83.04964	6.0
83.08133	1.9
83.08624	33.8
85.02895	4.8
85.06562	1.9
85.10168	1.9
87.04397	1.6
89.06040	3.3
91.05485	20.7
93.07048	37.1
95.04951	3.9
95.08035	2.6
95.08611	35.7
97.02899	2.8
97.06525	1.3
97.10174	70.6
98.21497	4.1
102.30605	1.4
105.07055	12.0
105.75962	1.4
107.08602	37.1
109.06528	1.7
109.10162	20.6
111.08061	5.0
117.07021	8.0
119.08571	9.5
121.10162	18.2
123.11745	6.8
125.09641	64.3
131.08595	9.2
133.10104	6.8
135.08046	7.2
135.11693	11.1
137.13257	1.6
143.10672	3.3
145.10124	7.0
147.11671	5.2
149.13240	5.9
153.09096	3.2
159.11673	4.7
161.13269	2.3
162.33784	1.4
163.14771	2.7
171.10149	4.2
173.13275	2.6
175.14861	2.3
184.07248	2.3
186.20906	1.3
187.14815	2.9
189.11229	49.9
227.12782	78.2
227.19977	9.4
243.21101	7.2
245.13852	99.3
261.19397	1.5
261.22147	29.1
267.15887	2.3
279.23215	1.7
299.23663	1.6
301.04254	1.3
313.27362	2.0
317.24731	4.3
335.25815	100.0
379.66904	1.6
431.31583	2.3
468.37607	4.5
487.34433	7.8
505.35260	67.1
506.35730	2.3
548.82062	1.4
702.47949	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	702.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
53.10395	0.9
55.01872	4.5
55.05511	46.4
57.03440	14.2
57.07064	3.7
57.20520	1.0
61.02922	4.0
61.11334	1.1
65.03939	2.5
67.05506	53.4
69.03430	8.2
69.07072	16.3
71.04990	1.2
71.08630	2.3
71.29200	1.1
71.29532	1.9
73.69984	1.1
79.05494	39.7
81.03423	2.2
81.07060	42.5
82.07404	1.8
83.04991	4.2
83.08617	33.8
85.02896	3.9
85.06529	1.9
85.10170	1.5
91.03932	1.1
91.05482	14.3
93.07050	30.1
95.05016	2.3
95.08613	27.3
97.02871	2.2
97.06534	1.5
97.10172	66.5
99.08146	1.6
101.09652	1.2
105.07039	8.8
107.08602	31.9
109.06525	2.1
109.10162	16.5
110.10449	1.3
111.08096	2.8
117.07029	4.3
119.08583	6.2
121.10145	12.8
123.08112	1.3
123.11734	4.9
125.09631	63.5
129.07030	1.2
131.08553	6.9
133.10121	6.2
135.08064	5.3
135.11699	9.9
137.13252	2.0
143.10696	3.0
145.10098	5.7
147.11696	3.8
149.09671	1.2
149.13260	4.5
153.09135	4.4
157.10219	1.2
159.11736	4.0
161.13263	2.7
163.14819	2.5
165.12865	1.3
171.10191	3.9
173.11923	1.2
173.13243	5.6
175.14905	1.3
184.07388	2.5
187.14760	1.9
189.11218	44.5
201.16472	1.2
227.12787	73.0
228.13057	1.2
233.22490	1.2
243.21065	5.8
245.13846	100.0
261.22153	24.3
279.23361	1.9
317.24603	3.6
335.25806	58.7
347.40683	1.2
413.30429	1.6
431.31519	3.4
468.37650	3.4
487.34036	5.1
505.35233	33.9
506.35876	1.5
523.36151	2.2
529.38745	1.3
573.48468	1.3
670.26147	2.3
702.27832	2.2
702.48065	2.1
714.56616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.98852	0.4
67.05512	2.0
69.03438	0.6
69.07066	1.1
69.18382	0.4
69.30939	0.3
71.60154	0.7
79.05505	1.4
81.03429	1.1
81.07057	2.8
83.05003	0.4
83.08611	0.5
84.08151	0.6
91.05479	1.7
93.07046	2.0
95.05002	0.5
95.08611	1.4
97.02918	0.6
105.07036	0.9
107.05005	0.5
107.08590	0.9
117.07042	0.8
119.08609	0.9
121.10136	1.1
131.08632	0.8
133.10097	0.6
135.08046	0.4
135.11739	0.8
142.29538	0.4
145.10143	0.6
159.11752	0.6
161.09750	0.5
185.04192	0.6
232.39662	0.4
291.19772	0.8
347.09607	0.6
462.21851	0.4
541.33551	18.8
685.39728	0.5
703.38745	100.0
704.39185	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47519	0.5
54.45962	0.4
55.05515	1.2
57.03433	0.7
61.01414	0.5
61.98019	0.5
67.05498	2.9
69.03424	0.9
69.07063	0.9
69.58002	1.1
69.58417	2.6
79.05500	2.1
80.47491	0.4
81.03415	1.2
81.07050	2.7
83.08656	0.6
89.53234	0.5
91.05479	1.6
92.37211	0.5
93.07063	2.1
95.08621	1.8
97.02911	0.8
97.10219	0.6
98.20736	0.9
100.67307	0.5
105.07036	1.2
107.04948	0.5
107.08607	1.0
109.10210	1.1
119.07679	0.5
119.08573	1.1
119.92015	0.5
121.10112	0.9
129.06984	0.6
131.08569	0.7
133.10172	1.0
137.47029	0.5
139.25038	0.6
145.10104	0.7
147.11705	0.7
161.02902	0.7
184.07440	0.6
185.04256	0.6
203.05313	1.8
259.08066	1.4
341.25339	0.5
347.09607	1.1
365.10516	3.2
421.13205	1.1
541.33600	19.1
653.26215	1.5
659.36731	0.6
703.38763	100.0
704.38849	4.3
731.75378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05508	2.0
57.03454	0.8
64.84570	0.7
65.38896	0.7
67.05518	4.3
69.07067	1.6
71.08605	0.9
71.60275	1.0
79.05498	3.1
81.07056	3.8
83.04988	1.8
83.08622	1.3
89.06025	2.9
90.06370	0.8
91.05484	1.9
92.02612	0.7
93.07059	3.8
95.04964	1.1
95.08607	2.3
97.06496	0.8
105.07034	2.1
106.32655	0.8
107.08596	1.2
109.10184	1.3
119.08592	1.4
121.10179	1.5
121.79034	0.8
133.08638	1.7
133.10196	1.4
135.11700	1.1
145.10110	0.8
164.91223	0.7
184.07343	2.2
293.43878	0.9
335.22064	6.4
335.25604	1.2
391.24643	7.2
589.79932	0.8
597.02203	0.8
617.53632	0.8
703.47565	100.0
704.47308	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	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14844	0.2
55.71326	0.2
67.69907	0.3
70.18272	1.0
70.18631	0.3
70.99858	0.2
81.03441	0.3
82.99876	0.9
90.41589	0.3
94.99857	0.7
97.02910	0.4
101.00880	6.8
109.02866	0.5
113.00875	1.1
118.08634	0.4
119.01922	10.2
122.01384	0.5
127.02380	1.6
129.00310	0.5
131.01901	3.7
133.03468	0.3
137.01927	0.6
137.02934	0.6
139.02367	0.7
143.01904	16.4
144.02060	0.4
145.03467	7.0
147.01405	0.9
152.02393	0.3
155.00616	0.5
155.01894	11.6
156.04185	1.9
157.03462	3.1
161.02962	14.0
162.03035	0.3
163.04517	0.6
167.01904	8.4
167.03268	0.5
169.03491	2.8
171.01361	0.3
171.05032	2.3
173.02974	12.9
173.04466	0.7
175.04546	1.1
179.01859	3.5
179.03236	0.3
181.03485	0.5
185.02965	33.8
186.03101	0.5
187.04530	3.3
191.03984	0.6
196.04578	0.4
197.02959	12.4
198.94179	0.2
199.04498	0.6
203.03987	8.7
204.04268	0.3
208.04697	0.3
209.02892	1.8
215.04012	7.9
216.04056	0.3
221.05032	0.5
221.68587	0.3
227.04015	8.1
233.04893	0.4
239.04005	0.9
245.05078	100.0
246.05283	2.4
254.05750	0.3
257.05072	4.6
263.06140	12.1
269.05078	0.4
275.06113	10.9
284.06689	1.0
286.07822	0.5
287.06161	0.6
293.07156	2.7
305.07169	11.0
317.07010	0.5
335.08264	3.6
336.08856	0.3
347.08279	0.8
365.09320	45.2
366.09564	1.6
383.10236	1.6
388.25082	0.3
407.10550	0.6
425.11432	35.1
426.11713	1.1
437.11407	2.9
455.12640	1.9
485.13467	0.5
511.03442	0.3
536.15479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02914	0.4
69.03423	0.4
69.55744	2.9
81.30898	0.4
82.99884	1.3
85.02901	0.7
85.08279	0.4
94.93874	0.4
97.02889	0.5
101.00880	5.5
109.02819	0.5
113.00867	1.2
115.02421	0.4
118.08629	1.5
119.01929	8.6
122.01384	1.7
127.02400	1.3
129.00281	0.4
129.01981	0.4
131.01912	4.3
137.01892	1.1
137.02934	0.9
139.02391	1.2
143.01900	17.2
144.01950	0.7
145.03491	6.8
147.01379	0.9
149.01933	0.6
152.02400	1.2
153.03973	0.6
155.01895	11.0
156.04167	2.8
157.03471	4.1
161.02962	15.2
163.03978	0.5
167.01900	6.5
169.03430	3.0
171.04985	2.9
173.02965	15.2
175.04526	1.2
178.67955	0.5
179.01836	3.7
181.03468	0.9
185.02960	33.4
187.04515	3.4
191.03929	0.6
197.01166	1.0
197.02960	13.9
197.04771	1.0
199.04584	0.7
203.03993	8.0
209.02986	1.2
211.04486	0.4
215.04022	7.3
221.03024	0.8
221.05020	0.6
224.04517	0.8
227.04030	9.2
233.04979	0.5
239.03944	0.7
245.05077	100.0
246.05292	1.5
257.05029	4.3
263.06152	11.0
269.18582	0.5
275.06131	11.4
284.06616	1.3
287.06088	0.8
293.07162	3.3
305.07178	10.8
317.07254	0.5
335.08279	3.5
347.08383	1.4
365.09311	42.6
366.09586	1.0
383.10199	1.7
407.10413	0.6
425.11426	37.0
426.11847	1.1
437.11414	2.4
455.12469	2.1
485.31467	0.5
545.16577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.9
55.05511	1.4
67.05493	5.6
69.03421	1.6
69.07079	1.8
69.39159	5.2
69.85486	0.8
75.87508	0.7
79.05504	4.0
81.03409	2.7
81.07065	5.8
83.08646	1.1
85.02909	0.9
85.05733	0.7
87.04479	2.1
91.05497	3.8
93.07062	3.6
95.04974	1.0
95.08635	4.0
97.02919	0.9
97.06548	1.0
97.10142	0.7
105.07043	2.4
107.08596	2.1
109.10149	1.3
111.04415	0.7
117.06990	0.9
119.08582	2.2
121.10149	1.3
129.07050	0.8
131.08557	1.7
133.10165	1.5
135.11700	0.8
147.11662	1.0
149.85434	0.7
184.07314	1.5
191.10571	0.9
213.05577	0.8
395.82858	0.8
479.56406	0.9
535.27118	1.1
545.37903	1.1
707.37653	100.0
708.37756	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	707.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41417	1.0
55.05502	1.6
65.92690	0.9
67.05499	3.6
69.07069	0.9
69.65477	0.9
71.60955	0.6
71.61357	1.5
79.05492	2.5
81.03424	1.9
81.07046	3.1
87.04464	3.4
91.05466	1.7
93.07038	3.6
95.04959	1.1
95.08589	2.0
97.02846	1.2
97.10242	0.8
98.35181	0.7
105.07032	1.8
107.08585	2.4
109.10246	1.4
119.08598	1.1
120.90569	0.8
121.10132	1.2
127.03841	0.8
131.08594	1.4
133.10156	1.6
145.10049	1.2
168.37349	0.9
180.65785	0.9
184.07394	1.3
268.11993	0.8
302.94968	0.8
429.15158	1.2
435.15387	0.9
545.38086	1.2
591.44861	0.9
689.41827	1.0
707.37561	100.0
708.37805	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	707.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
51.69059	1.7
53.03960	9.8
55.01877	9.6
55.05296	2.3
55.05518	30.9
57.03436	8.0
57.07076	5.0
58.72464	1.8
65.03943	8.0
67.05509	89.1
69.03427	9.4
69.07071	22.9
71.04988	5.6
71.60241	3.3
77.03893	3.4
79.05500	90.1
81.03426	58.7
81.07063	77.6
83.05000	9.7
83.08623	15.9
85.02924	3.1
85.06538	3.5
89.03905	1.9
91.05490	74.6
93.07051	100.0
95.04981	23.9
95.08613	52.5
97.02911	5.1
97.06538	7.8
97.10187	6.7
99.08100	2.4
103.05488	6.9
105.04539	3.6
105.06364	3.6
105.07041	53.0
106.95929	1.8
107.04971	10.2
107.08600	41.0
109.02864	1.8
109.06519	8.0
109.10164	27.1
111.04455	3.3
111.08078	5.1
115.05476	5.9
117.03380	2.6
117.07040	12.8
119.04953	2.8
119.08589	41.2
121.06511	4.4
121.10149	44.9
123.04411	9.0
123.08082	6.1
123.11720	6.4
125.09650	1.9
128.06232	2.6
129.07021	15.2
131.04977	3.8
131.08582	27.2
133.02887	2.8
133.06523	4.2
133.10147	30.4
135.04431	4.9
135.08102	3.7
135.11699	16.1
136.08456	2.3
137.09616	4.2
141.06985	4.4
142.07777	2.6
143.04893	3.6
143.08545	5.3
145.02899	3.7
145.06494	6.0
145.10126	15.2
147.02689	2.1
147.04445	8.0
147.08089	4.8
147.11690	22.6
149.06007	5.0
149.09624	17.1
149.13261	11.0
151.11226	2.8
157.06494	8.6
157.10138	11.2
159.04439	19.6
159.11705	8.4
161.02351	10.4
161.06026	7.0
161.09619	2.8
161.13292	7.7
163.03920	46.2
163.11206	2.6
163.14839	4.8
165.05524	6.8
165.06924	2.3
165.12796	8.0
167.08595	2.8
169.06485	4.4
169.10138	2.4
171.04404	2.9
171.08124	5.1
171.11742	4.0
173.02371	24.9
173.04565	3.9
173.06026	10.7
173.13321	5.9
175.03940	5.9
175.07582	2.5
175.11183	8.7
175.14854	2.9
177.05475	2.6
178.07909	2.1
179.08569	1.7
181.06525	4.7
181.10164	3.6
183.08084	7.0
183.11801	2.5
185.06047	6.7
185.09805	1.8
185.13260	4.0
187.03905	26.3
187.07626	7.3
187.14948	3.4
189.05440	9.6
193.12257	12.1
195.08136	5.2
195.13808	2.4
197.05966	4.0
197.09717	3.5
199.03929	15.2
199.07585	7.4
201.05515	11.7
201.09261	3.0
203.03278	2.5
205.05060	3.4
205.10257	2.2
209.09746	3.1
211.07610	5.8
211.13324	7.4
213.05457	24.5
213.09180	3.4
215.06969	4.0
215.10771	2.4
217.05013	3.2
221.09630	3.6
223.07646	2.8
223.11160	3.1
225.05487	2.2
225.09100	3.8
227.07085	5.1
229.05008	2.4
233.09616	2.5
237.09282	2.5
239.06993	2.2
239.10844	2.6
239.14328	2.5
241.08530	2.6
241.19508	3.5
243.13945	1.9
243.21057	3.0
249.12663	4.7
249.91585	1.7
259.20694	10.2
261.22195	13.6
265.12320	5.1
267.13751	28.1
277.21753	4.9
283.13367	7.0
285.14990	5.3
293.11807	7.7
309.15005	4.3
311.12845	23.2
311.16483	10.5
313.14502	3.9
317.24792	3.0
327.16025	9.6
329.13940	1.8
333.17218	2.0
333.24289	4.1
335.25873	23.6
337.14285	9.9
355.15402	59.5
357.17041	11.1
373.16589	6.0
429.19128	47.0
429.24677	3.4
431.20770	4.8
447.20343	3.8
527.37823	3.3
567.74115	2.2
571.34302	2.5
587.37201	5.4
597.36017	7.2
615.36792	16.1
623.39221	4.0
633.38135	19.0
651.38916	4.2
671.39600	4.0
679.42090	23.4
689.40546	45.3
707.41583	89.5
708.41913	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	707.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.5
51.02382	1.2
53.03950	7.2
55.01869	5.5
55.05511	23.2
57.03439	5.8
57.07080	2.6
61.02921	3.5
64.88100	1.1
65.03946	4.4
67.05507	55.7
69.03427	5.8
69.07073	17.4
69.23244	5.3
69.23671	5.2
69.50666	1.0
70.59246	1.0
71.04993	4.6
71.08624	1.5
73.02910	2.4
74.41920	1.1
79.05495	56.8
81.03420	45.3
81.03907	1.6
81.07057	55.7
83.04970	8.1
83.08611	12.6
85.02895	3.1
85.06554	2.3
89.03921	1.3
91.03957	2.6
91.05483	50.6
93.07047	62.5
95.04971	17.6
95.08609	36.3
97.01516	1.0
97.02906	4.4
97.06533	5.4
97.10150	6.9
98.20694	2.1
99.04477	1.2
103.05485	4.0
105.04518	1.2
105.07037	38.2
105.07764	1.9
107.04960	4.8
107.05634	1.1
107.08594	30.2
109.02890	2.4
109.06547	4.8
109.10164	16.0
109.60686	1.1
111.08080	3.4
115.05425	5.7
115.31945	1.0
117.03406	2.0
117.07013	11.4
119.04957	1.7
119.08587	25.8
121.06538	3.5
121.10147	27.6
123.04436	5.4
123.08090	4.2
123.11687	5.1
125.09655	2.1
127.03935	2.2
128.06305	1.1
129.07021	10.9
131.04976	1.8
131.08572	19.8
132.09241	1.6
133.02872	3.5
133.06516	3.5
133.09187	2.2
133.10133	18.1
135.04410	4.5
135.08054	2.0
135.11681	10.3
137.06033	1.1
137.09612	2.5
139.11230	1.2
141.07039	3.3
142.07790	2.1
143.04967	1.5
143.08588	4.2
145.02884	3.4
145.06488	6.3
145.10155	7.6
147.04395	5.1
147.08047	2.6
147.11696	14.7
149.05997	6.7
149.09619	9.7
149.13284	7.2
151.11197	3.3
153.07040	2.5
154.07848	1.3
155.04912	1.1
155.08578	2.2
157.06432	5.5
157.10152	7.9
159.04422	10.6
159.05399	0.9
159.08066	1.7
159.11705	7.6
161.02347	6.9
161.05991	5.5
161.13268	4.5
163.03903	33.1
163.11206	2.5
163.14809	1.4
165.05516	4.5
165.06906	1.2
165.12791	3.0
167.08589	2.2
169.06514	2.7
169.10173	1.4
171.04410	2.0
171.08113	3.3
171.11719	2.0
173.02353	16.2
173.04671	1.4
173.05972	7.5
173.13345	3.0
175.03963	4.9
175.07588	2.6
175.11255	3.5
175.14880	2.0
177.05530	2.0
177.37967	1.0
179.08611	1.4
181.06526	4.2
183.08102	4.4
183.11678	1.4
184.07390	2.6
185.05995	4.5
185.13333	2.7
187.03897	18.9
187.07620	4.2
187.14786	2.2
189.05495	3.5
189.09175	1.5
189.12801	1.4
191.10635	1.3
193.10693	1.6
193.12268	8.8
194.07158	1.1
195.08134	3.5
195.11887	1.2
195.13853	1.7
197.06067	3.8
197.09671	2.3
199.03886	9.0
199.07596	4.5
201.05438	6.9
201.09128	2.0
203.03377	1.6
205.10112	1.1
207.08075	1.6
209.09705	2.9
209.11705	1.3
211.07628	4.1
211.11548	1.0
211.13289	5.6
213.05438	15.8
213.09055	2.0
215.03465	1.4
215.07063	3.3
219.11833	1.4
221.09673	2.5
223.07602	2.5
223.11227	1.5
225.09128	3.2
225.12804	1.6
227.07037	1.9
227.10698	1.9
229.05003	1.6
229.12206	1.2
233.09795	1.2
235.11192	1.5
237.09227	1.4
237.12694	1.7
239.07220	1.8
239.10748	1.7
239.14357	1.6
241.08688	1.2
241.12123	1.9
241.19708	1.9
247.11115	1.6
249.12770	2.8
251.10828	2.0
259.20612	5.4
261.22113	8.2
265.12326	2.1
265.76654	1.2
267.13757	17.5
275.10928	1.4
277.21637	5.1
283.13321	6.1
285.14886	2.8
293.12064	5.0
293.15079	1.7
309.14981	2.1
311.12912	11.6
311.16537	6.4
313.14392	3.1
313.21671	1.3
317.24936	2.8
319.13165	1.9
327.15988	4.1
329.13898	1.7
331.16464	1.1
333.17023	1.8
333.24527	2.8
335.25867	13.2
337.14450	5.8
355.15402	36.1
357.17010	8.8
373.16690	3.7
411.17612	1.6
423.25592	1.2
429.19165	34.2
431.20953	4.6
447.20129	2.9
519.29248	3.0
527.37811	1.2
545.38452	1.9
571.34729	1.2
587.37415	2.9
597.35675	3.5
605.38623	1.8
615.36652	12.6
623.39569	3.1
633.37799	14.0
634.38422	1.4
651.39191	1.9
661.40991	2.0
665.40564	2.2
671.39734	2.1
679.42078	20.1
689.40607	32.7
690.41492	1.4
706.48145	1.2
707.40887	100.0
708.41431	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	709.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
53.03937	1.2
55.01861	0.6
56.96571	0.4
57.03427	1.0
65.03917	2.0
67.05496	1.0
69.03435	2.0
69.35880	3.8
70.06580	1.0
71.04980	0.7
77.03922	1.1
79.05493	2.7
81.03419	5.2
81.07067	1.9
83.04945	1.0
84.08127	0.5
85.02905	2.7
89.03901	2.2
91.05482	24.9
93.07047	1.1
94.04169	1.7
95.04952	0.9
95.08582	0.8
97.02891	0.6
97.06522	0.7
98.20776	0.8
99.04440	0.8
102.66984	0.4
103.05481	2.0
104.81973	0.4
105.03422	0.9
105.07022	4.3
107.04964	2.7
107.08581	1.4
109.02895	2.3
109.06533	1.1
109.10130	0.9
111.04413	0.5
115.05453	2.2
117.03354	3.0
117.07034	1.0
118.04137	0.7
119.04948	32.7
119.08573	1.6
121.02879	0.5
121.06510	0.8
121.10126	0.5
122.03621	3.3
123.04408	0.6
124.05181	0.4
127.03930	1.2
128.06209	1.4
129.03343	0.6
129.07039	2.1
129.57010	0.4
131.04903	2.1
131.08492	0.5
132.02049	1.1
132.05688	1.2
133.02838	0.5
133.06494	2.8
133.10146	0.5
136.05159	0.5
137.05977	38.4
145.02843	7.5
145.06485	1.0
145.10080	0.5
147.04413	32.5
147.08046	1.7
149.02296	0.9
149.05989	1.9
149.09683	0.4
151.03886	0.6
151.07515	0.8
155.04924	0.8
156.05629	0.8
157.03976	2.7
157.06522	0.5
159.08046	2.1
160.05179	0.6
161.05988	6.9
163.03877	1.1
163.07547	0.9
163.11200	0.4
164.04677	1.3
165.09158	0.9
167.07054	7.9
171.08105	0.7
172.05118	0.6
173.03716	0.4
173.09541	0.5
175.03911	42.2
175.07516	13.6
176.04370	0.6
177.05467	13.8
179.06967	2.7
181.04936	0.9
184.05170	0.6
187.07536	4.4
189.07103	0.5
189.09102	0.9
190.07767	1.5
191.06961	0.9
191.08562	3.5
191.96664	0.5
193.08557	0.9
199.07568	2.9
202.07826	1.4
203.08588	3.2
203.97922	0.4
204.09323	0.6
206.07362	0.4
207.06525	100.0
208.06848	1.6
209.15494	0.5
217.08560	0.8
218.07359	1.2
219.08072	6.1
220.08861	1.3
221.09666	0.5
225.07574	0.7
229.14813	0.5
231.08121	3.2
231.10115	0.8
232.08810	1.1
233.09665	0.5
234.10063	0.4
235.07600	0.6
236.08356	0.9
237.09059	0.5
247.07491	2.5
248.08365	2.4
249.09103	0.8
251.10669	6.1
259.07535	2.3
260.08228	1.5
261.09106	1.1
263.10703	2.5
264.07791	0.9
265.08527	0.7
275.07104	0.5
276.07755	1.5
277.08594	1.6
279.10052	4.3
280.10910	0.8
281.11566	0.5
291.10141	4.2
292.10855	0.7
293.07983	0.6
301.07385	0.5
308.10477	0.8
311.09152	0.6
311.12741	10.5
321.10092	0.6
322.69547	0.4
323.12814	6.2
327.08011	0.4
331.08130	0.7
341.13934	3.0
343.08249	0.5
351.10733	8.3
353.13913	1.2
369.11646	3.1
383.14874	3.2
397.08844	0.6
433.11584	0.8
709.19672	0.6
709.38635	1.5
720.94562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89432	1.9
53.03939	5.1
53.80857	2.0
55.01859	3.8
55.05522	13.7
57.03435	14.6
57.07078	2.1
61.02934	13.7
67.05515	39.6
69.03407	5.9
69.07079	10.9
70.06573	3.2
70.56239	4.2
70.56612	4.5
70.80199	2.0
71.04984	4.2
73.02937	4.9
79.05496	35.0
81.03421	4.5
81.07069	41.1
83.04983	4.9
83.08607	8.9
85.02923	15.7
85.06558	5.2
91.03941	7.9
91.05479	31.3
93.07053	46.4
94.07283	1.9
94.91180	2.0
95.04968	6.5
95.08038	2.6
95.08614	33.9
97.02878	9.7
97.06530	5.6
97.10154	3.4
99.04423	2.6
99.08128	3.9
101.94553	2.1
105.07031	27.3
107.08593	25.2
109.06532	4.0
109.10157	15.1
109.10785	2.7
111.04414	2.4
111.08091	4.2
115.05461	2.1
117.07016	8.1
119.08598	21.1
121.10143	24.0
123.08056	2.9
123.11727	5.8
127.03913	6.1
129.06999	3.6
131.08603	15.8
133.10110	18.6
135.08075	2.4
135.11684	23.4
143.08540	4.0
145.02831	2.3
145.04945	4.1
145.10129	12.0
147.04401	5.5
147.11710	17.4
149.09706	2.5
149.13225	10.0
157.10110	5.0
157.51709	2.2
159.11731	12.6
161.13220	7.4
163.06105	2.7
163.14778	2.6
171.11668	6.4
173.13246	7.7
175.14772	4.4
177.05489	3.3
177.12770	5.3
185.13245	4.1
187.14806	8.8
199.14781	3.3
201.16399	3.1
205.15805	2.8
211.90529	2.9
221.18980	2.5
229.14238	3.5
234.92015	2.1
241.19502	8.2
259.20551	25.2
269.17554	10.1
277.21667	20.4
318.34793	2.3
333.24152	5.5
351.25314	100.0
352.25745	3.9
369.26315	3.1
375.25226	2.4
379.53705	2.5
404.32358	2.3
477.27991	3.4
495.29367	6.4
513.30359	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	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.6
54.16989	3.0
54.33440	3.0
55.01885	8.1
55.05511	25.3
57.03434	10.4
57.07066	3.9
59.69213	3.5
61.02927	9.0
65.03910	3.5
67.05508	57.6
68.23520	3.4
69.03410	8.9
69.07068	22.3
69.38839	8.4
69.39265	19.1
71.04998	5.3
73.02919	5.7
79.05491	34.4
81.03403	10.0
81.07058	60.9
83.04962	7.1
83.08620	14.7
85.02933	16.8
85.06541	6.5
86.09680	6.1
91.03927	8.9
91.05479	40.3
93.07045	41.7
95.04987	6.8
95.08609	36.7
97.02887	9.1
97.06528	15.3
97.10178	10.3
98.20766	6.7
105.07031	30.3
106.87348	3.3
107.08599	34.2
109.06505	9.3
109.10165	26.8
111.04377	4.4
111.08067	4.3
117.07006	8.4
119.04913	4.0
119.08582	23.3
121.06533	3.6
121.10160	20.1
123.11745	4.5
125.09634	8.8
127.03886	4.5
129.04025	3.1
129.06979	4.7
131.08560	9.7
133.10144	20.1
135.07994	3.9
135.11703	14.3
145.10136	11.1
147.04419	9.4
147.11678	18.0
147.41426	3.0
149.13269	14.6
154.76146	3.7
157.10110	5.5
159.11696	12.9
159.92937	3.0
161.13249	11.7
163.06004	3.2
163.11102	4.2
165.12871	3.5
169.10091	3.1
171.11702	3.6
173.11777	4.9
173.13242	6.9
177.12700	7.4
185.13216	3.1
187.14847	5.2
195.13782	5.8
229.14365	19.2
241.19481	4.7
259.20590	16.6
269.17487	16.5
277.21649	26.7
297.16968	4.4
301.16660	3.4
351.25305	100.0
351.96677	3.8
362.07187	3.6
369.26321	4.3
457.69455	3.3
463.29910	6.3
495.29150	5.7
513.30621	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	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.4
55.05504	8.4
57.03426	8.2
61.02924	5.0
65.03922	2.4
67.05504	30.5
69.03415	7.7
69.07083	10.8
70.06595	6.4
71.04998	3.8
71.59728	3.5
79.05485	16.0
81.03419	36.7
81.07063	26.4
81.60674	1.9
83.04972	9.3
83.08605	9.6
85.02911	5.6
85.06532	5.2
86.09686	2.6
91.03941	2.9
91.05476	32.3
92.05789	3.0
93.07056	18.7
95.04980	14.2
95.08607	8.9
97.02875	3.1
97.06525	3.8
99.00721	2.3
99.04450	2.5
105.07044	27.7
107.04962	4.0
107.08595	20.5
109.02862	3.5
109.06531	4.2
109.10155	38.5
111.04418	2.5
111.08098	4.0
117.07050	4.0
119.04973	4.6
119.08581	8.9
121.10165	6.0
123.11697	5.6
129.06989	3.6
131.08554	6.9
133.06490	3.5
133.10127	47.3
135.11650	2.9
137.05992	2.2
143.08600	2.4
145.10123	4.2
147.04378	11.9
147.11681	4.3
149.09651	3.5
151.11191	24.9
157.10213	2.7
163.11168	2.9
167.07040	3.6
175.11192	3.0
179.10718	2.5
193.12291	9.4
196.84917	2.5
211.13283	2.2
253.14359	100.0
267.15936	39.6
271.15442	23.4
283.15234	2.8
445.25812	17.1
463.26929	57.3
467.18509	2.6
495.29343	5.4
498.11398	2.6
503.35526	2.2
573.93567	2.3
710.32593	4.9
711.31921	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	711.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01864	1.9
55.05288	2.2
55.05515	24.1
57.03438	12.6
57.07072	2.7
57.76519	1.5
57.95679	1.4
65.03947	3.5
67.05507	70.9
69.07069	24.8
69.52857	9.3
69.53267	2.4
71.05002	5.9
79.05497	41.1
81.07056	82.0
83.04967	3.7
83.08636	8.9
85.06544	4.8
91.05479	33.7
93.07048	47.4
95.04980	4.8
95.08607	76.6
96.08920	1.9
97.06508	7.7
97.10173	5.1
98.21484	3.0
99.08098	3.7
105.07031	28.4
107.08591	25.0
109.06510	3.3
109.10157	17.3
111.08076	3.3
117.07049	5.4
119.08592	17.8
121.10148	20.5
123.08090	3.7
123.11704	4.7
131.08566	5.6
133.10129	21.8
135.11700	16.2
137.09608	2.9
137.13297	3.5
145.10132	7.2
147.11710	4.5
149.13257	7.1
151.11330	1.9
155.82797	1.9
159.11725	6.0
161.13263	20.5
163.14815	3.8
171.11604	2.2
173.13263	5.8
175.14886	2.3
179.14316	14.9
187.14880	2.7
243.21117	4.9
253.14378	5.1
253.17976	18.2
255.15950	3.2
261.22183	13.7
271.19034	31.9
292.15878	1.7
296.19205	1.7
335.25806	100.0
336.25934	7.6
360.33939	1.6
439.35626	3.2
513.39148	6.2
514.36072	5.3
515.37152	7.3
531.40582	32.4
549.41406	1.9
711.41553	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	713.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29475	1.1
55.05508	1.6
57.03424	1.2
61.02921	2.3
66.06603	1.0
67.05505	4.1
69.03416	2.9
69.07068	1.6
70.00903	5.0
70.06585	1.8
79.05489	2.4
81.00124	1.1
81.03412	3.1
81.07066	2.6
83.17380	1.1
85.02913	3.4
90.04640	1.2
91.03948	1.2
91.05490	3.8
92.05861	1.1
93.07063	2.9
95.04977	2.5
95.08615	1.7
95.37911	1.0
97.02891	2.6
105.07055	2.6
107.08601	1.5
109.02897	1.4
109.10161	2.3
111.08154	1.2
112.70911	1.1
119.08564	2.6
121.10138	2.0
127.03878	1.6
133.10138	2.2
135.11710	1.2
145.10172	1.2
147.04395	2.5
147.11737	1.7
153.94781	1.0
170.29840	1.0
177.05493	1.2
185.27083	1.1
193.12332	1.2
203.05424	1.9
204.11374	1.1
231.09900	1.1
259.07883	2.6
361.64099	1.2
365.10516	3.4
389.23157	3.5
392.09409	1.1
439.19565	2.4
551.28192	18.1
583.30945	4.0
631.87512	1.6
641.31012	3.8
667.32922	2.4
713.33502	100.0
714.33551	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00680	3.9
53.03921	6.5
53.20732	4.3
55.05526	26.0
57.03417	19.2
57.07064	6.1
65.03940	6.1
67.05164	6.1
67.05510	84.2
69.03381	3.8
69.07079	28.9
69.39970	33.5
71.04957	7.2
72.77851	4.2
74.74342	4.0
79.05497	46.2
81.07064	100.0
83.04971	4.9
83.08608	17.3
85.06532	7.4
91.05483	38.9
93.07050	48.2
93.13964	4.4
94.22771	4.0
95.08618	49.1
97.10156	6.8
105.07029	43.0
107.08600	30.8
109.10177	35.1
111.08070	5.3
117.07021	15.1
119.08582	32.0
121.10141	20.6
123.11723	6.3
131.08569	24.1
133.10152	27.6
135.11691	16.8
143.08569	5.8
145.10103	19.4
147.11688	22.1
149.13248	9.6
157.10106	7.4
159.11679	14.6
161.13290	6.8
163.11194	5.7
165.12794	9.9
171.11673	6.0
173.11784	6.4
173.13214	10.2
177.16304	4.9
184.07332	6.3
185.13237	8.5
187.14877	6.0
199.14838	5.9
229.14394	22.5
239.16406	21.9
241.17943	8.8
259.20813	5.3
261.22144	9.0
294.27563	4.6
333.24213	4.3
335.25827	48.0
423.65057	4.6
425.34021	15.0
443.35294	6.3
489.35706	14.8
491.87015	4.6
499.37964	27.1
517.38934	66.3
573.48517	10.5
714.40424	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	715.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65007	0.4
53.03947	0.3
55.05523	0.4
63.20346	0.3
67.05513	1.0
69.03442	0.7
70.06601	0.6
71.04988	0.4
71.42789	0.7
75.13142	0.3
79.05505	0.6
81.03416	0.4
81.07057	0.8
81.48019	0.3
83.01086	0.6
85.02921	0.8
85.06560	0.3
91.05495	1.1
93.07049	0.8
95.01112	0.3
95.04975	0.5
95.08627	0.5
97.02856	0.4
97.03530	0.3
105.07035	0.8
107.08601	0.7
109.06518	0.3
119.04953	0.4
119.08592	0.5
119.16099	0.4
121.10188	0.5
127.03880	0.5
131.08488	0.4
133.03453	0.6
147.04382	0.6
157.04747	0.5
173.03015	0.5
185.04233	2.4
190.60977	0.4
201.03709	2.3
203.05258	2.1
239.71864	0.4
241.06909	0.4
257.06363	0.8
259.07843	2.2
317.08499	1.4
317.19470	0.6
319.10144	1.6
329.08603	0.4
331.10007	2.2
345.11545	0.4
347.09555	4.1
363.09000	1.6
365.10544	3.9
391.24551	0.9
401.17838	0.5
415.19644	1.0
421.13336	2.8
453.21091	0.4
455.22943	0.6
483.22086	2.9
493.15308	3.7
507.16922	0.9
507.38898	0.4
521.18665	1.0
535.20496	0.7
553.29865	13.1
554.30023	0.6
563.23346	0.8
577.24847	1.3
603.26965	0.5
617.28186	1.1
625.32330	1.8
629.26532	0.5
645.27203	0.8
715.35107	100.0
716.35443	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	716.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.07080	30.2
61.51469	0.5
67.05503	1.7
69.07083	4.8
71.08637	28.8
73.02915	0.6
73.06566	9.5
81.07050	1.7
83.08631	3.5
83.56595	0.5
85.10184	17.4
87.04476	8.4
89.06036	100.0
91.07594	1.6
93.07034	0.9
95.08628	0.9
97.10176	5.2
98.20778	1.5
99.11749	2.0
105.06976	0.6
107.07067	2.5
109.31306	0.5
111.11703	3.3
113.13280	1.7
117.09138	8.1
119.08573	0.6
125.13242	1.2
127.14861	1.0
130.08664	2.6
131.07051	2.9
133.08612	54.1
135.10199	0.8
139.14836	1.0
141.16408	1.3
143.08585	0.5
161.11748	2.1
163.63297	0.6
175.09689	1.8
177.11238	19.7
191.22406	0.5
197.22701	1.9
221.13823	4.4
239.14931	0.9
241.25346	1.5
265.16550	1.0
283.17523	1.7
285.27957	5.0
309.19147	1.2
327.20187	0.9
329.30481	3.4
353.21667	0.8
503.30634	1.7
699.52283	2.5
716.55811	1.5
716.93774	0.6
717.41553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27203	0.4
53.03953	0.8
54.50579	0.4
55.05507	1.8
57.03426	1.7
57.07064	0.5
59.24450	0.4
61.02930	5.0
65.03964	0.5
67.05510	5.9
69.03431	2.9
69.07070	1.6
70.28671	1.7
71.05000	0.6
73.02928	4.3
77.56879	0.4
79.05501	4.0
81.03423	1.6
81.07065	5.1
83.04994	1.3
83.08635	1.0
85.02912	6.0
87.04491	0.5
91.03970	3.7
91.05493	2.2
93.07050	6.1
95.05012	0.4
95.08611	4.4
97.02898	4.4
97.06534	1.0
99.04504	0.6
101.02380	1.8
103.03976	0.6
105.07040	1.5
107.08605	3.1
107.66632	0.5
109.02873	0.9
109.10162	1.6
119.08593	1.3
121.10172	1.9
125.09646	0.4
127.03931	1.4
133.10104	0.5
135.11696	3.0
144.12227	0.4
145.10104	1.2
153.12808	0.6
153.99265	0.4
162.07768	1.4
163.11186	0.6
185.04218	0.5
197.71832	0.4
203.05232	0.6
221.11571	1.7
243.08395	2.0
335.25833	0.9
336.26440	0.8
397.51767	0.4
439.19397	3.6
460.38251	0.5
518.72369	0.4
519.29327	8.9
520.37286	0.7
555.36536	0.5
577.30219	0.5
717.41852	100.0
718.42358	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	718.475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69930	1.5
55.01896	2.2
55.05516	10.3
57.03443	7.9
57.07082	23.1
57.82104	1.5
67.05506	16.1
69.07071	8.0
71.05005	2.4
71.08635	20.0
79.05498	15.9
81.03432	1.4
81.07061	16.9
83.04988	2.0
83.08615	9.7
85.10184	11.3
89.06036	11.8
91.05479	5.3
93.07053	19.3
95.04955	2.7
95.08037	2.4
95.08615	33.5
96.08911	1.7
97.02911	2.1
97.06548	2.2
97.10215	3.7
97.94423	1.6
98.21537	3.2
99.04471	2.5
105.07018	5.9
106.04966	1.5
107.04955	4.4
107.08594	17.4
109.06548	1.8
109.10163	7.8
112.54998	1.5
117.07030	5.6
119.08618	8.2
121.06497	3.9
121.10172	9.1
123.11691	1.9
133.08618	5.2
133.26382	1.5
135.08075	1.5
135.11714	34.0
139.07562	2.6
145.10138	15.7
163.11195	46.4
163.12520	3.3
178.11627	1.8
181.12244	6.6
209.11763	1.7
216.61020	1.6
224.32867	1.6
227.12799	52.3
283.15411	84.7
313.27386	92.0
314.27847	3.3
447.21982	2.3
475.21164	6.2
521.38440	100.0
522.38495	3.6
535.23499	2.8
553.72632	2.0
621.27557	2.6
622.27765	20.7
640.76215	1.9
642.80859	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	718.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.07079	32.8
62.54994	0.9
62.92038	0.9
67.05499	2.8
69.07053	2.1
70.06582	1.1
71.08634	21.9
71.60886	1.2
71.61313	0.9
73.02923	1.7
73.06560	8.5
74.05663	1.0
79.05485	1.4
81.07039	2.7
83.04960	1.5
83.08633	1.9
85.10191	20.4
87.04475	12.0
89.06036	100.0
91.05486	2.2
91.07630	1.4
93.07043	2.3
95.08615	1.7
97.10169	3.6
99.11753	4.6
107.07082	2.0
107.08618	1.2
109.10164	1.4
117.09148	8.4
121.10203	1.2
130.08650	2.1
131.07028	4.5
133.08609	52.6
135.10176	0.9
145.10176	1.2
155.17938	4.3
161.11684	1.6
175.09718	2.0
177.11229	19.6
177.50130	1.2
182.64160	1.0
184.07265	1.4
199.20578	4.3
204.07730	0.9
221.13776	3.4
240.23151	1.4
243.23232	6.4
283.17596	2.2
287.25714	3.0
309.19031	1.5
333.99451	1.0
335.06686	1.0
520.49500	1.2
594.96832	1.0
701.50433	1.6
718.44592	3.2
719.46753	1.2
743.69818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98671	0.6
57.87187	0.9
66.33114	0.7
70.60011	0.8
71.60049	1.4
72.23163	0.9
76.31889	0.8
82.99882	0.8
85.02896	1.7
88.39556	0.7
89.03931	2.1
95.04967	2.5
97.02924	1.9
98.97641	0.9
101.00889	7.9
105.00397	0.8
107.04974	0.7
109.02939	1.3
113.00893	2.2
117.03392	3.4
118.08665	3.3
119.01935	17.0
121.02852	1.4
127.02428	2.3
127.04001	0.7
129.85173	0.7
131.01912	5.7
133.03517	1.5
135.04431	9.1
137.02975	0.8
143.00153	0.8
143.01926	14.0
145.02768	5.5
145.03526	7.0
147.01436	0.9
147.04448	1.2
149.02974	0.7
155.01901	12.1
156.04225	3.9
157.03499	6.2
161.02975	13.8
163.03911	78.1
164.04208	1.8
167.01869	6.9
169.03500	5.5
171.05075	3.8
173.02975	14.4
175.04523	0.9
179.01903	3.8
181.03444	1.1
185.01283	1.5
185.02980	33.4
186.03099	0.7
187.04503	6.7
193.03455	1.8
195.05009	1.1
197.02963	15.4
199.04509	1.1
203.01961	2.6
203.04045	9.9
205.03638	0.9
209.03029	2.8
211.04449	1.0
213.02530	0.9
213.06178	1.2
215.04044	9.8
221.02975	46.8
222.03175	1.2
227.04056	7.9
228.35861	0.7
233.05112	0.9
239.04036	13.4
245.03088	2.9
245.05093	77.2
246.05370	1.8
247.04652	1.4
250.95256	0.7
257.05084	13.4
259.04581	1.6
261.04584	3.2
263.03723	4.2
263.06281	8.1
270.03171	0.8
271.04501	15.5
273.06091	1.7
275.06171	9.1
277.05539	1.9
281.05106	6.0
285.06219	1.7
287.03845	3.8
287.06671	0.8
289.05597	6.4
291.07153	1.7
293.07294	2.4
295.04126	1.5
295.06805	2.6
297.05890	0.9
299.03845	3.8
303.07175	1.1
305.07562	9.6
307.06699	5.2
309.08252	1.2
313.05661	3.6
315.03442	2.2
315.07025	1.6
323.06113	2.5
323.09674	1.3
325.07620	1.1
331.06638	7.8
332.06812	0.8
333.04749	1.8
333.08234	1.8
335.08224	2.3
341.05164	2.5
347.05942	0.8
349.07672	11.8
351.05643	2.3
356.85510	0.8
359.06030	6.6
365.09213	5.2
367.08887	2.2
369.06671	2.6
377.02441	1.3
377.07187	25.8
378.07385	1.6
383.08084	1.2
391.08557	0.8
395.08218	12.0
401.07281	0.9
413.08914	1.2
419.08313	3.4
437.09338	100.0
438.09680	4.2
440.20596	0.7
449.09317	12.2
450.09540	0.8
455.10422	7.7
459.48703	0.8
461.09375	4.4
467.10446	9.6
467.85953	0.7
468.10452	0.9
473.09006	1.1
479.10440	8.9
481.11697	1.0
491.10440	1.5
497.11438	3.2
509.11310	2.2
521.11536	5.7
539.12427	13.6
557.13281	2.6
581.13354	1.0
701.16498	1.0
719.19098	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	719.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01880	0.5
55.05505	0.3
57.03427	0.4
61.02935	0.4
65.03936	0.6
67.05497	0.3
69.03431	1.5
69.07081	0.2
70.06606	0.6
70.70745	0.6
70.71140	0.6
72.08149	0.3
78.04712	0.6
79.03426	0.2
79.05482	0.8
81.03432	0.9
81.07066	0.5
83.04958	0.3
84.17165	0.2
85.02911	2.5
86.06069	0.3
86.09696	0.3
87.04474	0.3
89.03938	0.4
91.05482	2.7
93.03415	1.7
93.07048	0.9
95.04953	0.8
95.08581	0.5
97.02904	1.1
97.06505	0.6
101.33896	0.2
103.05447	1.0
105.03371	0.2
105.07035	0.5
106.04175	2.3
107.04958	1.1
107.08609	0.5
109.02869	0.5
109.06515	0.4
109.10146	0.3
115.05482	0.4
119.04935	1.0
119.08555	0.3
121.02863	0.3
121.06516	3.1
123.04460	0.7
125.06007	1.0
127.03909	0.5
129.07050	0.2
131.04958	1.2
132.05663	0.4
133.10039	0.3
134.03667	0.5
135.08150	0.3
137.06003	0.8
139.07573	0.4
140.04683	0.3
141.07123	0.3
145.02853	0.9
147.04408	1.2
149.05995	6.5
151.03874	0.5
151.07582	0.8
153.01828	7.0
153.09120	2.3
154.02621	0.3
154.06209	0.4
163.03897	0.7
163.07558	0.3
167.07034	4.3
175.03960	0.5
177.04002	0.5
177.05469	7.6
178.02644	0.5
179.07018	2.0
181.04956	1.0
181.08588	5.4
182.09373	2.1
191.07037	2.0
192.07838	1.4
202.06226	0.3
207.06529	1.7
209.08099	32.2
210.08858	6.3
213.05519	1.9
227.08214	0.7
229.04741	0.3
230.05882	0.3
241.04962	4.4
242.05783	2.6
255.06555	0.8
258.05264	3.7
269.04538	1.5
270.05246	13.1
271.05737	0.6
273.04150	1.7
273.07382	1.5
284.06949	0.4
285.03943	0.5
286.04742	3.1
287.05493	5.7
299.05618	1.6
301.03418	2.9
301.07074	1.3
302.04211	4.2
311.05496	0.7
313.03641	1.4
314.04285	0.5
315.04996	48.4
316.05725	6.1
329.06561	22.5
330.07159	1.7
331.08127	100.0
332.08496	2.3
373.09314	0.4
379.21912	0.3
489.11697	0.4
509.14334	0.8
521.13879	0.4
557.16455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.2
56.98359	0.2
67.05453	0.4
69.03374	0.6
69.07031	0.2
70.06550	0.7
71.04959	0.2
71.33037	0.4
71.89489	0.2
74.06039	0.3
79.05472	0.2
81.03374	0.6
81.07008	0.5
83.04950	0.2
84.08092	0.3
85.02853	0.6
85.73383	0.2
86.09659	0.3
86.18554	0.2
91.05478	0.9
93.07011	0.4
95.04962	0.4
95.08578	0.3
97.02864	0.4
97.06482	0.4
102.62516	0.2
103.05473	0.3
105.06982	0.5
107.04930	0.3
107.08572	0.4
109.02857	0.5
109.06484	0.2
117.03374	0.3
117.06946	0.2
118.76466	0.2
119.04910	0.5
119.08546	0.4
121.02821	0.3
121.06439	0.3
121.10145	0.2
127.03905	0.4
131.04884	0.4
133.06413	0.2
133.10045	0.3
135.04407	0.2
137.02243	0.2
137.05965	1.0
145.02802	0.4
145.10052	0.3
147.04437	1.2
149.05939	0.6
151.03860	0.7
153.01814	1.2
153.09161	0.2
154.02586	0.2
161.05960	0.2
163.03856	0.7
167.07043	1.0
173.06026	0.3
175.03851	0.7
177.05466	1.2
178.02589	0.5
179.07030	1.0
181.04910	0.7
181.08569	0.4
182.09103	0.2
191.07034	0.9
207.06517	1.3
208.06831	0.2
209.08118	2.5
210.08563	0.4
229.04948	0.3
242.05740	1.8
258.05200	1.8
269.04404	0.2
270.05228	9.3
271.05560	0.2
273.03918	1.1
275.08881	0.2
286.04691	1.4
287.05502	4.0
298.04709	0.3
299.05560	0.9
301.03412	2.8
301.06784	0.3
302.04196	2.9
313.03488	0.8
315.04993	36.5
316.05716	4.5
326.74072	0.2
329.06439	1.7
331.08127	100.0
332.08472	2.3
369.22247	0.2
485.61795	0.2
493.13565	0.4
557.16571	15.3
558.16986	0.7
571.01898	0.2
718.47284	0.7
719.22974	0.6
719.47626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.2
65.03885	0.1
67.05486	0.2
69.03407	0.3
69.81765	0.4
69.82153	0.3
70.06559	0.5
71.04952	0.2
71.35870	0.1
72.08100	0.2
74.06067	0.2
79.05456	0.2
81.03387	0.3
81.07017	0.2
85.02874	0.2
86.09688	0.2
91.05426	0.5
93.07007	0.3
95.04913	0.3
97.02880	0.3
98.20732	0.3
100.63464	0.1
103.05449	0.3
107.04919	0.2
110.07076	0.1
117.03340	0.2
119.04907	0.3
121.02798	0.2
121.06496	0.3
121.10127	0.2
127.03918	0.2
135.04408	0.2
136.01498	0.2
137.05923	0.4
145.02791	0.4
145.06444	0.2
145.10124	0.2
147.04420	0.3
149.05919	0.5
151.03882	0.4
153.01836	1.7
153.09068	0.2
154.02525	0.3
163.03923	0.2
167.07074	0.8
173.13171	0.1
175.03905	0.3
177.05449	0.9
178.02548	0.5
179.07048	0.9
181.04976	0.2
181.08577	0.3
191.07098	0.2
201.05325	0.2
207.06525	0.8
209.08092	3.0
210.08795	0.5
213.05470	0.3
214.06229	0.1
229.04916	0.1
241.04817	0.7
242.05739	2.4
253.04936	0.2
255.02724	0.2
257.04419	0.2
258.05255	2.0
269.04434	0.4
270.05246	11.6
271.05688	0.4
273.03931	1.1
286.04803	1.5
287.05505	5.1
288.06274	0.2
298.04620	0.2
299.05505	1.1
301.03430	2.6
301.06644	0.2
302.04211	3.4
313.03534	1.1
315.04987	44.0
316.05710	5.9
329.06543	2.4
330.07419	0.2
331.08115	100.0
332.08426	2.5
423.11252	0.2
557.16541	29.7
558.16809	1.0
668.92596	0.1
718.47217	0.2
719.20776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26003	0.5
53.03945	0.8
55.01870	0.8
55.05508	1.7
57.03447	1.1
61.02925	5.5
61.85980	0.6
67.05508	4.7
69.03438	4.3
69.07058	1.6
71.04986	1.1
71.60480	0.8
73.02923	3.7
79.05504	3.5
81.03431	1.9
81.07057	7.0
83.08601	1.0
85.02914	5.2
91.03963	3.2
91.05495	2.7
93.07059	3.8
95.04970	0.9
95.08601	3.1
97.02921	3.3
98.65667	0.6
99.04449	1.4
99.19968	0.6
101.02386	2.1
101.92984	0.5
105.07048	2.5
107.08629	2.5
109.02876	0.8
109.10201	1.5
119.08607	2.6
121.10149	1.9
123.11738	0.9
126.39712	0.6
127.03918	1.3
131.08580	0.7
131.85310	0.5
135.11726	0.7
140.00192	0.6
147.11696	1.7
165.12724	0.6
224.88770	0.6
243.08580	1.8
316.50226	0.6
335.25958	0.9
441.20950	6.3
519.29321	5.8
622.28204	3.8
719.43427	100.0
720.43481	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	719.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05513	1.9
57.03434	2.3
61.02666	0.7
61.02934	5.8
64.39168	0.6
65.03931	0.6
67.05512	7.0
69.03440	3.7
69.07073	1.5
69.65371	3.7
71.01355	0.7
71.05007	0.7
73.02927	4.3
79.05499	4.7
81.03432	2.6
81.07057	8.1
83.05028	0.7
83.08624	0.6
85.02905	4.4
91.03956	2.7
91.05480	3.5
93.07066	4.7
95.08609	4.7
97.02898	5.0
97.06537	0.6
99.04461	1.3
101.02408	1.7
103.03941	0.8
105.07030	2.7
107.08616	2.6
109.02911	1.5
109.10155	1.6
115.03957	0.6
117.07010	0.7
117.95309	0.6
119.08585	3.0
121.10169	1.6
123.11732	0.9
127.03947	1.4
131.08589	1.6
133.10123	0.6
135.11708	1.2
145.10176	1.3
147.11713	1.3
154.68184	0.5
160.60452	0.5
223.13148	0.8
227.12819	0.7
243.08514	1.8
441.20804	3.3
447.70099	0.5
519.29425	8.6
719.43439	100.0
720.43713	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	722.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88669	0.3
53.03949	1.5
55.01871	0.7
55.05503	0.4
57.03446	0.6
65.03936	2.9
67.05493	0.5
68.99777	0.4
69.03436	3.5
70.06606	2.2
70.93923	0.7
71.01341	0.4
71.04987	0.5
73.42876	0.3
74.37230	0.3
78.04713	0.9
79.05476	2.4
81.03419	7.5
81.07053	0.8
85.02899	4.0
85.06547	0.4
86.09688	0.8
86.97185	0.3
91.05477	2.6
93.03387	0.4
93.07047	0.8
95.04975	7.7
95.08627	0.4
97.02896	4.3
99.04465	1.1
103.05464	2.8
105.04487	0.4
105.07025	3.5
106.04189	0.9
107.04963	4.4
107.08626	0.5
108.04472	0.9
109.02877	3.2
109.06518	0.5
109.10170	0.5
111.04440	2.5
112.07581	0.4
115.05486	1.0
117.03412	0.8
117.07033	1.3
119.04929	1.7
119.08587	0.4
121.02872	100.0
121.06489	1.2
122.03106	0.7
123.04436	3.5
123.08071	0.8
124.05223	1.8
125.06057	0.4
126.05508	0.5
127.03896	2.8
129.06996	0.7
131.04929	4.1
131.08583	1.0
133.06516	3.2
133.10161	0.5
134.03575	0.4
134.06796	0.4
135.04460	0.7
135.08055	1.1
137.05954	2.3
139.03906	15.0
140.07024	0.4
141.07027	0.4
143.08540	0.5
145.02858	0.9
145.04968	0.8
145.06487	1.4
145.10075	0.7
147.04411	1.8
147.08084	0.5
149.05963	0.7
151.03914	1.4
151.07535	2.8
152.04724	0.9
157.06531	0.4
158.07272	0.8
159.08096	1.4
161.06001	4.9
162.05550	0.4
163.03893	0.7
163.07535	7.6
165.09093	0.6
167.07043	75.3
168.07436	1.0
171.08022	0.4
173.05972	1.4
173.09630	1.1
175.03900	1.6
175.07565	1.7
177.05505	2.7
177.09064	1.9
178.06123	0.7
179.07037	2.3
180.07826	0.4
181.04968	1.0
181.08597	4.4
186.06702	0.4
187.07515	2.1
189.09097	0.8
190.04956	0.7
191.07094	0.5
192.07826	0.7
193.08618	12.1
195.10176	0.4
199.07451	0.4
201.09120	1.8
203.08566	0.5
205.08656	1.7
207.06532	3.1
207.10172	1.1
208.06900	0.7
211.09674	0.7
217.08601	1.0
219.10144	2.0
221.11795	0.8
231.08119	0.7
233.11711	2.8
237.11194	2.1
247.05800	0.6
249.11205	2.2
251.12735	1.0
263.10681	0.6
265.07092	5.8
272.11057	0.4
277.10760	0.5
283.05145	0.7
283.08133	11.5
291.10031	1.1
291.76813	0.4
295.09604	0.4
295.12964	0.5
323.12726	1.2
331.08258	0.4
355.15430	10.2
356.15570	0.5
387.12927	0.6
387.18011	10.3
388.18503	0.6
397.16257	0.6
405.19086	23.3
406.19177	0.5
423.20178	0.5
429.19412	0.7
513.20935	0.5
531.22034	1.0
686.53351	0.5
722.34790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55210	0.8
53.03944	2.7
55.01869	2.4
55.05505	9.5
56.18842	0.9
57.03446	9.2
65.03940	1.3
67.05510	15.0
69.03409	2.4
69.07065	4.0
70.06574	2.2
71.04987	3.0
71.60923	1.9
73.02867	1.4
73.71682	1.2
79.05499	18.5
81.03426	46.2
81.07066	15.6
83.04981	5.8
83.08633	13.1
84.08121	1.3
85.02892	3.7
89.45110	1.0
91.05490	14.7
93.07055	25.3
95.04433	1.5
95.04980	17.2
95.08614	21.6
97.02902	6.3
97.06521	3.4
97.10173	2.0
99.04434	1.0
99.08079	1.3
103.05478	1.3
105.06461	1.2
105.07037	14.0
107.04966	8.5
107.08607	17.4
109.02847	1.6
109.06512	4.2
109.10147	3.4
111.04475	2.2
111.08076	4.3
116.12094	1.0
117.06997	7.1
119.04964	1.6
119.08602	11.5
120.92960	1.2
121.06531	6.7
121.10163	10.3
122.32810	1.1
123.04395	1.2
123.08105	2.5
125.05955	2.5
129.07010	5.6
130.07811	1.3
131.08572	5.4
133.06436	1.5
133.10143	5.4
135.08130	1.1
135.11703	27.9
137.05917	1.3
137.09639	1.2
139.07532	1.4
143.08578	1.2
145.10135	17.1
147.04419	2.4
147.08063	2.4
147.11708	3.5
149.09605	3.7
157.10141	5.4
163.11189	40.0
165.09096	1.3
165.12712	1.2
173.09573	2.5
175.11154	6.2
181.12247	4.4
193.12239	13.4
209.11694	1.2
211.13268	2.0
227.12794	35.2
265.14709	1.1
267.15930	79.5
271.70743	1.1
283.15421	51.8
285.16934	2.2
315.05222	1.4
315.96918	1.1
331.08102	1.7
383.21967	1.7
426.26755	1.1
457.25772	2.7
475.26971	100.0
476.27069	3.3
493.27835	2.7
517.27606	1.7
525.30682	1.9
585.03296	1.1
642.93384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	4.5
55.05517	10.8
57.03181	0.6
57.03439	8.7
59.04983	0.9
65.03941	1.2
67.05161	0.8
67.05511	13.0
67.68915	0.5
69.03419	1.4
69.07078	2.7
71.01329	0.8
71.04984	1.6
71.41595	1.1
73.02930	0.5
79.05048	0.9
79.05498	14.4
81.03423	36.5
81.07063	12.8
83.01353	3.6
83.04986	5.8
83.08627	10.9
85.02913	2.7
85.06538	1.0
91.03880	0.5
91.04948	1.0
91.05482	12.8
92.52050	0.6
93.07049	13.4
95.01326	0.5
95.04977	11.8
95.08616	6.1
97.02871	2.5
97.06529	3.1
97.10162	5.8
99.04465	1.8
104.26820	0.6
105.07032	9.5
107.04972	7.3
107.08607	8.3
109.02917	0.7
109.06514	4.0
109.10167	3.7
110.48034	0.6
111.04485	2.5
111.08077	3.1
115.05486	0.9
117.07037	4.1
119.04967	1.2
119.08585	9.3
119.34464	0.6
121.02887	0.8
121.06516	3.7
121.10165	5.7
123.04406	0.9
123.08067	4.3
125.02370	0.8
125.06012	0.7
125.09645	4.2
129.07008	4.5
130.07747	0.6
131.04924	0.8
131.08569	5.4
133.06503	2.1
133.10147	3.0
135.08061	1.6
135.11710	4.9
137.05983	0.9
137.09639	1.6
143.08578	1.0
145.06506	2.1
145.10126	6.4
147.04391	2.0
147.08055	2.3
147.11740	2.7
149.09663	2.3
153.12767	1.0
155.08563	1.5
157.10185	4.5
159.08113	0.9
159.11633	0.6
161.06017	2.2
161.09590	0.9
163.11191	10.1
165.12743	0.6
168.21815	0.5
171.08055	1.0
173.06076	0.5
173.09613	2.7
175.11208	3.9
177.05463	0.8
181.10081	0.9
181.12270	1.6
185.09605	0.6
189.09218	1.0
189.11278	2.3
191.10664	1.9
193.12256	8.2
195.11671	0.6
197.13162	0.5
205.12332	0.9
209.11765	1.8
211.11320	0.6
211.13222	1.0
213.12770	0.9
225.12836	0.6
227.12752	2.6
229.12314	0.6
231.13823	2.1
235.11172	1.0
243.13982	1.3
249.15034	1.1
265.14493	0.6
267.15927	24.0
268.16196	0.7
273.14835	1.7
283.15436	19.6
289.14413	2.6
301.14536	0.6
337.21628	1.1
355.22781	1.8
365.21201	2.6
373.23969	0.5
383.22214	16.5
401.23325	8.6
419.24316	2.3
421.23630	1.0
431.24286	1.0
439.24884	2.0
457.25879	28.2
458.26385	1.0
475.26965	100.0
476.27124	3.7
493.28027	10.1
517.28186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77484	0.7
53.03955	1.1
55.01871	1.8
55.05513	2.9
56.96571	1.4
57.03439	1.8
61.02931	5.0
65.03982	0.8
67.05507	11.0
69.03445	2.5
69.07070	3.5
70.82036	0.9
71.04994	1.3
71.59521	1.3
73.02928	3.2
78.77837	0.8
79.05490	5.2
81.03427	3.3
81.07071	6.5
83.05010	1.5
83.08638	1.8
85.02909	4.6
88.93765	1.0
91.03988	4.0
91.05488	4.9
93.07040	4.8
95.04987	1.3
95.08618	3.6
97.02895	5.0
97.06529	0.9
101.02392	2.4
105.07041	3.7
107.08592	2.2
108.31073	0.8
109.02898	1.0
109.10173	7.9
111.08115	0.9
117.06988	0.9
118.89649	0.8
119.08639	2.8
120.97987	0.9
121.10196	1.2
127.03934	1.2
129.07100	1.0
131.08588	1.1
133.10139	2.4
145.10187	1.5
147.11742	1.7
149.13264	1.1
151.11150	0.8
159.11787	1.3
173.11821	2.3
229.14479	1.5
243.08495	2.7
344.97806	0.9
413.17877	11.3
485.19925	1.1
543.36847	1.1
551.28406	4.2
625.32385	1.2
694.61102	0.9
723.39313	100.0
724.39911	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	723.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	0.7
55.05505	1.3
57.03433	1.6
57.07079	3.1
57.59778	0.5
59.06131	0.9
61.02941	2.8
67.05511	2.6
69.03437	3.2
69.07059	0.8
69.23421	5.2
69.23831	0.7
71.04990	0.7
71.08640	2.5
73.02915	3.0
79.05510	1.4
81.03414	1.6
81.07043	2.9
83.08631	1.3
85.02912	2.6
85.10190	0.6
91.03973	1.9
91.05474	1.3
93.07055	3.1
95.08606	4.4
97.02913	2.9
97.10171	0.8
99.04462	0.7
101.02395	1.5
105.07044	0.8
107.08630	2.0
109.10172	1.5
114.20779	0.6
117.07014	0.5
119.08622	0.9
121.10144	0.5
127.03953	1.5
135.11673	3.5
142.56483	0.6
145.10208	1.5
148.97412	0.6
157.35789	0.5
163.11221	3.6
181.12270	0.9
219.09895	1.2
227.12839	2.2
243.08484	2.5
247.65999	0.5
249.11018	8.3
255.06934	0.6
265.53638	0.6
305.13672	1.6
313.27399	0.7
313.79547	0.5
319.54703	0.5
467.18964	10.5
497.31058	4.1
611.46790	0.7
723.42865	100.0
724.43250	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	723.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01860	4.6
55.05297	1.7
55.05518	19.1
57.03422	7.6
57.07041	1.9
58.64568	1.5
65.03930	4.2
67.05506	76.2
69.03432	9.0
69.07078	15.0
71.05002	25.7
79.05500	41.1
81.03421	23.0
81.07059	100.0
83.04994	19.7
83.08614	7.6
85.02922	3.2
85.06538	8.3
89.56571	1.9
91.05479	37.0
93.07049	42.3
93.65723	1.7
95.04959	7.1
95.08604	32.2
97.02898	5.7
97.06530	5.8
98.20684	3.1
99.04437	2.3
103.03936	1.9
105.07038	18.0
107.04945	3.9
107.08598	22.2
109.02872	3.8
109.06519	4.3
109.10154	16.3
111.04417	4.4
111.08077	3.7
117.07022	9.5
119.08583	15.5
121.10149	17.3
123.11719	12.6
127.03970	1.8
129.05505	8.7
129.07016	2.7
131.08598	12.0
133.10133	20.8
135.08064	4.5
135.11726	10.5
141.06985	2.7
143.08560	3.2
145.10135	7.9
147.11649	9.8
149.09529	2.7
149.13223	6.3
151.11189	4.0
157.10126	6.5
159.11658	10.2
161.13237	3.1
171.11627	2.4
173.04468	4.9
173.13269	3.5
175.11150	3.7
177.12787	4.2
183.11726	3.0
183.13754	2.7
184.07393	4.3
185.13293	2.8
187.13327	5.9
193.12286	2.2
195.11684	1.9
195.13631	2.0
201.14864	2.2
225.14931	3.4
243.15877	3.2
257.17389	2.3
259.20706	1.8
261.22101	2.4
267.15921	2.9
269.17560	6.5
301.19943	2.6
335.25870	25.4
369.24109	2.6
387.25256	2.5
445.24310	3.1
503.37347	41.1
505.38571	10.9
517.38696	3.9
529.38916	9.1
561.41504	32.9
562.40863	2.2
629.40210	2.4
673.42505	3.5
705.44733	5.9
723.47266	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	723.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.05511	22.2
57.03428	9.4
57.07066	6.0
65.03944	3.3
67.05167	4.6
67.05508	73.4
69.03416	10.1
69.07071	18.8
71.04989	25.7
71.34511	3.6
71.34840	4.6
79.05499	40.5
81.03417	22.4
81.07062	100.0
83.04993	16.9
83.08636	6.2
84.58095	3.1
84.99854	3.2
85.02881	3.6
85.06540	7.9
87.09219	3.7
89.60275	2.7
91.05487	33.0
93.07056	45.5
94.07406	3.1
95.04954	8.0
95.08613	34.8
97.02920	4.5
97.06536	6.6
97.10158	4.2
99.04482	3.3
99.08098	3.1
105.07039	24.4
107.04971	2.8
107.08599	21.3
109.06535	3.7
109.10155	16.7
111.04440	3.5
112.22403	3.0
117.07029	10.5
118.08615	4.6
119.08585	18.2
121.10133	17.8
123.11689	10.1
127.03911	5.5
128.06148	3.3
129.05469	7.7
129.06969	4.2
131.08554	11.2
133.10130	21.9
135.11708	11.0
140.47148	2.8
143.08539	5.2
145.10109	8.3
147.11668	9.2
149.09621	4.9
149.13272	8.5
151.11203	6.7
159.11708	9.6
161.13211	2.9
171.11653	4.2
173.04485	10.2
173.13362	4.7
177.12823	6.3
185.00891	3.4
187.13223	7.7
195.13713	4.1
203.45688	3.1
225.14861	3.6
243.15921	4.4
261.22266	5.0
275.19937	3.8
287.14767	3.4
335.25793	22.3
369.24173	4.9
413.22244	2.8
445.24353	4.8
463.73575	3.3
503.37256	34.9
505.38922	11.0
517.38934	4.9
529.38745	10.5
561.02960	3.0
561.41577	33.0
673.42383	5.0
705.44934	7.1
723.44531	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01869	6.6
55.05510	12.4
57.03448	8.7
57.07084	1.6
58.14341	1.3
61.02918	6.8
65.03951	1.7
67.05506	38.3
69.03440	4.9
69.07066	11.8
70.59250	1.4
71.04994	6.6
71.61254	2.0
72.42408	1.6
73.02924	2.7
74.56074	1.4
79.05496	21.9
81.03414	8.5
81.07062	38.9
81.43420	1.4
83.04977	6.9
83.08609	6.5
85.02921	10.3
85.06537	3.9
91.03959	4.1
91.05491	31.8
93.07050	26.1
95.04994	7.5
95.08601	15.2
97.02892	5.9
97.06535	4.8
97.10174	2.9
98.06010	1.6
99.04484	2.8
105.04563	1.9
105.07041	29.9
107.04959	6.1
107.08588	31.8
109.06514	7.9
109.10165	38.3
110.09357	1.7
111.04487	2.0
111.08066	2.8
113.06023	2.0
117.07008	4.2
119.08578	8.3
121.06538	3.9
121.10143	5.6
123.04417	2.1
123.08064	3.0
123.11699	7.8
125.09650	2.6
129.06960	3.0
131.08586	10.1
133.06468	3.0
133.10136	47.3
135.08058	5.8
135.11688	3.6
137.09641	2.3
143.08577	5.0
145.05013	1.5
145.10103	5.0
147.04367	3.2
147.08035	2.0
147.11726	4.1
149.09604	6.0
151.11185	21.2
155.08585	1.9
159.08034	2.2
159.11697	3.0
161.09634	3.1
163.11237	2.8
169.12198	2.8
175.11206	2.1
177.05536	2.5
177.09076	2.9
179.10591	1.7
195.13739	1.6
207.13800	2.0
215.12788	2.6
245.18967	2.5
253.14375	73.4
254.14795	1.8
269.13776	2.7
271.15436	8.1
273.18542	12.6
283.15384	1.5
285.17087	3.6
291.19638	12.3
309.21121	1.8
347.22314	6.6
365.23267	100.0
366.23566	3.9
383.23972	2.7
495.29144	1.8
527.28760	2.7
688.44073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64872	0.6
53.03929	2.0
55.01874	4.1
55.05516	15.1
57.03442	5.3
61.02929	3.9
65.03928	0.7
67.05158	1.2
67.05505	17.9
69.03438	5.9
69.06716	0.9
69.07074	16.5
70.06594	1.0
71.04990	2.6
71.21345	1.3
73.02908	1.8
77.03934	0.6
79.05500	17.0
81.02965	1.1
81.03417	10.2
81.07056	14.4
81.07521	1.4
83.04980	3.1
83.08623	7.8
85.02905	6.9
85.06523	1.3
91.03957	3.2
91.05480	12.6
93.07047	12.7
95.04976	6.5
95.08609	8.0
97.02892	8.3
97.06504	2.3
97.10173	10.9
99.04459	1.1
99.08083	0.8
105.04491	0.8
105.07032	9.4
107.04951	5.1
107.08600	9.5
109.02872	0.8
109.06521	2.3
109.10152	7.1
111.04458	1.2
111.08083	2.6
115.05456	1.0
117.07017	4.3
119.04900	1.5
119.08582	8.1
120.08948	0.8
121.06499	1.9
121.10149	4.7
121.24689	0.7
123.04449	0.9
123.08086	3.4
123.11729	1.3
125.09630	6.9
127.03911	1.3
128.06216	1.0
129.07021	2.2
131.08575	5.1
133.06502	2.5
133.10138	5.9
135.08031	2.2
135.11684	2.6
137.09645	2.1
143.08572	2.4
145.05005	1.0
145.10136	3.8
146.10429	0.7
147.04402	1.7
147.08025	3.6
147.11694	2.7
149.09618	1.4
151.11188	2.2
153.12740	0.8
157.10136	2.2
159.11690	2.1
161.09618	2.3
161.13304	1.4
161.15817	0.7
163.11208	2.5
165.08989	1.0
167.07088	1.1
169.10153	0.7
171.10201	1.2
171.11548	1.2
173.09578	0.8
173.11845	1.3
173.13277	1.3
175.03922	1.3
175.11192	1.5
175.72995	0.7
177.05486	1.0
184.07391	1.1
189.11235	3.9
189.12715	0.8
193.12248	4.1
203.14214	0.9
205.12256	1.5
211.13327	1.2
223.13298	12.6
227.12762	2.7
237.16438	1.0
245.13873	1.1
249.14839	1.8
253.14404	2.1
267.15942	3.5
271.15454	0.9
273.18451	8.2
283.15509	1.3
285.16946	9.9
291.19540	58.2
292.19836	1.8
347.22379	4.1
365.23245	100.0
366.23468	2.1
429.21646	1.2
459.26706	1.8
475.26917	1.1
476.26773	0.9
477.27731	2.9
491.37369	0.8
509.27695	1.4
527.28046	3.7
562.41370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25255	1.1
53.03942	4.4
55.01862	3.3
55.05291	1.3
55.05512	14.7
57.03440	13.4
62.07145	1.0
63.32754	0.9
65.03925	1.0
67.05169	1.3
67.05508	22.3
69.03419	3.7
69.07059	5.7
70.23548	4.1
71.04983	4.0
77.03940	0.9
79.05488	22.3
81.03418	95.0
81.07056	21.8
83.04987	10.3
83.08618	21.2
85.02911	13.8
85.06531	1.4
85.54435	1.0
85.88837	0.9
91.05481	29.1
93.07040	17.4
95.04970	27.8
95.08608	10.1
97.02876	4.3
97.06519	3.7
97.10185	6.2
98.20756	1.3
99.08082	1.4
105.07026	20.8
107.04965	10.6
107.08588	10.1
109.06513	5.8
109.10152	4.1
111.04446	2.4
111.08068	9.1
113.05968	1.9
115.01114	1.0
115.05434	2.3
117.07008	3.6
119.04948	1.4
119.08576	17.3
121.06477	5.9
121.10155	11.9
123.08049	2.8
125.09647	4.3
128.06250	1.1
129.07014	13.7
131.08575	14.9
133.06477	4.6
133.10109	8.5
135.08052	2.7
135.11696	2.0
137.06004	1.2
137.09651	2.3
141.06990	1.1
142.07745	3.2
143.08542	1.5
145.06493	5.6
145.10094	3.0
147.04369	1.1
147.08049	5.0
147.11697	10.9
149.09631	7.4
155.08463	1.2
157.10123	15.6
159.08084	2.5
163.11183	3.3
165.12770	4.5
171.08020	1.3
175.11162	12.4
183.11559	1.1
189.11182	1.3
193.12231	34.7
195.11662	1.5
205.12209	1.3
209.11687	1.7
211.13255	17.5
223.13257	1.2
227.12645	1.5
229.14346	3.9
233.15459	1.5
249.14886	2.3
255.13847	1.6
267.15915	100.0
268.16260	1.8
273.14859	3.1
283.15259	1.6
285.16934	17.4
331.08170	1.6
332.08447	2.8
339.23068	1.2
341.21152	1.2
349.21698	3.4
357.24432	1.2
367.22684	12.7
385.23651	13.2
403.24683	3.7
415.24750	1.5
433.25864	15.3
441.26349	8.6
459.27429	79.0
460.27692	2.5
477.28476	46.9
478.28836	1.3
491.30020	2.1
509.27252	1.6
519.29718	2.1
735.78705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01865	3.7
55.05511	17.9
57.03223	1.6
57.03441	18.4
57.07064	3.6
57.37304	1.3
61.02912	5.1
64.53646	1.5
65.03941	1.7
67.05504	64.1
69.03422	3.4
69.07065	14.1
69.49211	3.9
69.49636	8.5
71.04996	4.0
79.05493	40.0
81.03418	91.5
81.07056	56.2
83.04966	6.4
83.08628	20.7
85.02893	6.0
89.55762	1.6
91.03943	2.0
91.05483	32.7
93.07046	45.6
95.04966	27.3
95.08611	46.1
97.02904	4.8
97.06533	3.4
97.10189	7.2
105.07030	26.5
107.04952	8.3
107.08595	27.2
109.06480	5.9
109.10143	18.5
111.04441	2.7
111.08051	5.9
115.05499	2.0
117.07030	8.9
119.08588	26.3
121.06467	2.8
121.10143	21.7
123.08064	3.7
123.11700	5.1
125.09651	3.9
129.07013	10.3
131.08575	16.8
133.06467	3.0
133.10124	12.9
135.11710	10.7
137.09579	3.0
142.07771	2.5
143.08556	2.4
145.10133	9.3
147.08040	2.8
147.11671	15.7
149.09605	4.8
149.13278	4.9
149.72232	1.4
157.10127	10.6
159.11691	10.0
161.13231	6.1
163.11147	3.6
163.14835	3.8
165.12778	3.1
171.11685	1.8
173.13203	3.7
175.11156	8.3
175.14899	1.9
176.19417	1.5
187.14824	2.4
189.11206	2.7
193.12248	21.2
198.06256	1.6
220.05438	1.6
227.12675	3.3
235.13269	3.0
243.21071	5.8
249.14827	3.5
261.22098	16.3
267.15900	100.0
277.21652	2.0
301.25211	5.1
309.16928	2.5
317.24582	4.1
335.25803	86.1
360.49576	1.5
435.32803	4.6
453.33557	6.1
464.92859	1.7
527.37329	39.4
544.40619	1.7
545.38367	20.2
569.38245	5.1
595.46838	2.1
724.46033	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01865	3.0
55.05517	26.8
56.96546	2.5
57.03440	26.8
61.02912	7.0
65.03938	4.2
67.05158	4.7
67.05507	73.5
69.03431	7.1
69.07069	14.8
71.04997	4.3
71.60426	3.8
79.05049	3.6
79.05500	56.6
79.86266	2.8
81.03422	100.0
81.07057	83.9
83.04972	7.2
83.08624	26.0
85.02897	5.7
85.06567	2.5
91.05491	47.0
93.07053	59.9
95.04977	34.8
95.08612	47.5
97.02913	5.6
97.06536	5.9
97.10171	6.4
99.04487	3.2
105.04545	3.2
105.07027	33.5
107.04963	8.9
107.08605	31.6
109.06500	5.6
109.10149	29.1
111.08092	8.2
117.07019	10.6
119.08598	29.1
121.06510	5.5
121.10152	29.0
123.04426	3.1
123.08070	3.8
123.11693	9.7
125.09621	7.2
129.06987	11.9
131.08559	20.0
133.06502	5.1
133.10143	16.9
135.08144	4.1
135.11716	18.6
137.09607	3.1
142.07832	4.3
145.10138	12.2
147.04474	4.2
147.11705	18.7
149.09599	9.5
149.13268	10.7
155.08488	3.1
157.10147	12.3
159.11687	10.8
161.13203	5.0
163.11243	6.2
163.14809	6.7
165.12668	2.9
171.11705	4.5
173.13289	6.9
175.11221	7.3
181.12570	2.7
187.14757	4.1
189.11215	4.7
193.12242	21.3
227.12730	6.3
235.13300	4.5
243.21063	6.7
249.63835	3.1
261.22119	17.9
267.15936	97.7
309.16882	4.6
335.25833	97.1
335.29883	5.1
435.32684	5.2
453.33578	9.6
471.34634	5.9
527.30060	3.4
527.37415	50.2
545.38348	23.0
558.40198	3.2
569.38538	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	725.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
57.03416	0.4
61.02923	0.1
67.05494	0.2
69.03435	0.8
69.03733	0.2
70.06579	0.4
71.04640	0.1
71.04996	1.9
71.26598	0.3
72.91228	0.1
73.02918	0.3
79.05477	0.4
81.03413	0.8
81.07040	0.2
83.04968	0.6
84.08128	0.3
85.02428	0.2
85.02908	3.6
87.00803	0.4
89.42446	0.1
91.05501	0.6
93.07030	0.3
95.04956	0.2
95.08572	0.3
97.02866	0.5
97.06526	0.1
99.04459	0.3
105.01846	0.4
105.06993	0.3
107.04978	0.3
107.08605	0.1
109.02882	0.7
111.04416	0.4
118.74918	0.1
119.04916	0.4
119.18732	0.1
121.06464	0.2
121.10093	0.3
123.04429	0.1
127.03921	1.1
129.05478	1.0
129.06976	0.1
131.04929	0.2
131.83856	0.1
133.10161	0.2
135.04424	0.2
137.02365	0.1
137.05952	0.3
141.07021	0.1
145.02856	0.3
145.04967	0.3
147.04422	0.9
147.06657	0.1
149.05972	0.2
151.03870	0.3
151.07527	0.2
153.01817	0.6
153.05463	0.1
154.02577	0.2
159.02914	0.3
163.03859	0.3
167.07080	0.6
171.06519	0.1
175.03917	0.5
177.05460	0.9
178.02637	0.4
179.07077	0.2
181.04932	0.4
189.03915	0.1
191.07025	0.2
193.08475	0.2
196.91216	0.1
201.05377	0.2
205.04840	0.2
207.06538	0.8
213.03864	0.2
231.04994	0.2
235.43047	0.1
242.05717	1.6
245.08089	0.2
249.39989	0.1
258.05261	1.3
269.04587	0.1
270.05246	7.4
271.05579	0.3
273.03891	1.1
273.06296	0.1
285.03693	0.1
286.04712	0.9
287.05505	3.4
288.06537	0.1
299.05530	0.5
301.03384	2.1
302.04227	2.4
313.03308	0.8
315.04987	29.8
316.05710	4.0
316.08823	0.1
331.08115	100.0
332.08481	2.2
373.09357	0.3
494.38531	0.1
519.91528	0.1
535.14276	0.1
579.13617	0.8
639.19202	0.5
725.18713	1.3
725.39996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01863	1.7
55.05260	0.9
55.05515	13.6
55.69492	0.9
57.03440	12.9
57.07086	2.2
61.02940	2.3
63.32670	0.9
65.03947	2.3
67.05511	65.2
69.03461	1.1
69.07070	20.2
70.72446	2.7
71.04983	2.3
75.08091	0.8
79.05500	39.1
80.05914	0.9
81.03427	1.3
81.07063	74.3
81.52116	1.0
83.04997	4.9
83.08628	11.9
85.02903	2.6
85.06541	2.6
91.03961	1.1
91.05485	20.0
93.07055	54.7
95.04966	4.8
95.08614	34.9
95.49817	0.9
96.08939	0.9
97.02892	1.2
97.06545	9.3
97.10153	2.0
99.08117	1.5
105.07043	10.7
107.07850	1.5
107.08598	29.5
109.06541	2.5
109.10166	11.0
111.08090	6.4
111.10326	1.0
117.07040	8.1
119.08611	7.9
121.10155	23.1
123.08086	1.3
123.11732	2.6
124.60616	1.0
131.08559	10.8
133.10135	8.3
135.08087	2.1
135.11697	12.3
139.11148	1.3
145.10152	5.0
147.11690	5.0
149.09584	1.1
149.13274	26.5
159.11707	10.2
161.13292	1.5
163.14839	2.7
173.13248	3.3
177.12753	5.1
177.16432	1.0
187.14856	1.9
195.13824	10.4
201.16461	1.2
213.14755	1.0
230.64740	1.0
243.21130	3.9
261.22131	7.5
267.15909	1.8
269.17496	88.4
270.17758	1.9
317.24677	3.2
335.25824	63.0
336.26193	2.3
437.33859	1.3
455.35199	1.4
511.37668	1.5
529.38910	100.0
530.39398	6.1
547.39984	1.9
548.80780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
57.03430	0.7
61.02914	0.8
67.05521	1.0
69.03428	1.9
70.06599	2.9
71.04981	1.0
71.60236	0.7
72.08151	0.9
79.05493	1.0
81.03415	1.9
81.07050	1.3
84.08160	0.9
85.02918	1.6
86.09731	0.9
91.05485	2.7
93.03467	0.5
93.07065	1.1
95.04976	0.9
95.08611	1.0
97.02911	1.5
98.97592	0.9
103.05493	0.7
105.07037	1.4
107.04950	0.6
107.08596	1.4
109.02886	0.9
109.10130	0.6
111.04313	0.8
115.05432	0.6
117.03423	0.6
118.08638	1.1
119.04950	3.2
121.02882	1.2
123.04477	0.7
127.03949	1.7
131.04950	1.4
133.06500	1.5
133.10149	0.7
135.04456	0.9
137.05951	2.8
145.02838	1.2
145.06480	0.9
147.04402	5.1
151.03931	2.5
151.05054	0.8
161.06009	1.4
163.03889	1.6
167.07011	3.2
169.04900	0.6
175.03900	2.9
177.05478	3.2
179.07109	1.0
181.04973	0.9
189.05232	35.5
190.06035	3.3
191.07030	1.2
193.08556	0.7
207.06522	7.4
207.08052	0.6
209.08199	0.7
270.05463	0.6
300.64682	0.7
315.04922	0.6
331.08154	2.0
332.08569	1.6
333.08786	1.2
383.11478	0.8
429.15250	4.5
444.17593	1.9
445.18301	9.1
446.18054	0.8
727.25714	100.0
728.26202	4.9
747.11060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05514	1.8
57.03431	1.8
59.04998	1.4
60.60358	0.7
61.02930	4.2
67.05515	5.4
69.03442	4.8
69.07061	2.3
71.04993	1.8
71.60975	1.2
73.02915	3.0
79.05485	4.4
81.03422	6.0
81.07066	6.9
83.04977	1.4
83.08619	2.1
85.02909	5.0
85.16269	0.7
87.00805	0.7
91.03967	2.7
91.05486	6.3
93.07037	5.9
93.87392	0.7
95.04990	2.4
95.08602	5.0
97.02905	3.9
97.06541	2.9
97.10173	0.9
99.04468	1.4
101.02393	1.6
105.07044	3.2
107.04964	2.4
107.08598	3.2
109.02905	1.4
109.06548	1.2
109.10152	1.4
111.04495	0.9
117.07018	1.2
119.05013	1.5
119.08620	2.7
121.10162	2.4
123.08086	0.8
123.11718	0.8
127.03948	2.3
129.07082	1.0
131.08583	2.1
133.06509	1.2
133.10135	2.1
134.18045	0.7
135.08095	0.6
135.11696	2.4
145.10144	2.5
147.04410	5.7
147.11714	1.7
149.09657	1.7
157.10083	1.3
163.11183	3.5
165.09175	1.6
167.07108	2.4
175.11205	1.5
177.05473	0.8
181.04987	1.3
193.12256	1.4
195.06589	2.0
207.06625	1.7
219.09927	1.1
223.09671	0.9
227.12872	2.4
237.11200	1.4
243.08490	2.1
245.08098	1.4
249.10970	7.3
283.15320	2.3
305.13718	2.5
324.55243	0.9
339.17731	0.8
386.22937	0.8
405.26416	4.6
443.31693	2.6
461.32669	1.9
462.29108	1.6
467.18884	10.5
469.20352	1.2
479.13403	3.8
479.33835	0.9
501.23090	13.3
709.37024	0.8
727.35107	100.0
728.35461	5.4
745.62720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.4
53.03939	0.8
55.01873	0.8
55.05511	1.7
57.03436	1.9
59.04999	0.7
61.02929	5.2
63.15535	0.4
65.03960	0.4
67.05522	2.8
69.03437	3.0
69.07075	0.7
70.23264	1.4
71.05007	1.5
72.56808	0.5
73.02914	3.2
79.05490	3.2
81.03420	4.8
81.07063	3.1
83.05017	1.0
83.08615	2.1
85.02907	4.4
91.03976	2.8
91.05489	3.5
93.07050	2.9
95.04974	1.7
95.08617	1.8
97.02899	5.1
97.06519	1.0
99.04472	1.2
101.02399	1.8
105.07030	2.5
107.04969	1.3
107.08619	1.9
109.02861	0.6
109.06488	0.8
109.10145	0.8
111.08099	0.8
117.07036	0.4
119.04960	0.5
119.08557	2.2
121.10162	2.6
122.16481	0.5
123.08067	0.5
127.03954	1.5
129.06998	1.4
131.08614	1.4
133.10147	1.7
135.11757	1.1
145.06465	0.5
145.10161	1.6
147.04402	2.1
147.11711	1.3
149.09654	2.3
155.08594	0.5
157.10141	0.7
160.71809	0.4
163.11157	2.3
165.09189	0.5
167.07028	0.4
175.11264	0.5
181.05106	0.4
181.12241	0.6
184.89630	0.4
193.12315	1.2
194.97925	0.4
203.05347	0.6
226.81302	0.4
243.08434	2.3
245.08261	1.2
249.11310	0.5
267.15942	0.8
283.15247	3.5
327.68973	0.4
339.18030	0.6
448.28107	0.6
464.17026	0.5
467.18994	7.9
501.23184	8.9
613.66156	0.5
657.80280	0.5
727.35138	100.0
728.35468	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	728.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01875	3.4
55.05522	10.8
56.09351	1.2
57.03440	6.3
67.05511	46.3
69.03429	3.4
69.07070	12.3
69.23998	5.0
69.24421	8.9
69.32014	1.3
71.04994	3.7
77.74182	1.2
79.05497	25.0
81.03412	2.4
81.07061	43.6
83.04970	5.4
83.08610	2.9
85.02901	2.2
85.06550	4.2
91.05480	31.9
92.05798	1.3
93.07046	29.6
95.04963	6.2
95.08612	17.3
97.02892	1.8
97.06532	4.1
99.04467	1.3
105.07039	27.2
107.04924	1.6
107.08605	29.1
109.06530	2.9
109.10160	46.1
111.08014	1.6
113.06013	2.5
115.07456	1.3
117.07024	4.5
119.08582	7.8
121.10155	10.3
123.11737	11.4
125.09561	1.7
127.07583	2.2
131.08569	5.9
133.10141	47.2
135.08043	1.7
135.11690	7.0
145.10117	2.9
147.11699	2.5
149.13243	3.8
151.10062	2.5
151.11179	23.6
157.03119	1.6
159.11765	1.9
161.09657	2.3
161.13290	3.2
163.14813	2.2
169.12250	4.1
169.13692	1.5
173.13261	2.1
175.14935	1.8
215.12776	2.0
243.21140	3.4
253.14363	100.0
254.14658	2.7
261.22156	11.3
271.15433	27.9
317.24899	1.9
335.25775	47.1
336.25763	1.3
361.77896	1.7
363.00775	1.3
439.52213	1.6
457.33456	1.8
513.35718	5.5
531.36884	50.1
532.37061	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	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01874	4.4
55.05518	10.2
57.03438	9.9
57.07058	1.5
61.02926	1.9
67.05506	47.7
68.41139	1.3
69.03430	3.7
69.07073	13.2
69.85466	1.3
71.04984	3.8
79.05497	24.6
81.03418	3.5
81.06570	2.4
81.07059	40.2
81.25331	1.3
83.04985	4.0
83.08620	4.0
85.02894	1.9
85.06560	4.1
87.04517	1.4
90.62753	1.3
91.04945	2.5
91.05485	29.2
93.07050	26.5
95.04992	4.7
95.08609	19.4
97.02895	2.4
97.06525	3.8
97.10178	2.3
99.04458	2.2
105.07029	23.8
107.08594	26.2
109.06503	3.9
109.10161	43.1
111.08085	1.5
113.06068	1.4
117.07024	2.9
119.08540	7.1
121.10124	8.6
123.08027	2.6
123.11703	8.3
125.09604	2.1
131.08563	4.4
133.10136	53.2
135.11700	4.5
145.10147	4.4
147.11714	2.1
149.13264	4.1
151.11169	21.6
159.11707	2.5
161.09651	3.0
161.13260	2.3
163.11188	1.5
163.14850	2.0
169.12259	4.8
209.23695	1.5
243.21277	2.8
253.14369	100.0
261.22220	11.1
271.15399	29.5
271.18082	2.5
302.31433	1.7
335.25781	32.5
353.61954	1.4
457.32767	1.9
504.12823	1.6
513.35400	6.6
531.29614	1.4
531.36792	36.2
532.37555	1.6
697.03308	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	728.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01864	2.3
55.05520	21.5
57.03447	14.6
57.07075	2.9
61.02927	2.8
65.03973	3.5
67.05509	58.7
69.03434	2.4
69.07068	20.6
69.32832	13.6
71.04984	7.9
73.54453	1.6
75.79491	1.6
79.05496	39.8
81.07060	72.2
83.04996	3.7
83.08627	10.3
85.02904	2.1
85.06548	4.4
91.05482	24.1
93.07053	44.8
95.05000	3.4
95.08612	70.8
97.06526	9.2
97.10201	4.2
98.20683	3.3
99.08089	2.7
105.07046	24.0
107.08597	19.3
109.06527	1.7
109.10160	19.8
111.08099	4.2
117.07028	3.5
119.08585	23.3
121.10167	17.8
123.08068	3.3
123.11718	4.8
125.09597	2.0
131.08572	7.6
133.10147	15.7
135.11725	14.9
137.09633	2.2
137.13280	4.1
145.10141	5.8
147.11699	4.4
149.13271	4.1
159.11717	4.2
161.13260	22.8
163.14827	3.7
171.37871	1.6
173.13255	3.2
175.14888	2.6
179.14305	15.3
187.14816	2.1
215.12755	2.7
243.21048	4.0
253.18015	19.6
261.22183	12.8
271.15515	5.6
271.19040	38.6
271.21875	2.6
279.23251	1.7
335.25818	100.0
336.26166	2.4
337.27606	2.3
353.26971	2.0
457.36865	4.8
513.39386	6.7
531.40631	50.1
532.40747	2.9
549.41827	1.8
729.41437	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	728.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
53.72323	1.0
55.01869	2.1
55.05513	13.3
57.03439	8.9
57.07078	1.8
61.02912	1.9
61.75321	1.1
63.13900	1.2
65.03951	1.8
67.05165	2.0
67.05508	34.1
69.03443	3.0
69.07066	13.6
71.04986	5.3
79.05494	21.4
81.03416	5.1
81.07060	47.6
82.13074	1.0
83.04975	4.1
83.08613	7.7
85.02899	5.0
85.06538	5.5
91.05482	19.7
93.07043	23.3
95.04988	6.6
95.08611	42.7
95.09240	2.2
97.02899	1.9
97.06531	7.1
97.10178	2.7
99.04480	2.3
99.08116	3.1
105.07038	17.4
107.04993	1.2
107.08602	10.9
109.02904	1.1
109.06542	3.2
109.10165	9.7
111.08141	2.4
111.11726	1.2
117.06995	5.6
119.08582	15.2
121.06537	1.2
121.10149	10.5
123.08062	4.1
123.11714	2.3
125.09663	1.4
129.07028	1.7
131.08577	4.6
131.62349	1.1
133.06386	1.2
133.10132	12.3
135.11694	9.4
137.09602	2.3
137.13266	2.5
139.11214	1.5
143.08621	1.7
145.10132	3.6
147.11745	1.6
149.13248	1.9
151.11208	2.1
159.11736	2.4
161.09624	3.0
161.13272	18.7
163.14886	1.2
169.10153	2.0
171.11627	1.6
173.13319	2.0
179.10745	1.8
179.14336	15.5
187.14833	1.4
197.11751	2.2
197.15337	2.1
218.41927	1.4
229.19170	1.3
241.19624	1.2
243.21149	1.2
253.14284	1.5
253.18040	5.4
261.22244	6.2
271.15543	14.7
271.19028	100.0
272.19391	1.9
298.46243	1.3
315.23093	1.5
335.25821	24.1
341.19611	1.4
423.27319	2.0
441.71085	1.2
489.35559	1.6
513.35510	1.9
531.36761	10.6
635.94177	1.2
690.25946	1.3
729.43018	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	729.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51212	0.8
52.54401	0.7
52.66196	0.8
56.96564	0.8
57.03464	0.8
61.02916	1.0
64.97559	0.7
67.05499	2.1
69.03465	1.4
70.06591	1.8
70.40583	2.6
73.02882	1.1
79.05492	2.1
81.07059	1.6
82.72116	0.7
83.01134	0.8
85.02911	1.7
86.09734	0.8
90.61632	0.8
91.03925	0.8
91.05489	3.0
93.07066	1.4
95.04993	1.0
95.08607	1.4
97.02900	1.4
105.07061	1.4
107.08617	1.6
109.06565	1.1
109.10144	1.1
111.04441	1.0
119.04941	1.8
119.08602	1.0
121.10153	1.8
127.03930	1.2
131.08662	0.8
133.10170	1.1
135.08081	0.9
135.11777	0.8
137.05986	1.1
145.02835	1.0
147.04428	3.3
157.10158	0.8
167.07051	1.7
177.05495	0.9
181.05009	0.9
184.07623	0.8
197.47876	0.8
201.03763	0.9
203.05315	1.8
207.06624	1.3
235.06992	0.9
259.07889	4.1
331.10098	1.0
331.18323	0.9
347.09610	1.4
365.10590	3.8
405.22580	2.4
421.13071	1.9
469.20230	2.9
493.15131	0.9
497.63025	0.8
527.51483	0.8
535.20282	0.9
567.27716	14.0
603.57452	0.8
682.29077	1.1
696.68127	0.8
715.45514	0.9
729.33234	100.0
730.33264	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	729.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01854	0.5
55.05515	1.3
57.03436	1.9
59.05007	0.6
61.02935	4.4
67.05505	2.6
69.03432	3.2
69.07072	1.3
70.23187	1.8
71.01359	0.5
71.05000	1.3
73.02916	2.7
79.05492	3.0
80.76059	0.4
81.91096	0.4
83.04996	1.0
83.08631	1.5
85.02905	4.9
85.06578	0.4
91.03959	1.7
91.05473	4.3
93.07064	2.1
93.32169	0.4
95.04956	2.5
95.08627	1.6
97.02911	3.8
97.06542	1.0
99.04450	0.8
101.02403	1.5
103.03960	0.6
105.07051	2.4
107.04993	0.5
107.08626	1.5
109.02901	0.8
109.06525	0.7
109.10159	0.9
111.08099	0.9
115.05450	0.6
117.07024	0.5
117.09497	0.4
119.08573	2.0
121.06535	0.6
121.10150	2.3
127.03923	1.2
129.07031	1.0
130.45583	0.4
130.54077	0.4
131.08615	1.3
133.06471	0.5
133.10165	1.6
135.07988	0.5
145.05002	0.6
147.04440	0.7
147.11728	1.9
149.09624	2.0
157.10187	1.4
167.07104	0.7
171.18436	0.4
175.11250	1.3
185.04245	0.8
193.12274	2.4
211.13333	0.7
225.14883	0.7
239.32446	0.5
243.08415	2.5
251.12578	0.7
267.16153	0.8
283.15164	2.6
295.15231	0.4
307.15445	0.7
308.60342	0.4
336.73221	0.5
339.17804	0.7
416.32501	0.4
443.47455	0.4
469.20499	9.9
501.23114	9.3
528.06415	0.5
639.30316	0.8
657.31567	0.7
729.36700	100.0
730.37134	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	730.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	28.7
57.03446	13.2
57.07063	10.9
64.58218	7.5
67.05505	63.8
69.07059	26.3
71.05002	11.8
71.61208	7.2
73.09584	5.4
79.05494	23.0
81.07054	68.9
83.08610	26.5
91.05480	20.9
93.07046	34.8
95.08612	90.4
97.06529	13.2
97.10155	10.8
99.04395	6.5
99.08134	7.5
105.07035	16.5
107.08588	17.7
109.10152	21.0
111.84005	5.9
119.08576	18.6
121.10136	13.6
123.11673	12.2
133.10129	9.4
135.11705	12.3
137.09619	7.8
142.46260	7.3
149.04054	6.3
149.13225	7.3
161.13271	12.9
162.26573	6.3
172.23642	6.6
175.14938	6.3
179.14275	18.7
194.05264	6.1
232.07220	5.6
238.51830	5.8
240.17656	5.8
253.17963	22.2
271.15714	6.8
271.18967	30.3
337.27371	100.0
446.74820	7.2
533.42078	58.9
730.44421	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	730.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.0
55.20688	0.5
57.03453	0.5
57.07080	28.5
57.96774	0.5
58.76772	0.5
59.05008	0.8
59.77241	0.5
67.05509	1.8
67.71452	0.5
69.07072	4.8
69.53727	4.2
71.08636	30.4
73.02908	1.0
73.06561	8.5
79.05495	0.9
81.07056	1.9
81.96075	0.5
83.08627	5.0
85.09795	0.4
85.10186	17.6
87.04476	10.8
89.06037	100.0
90.03070	0.5
91.05488	1.0
91.07591	1.1
93.07027	0.6
95.08608	2.0
95.40003	0.5
95.45040	0.5
97.10170	7.2
99.11750	2.0
105.07040	0.6
107.07078	2.1
107.08613	1.0
109.10147	1.2
111.11726	3.4
113.06032	0.6
113.13284	2.0
117.09139	7.6
123.08056	0.6
125.13268	1.4
127.14841	1.0
130.08656	2.8
131.07080	3.0
133.08611	54.8
134.98134	0.8
141.16412	1.3
155.18030	0.9
161.11751	2.2
175.09698	2.2
176.39130	0.5
177.11240	19.9
211.24232	2.4
219.12392	0.6
221.13818	4.0
223.15300	0.7
239.15085	0.9
255.26889	1.6
265.16626	1.3
283.17422	1.2
299.29413	5.4
299.32138	0.6
309.19131	0.9
327.20288	1.0
343.32196	3.1
408.22778	0.5
444.11215	0.5
472.88129	0.6
503.30591	1.2
618.45654	0.9
713.54456	2.6
730.43335	1.1
730.56232	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	731.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
56.30753	0.4
56.96548	0.8
61.02928	0.5
69.03404	1.3
70.06596	0.9
71.60580	0.6
73.02905	0.5
78.85012	0.4
79.05500	0.4
81.03428	0.5
84.08138	0.6
84.96016	0.4
85.02888	1.7
87.04466	0.6
89.03924	2.3
93.07052	0.5
95.04994	0.9
97.02892	1.0
98.06087	0.8
98.97569	1.6
107.04932	0.7
117.03400	2.2
119.04949	0.5
121.02872	1.0
127.03983	0.4
135.04422	4.0
136.04767	0.5
137.05956	0.8
145.02805	2.9
146.99535	0.6
147.04379	1.3
161.01187	0.7
163.03917	25.2
164.04225	2.6
165.04298	0.6
167.07028	0.7
177.00801	0.5
177.05490	0.7
179.03255	0.6
181.05090	0.6
185.02092	1.5
187.06267	0.4
189.00758	0.6
197.04262	1.4
215.05289	4.0
216.09682	0.4
221.02982	1.4
241.03841	0.7
271.04596	0.5
273.02805	0.5
310.07779	0.4
359.07245	1.4
377.08438	100.0
378.08783	2.7
389.23532	0.6
393.26782	0.4
395.08215	0.6
557.12329	1.0
687.32697	0.6
713.16473	0.8
731.17682	8.7
732.18616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	1.5
65.03951	2.6
67.05512	1.7
68.99803	0.8
69.03439	1.9
69.57641	0.3
70.06586	1.0
71.59953	0.3
72.08159	0.4
77.03931	0.5
79.05484	0.4
81.03423	5.1
81.07032	0.3
84.08138	0.6
85.02910	2.9
86.09727	0.6
88.76371	0.4
89.03922	0.5
91.05456	0.7
93.03407	1.9
93.07056	0.4
95.04967	1.3
96.16277	0.3
97.02897	1.1
98.97563	0.4
99.04483	0.9
103.05441	0.5
105.07047	0.8
107.04985	0.8
107.08611	0.4
108.02092	2.5
109.02876	2.6
110.07120	0.4
111.04433	2.3
119.04948	0.5
121.02883	2.5
121.06477	0.3
123.04447	0.5
125.06011	1.3
127.03915	1.2
133.02838	0.4
133.06522	0.5
135.04453	1.9
137.02353	4.7
137.03389	0.6
137.05974	0.8
141.01848	0.8
141.05473	1.8
145.02838	0.8
147.04399	1.1
149.02350	0.7
151.03917	100.0
151.04988	6.3
152.04285	1.5
161.02325	1.7
163.03873	1.7
165.01822	5.5
167.03426	1.0
167.07069	1.1
169.04979	3.3
175.03958	1.6
177.05493	1.3
179.03435	2.2
181.04968	1.0
183.02916	2.0
185.07111	0.6
187.03868	0.5
189.01778	0.5
191.03421	1.1
191.07097	0.4
195.02888	0.9
203.03360	1.7
207.02914	0.5
207.06558	1.5
221.04488	0.6
231.03137	0.4
231.07645	1.0
245.04565	1.0
247.02361	0.4
249.04041	0.4
264.86505	0.3
272.06741	0.4
283.06024	2.5
285.07974	0.5
286.04846	0.9
287.05484	3.8
295.05243	0.4
295.08371	4.5
297.07538	4.6
299.05521	31.3
300.06143	3.5
301.07117	0.4
309.07596	2.0
310.04843	0.5
311.05484	5.3
311.08890	0.6
313.06512	4.1
321.07724	0.7
323.05423	1.6
324.06369	0.5
325.03552	0.7
325.07053	13.7
326.07553	0.8
327.08539	1.9
329.06577	16.5
330.07010	0.4
337.07056	16.6
338.07312	0.7
339.08606	0.4
341.06668	3.5
353.06570	18.8
354.07043	0.7
355.08066	1.8
365.06567	16.0
366.07047	0.6
383.07623	23.9
384.08109	0.7
395.07861	0.6
401.08722	4.0
431.09518	0.4
545.13080	0.4
581.12854	0.5
611.13995	7.4
612.13947	0.5
641.15088	3.4
665.14966	10.5
666.15479	0.8
677.14233	0.5
695.16071	21.9
696.16144	0.7
713.17175	9.9
714.17426	0.5
731.18280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
57.35900	0.3
57.36228	0.4
59.24664	0.5
67.05508	1.3
69.03431	0.9
69.07077	0.5
69.51917	3.3
70.06587	1.0
71.61599	0.5
79.05508	1.0
81.03423	1.2
81.07062	1.7
81.93634	0.4
85.02900	1.5
91.05484	1.7
93.07072	0.9
95.04987	0.8
95.08616	1.3
97.02917	0.5
97.06548	0.5
98.21481	0.9
99.04472	0.5
105.07070	1.2
107.08644	0.9
109.02901	1.7
109.10175	1.0
117.07088	0.6
119.04971	0.9
119.08578	0.9
121.10180	0.6
127.03918	1.0
133.10156	0.5
135.11703	0.5
137.05978	0.7
142.07735	0.6
145.02899	0.7
147.04465	0.9
167.07095	1.0
173.13309	0.6
175.03929	0.8
177.05507	1.2
181.04932	0.7
185.04234	1.3
203.05357	1.7
207.06583	1.1
259.07941	2.1
333.20523	0.7
347.09613	1.3
365.10629	3.3
407.23804	2.0
421.13293	1.4
457.20517	4.5
471.22073	5.1
487.21683	1.3
569.29333	14.6
570.30078	0.6
619.25610	0.9
633.27472	2.5
641.31409	1.0
731.34668	100.0
732.34991	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	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
57.35900	0.3
57.36228	0.4
59.24664	0.5
67.05508	1.3
69.03431	0.9
69.07077	0.5
69.51917	3.3
70.06587	1.0
71.61599	0.5
79.05508	1.0
81.03423	1.2
81.07062	1.7
81.93634	0.4
85.02900	1.5
91.05484	1.7
93.07072	0.9
95.04987	0.8
95.08616	1.3
97.02917	0.5
97.06548	0.5
98.21481	0.9
99.04472	0.5
105.07070	1.2
107.08644	0.9
109.02901	1.7
109.10175	1.0
117.07088	0.6
119.04971	0.9
119.08578	0.9
121.10180	0.6
127.03918	1.0
133.10156	0.5
135.11703	0.5
137.05978	0.7
142.07735	0.6
145.02899	0.7
147.04465	0.9
167.07095	1.0
173.13309	0.6
175.03929	0.8
177.05507	1.2
181.04932	0.7
185.04234	1.3
203.05357	1.7
207.06583	1.1
259.07941	2.1
333.20523	0.7
347.09613	1.3
365.10629	3.3
407.23804	2.0
421.13293	1.4
457.20517	4.5
471.22073	5.1
487.21683	1.3
569.29333	14.6
570.30078	0.6
619.25610	0.9
633.27472	2.5
641.31409	1.0
731.34668	100.0
732.34991	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	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01869	0.4
55.05510	1.6
57.03443	2.6
60.84128	0.3
61.02933	6.7
67.05508	6.8
69.03432	3.9
69.07071	1.9
69.24097	0.6
69.24496	2.4
71.01360	0.5
71.04990	0.7
73.02917	4.8
79.05503	4.4
80.59545	0.3
81.03429	2.0
81.07064	7.9
83.08623	0.9
84.33034	0.3
84.85936	0.4
85.02904	5.7
85.06517	0.3
87.04464	0.6
91.03970	3.9
91.05483	2.5
93.07052	5.9
95.04968	0.5
95.08613	4.0
97.02903	6.0
97.06532	0.6
99.04456	1.0
100.09531	0.3
100.98792	0.4
101.02389	2.5
105.07042	1.5
107.08605	3.2
109.02894	1.1
109.06513	0.3
109.10182	1.5
111.08073	0.8
112.63605	0.3
114.65729	0.4
115.03912	0.4
117.07027	0.6
119.08585	0.9
121.06506	0.3
121.10164	2.2
123.11754	0.6
127.03930	1.7
131.08614	0.9
133.10147	1.2
135.11719	0.9
145.04944	0.4
145.10194	0.7
147.11720	0.5
149.13243	1.5
159.11725	1.0
163.14799	0.4
173.13351	0.4
175.14844	0.3
185.04266	0.5
203.05272	0.4
235.13107	1.3
243.08392	2.3
335.25839	0.7
339.97266	0.3
453.20978	4.2
519.29376	8.9
520.29596	0.4
542.40021	0.3
560.95020	0.4
731.43427	100.0
732.43677	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	733.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
54.75379	0.3
55.01881	0.4
55.05518	1.4
57.03445	2.4
59.06132	0.6
59.50084	0.3
60.73374	0.3
61.02932	6.6
65.03942	0.3
67.05510	5.6
67.51834	0.3
69.03430	3.8
69.07067	1.6
71.01366	0.6
71.05000	0.9
73.02921	4.7
79.05505	3.5
81.03433	1.5
81.07062	6.9
82.07413	0.3
83.04988	0.6
83.08621	1.2
85.02911	5.7
87.04478	0.6
87.16299	0.3
91.03968	3.3
91.05496	3.0
93.07057	4.7
95.04925	0.3
95.08617	7.1
95.09222	0.4
97.02902	5.7
97.06548	0.8
97.10152	0.4
98.21512	0.7
99.04469	1.0
101.02396	2.3
103.03954	0.4
105.07040	1.9
107.08601	2.3
109.02892	0.8
109.06625	0.3
109.10182	1.9
113.47659	0.3
115.03960	0.5
117.06979	0.3
119.08603	1.6
121.10140	1.4
123.11754	0.3
127.03925	2.1
131.08591	0.7
133.10181	1.3
135.11751	1.3
145.04980	0.3
145.10159	0.5
147.11771	0.5
149.13271	0.6
159.11690	0.4
161.13330	1.1
167.08458	0.3
182.55711	0.3
185.04239	0.4
203.05391	0.5
237.14696	0.4
237.18312	0.4
243.08548	2.0
259.58707	0.3
273.87372	0.3
327.60513	0.3
328.56290	0.3
335.26004	1.0
385.92459	0.3
394.56213	0.4
428.94443	0.3
455.22580	3.9
519.29291	9.6
520.29749	0.4
733.45001	100.0
734.45245	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	734.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.27390	1.0
55.01875	7.7
56.96563	1.8
57.03424	2.5
67.05495	1.2
67.14223	1.1
68.05026	1.3
69.03437	3.0
70.06595	54.1
70.22880	1.1
71.60236	1.5
74.06078	1.6
79.05489	2.5
81.03420	3.3
81.07052	1.9
84.04495	2.1
85.02916	5.6
86.09746	2.2
91.05492	3.6
93.03433	1.7
93.07044	1.9
95.04970	2.2
96.04491	27.3
97.02908	2.8
103.05470	1.2
105.07036	2.8
106.04147	1.1
107.04955	3.4
109.02873	3.6
110.07188	1.4
111.86920	1.1
114.05531	49.3
114.28738	1.1
117.07044	1.3
119.04953	5.4
119.08594	1.2
121.02863	16.9
121.06499	2.8
122.06030	4.1
123.04464	1.6
124.07536	1.3
127.03925	2.5
131.04935	1.6
137.05960	1.4
145.02852	4.2
147.04483	2.5
149.06006	3.3
159.87706	1.2
160.07570	1.3
161.05968	3.1
163.03925	2.6
167.07001	4.4
173.06050	1.8
175.03925	4.4
177.05493	4.9
181.04996	3.2
181.08673	1.4
185.05928	1.8
187.03961	2.2
191.03421	6.6
193.04886	2.7
193.08641	1.7
201.05484	4.0
203.03394	16.7
205.05029	2.7
207.06528	5.2
209.04550	1.9
209.08076	2.3
213.05504	2.7
217.05025	2.4
219.06554	3.7
221.04480	5.5
225.05583	2.5
229.04991	4.2
231.06651	2.4
232.11804	3.1
233.04454	1.3
243.06433	1.3
255.06644	1.6
269.04489	2.0
279.06213	2.1
280.07346	1.5
281.04492	1.7
293.08179	4.3
295.05765	1.3
296.06686	2.3
297.07596	3.0
305.08176	1.9
307.05936	3.6
307.09656	3.8
308.06784	7.7
309.07590	80.7
310.08173	2.5
319.09528	1.8
321.07584	100.0
322.08057	5.3
323.09024	3.8
331.09390	1.9
333.07523	5.6
335.05603	2.4
335.09116	14.0
336.15704	1.4
339.08621	42.3
343.09705	2.0
347.09189	24.8
349.07040	2.0
349.10684	10.2
351.08627	37.2
352.09238	1.4
359.09180	3.2
361.10699	13.1
363.08633	28.8
371.09296	2.0
375.03940	2.3
375.08630	39.4
387.08615	17.5
389.10254	3.0
393.09763	11.2
399.08762	7.5
405.09698	27.6
408.14435	12.3
417.09671	9.1
423.10773	11.0
432.14462	7.5
434.12369	1.9
435.10709	12.2
441.11823	73.4
442.11945	3.1
452.13541	4.0
453.11786	20.1
459.12857	52.3
462.15610	1.4
471.12744	6.1
492.16464	3.8
510.17633	38.2
511.18420	1.4
528.18634	16.4
536.15613	7.2
554.16522	10.0
572.17688	6.0
653.76733	1.2
665.69061	1.2
672.22357	2.4
684.00214	1.4
690.22974	2.1
734.23523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99961	0.8
55.05509	2.3
57.03446	1.7
57.07077	0.9
61.02936	5.5
67.05503	5.8
69.03438	3.1
69.07072	3.3
71.08607	1.4
71.61208	1.2
73.02922	3.1
74.09692	0.9
79.05507	4.1
80.80527	0.8
81.03429	2.6
81.07059	8.9
83.05009	1.0
83.08631	1.8
85.02899	6.3
90.65359	0.8
91.03971	3.3
91.05480	3.0
93.07060	3.6
95.04970	0.9
95.08611	6.3
97.02906	4.6
97.10192	0.9
99.04465	1.5
100.15031	0.8
101.02400	2.6
101.99429	0.7
105.07039	2.0
105.63065	0.8
107.08613	1.8
107.46008	0.9
109.10188	1.9
113.37385	0.8
115.05503	1.0
119.08587	1.9
121.10151	2.1
125.09660	1.1
127.03905	1.4
133.10135	1.2
161.13297	1.5
243.08409	1.6
247.39729	0.8
313.27487	1.3
337.27481	1.0
455.22931	2.9
516.91217	0.8
521.30927	8.5
563.35913	1.2
658.92334	1.1
735.46582	100.0
736.47028	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	738.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	3.1
53.03933	3.9
55.01863	5.7
55.05518	20.5
57.03436	17.9
59.04990	2.7
61.02919	1.9
63.41415	1.1
65.03932	2.0
65.80415	1.3
67.05166	1.4
67.05511	21.4
69.03448	6.6
69.07059	5.4
70.06586	1.6
70.94799	3.0
71.04989	3.4
73.02931	1.7
79.05496	22.3
81.03422	80.8
81.07059	26.9
83.04990	9.0
83.08630	27.6
84.08160	1.5
85.02911	6.1
85.06555	1.3
91.05488	43.2
93.07055	26.9
95.04974	27.3
95.08614	10.6
97.02901	9.9
97.06512	4.2
97.10178	7.4
99.00829	12.1
99.04431	2.3
103.05481	2.0
105.07040	28.3
107.04955	14.0
107.08604	15.4
109.02889	14.4
109.06532	7.6
109.10154	6.3
111.04427	3.7
111.08096	11.5
113.06006	1.5
114.54139	1.2
115.03914	3.3
115.05421	2.6
117.07001	6.5
119.04935	4.1
119.08591	22.1
121.02866	1.9
121.06495	10.2
121.10138	6.5
123.04433	1.7
123.08067	4.3
123.11705	3.2
124.07675	1.3
125.09660	8.0
126.05593	1.3
127.03931	6.0
128.06238	2.1
129.07004	8.1
131.08571	9.1
133.06470	5.7
133.10141	39.5
135.08086	3.2
135.11681	4.2
137.05968	3.8
137.09567	2.7
139.07547	3.4
143.08592	6.2
145.06458	1.9
145.10123	4.3
147.04407	4.4
147.08066	2.8
147.11703	6.4
149.09607	5.4
151.11205	10.7
157.10072	9.1
161.09621	20.9
163.11198	3.1
165.12801	2.0
171.08089	3.7
172.48315	1.4
173.09592	1.9
175.09872	1.4
175.11163	7.8
177.05444	4.3
179.10686	12.0
189.09105	11.5
189.11259	4.9
193.12263	23.3
194.02298	1.4
197.11729	4.3
207.06494	2.4
207.10214	3.6
209.11716	3.0
211.13264	2.8
219.13754	9.2
225.11258	14.0
227.12796	5.5
235.13411	1.7
239.00957	1.4
249.14775	2.2
263.12805	2.0
267.15933	89.0
281.13824	5.8
283.15369	5.9
285.17032	1.6
299.14917	74.1
300.15485	1.7
301.16446	2.5
331.73016	1.3
381.20703	2.6
385.23663	1.7
387.02615	1.3
389.23041	1.8
398.06735	1.4
417.22641	3.0
445.25876	10.5
459.27228	3.8
463.26743	5.7
473.25418	29.4
477.28625	4.2
491.26425	100.0
492.26682	3.8
509.27347	7.2
533.27484	1.9
561.63831	1.7
696.72137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
54.07181	1.4
55.05521	14.2
57.03443	4.6
59.06130	9.6
60.05687	1.4
65.03922	2.1
67.05160	2.9
67.05511	45.7
69.07073	11.2
70.26295	4.8
71.04984	3.5
77.03947	1.4
79.05499	53.1
81.03426	5.1
81.07066	44.8
83.04982	7.7
83.08626	6.7
85.02923	1.6
85.06567	1.9
91.05493	34.7
92.82831	1.4
93.07054	51.7
95.04989	11.0
95.08616	30.3
97.06536	3.5
97.10169	2.9
101.07163	14.4
102.07483	2.3
102.09177	1.9
103.08727	1.7
105.04519	1.6
105.07037	27.3
107.04998	3.6
107.08617	17.3
109.06551	3.6
109.10135	7.3
115.67056	1.5
117.07049	7.6
119.08590	19.0
121.10188	10.1
123.08066	3.5
123.11720	2.0
128.06332	2.0
129.07027	8.9
130.90929	1.5
131.08562	6.1
133.10173	10.0
135.11726	6.4
143.08568	5.9
145.10118	9.3
147.11723	23.0
149.13214	1.7
159.11758	5.3
161.09602	2.8
161.13205	7.3
171.11700	14.8
176.82808	1.4
179.14487	1.4
179.82442	1.8
189.12846	4.6
207.13826	16.4
243.21149	1.9
261.22177	4.2
281.17505	45.8
335.25854	48.0
427.07135	1.5
541.38947	100.0
542.38904	5.0
567.33234	1.9
593.47919	1.9
643.95282	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	740.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67062	1.9
53.03933	7.7
55.01876	15.7
55.05521	28.0
57.03228	1.8
57.03444	19.9
59.04983	2.5
61.02920	3.0
61.52570	1.8
65.03938	3.6
67.05167	2.9
67.05509	49.8
69.03428	10.6
69.07066	16.7
70.06573	4.7
70.82890	2.1
70.83234	3.0
71.04985	6.4
72.32864	1.7
73.02921	4.2
79.05501	43.3
81.03425	100.0
81.06633	2.8
81.07065	38.7
82.04207	2.6
83.04534	2.7
83.04986	32.5
83.08627	29.5
85.02905	11.0
85.06514	4.9
86.09652	2.2
88.43474	1.9
91.04538	1.7
91.05492	43.9
93.07047	36.5
93.22271	2.0
95.04976	36.7
95.08610	23.7
97.02880	9.2
97.06543	17.0
97.10159	12.9
99.04459	4.1
99.08120	2.1
105.07048	23.2
107.04957	24.2
107.08595	23.8
109.02869	4.4
109.06519	7.7
109.10162	26.1
111.04467	16.1
111.08086	13.7
115.05441	3.4
116.04717	5.0
117.07014	7.7
119.04945	5.1
119.08597	28.4
121.02843	7.3
121.06519	11.0
121.10148	13.6
122.63900	1.9
123.04411	4.0
123.08065	5.2
125.05972	3.0
125.09650	12.2
127.03893	3.0
127.72823	1.9
129.05486	18.1
129.07005	14.3
131.04886	2.1
131.08568	16.4
133.06500	7.1
133.10124	7.5
135.04417	4.3
135.08020	3.4
135.11713	20.9
136.57341	1.8
137.05939	3.6
137.09618	5.7
139.11121	2.3
141.07011	2.0
141.41237	1.8
142.07840	2.2
143.08627	2.8
145.06499	4.1
145.10109	13.6
147.04420	8.2
147.08052	5.1
147.11740	9.0
149.05980	2.7
149.09615	10.3
153.09015	2.3
153.11620	3.7
153.12752	33.4
155.08549	3.7
155.10606	2.2
155.73695	2.2
157.08589	7.9
157.10103	16.3
157.47035	1.9
159.11696	2.8
163.11203	26.7
171.10133	3.0
173.09584	3.8
173.11766	5.6
175.11208	11.1
181.12241	22.0
185.13223	2.4
186.70190	2.1
189.11226	8.4
191.10693	11.9
193.12257	34.6
199.13324	2.6
201.12715	2.6
207.06493	5.2
209.11710	8.7
211.13286	10.4
219.13904	2.8
227.12784	39.7
228.35530	2.2
229.14386	13.8
231.13695	2.4
237.12485	2.4
237.14815	2.0
244.49016	1.9
247.13321	23.2
249.14914	2.4
259.13214	3.2
265.14215	3.5
267.15936	73.9
283.15363	27.7
285.17117	3.1
289.14352	2.1
300.45523	2.1
301.16516	19.3
321.17032	5.3
355.22568	2.8
383.22122	5.4
401.23181	3.0
421.25937	3.4
447.27600	2.6
457.25998	3.1
458.26962	2.2
463.93082	2.1
475.26898	26.3
493.27994	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01867	2.4
55.05511	13.4
56.36538	0.4
57.03437	9.2
57.07037	1.3
57.11832	0.4
61.02895	2.0
65.03939	2.3
67.05505	41.8
69.03395	1.4
69.07069	10.1
69.07626	0.5
69.32787	1.1
69.33179	4.1
71.04976	2.3
73.02894	1.2
75.37979	0.4
79.05492	35.5
81.03373	1.7
81.07058	42.6
82.07388	0.5
83.04988	2.9
83.08623	8.4
85.02866	0.9
85.06503	1.8
91.05476	15.3
92.95741	0.4
93.07047	47.9
95.04448	0.4
95.04977	6.4
95.08608	50.9
96.08903	0.6
97.00586	0.6
97.02885	3.6
97.06524	3.5
97.10135	1.6
99.04484	2.8
99.08052	0.7
101.05924	0.5
103.05423	0.7
105.04512	0.6
105.06381	0.9
105.07025	10.9
107.04950	6.0
107.08596	31.2
109.06510	2.3
109.10156	12.1
111.04404	1.0
111.08069	0.9
111.11642	0.5
113.05980	0.5
113.09614	0.6
115.05399	0.6
117.07026	8.5
118.08677	0.8
119.07809	0.5
119.08591	11.6
121.06532	3.7
121.10146	19.3
123.08039	1.1
123.11718	3.1
125.05949	1.9
129.06915	0.6
130.07744	1.2
131.08566	4.4
133.10138	6.1
135.08020	1.6
135.11697	39.6
136.11957	0.8
137.09628	0.6
137.13222	1.0
139.07529	0.9
139.11169	0.6
143.08539	0.6
145.10126	25.0
147.11694	3.4
149.13284	3.2
152.19183	0.5
153.12749	1.2
155.08592	0.7
159.11690	2.4
161.13208	1.5
163.11185	44.2
163.14777	1.5
164.11470	1.1
173.13237	1.8
175.14815	0.7
177.16377	0.6
177.80621	0.5
181.12236	7.0
187.14742	0.8
203.14221	0.5
209.11696	1.2
227.12782	55.1
228.13046	0.6
243.21004	1.3
261.22092	6.8
278.37149	0.5
279.23129	0.6
283.15405	47.2
306.27521	0.5
317.24847	2.8
335.25800	100.0
336.26129	2.6
543.36816	67.2
544.37128	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01865	2.7
55.05516	15.7
57.03440	8.2
57.07090	1.3
65.03947	1.4
67.05160	2.3
67.05510	42.6
69.07076	13.0
69.24581	2.8
69.24982	10.6
71.04994	2.2
72.61287	1.0
73.02918	2.5
77.03902	1.3
79.05043	2.6
79.05495	37.7
81.03448	2.5
81.07062	42.0
82.48481	1.1
83.04977	2.7
83.08622	10.0
85.06561	1.4
91.05485	13.9
93.07052	52.5
95.04978	5.7
95.08614	57.4
95.09222	3.2
97.02898	3.2
97.06525	3.8
97.10220	2.3
98.21480	3.1
99.04439	2.7
100.50540	1.3
103.05483	1.5
105.07034	12.8
107.04967	6.4
107.08598	38.5
109.06541	2.9
109.10170	11.0
111.04469	2.5
113.06078	1.3
115.84928	1.1
115.94919	1.2
117.07040	11.3
118.04460	1.2
118.08700	1.4
119.08578	14.1
121.06518	5.1
121.10150	19.5
123.08028	1.1
123.11684	2.6
125.06012	3.0
131.08571	4.4
133.10112	5.8
135.08115	1.7
135.11700	51.2
138.56837	1.1
139.07584	2.3
145.10136	28.1
147.11662	1.9
149.13297	3.7
159.11696	1.6
161.13286	1.9
163.11194	58.6
173.09639	1.7
173.13275	1.4
175.14859	1.8
180.35535	1.1
181.12245	10.5
209.11697	2.1
227.12791	77.5
228.13304	1.5
243.21191	2.7
261.22165	8.3
283.15411	100.0
284.15811	2.8
317.24753	2.6
335.25818	93.9
336.26138	3.4
343.49365	1.4
469.33063	1.3
543.36847	83.4
544.37079	4.1
558.10559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.5
55.05514	19.0
57.03439	10.8
59.04992	1.1
61.02939	1.9
65.03924	1.3
67.05169	1.4
67.05510	21.4
69.03430	7.2
69.07063	8.2
70.06583	3.7
71.04988	4.4
71.11843	2.2
74.97743	1.0
79.05498	27.4
81.03423	58.6
81.07060	28.5
83.04993	7.1
83.08626	16.5
85.02918	5.1
85.06547	1.9
86.09685	1.2
87.04512	1.2
91.05485	24.1
93.07049	21.3
94.27843	1.0
95.04981	23.3
95.08610	12.4
97.02892	5.6
97.06530	3.9
97.09608	1.4
97.10182	15.8
99.04424	2.1
103.05510	1.8
105.04503	1.0
105.07036	17.3
107.04964	18.1
107.08597	13.5
109.02856	4.0
109.06520	19.4
109.10160	9.0
111.04427	2.2
111.08067	5.6
115.05483	2.2
117.07024	7.0
119.02197	1.0
119.04939	4.7
119.08589	13.5
121.02843	1.6
121.06507	14.8
121.10162	11.4
123.04435	1.8
123.08064	4.8
123.11695	1.1
125.06009	1.1
125.09632	16.3
127.03893	4.4
128.06277	1.7
129.06999	9.4
131.04964	2.6
131.08594	16.1
133.06523	6.3
133.10161	6.8
135.08070	9.4
135.11636	2.8
136.07631	1.6
137.05957	3.0
137.09612	2.5
139.11205	1.5
141.06992	1.2
142.07776	2.1
143.08542	3.3
145.06537	5.9
145.10146	8.4
147.04411	5.6
147.08026	5.1
147.11700	6.5
149.05984	1.4
149.09618	7.4
151.03972	1.4
151.07571	1.3
153.09106	3.4
155.08551	3.4
157.06516	2.5
157.10117	6.6
159.08067	3.8
159.11690	2.7
161.05974	2.4
161.09599	3.0
163.07558	2.1
163.11177	4.7
167.07042	3.1
167.08412	1.2
167.10646	1.3
169.10106	1.9
171.08028	2.4
171.11642	2.7
173.09554	2.5
173.13289	3.7
175.03915	3.5
175.11235	7.1
175.14725	1.2
177.05464	3.0
177.12718	1.1
181.04988	1.4
183.11697	2.0
187.11197	1.4
187.14919	1.7
189.11200	5.3
189.12764	2.0
191.10649	1.4
191.14281	4.5
193.12250	15.7
195.10115	1.5
197.13356	1.6
199.11215	1.8
201.12781	1.7
205.12315	2.3
207.06587	6.7
207.13876	1.5
208.06825	1.7
211.13254	2.2
215.14388	2.1
217.12247	1.6
219.13808	13.1
223.11382	1.2
223.13307	2.1
225.12698	1.7
225.14920	1.6
227.12762	2.3
229.14314	1.4
231.13916	1.6
233.15457	5.1
235.13257	2.0
237.12668	1.7
239.50314	1.1
241.14346	1.6
245.15399	1.7
249.15001	1.8
255.13847	1.9
259.13071	1.7
259.15582	7.7
267.15927	42.4
271.17105	1.3
273.14743	5.5
275.16342	1.6
279.97815	1.1
283.15250	1.6
287.16476	2.0
289.18045	1.1
293.17496	7.6
325.41003	1.1
325.44583	1.2
331.08203	2.2
332.08380	2.0
339.23312	2.6
349.21478	5.3
367.22705	16.0
385.23749	21.8
400.06882	1.1
403.24738	10.0
441.26242	7.0
451.26804	4.0
459.27444	100.0
460.27725	5.3
477.28528	88.0
478.28668	4.6
491.30359	8.8
495.29324	6.3
501.28448	1.7
508.68680	1.1
509.30737	3.7
567.29572	1.3
742.39838	4.0
742.52759	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01872	3.7
55.05515	20.4
57.03440	15.4
57.07067	4.3
61.02925	3.3
61.33064	1.1
65.03935	3.4
67.05505	68.1
69.03432	3.8
69.07068	24.4
71.04997	3.5
73.02914	3.0
79.05495	47.3
79.65005	1.2
81.03428	10.2
81.07060	72.2
83.04990	7.7
83.08625	16.0
84.88653	1.4
85.02909	5.6
85.06529	3.5
91.03969	1.6
91.05483	32.1
93.06455	2.8
93.07048	54.8
95.04964	14.8
95.08607	72.8
97.02904	4.9
97.06541	9.1
97.10169	5.8
98.21596	2.1
99.04465	3.4
99.08105	2.0
103.05511	1.5
105.07034	23.1
107.04952	7.4
107.08601	38.2
108.42538	1.2
109.06521	5.9
109.10145	19.8
109.10814	1.8
111.04453	2.3
111.08094	3.1
113.09689	1.5
113.56071	1.4
117.07030	8.0
119.08581	20.1
121.06511	3.5
121.10144	22.4
123.08107	1.8
123.11694	7.4
125.05991	2.3
129.07027	4.3
130.07793	2.8
131.08548	8.5
133.10135	16.3
135.08075	2.9
135.10672	2.9
135.11696	47.0
136.29808	1.2
137.13266	2.3
139.07584	1.2
143.08501	2.8
145.10124	28.0
147.11679	10.5
149.09671	1.7
149.13242	3.8
151.11241	2.0
153.12811	1.9
157.10143	5.0
159.11714	4.4
161.13271	3.5
163.11186	49.1
163.14857	2.0
173.13330	3.1
175.11259	4.6
175.14842	2.0
177.16435	1.5
181.12215	8.0
184.07423	1.5
193.12257	4.7
209.11685	1.9
211.13362	3.5
227.12794	58.2
229.18269	1.8
243.21176	2.7
261.22180	6.2
263.23550	1.5
266.95758	1.4
267.15872	5.8
273.93317	1.2
283.15408	74.6
285.16977	34.2
335.25800	42.5
337.27390	76.6
338.27682	2.7
365.16080	1.5
453.33307	2.1
471.35339	1.4
503.37198	4.6
527.37274	4.6
545.38379	100.0
546.38654	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
55.01867	5.4
55.05514	28.7
57.03445	21.0
61.02929	2.7
65.03937	3.0
67.05509	71.8
69.03430	6.9
69.07069	19.0
70.83194	4.9
71.04993	6.4
79.05495	58.5
81.02969	4.2
81.03422	65.3
81.07060	78.8
82.30087	2.5
83.04984	22.7
83.08629	28.7
85.02907	36.3
85.06575	5.0
86.18809	2.3
91.05483	53.3
93.07049	55.4
95.04977	30.9
95.08610	50.2
97.02907	5.1
97.06538	6.4
97.10195	6.0
99.04465	2.1
105.07034	33.4
107.04932	6.1
107.08595	25.9
109.06521	6.0
109.10174	13.6
111.08098	14.3
113.06004	3.5
117.07035	5.2
119.08599	30.8
120.00948	2.1
121.10143	26.5
123.08074	3.7
123.11713	6.6
125.09653	2.3
128.06143	2.2
129.07048	12.2
131.08580	20.5
133.10120	19.8
135.11723	11.2
142.07806	3.3
145.10155	7.4
147.11685	19.5
149.09644	6.5
149.13205	4.8
157.10121	16.4
159.11751	5.8
163.14764	2.6
165.12756	2.8
173.13232	3.8
175.11180	18.6
193.12248	60.6
211.13298	84.6
243.21130	4.4
249.95964	2.1
261.22223	14.5
262.41769	2.2
267.15939	23.5
285.16971	95.2
317.24655	3.9
335.25806	90.5
336.26431	3.6
408.70578	2.3
439.54333	2.2
453.33789	4.2
471.34656	2.7
520.81879	2.8
527.37347	9.4
545.38379	100.0
546.38849	6.1
707.10956	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01870	2.0
55.05517	15.1
57.03438	9.5
57.07080	1.0
61.02918	2.6
65.03945	1.7
66.94588	0.8
67.05509	39.6
68.05879	1.1
69.03426	3.8
69.07083	8.9
69.47611	7.2
71.04998	3.4
71.08641	0.9
73.02932	0.8
79.05045	1.6
79.05496	26.9
81.03420	39.7
81.07062	36.5
81.07420	0.5
81.75491	0.9
83.04993	9.7
83.08622	17.1
85.02910	14.4
85.06586	1.0
91.05484	27.5
91.06063	1.6
93.07048	29.1
95.04972	17.3
95.08617	20.4
96.08970	1.6
97.02901	2.5
97.06522	2.7
97.10159	2.8
105.04530	0.9
105.07031	16.0
106.39603	1.0
107.04974	3.7
107.08614	12.5
107.84306	0.8
109.06525	4.2
109.10158	8.6
111.04479	2.0
111.08067	6.6
113.06057	1.2
115.05450	1.7
117.07033	2.8
119.08576	14.6
121.10131	13.5
122.10493	1.2
123.08089	1.8
123.11710	2.4
125.09686	1.4
129.07007	6.0
131.08580	9.3
133.06505	1.1
133.10143	7.8
135.11710	5.7
136.12048	0.9
137.09613	1.9
142.07799	2.1
145.10129	5.1
147.08041	2.4
147.11688	10.9
149.09619	3.2
149.13277	3.2
151.14842	0.8
157.10138	8.8
159.11697	2.7
161.13275	2.4
163.11183	2.9
163.14832	1.3
165.12794	2.0
173.13329	1.4
175.11205	9.8
187.14824	1.1
193.12250	27.0
204.97250	0.8
211.13309	46.3
227.12825	3.9
228.13091	1.9
243.21207	1.5
261.22174	3.1
267.15970	8.5
283.15414	3.8
284.15704	2.0
285.16983	40.2
335.25833	47.4
336.26151	4.6
337.26282	1.4
416.71146	0.9
494.61804	1.1
527.37506	6.4
544.37140	1.1
545.38361	100.0
546.38605	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01863	3.3
55.05259	1.5
55.05512	21.9
56.28601	0.9
56.98349	0.8
57.03178	1.3
57.03438	18.4
57.07063	2.0
61.02927	4.6
65.03918	2.6
67.05506	65.5
68.05801	0.9
69.03432	5.5
69.07069	14.0
69.83506	4.5
70.61379	0.9
71.04993	4.8
79.05496	52.4
81.03420	51.8
81.03904	2.1
81.07059	63.9
82.07409	1.4
83.04982	13.2
83.08620	23.0
85.02907	21.5
85.06534	2.9
85.31843	0.8
91.03942	1.5
91.05481	45.8
93.07047	54.4
95.04968	22.6
95.08606	47.3
97.02895	4.3
97.06525	5.1
97.10148	3.6
98.21372	1.3
99.08075	1.7
105.04520	1.6
105.07038	31.6
107.04949	5.0
107.08600	24.9
108.30547	0.8
109.06525	4.5
109.09437	1.4
109.10152	15.9
111.04462	2.1
111.08067	9.7
113.06012	1.8
115.05415	1.1
117.07024	7.9
119.08585	24.2
120.94747	0.8
121.06477	1.6
121.10148	20.2
123.08055	3.8
123.11701	7.0
125.09615	1.9
127.03876	1.1
128.06172	0.9
129.07024	10.5
131.08571	17.2
133.06479	1.7
133.10146	17.4
135.11670	10.6
137.09602	2.8
137.13220	2.5
142.07777	2.7
143.08609	1.2
145.10132	5.7
147.08084	2.4
147.10609	1.7
147.11693	15.6
147.12781	1.9
149.09630	5.1
149.13245	5.1
151.11168	1.1
157.10138	13.0
159.11726	5.5
161.13252	3.3
163.11198	1.0
163.14818	3.4
165.12778	2.9
171.11716	1.4
173.13234	3.3
175.11183	11.7
175.14789	1.1
187.14841	2.4
193.12241	39.3
194.12415	1.1
205.95827	0.9
211.13306	54.1
215.48338	1.0
227.12605	1.3
241.19165	0.9
243.21080	3.0
261.22144	12.5
267.15891	14.4
269.17636	1.0
283.15363	1.0
285.16974	57.5
301.25446	1.1
317.24747	3.3
335.25803	96.3
336.25970	1.5
435.32300	1.9
453.33405	1.8
516.77808	0.9
527.30029	1.2
527.37402	16.3
528.37537	1.1
531.05634	1.1
545.38391	100.0
546.39111	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	743.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01882	0.4
55.05513	1.8
57.03442	1.9
61.02935	4.8
66.28600	0.3
67.05513	5.0
69.03432	3.1
69.07062	1.3
70.71568	1.0
71.04998	0.8
73.02924	3.6
75.04530	0.4
79.05505	4.9
81.03423	1.6
81.07066	5.2
83.04990	0.7
83.08607	0.4
85.02908	5.1
87.04463	0.4
91.03961	3.9
91.05486	3.4
93.07056	5.2
94.30026	0.4
95.04980	0.9
95.08607	3.4
97.02895	3.8
97.06576	0.4
99.04494	0.8
100.01828	0.3
101.02399	1.2
105.07040	2.3
107.04915	0.5
107.08624	2.0
109.02843	0.8
109.06561	0.5
109.10157	1.7
110.97491	0.4
115.03938	0.5
117.07044	0.8
119.08587	1.5
121.10165	2.3
127.03953	1.6
131.08588	1.1
133.00702	0.4
133.10182	1.3
135.11717	1.0
143.08614	0.5
145.10207	0.8
147.11737	1.3
157.10085	0.4
159.11714	0.5
171.11766	1.0
185.04242	0.6
221.08929	0.4
243.08408	2.2
247.13109	1.6
294.83511	0.4
303.15836	0.5
335.25830	0.7
447.39569	0.4
465.21021	4.7
519.29297	8.4
519.36908	0.5
643.49408	0.3
646.26459	0.5
743.43433	100.0
744.43927	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01886	1.5
55.05511	13.6
57.03436	8.4
57.07076	2.3
59.04998	2.8
61.02932	2.2
65.03935	3.8
67.05508	100.0
69.03442	2.4
69.07074	14.0
71.04993	19.0
73.02934	1.0
76.44608	0.6
79.05495	34.2
81.03431	5.5
81.07061	43.8
83.04980	4.7
83.08624	9.1
85.02913	3.4
85.06552	3.6
87.04478	0.7
91.03985	1.0
91.05486	22.8
93.07050	43.6
94.07362	0.8
95.04977	4.8
95.08611	34.7
97.02895	2.1
97.06536	5.9
97.10180	2.7
98.20684	1.2
99.08087	1.2
105.04517	1.0
105.07032	12.6
107.04949	0.8
107.08598	21.4
109.06528	2.5
109.10162	64.0
110.10497	1.2
111.08088	3.9
117.07003	4.4
119.08588	17.8
121.10147	16.4
123.08108	1.6
123.11729	2.8
125.09644	1.0
126.51325	0.6
129.07007	1.7
131.08566	7.2
133.10136	8.5
135.11700	15.2
137.09625	8.7
139.11145	0.8
145.10143	7.0
147.11655	3.9
149.13242	4.6
151.11255	0.8
155.10690	2.8
155.22910	0.7
157.10201	1.4
159.11691	3.7
161.13286	3.8
163.11209	3.1
163.14810	1.6
165.12750	0.9
169.12247	1.8
171.11754	0.8
173.11772	7.5
173.13318	2.1
175.11247	1.1
175.14883	1.8
181.12238	2.5
187.13326	1.3
187.14799	1.3
189.49278	0.7
193.12297	1.9
211.13364	1.7
213.14879	1.2
222.08192	0.8
229.14375	1.7
243.16000	1.3
243.21109	0.9
255.15912	4.1
261.22214	2.6
267.16010	1.4
285.17035	2.4
287.18542	16.5
317.24811	1.0
335.25809	28.0
336.26105	1.3
337.27328	3.5
471.34586	3.3
489.35773	93.0
490.35980	3.9
497.36566	0.9
503.37512	4.0
515.37305	9.8
516.37360	1.0
529.38806	1.6
547.39978	74.5
548.40723	3.9
744.46173	3.2
745.41602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11807	0.2
53.03948	1.4
55.01881	0.7
55.05515	1.8
55.18118	0.2
57.03438	2.3
57.07063	0.4
61.02627	0.5
61.02926	6.1
65.03952	0.5
67.05505	7.0
69.03432	3.8
69.07078	1.3
69.30350	2.3
71.01355	0.7
71.04997	0.8
73.02920	5.1
73.03297	0.5
74.34895	0.2
79.05492	5.8
81.03418	1.8
81.07059	6.1
83.04988	0.7
83.08616	0.8
85.02907	5.0
85.06561	0.3
87.04475	0.5
91.03959	3.5
91.05476	2.7
93.07049	5.5
93.07619	0.4
95.04993	1.0
95.08612	5.8
97.02897	5.9
97.06555	0.5
99.04468	1.1
101.02373	1.8
103.03967	0.5
105.07035	1.8
105.76866	0.2
107.08601	3.4
109.02897	0.9
109.06559	0.3
109.10162	1.6
115.03951	0.8
117.07030	1.0
119.08569	1.5
121.06516	0.4
121.10143	2.0
123.11738	0.4
127.03911	1.7
129.05475	0.5
131.08577	1.1
133.10132	1.1
135.11693	2.6
143.75006	0.2
145.05067	0.3
145.10114	1.5
147.11682	0.5
149.13315	0.4
159.11668	0.5
161.13234	0.3
163.11156	2.4
173.13322	0.3
181.12259	0.5
185.04253	0.7
203.05347	0.5
219.09955	0.3
227.12779	1.2
243.08424	2.5
243.10777	0.3
249.10992	12.7
287.18576	0.4
301.67291	0.2
305.13550	1.3
329.04749	0.3
335.25754	1.2
467.18933	5.0
504.37701	0.5
519.29333	10.2
520.29584	0.4
548.40308	0.4
745.41321	100.0
746.41553	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01890	0.5
55.05511	1.3
57.03436	1.5
61.02931	4.4
61.03238	0.4
65.03930	0.4
66.86143	0.3
67.05502	4.4
69.03431	2.1
69.07072	1.0
70.20170	0.4
70.20518	1.0
71.01353	0.6
71.05021	0.4
73.02914	3.5
79.05496	3.2
80.64994	0.3
81.03421	1.6
81.07056	4.4
83.04993	0.4
83.08634	0.7
85.02908	4.0
88.48268	0.3
91.03957	2.3
91.05471	1.9
92.05839	0.3
92.70152	0.3
93.07047	4.8
95.04973	0.6
95.08611	4.4
97.02897	3.3
98.20842	0.3
99.04468	0.9
101.02374	1.9
103.03874	0.3
105.07033	1.7
107.04958	0.7
107.08601	2.6
109.02882	0.6
109.06535	0.3
109.10155	1.3
117.07001	0.7
119.08598	1.6
121.06518	0.4
121.10177	2.0
123.11713	0.5
125.06052	0.3
127.03960	1.3
131.08652	0.7
133.10135	0.6
135.11711	3.4
145.10138	2.1
147.11761	0.3
153.12640	0.3
159.11717	0.4
163.11180	4.0
170.77740	0.3
175.14832	0.3
181.12268	0.9
185.04251	0.7
197.79977	0.3
201.89131	0.3
207.44168	0.3
219.10049	0.3
227.12787	2.9
243.08426	2.5
249.11011	8.5
267.76346	0.3
305.13641	2.1
305.77872	0.3
335.26196	0.5
467.18900	9.5
519.29333	6.6
519.37054	0.4
548.39551	0.5
642.83484	0.4
745.41351	100.0
746.41693	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	746.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.05527	0.8
65.03950	1.1
67.05511	1.7
69.03443	1.5
69.89860	2.4
70.06591	2.3
71.04978	0.6
74.06097	1.1
74.56775	0.5
79.05503	2.8
80.04993	0.6
80.66280	0.5
81.03424	2.0
81.07060	2.7
82.06596	1.3
85.02917	1.9
85.06553	0.6
88.07681	0.5
91.05483	7.9
93.05791	1.1
93.07034	4.1
94.06580	3.4
95.04997	2.1
95.07380	0.9
95.08613	1.6
96.08124	3.0
97.02911	1.0
97.06540	0.7
98.21464	0.6
98.97578	0.7
100.51526	0.6
103.05492	1.9
105.07049	3.7
106.06575	1.6
107.04977	0.9
107.07343	1.9
107.08621	1.9
108.04498	1.0
108.08121	9.7
109.02902	1.1
109.10191	1.0
110.09677	5.3
115.05505	1.0
117.03384	1.0
117.05779	2.2
117.07036	1.6
118.06551	1.3
119.04954	4.8
119.07346	1.3
119.08537	0.7
120.05301	0.5
120.08113	17.4
121.08936	0.8
122.06059	2.2
122.09680	8.7
123.08013	0.6
124.07648	1.0
126.09164	1.6
127.03893	1.4
130.06570	0.7
131.07358	1.0
132.08105	4.5
133.06604	0.7
133.07693	1.3
133.10129	0.6
134.06076	0.8
134.08562	0.9
134.09637	7.5
135.09212	1.0
136.07570	2.4
136.11267	1.4
137.06041	0.7
138.09152	9.8
140.10689	1.0
144.08096	3.1
145.02863	2.1
145.07632	0.7
145.20569	0.5
146.06021	1.1
146.08426	1.5
146.09671	1.6
147.04404	4.3
147.09146	3.0
148.07593	0.8
148.09962	2.0
148.11130	0.9
149.10791	1.7
150.09088	2.4
151.03911	0.7
152.10730	1.7
158.08380	0.8
159.09186	3.4
160.09947	6.6
161.10751	6.9
162.09177	1.3
162.11568	1.0
163.03926	0.9
163.08687	0.9
163.12253	3.9
164.10780	1.1
165.07103	0.6
165.10269	2.7
167.07076	2.2
172.03926	0.7
173.10744	4.8
173.13246	0.6
175.03914	5.7
175.12328	2.6
176.04276	0.8
177.05475	4.8
177.06693	0.5
177.10284	3.3
178.11053	2.2
179.11800	28.5
181.04991	1.0
189.10277	2.3
190.05116	1.1
191.11792	12.8
192.12286	0.9
193.13470	1.0
194.06351	1.0
197.10712	0.6
199.08708	1.2
201.10286	3.1
204.06740	0.9
207.04584	0.7
207.06526	11.2
207.11296	1.1
208.06892	2.0
211.08769	1.6
213.10309	1.0
217.09756	1.9
219.11441	3.3
222.08730	0.5
223.08650	0.8
224.57095	0.5
225.10359	2.0
227.08073	0.7
227.11903	1.4
235.08810	0.7
235.10913	1.7
237.10275	2.0
239.12038	0.7
241.09712	0.8
249.10246	2.6
250.11099	0.9
251.08167	1.3
251.11861	2.8
252.12608	0.6
253.09737	1.4
253.13387	0.9
255.11444	0.7
261.10266	0.8
263.11746	1.3
265.09912	1.5
267.11295	1.3
269.12967	0.6
273.12521	1.6
277.09808	1.5
279.11295	2.2
281.12863	1.0
283.11029	0.7
285.12448	0.8
287.13925	0.6
291.11517	1.0
295.10922	0.6
296.11523	0.9
297.12543	0.9
302.13104	0.9
311.13974	1.9
314.13055	1.2
316.14612	0.9
319.11105	0.9
321.12854	0.6
323.10272	1.2
326.13199	0.7
327.13647	0.6
328.10910	0.7
328.14539	1.3
329.11673	1.1
330.12527	1.7
330.15985	0.8
340.14789	1.0
342.12509	1.7
342.16162	0.8
342.26321	1.0
344.14001	2.9
344.17694	0.7
353.14514	0.6
354.12238	0.7
354.16345	0.9
355.12976	0.6
356.14011	1.8
357.14847	1.6
358.15549	2.4
362.18796	0.6
368.13824	1.0
369.14371	0.8
370.15784	1.2
371.16211	1.5
372.13132	0.7
372.17319	1.5
373.13895	0.7
382.15378	0.8
388.16718	0.7
394.15442	0.6
398.15366	0.7
399.15976	0.9
400.16574	1.7
404.15118	0.8
412.16498	1.0
414.18259	0.9
417.16397	0.7
418.17358	2.1
419.13278	0.7
430.17322	1.1
432.13715	0.9
432.19202	0.7
433.14572	1.2
440.16269	0.7
446.16437	1.9
458.17252	1.9
464.16617	1.2
474.14841	1.2
476.17776	1.0
490.20160	2.6
492.15912	1.4
499.14697	0.7
508.15665	1.1
522.17102	1.2
524.18542	2.1
533.18793	0.7
540.17902	0.9
565.21136	0.8
670.26898	3.0
696.25159	2.5
702.29523	1.2
714.25897	18.4
715.26825	1.1
728.27423	1.7
728.39355	1.1
746.28534	100.0
747.28772	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	747.378
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03955	1.2
55.00825	0.5
55.01884	0.8
55.05510	1.4
56.96571	0.4
57.03443	2.2
59.05003	0.7
61.02932	4.1
65.03961	0.5
67.05509	3.4
69.03444	3.5
69.07072	2.0
69.93627	1.0
69.94023	0.8
70.06601	1.9
71.01350	0.5
71.05000	2.0
72.08157	0.5
73.02924	3.1
75.04502	0.5
79.05507	4.0
81.03426	7.5
81.07066	4.3
83.08634	1.7
84.08188	0.5
85.02916	5.5
87.04489	0.5
88.01006	0.4
91.03944	2.2
91.05487	5.2
93.07048	4.0
95.04964	2.7
95.08617	2.2
97.02884	4.3
97.06573	1.3
98.21398	0.6
98.97615	0.4
99.04465	1.2
101.02386	2.1
105.07032	3.1
107.04992	1.3
107.08627	2.4
109.02919	2.2
109.06532	0.9
109.10179	1.2
111.04527	0.4
111.08116	1.2
117.03394	0.4
117.07053	0.5
119.04991	1.8
119.08567	2.8
121.02859	0.4
121.06516	0.4
121.10153	3.3
123.11685	0.4
127.03958	1.8
129.07030	1.4
131.08554	3.1
133.06531	0.8
133.10184	1.5
135.11639	0.5
137.06021	1.5
139.11226	0.9
145.02907	0.6
145.04980	0.8
145.10181	0.6
147.04509	1.9
147.08105	0.5
147.11746	1.7
149.06039	0.5
149.09612	3.3
151.03877	0.8
157.10167	1.4
161.06133	0.4
161.13237	0.4
163.03976	0.6
167.07132	1.4
174.10158	0.4
175.03946	2.2
175.11235	1.0
177.05481	2.0
179.07018	0.4
187.07755	0.4
193.12276	2.9
207.06581	3.4
217.08658	0.5
225.14886	0.7
243.08452	2.9
251.12694	0.7
267.16071	1.5
269.13730	1.8
283.15140	4.9
283.17493	0.4
294.88760	0.4
295.15717	0.5
325.15952	0.5
331.08252	0.7
339.17892	1.0
430.79352	0.5
443.18927	7.6
469.20502	3.5
487.21600	7.6
501.23102	14.0
501.30209	0.8
502.23422	0.9
585.32617	0.6
657.31091	0.9
662.15491	0.4
703.35168	3.1
729.36603	1.6
747.37860	100.0
748.26361	0.5
748.38361	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01884	0.6
55.05508	1.8
56.36900	0.4
57.03426	1.4
61.02925	5.8
66.80704	0.4
67.05505	5.0
68.05874	0.5
69.03431	3.4
69.07071	1.4
70.00346	1.6
70.06622	0.5
71.04996	0.8
73.02924	4.2
79.05492	3.3
81.03419	5.0
81.07055	5.3
83.08621	2.1
85.02911	5.2
91.03960	2.7
91.05491	2.8
93.07035	3.9
95.04974	1.1
95.08596	3.4
97.02901	4.0
99.04462	1.2
101.02392	2.2
105.07030	1.6
107.08606	1.3
109.02888	0.9
109.10159	1.3
119.08591	1.7
121.10157	2.0
124.99966	0.6
127.03934	1.0
129.64931	0.5
131.08556	0.9
133.10165	0.9
135.11693	0.8
145.10129	0.6
147.11703	1.3
149.09607	0.6
152.05179	0.5
157.10182	0.9
175.11212	0.8
184.07484	0.6
185.04327	0.6
193.12262	2.2
203.05429	0.5
211.13379	2.1
213.79745	0.6
243.08511	2.1
251.12535	3.2
307.15414	0.9
335.25735	0.8
337.27652	0.5
423.00970	0.5
469.20468	7.7
519.29584	4.2
520.28613	0.5
747.42822	100.0
748.43036	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37179	0.5
54.04956	0.4
55.01874	0.9
55.05524	2.7
57.03437	2.1
57.07077	2.2
59.05040	0.5
61.02932	5.0
65.03932	0.6
67.05515	6.5
69.03430	2.7
69.07074	2.9
69.92414	2.2
71.05033	0.4
71.08633	2.1
73.02924	3.8
73.06601	0.5
78.78517	0.5
79.05495	2.3
81.03406	2.3
81.07052	6.3
83.08628	1.5
85.02903	4.9
85.10175	1.6
87.04474	1.3
89.06040	5.7
91.03965	2.7
91.05492	2.0
93.07047	2.9
95.08613	5.7
97.02888	4.5
97.10172	1.3
98.21466	0.8
99.04486	1.4
101.02407	1.6
105.07047	1.3
107.04954	0.6
107.08601	1.9
109.02901	0.7
109.10190	2.1
112.91631	0.4
117.09138	0.6
119.08599	2.0
121.10141	1.0
123.11710	1.1
127.03967	1.5
133.08583	3.2
133.10170	1.2
135.11720	1.9
138.36314	0.5
144.37521	0.5
145.10143	1.2
147.11710	0.5
161.47432	0.5
163.11243	1.2
169.35127	0.5
177.11317	1.4
184.07367	0.8
185.04219	0.6
203.05341	0.7
219.09819	0.5
227.12799	1.4
243.08554	1.7
249.10991	9.4
304.23386	0.5
305.13782	0.8
337.27408	0.9
355.02176	0.5
467.18927	3.5
469.20639	0.8
502.18820	0.6
519.29468	0.9
521.30908	7.7
653.07410	0.5
747.42853	100.0
748.43060	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.03430	2.0
57.07071	0.9
61.02930	4.5
65.03938	0.5
67.05509	4.1
69.03439	2.9
69.07066	1.8
70.13523	0.4
70.17952	2.2
71.08636	1.0
73.02919	2.9
75.25191	0.5
77.27583	0.5
79.05493	2.5
81.03425	1.6
81.07056	4.7
83.08604	1.0
85.02903	4.4
85.10221	0.5
87.04473	0.8
89.06043	3.3
90.06371	0.5
91.03960	2.1
91.05487	2.1
93.07053	3.3
95.04964	0.7
95.08610	4.0
97.02899	3.1
97.10183	0.7
99.04442	0.6
101.02408	1.7
105.07034	1.2
107.08608	1.6
109.02880	0.8
109.10148	1.4
117.06979	0.6
119.08608	1.6
121.10116	1.1
123.11704	0.6
125.05926	0.5
127.03928	1.5
133.08621	1.3
135.11720	2.3
145.10141	1.2
163.11209	2.1
177.11157	0.8
183.21098	0.6
185.04277	0.8
227.12775	1.7
243.08501	2.0
249.10983	5.6
305.13757	1.0
313.27826	0.6
382.83646	0.5
413.17914	0.7
467.18979	7.0
469.20337	3.5
519.29156	2.3
521.30872	3.1
563.39001	0.5
595.14868	0.5
747.42902	100.0
748.43298	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.05512	1.4
57.03456	2.1
57.03684	0.4
57.07080	0.4
61.02929	5.2
65.03947	0.4
67.05512	4.4
69.03434	3.0
69.07072	1.4
70.06589	0.6
70.74621	0.3
71.04995	0.9
71.60355	0.6
73.02927	3.8
76.71526	0.4
79.05495	3.8
81.03423	3.9
81.07063	4.7
83.08626	1.6
85.02911	6.2
85.10190	0.4
89.06045	0.7
91.03973	2.9
91.05487	3.3
93.07039	3.0
95.04971	1.6
95.08619	2.9
97.02897	3.8
97.06568	0.4
97.10187	0.4
99.04457	0.9
101.02385	2.2
103.03946	0.5
105.07031	2.9
107.08632	1.2
109.02892	0.6
109.06519	0.6
109.10184	1.2
111.08101	0.4
117.07001	0.5
118.07703	0.3
119.08588	1.9
121.09408	0.3
121.10146	1.8
123.11679	0.4
127.03922	1.6
129.07024	0.5
131.08626	1.0
133.06621	0.4
133.10190	1.4
135.11714	0.5
137.09558	0.4
145.10181	0.9
147.11731	0.9
149.09663	0.3
157.10155	0.7
173.13303	0.6
175.11185	0.5
185.04213	0.9
193.12387	0.9
211.13409	0.6
243.08307	2.0
251.12584	1.1
334.48105	0.3
335.25888	0.5
469.20514	8.2
519.29248	5.0
747.42914	100.0
748.43231	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
54.36870	0.3
55.05515	1.1
57.03440	2.1
61.02928	5.8
65.03938	0.4
67.05511	5.8
69.03432	3.9
69.07069	1.3
71.01370	0.8
71.05004	0.7
71.08846	0.4
71.09173	0.6
73.02914	4.7
73.39955	0.3
74.73972	0.4
76.64870	0.3
79.05499	4.4
81.03408	2.4
81.07064	5.3
83.08622	0.7
85.02908	6.2
91.03957	3.6
91.05490	3.3
92.26690	0.3
93.07054	4.3
95.04980	1.2
95.08592	3.5
97.02909	5.4
99.04471	1.1
101.02377	1.9
105.07040	1.7
107.08592	2.1
109.02895	1.1
109.10152	1.4
115.03976	0.4
117.07073	0.7
119.08615	1.3
121.10143	2.1
123.11766	0.6
127.03907	2.1
131.08617	0.9
133.10139	1.2
135.11717	0.6
145.10190	0.7
147.11745	0.9
157.10173	0.5
161.13303	0.4
163.42661	0.4
193.12157	0.5
203.05386	0.7
211.13423	0.5
214.05486	0.4
235.28346	0.4
243.08475	1.8
251.12688	0.5
335.25854	0.6
456.78143	0.4
469.20374	3.5
519.29285	8.2
524.33618	0.4
588.33545	0.4
641.67188	0.4
747.42914	100.0
748.43292	5.8
751.31830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01875	0.6
55.05518	1.8
56.89024	0.3
57.03437	2.8
57.07086	0.7
61.02929	7.4
67.05509	8.5
68.05861	0.3
69.03429	3.5
69.07075	1.7
69.13940	0.3
70.98486	0.6
71.01360	0.5
71.05000	2.3
71.08633	0.5
73.02910	4.5
79.05489	4.6
81.03419	3.3
81.07059	5.9
81.07519	0.6
83.04982	0.5
83.08627	1.2
85.02905	6.1
87.04472	1.0
91.03961	3.8
91.05476	3.0
93.07056	4.5
95.04982	0.9
95.08609	5.2
97.02898	5.6
97.06551	0.8
97.10153	0.4
99.04453	0.9
101.02387	2.2
103.03961	0.7
105.07042	1.4
106.86738	0.3
107.08595	2.3
109.02877	0.8
109.10164	2.9
111.04462	0.5
111.08077	0.4
115.03949	0.4
117.07006	0.8
117.47366	0.3
119.08580	2.3
121.10167	1.4
123.11671	0.4
127.03915	1.3
129.07002	0.4
131.08607	1.1
132.92067	0.3
133.10156	0.9
135.11728	2.1
137.09656	1.0
140.43666	0.3
145.10161	1.3
145.88910	0.3
147.11719	0.5
153.79774	0.3
159.11751	0.5
161.13304	0.3
163.11261	0.4
173.11755	0.5
185.04269	0.8
203.05365	0.7
206.77632	0.3
229.14368	0.4
243.08432	1.9
253.14011	1.5
267.16037	1.2
303.63376	0.4
313.27557	1.2
335.25916	0.5
469.20486	0.5
471.22095	4.1
497.30756	0.4
505.39063	0.5
519.29321	8.8
521.31158	0.8
749.44440	100.0
750.44818	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	752.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05512	10.2
57.03444	13.1
57.07081	26.5
57.61070	1.7
67.05508	21.9
69.03416	2.7
69.07071	8.4
69.34800	16.6
71.04992	2.5
71.08633	21.5
76.02825	1.8
79.05495	11.3
81.03420	61.4
81.07062	27.4
83.04993	3.0
83.08620	23.6
83.86922	1.7
85.02894	2.9
85.06593	2.1
85.10188	13.4
90.11924	1.6
91.05482	14.7
93.07047	9.9
95.04969	17.3
95.08611	21.6
97.06536	1.9
97.10154	5.3
105.07027	13.3
107.04956	3.6
107.08588	5.0
109.02905	2.0
109.06538	2.7
109.10148	16.3
111.08115	4.3
119.08582	9.2
121.06485	1.9
121.10145	5.7
123.11707	3.0
129.07025	6.2
131.08553	4.9
133.06496	2.1
133.10130	2.9
135.11780	2.1
142.07765	2.2
145.10092	2.9
147.11641	3.6
149.09613	2.1
154.68607	1.9
157.10150	7.8
159.11717	1.6
175.11198	5.6
178.08510	1.6
193.12268	22.6
207.78081	1.6
211.13216	2.0
214.32520	2.0
215.38922	1.7
229.14372	2.6
235.13286	2.0
249.14600	2.5
257.24823	3.0
262.25266	4.2
267.15936	100.0
268.16086	2.1
313.27374	96.1
314.27679	2.8
337.27588	3.1
505.38947	78.2
506.39273	5.5
547.39783	2.8
642.71722	1.8
647.56409	2.1
752.46039	33.1
753.45422	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	755.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	1.9
57.64498	0.3
61.02894	0.4
68.80103	0.2
69.03429	1.7
69.07040	0.3
70.06528	1.4
71.04980	0.3
71.60414	0.4
72.08157	15.7
72.08518	1.0
79.05428	0.6
81.03348	1.2
81.07021	0.5
85.02904	1.6
87.04426	0.5
89.03838	0.3
91.05413	1.1
94.04120	0.8
95.04935	0.4
97.02811	1.1
98.06063	4.4
99.09119	0.3
103.05417	0.5
107.04859	0.5
109.02837	0.4
109.06493	0.4
112.59385	0.3
115.08708	2.8
117.06983	0.6
119.04856	0.8
119.08507	0.3
121.02796	0.5
121.06510	0.3
122.03578	1.2
127.03827	0.4
127.08669	0.4
131.04892	0.7
133.02769	0.7
133.06445	0.3
135.04317	0.8
137.05981	14.9
142.48880	0.3
145.02762	0.4
145.04903	0.4
145.06302	0.3
147.04369	0.8
149.02249	0.4
149.05933	0.5
150.03004	0.4
151.03819	0.8
152.07010	0.6
153.00735	0.4
153.01837	5.6
161.05902	0.3
163.03816	1.0
164.04681	1.9
167.06960	1.0
168.04202	0.4
175.03813	0.9
176.04611	0.4
177.05383	1.1
181.04938	0.3
187.10925	0.3
189.05388	0.3
191.03340	0.6
206.11652	0.7
207.06493	1.1
213.05392	1.2
220.30272	0.3
227.06989	0.4
235.14311	0.4
241.04930	2.8
246.11180	0.7
255.02678	0.3
255.06435	0.5
257.04385	1.2
258.05215	0.6
263.13913	4.4
264.14450	0.3
269.04330	1.0
270.05103	1.2
272.06763	0.8
273.07501	1.0
283.05890	0.5
284.06696	0.4
286.04605	1.3
298.04642	1.1
299.05441	0.7
301.06973	1.3
313.07104	3.1
314.07056	0.5
315.05042	1.5
315.08578	11.8
326.04025	0.4
327.04910	0.5
328.05829	4.2
329.06561	6.2
330.09995	1.7
331.08160	6.5
341.06534	6.5
342.06876	0.4
369.20273	0.3
376.05801	0.4
387.09006	0.4
388.05847	0.7
390.07275	0.3
391.08038	1.8
401.16412	0.3
402.07346	0.3
403.08063	3.0
405.09586	0.7
411.68546	0.3
417.09598	2.0
418.06961	0.6
419.07632	26.3
420.07993	1.2
433.09109	3.0
445.09372	0.5
446.10129	0.6
447.07056	10.7
448.07288	0.4
449.12234	0.4
461.08578	0.5
462.09457	100.0
463.09778	4.2
473.08670	2.6
477.12671	1.0
479.13422	8.7
480.13815	0.3
487.98605	0.3
491.09872	1.0
498.07544	0.3
505.11285	6.9
522.13483	0.7
576.18658	12.1
577.18939	0.7
593.21332	50.2
594.21771	2.6
624.14722	2.4
667.16986	0.4
738.24036	4.4
752.64276	0.3
755.26556	19.8
756.26904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01884	1.4
55.05502	5.2
56.05040	6.5
57.03433	2.3
58.99588	20.2
61.01132	1.5
61.02938	8.0
64.21109	1.2
65.03947	1.6
67.05170	2.0
67.05509	26.3
68.05027	3.4
69.03421	4.4
69.07083	5.8
70.02972	1.8
70.06598	6.1
71.03849	3.3
71.04991	2.1
72.08154	2.7
73.02924	1.9
74.00648	2.3
76.01814	2.2
76.02233	41.8
76.03998	2.8
79.05496	17.0
79.98160	1.2
80.05003	4.1
80.47112	1.3
81.03443	3.2
81.07061	33.5
82.06567	3.9
83.04984	3.1
83.06110	8.2
83.08641	6.6
84.04511	15.7
85.01108	1.8
85.02918	7.6
85.06548	3.0
86.00669	7.1
86.09702	1.7
86.99059	6.9
87.02690	2.5
88.02225	5.8
88.04008	1.5
91.03953	3.0
91.05487	17.9
93.07054	25.3
94.06570	4.3
95.04962	3.6
95.08614	9.5
96.04498	2.3
96.08143	1.8
97.01118	15.9
97.02888	4.7
97.06519	5.6
98.06034	1.3
99.02660	2.8
99.04417	1.3
99.05583	2.9
99.08089	2.2
100.02194	2.2
102.05550	8.2
104.07169	1.4
105.07034	6.5
107.06083	1.5
107.08593	13.2
109.02879	1.7
109.10156	4.1
110.07166	2.7
111.02682	20.0
111.08084	4.7
112.02184	1.5
114.03728	3.8
114.05569	1.3
116.01688	35.8
117.07024	6.0
119.04979	2.7
119.08577	4.5
120.08157	1.9
121.02853	1.5
121.06504	1.6
121.10159	8.5
123.02628	3.3
123.11716	2.9
124.02222	1.5
127.03949	2.7
129.06592	11.7
129.19843	1.4
130.05026	8.9
131.08601	9.1
133.10132	10.7
135.04457	1.4
135.08055	2.3
135.11708	7.4
136.03932	3.8
137.04213	10.7
137.05943	2.3
139.03859	1.5
141.04828	2.3
141.41142	1.4
142.03259	10.0
143.02737	2.5
144.01155	14.9
145.02841	1.3
145.06078	4.2
147.04414	2.8
147.11673	2.8
149.04256	2.1
149.09575	2.4
149.13269	16.5
151.05782	2.1
151.11154	4.3
153.06636	1.8
157.09984	1.3
159.08083	1.6
159.11703	10.3
161.04134	1.5
161.05977	1.5
162.02216	33.6
165.07355	2.3
167.07071	2.7
170.02702	3.9
173.13110	4.0
174.12767	1.3
175.03903	1.7
177.05458	2.0
177.12744	8.7
179.03381	2.0
179.04872	31.0
181.06157	2.0
183.08376	2.5
183.11626	1.4
186.07639	2.8
187.05388	5.5
189.03322	2.8
191.08893	2.6
193.06075	1.7
194.15395	3.6
195.13782	7.4
205.06366	1.7
206.15436	1.6
207.06587	7.9
207.11984	3.0
208.06145	1.2
209.09982	1.7
209.13470	1.6
211.07167	1.3
212.16435	2.5
215.04837	4.0
217.10451	5.3
218.04866	1.7
218.15404	3.0
223.11404	1.4
224.16484	4.6
225.13013	2.7
226.12575	5.1
233.05994	8.0
235.11501	8.8
245.05957	3.9
249.11185	6.0
252.14149	19.7
252.16504	1.7
253.12534	3.7
269.17511	24.9
270.14975	7.9
280.13470	1.8
282.20724	1.5
286.19980	1.7
289.04651	1.5
291.06644	3.5
298.14734	2.6
308.09061	9.1
309.15646	1.6
312.12631	1.9
326.17853	4.0
327.16797	4.6
344.18677	5.8
354.17148	1.7
355.16916	3.6
362.20065	1.7
372.18292	2.8
373.17725	3.3
380.20743	2.6
381.18033	1.4
399.19308	2.2
427.19064	2.2
429.20602	21.5
430.19260	3.0
447.21631	100.0
448.21790	3.2
455.21997	2.0
465.22797	20.9
501.22760	7.6
502.22409	2.6
513.22736	2.8
519.23853	17.5
558.24915	9.8
576.25873	29.3
577.25641	1.6
594.27008	73.7
595.26941	4.6
613.85883	1.2
733.62524	1.3
756.32385	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	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23161	0.7
55.01865	3.6
55.05513	12.4
55.52327	0.7
57.03442	6.3
57.09388	0.7
58.66830	0.8
64.50941	0.6
65.03953	0.9
67.05505	18.5
69.03428	2.5
69.07062	5.3
71.04955	5.1
79.05499	16.0
81.03422	43.1
81.07063	13.9
83.04993	3.7
83.08624	13.2
85.02927	1.7
85.06548	2.1
91.05480	15.4
93.07047	10.8
95.04977	18.4
95.08615	7.6
97.02906	0.9
97.06535	2.7
97.10175	13.6
99.08117	0.8
105.07027	10.9
107.04964	12.5
107.08613	10.6
108.08923	0.9
109.02864	1.0
109.06518	6.3
109.10136	4.7
111.04467	0.9
111.08069	4.7
115.05479	2.0
117.07024	3.7
119.04970	0.9
119.08601	8.9
121.06511	8.5
121.10139	7.6
123.04440	1.5
123.08060	3.4
125.09657	10.8
127.03925	1.0
129.07024	7.3
131.04953	1.2
131.08578	8.4
133.06508	3.9
133.10141	3.8
135.08052	5.1
135.11705	2.0
137.05972	0.9
137.09627	1.5
141.06967	1.0
142.07716	0.9
143.08533	1.1
145.06502	5.3
145.10143	3.1
147.04425	2.0
147.08034	4.5
147.11665	4.2
149.09650	4.9
153.09113	2.6
155.08620	1.3
157.06497	1.4
157.10144	5.9
159.08093	2.0
159.11725	2.0
161.06012	1.5
161.09599	2.1
163.11198	3.1
165.12820	1.4
167.08566	0.9
169.10149	1.6
171.08099	1.7
171.10245	1.8
171.11641	1.2
173.09595	1.3
173.13211	1.7
175.11186	4.7
185.09566	1.0
187.11180	1.1
187.14874	1.3
189.11214	4.6
189.12793	1.5
191.14240	1.2
193.12271	13.8
195.11775	1.5
197.13181	1.2
199.11208	1.8
199.13188	0.9
201.12846	1.0
205.12234	2.5
211.13159	1.0
211.14920	0.9
213.12737	1.1
215.14336	1.8
217.12224	1.2
219.13814	1.9
223.13271	1.5
225.12753	1.0
227.12674	1.9
231.13829	1.3
233.15450	3.1
235.13358	1.5
237.12672	0.9
242.36267	0.7
245.15204	1.4
249.14867	1.7
255.13892	1.8
259.13348	1.4
267.15909	36.3
268.16403	1.2
273.14700	5.5
281.15833	0.8
293.17432	1.4
312.54736	0.8
315.04913	1.0
339.23206	1.6
349.21686	5.2
357.24268	1.4
367.22720	14.5
385.18692	1.3
385.23703	23.9
386.23895	1.0
403.24844	7.9
441.26389	9.1
449.12259	5.7
459.27451	100.0
460.27573	4.4
477.28525	80.8
478.28961	5.0
491.29977	11.8
501.28317	2.3
509.31180	5.7
541.33478	1.6
567.29291	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.9
53.03939	3.2
55.01878	3.5
55.05516	21.7
57.03183	0.9
57.03443	12.7
57.07085	1.6
59.04991	2.2
61.02924	4.1
65.03925	2.3
67.05507	50.6
69.03426	2.5
69.06718	0.7
69.07072	12.2
70.08627	3.5
71.01334	0.7
71.04987	2.3
73.02898	2.4
79.05497	36.5
81.03428	5.3
81.07061	53.0
82.97840	0.7
83.04992	4.1
83.08625	14.1
83.16992	0.8
85.02920	3.8
85.06529	2.2
91.03955	1.8
91.05480	34.8
93.07049	47.8
95.04965	6.6
95.08611	37.7
95.09232	1.4
97.02907	6.8
97.06532	4.1
97.10168	2.8
99.00822	14.4
99.04444	0.9
99.08069	1.7
103.05461	1.9
103.64859	0.7
105.04517	1.1
105.07037	26.2
107.04952	6.3
107.08597	27.4
109.02881	12.3
109.06532	3.9
109.10163	18.5
111.04452	1.9
111.08079	4.7
113.05965	0.9
115.03918	2.4
117.07012	6.9
119.04965	0.8
119.07780	1.3
119.08592	19.0
121.06551	5.5
121.10139	16.7
123.04427	1.7
123.08070	2.1
123.11721	7.9
127.03899	3.0
128.06197	1.7
129.07071	0.8
131.08572	10.1
133.06487	1.3
133.10136	41.0
135.08063	1.6
135.11708	10.9
137.05962	0.9
137.09616	2.2
137.13246	1.2
139.07532	2.3
141.07043	0.7
143.08553	6.3
145.06541	1.2
145.10132	7.0
147.04387	0.9
147.08035	1.0
147.11670	5.2
149.13280	6.3
151.11195	10.7
153.06989	1.0
157.10168	0.7
159.11699	5.4
161.09630	19.1
161.13260	3.5
163.11214	1.7
163.14853	3.7
165.09070	1.0
171.08076	3.8
173.13263	4.8
175.14807	2.0
177.16382	0.9
179.10677	8.8
184.07317	3.5
187.14882	2.4
189.09102	8.7
197.11720	2.5
199.22398	0.8
201.16368	0.8
207.10132	3.3
215.18025	0.8
225.11223	15.0
225.13333	1.2
227.12822	1.1
233.22517	1.0
243.12215	3.4
243.21082	5.8
261.22159	20.4
277.21597	1.9
281.14014	3.8
289.59653	0.7
299.14896	88.0
300.15332	2.1
315.23221	2.9
317.24600	3.7
319.42422	0.8
335.25812	100.0
336.26202	1.9
372.72906	0.7
421.31015	1.1
449.30692	1.8
467.31625	4.6
485.32596	3.3
511.73468	0.8
513.15448	0.7
513.35565	2.3
515.36938	1.2
531.37054	2.3
541.35449	7.7
559.36298	47.3
560.36334	3.0
577.37689	1.2
638.33423	0.7
717.24878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	4.0
53.03941	4.0
55.01872	4.1
55.05518	18.6
57.03442	12.9
57.07076	2.8
59.04998	2.2
60.08170	0.8
60.39192	0.8
61.02935	5.3
65.03939	2.3
67.05508	45.7
69.03419	1.7
69.07078	11.3
69.31136	3.9
69.31563	4.9
71.01353	1.8
71.05008	1.2
73.02924	1.7
79.05499	34.4
81.03445	4.7
81.07064	45.6
83.04980	3.8
83.08621	13.1
85.02905	3.5
85.06549	1.7
86.09717	1.3
91.03979	1.1
91.05489	32.8
93.07052	38.2
95.04962	5.7
95.08610	28.2
97.02907	6.5
97.06541	3.8
97.10165	3.5
99.00821	17.4
99.08105	1.1
103.05470	1.2
105.07037	25.1
107.04973	4.7
107.08598	20.0
109.02871	9.9
109.06536	4.0
109.10165	17.0
111.04459	1.7
111.08074	4.6
115.03922	2.0
117.07034	8.1
119.08585	17.2
121.06514	7.1
121.10146	15.7
121.11002	1.2
123.04382	1.8
123.08109	1.9
123.11707	8.3
124.99992	1.2
127.03931	3.3
127.28220	0.9
128.06233	2.5
129.07013	1.4
131.08563	9.0
133.06526	2.4
133.10136	44.7
135.08049	2.1
135.11702	8.8
137.05989	2.0
137.09641	2.0
137.13242	1.2
139.07556	2.8
143.08551	5.2
145.06474	1.0
145.10126	5.7
147.08066	2.0
147.11661	4.7
149.13280	4.1
151.11191	11.4
151.14809	1.0
159.11716	2.5
161.09657	16.7
161.13300	3.3
163.11298	1.1
163.14835	3.9
169.12209	1.3
171.08090	3.3
173.13321	3.9
177.02231	1.2
179.10672	9.5
184.07378	3.7
189.09180	8.9
197.11769	2.5
207.10193	3.4
225.11223	16.8
243.12279	3.7
243.21051	5.4
261.22159	16.8
273.26837	0.9
281.13858	4.3
299.14908	100.0
300.15366	2.8
315.23148	3.6
317.24783	3.3
335.25815	80.7
336.26108	2.8
423.31702	1.0
439.31894	1.0
449.30469	2.4
467.31641	6.3
485.32614	2.8
513.35535	1.7
515.37292	1.3
541.35254	5.6
559.36310	31.3
560.36646	2.3
767.48938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.4
55.01873	3.6
55.05287	2.1
55.05515	21.3
57.03445	19.0
57.07076	2.4
59.04993	1.7
61.02911	2.8
65.03928	2.2
65.35619	1.3
65.41600	1.4
67.05507	74.9
69.03431	4.9
69.07076	19.8
69.22153	16.0
71.04977	5.0
79.05051	2.7
79.05502	51.7
81.03423	85.2
81.07063	75.0
81.96943	1.4
82.07410	1.7
83.04983	7.0
83.08627	22.7
85.02901	3.7
85.06541	3.1
86.96796	1.3
91.05483	40.9
93.06457	3.0
93.07052	61.3
95.04974	28.9
95.08038	2.7
95.08612	48.1
97.02895	2.9
97.06521	4.4
97.10168	7.7
98.21510	2.6
99.08075	3.2
105.04495	1.8
105.07034	35.7
105.83550	1.6
107.04974	8.4
107.08601	33.7
109.06496	7.1
109.10163	27.3
111.08090	7.6
115.05468	2.9
117.07037	10.1
118.08604	1.6
119.08585	24.5
121.06518	5.4
121.10159	25.1
123.04447	1.6
123.08076	3.3
123.11713	7.2
125.03561	1.7
125.09630	6.1
128.06232	2.1
129.07037	8.5
131.08569	21.3
133.06517	2.9
133.10146	22.1
135.08061	3.1
135.11714	13.6
137.09616	2.3
137.13199	2.7
143.08557	3.6
145.10138	11.6
147.08031	3.7
147.11678	11.1
149.09604	6.0
149.13283	7.4
151.11180	6.5
157.10124	13.9
159.11682	6.8
161.09656	2.4
161.13281	6.0
163.11186	3.4
163.14862	3.7
165.12720	2.7
169.88785	1.4
171.11703	2.7
173.13232	6.3
175.11211	6.9
177.12662	1.5
177.16324	2.0
179.44986	1.3
184.07388	5.2
185.13306	3.4
187.14839	3.7
189.11227	4.6
193.12267	21.7
195.11844	1.6
205.15959	2.3
225.11153	1.5
227.12793	5.3
235.13194	2.3
243.21155	4.6
249.14894	3.3
261.22150	23.6
263.57040	1.5
267.15936	86.2
283.15710	1.9
299.14966	19.7
301.25345	5.6
309.16959	3.3
317.24789	3.8
335.25812	100.0
336.26196	2.5
372.07541	1.5
421.25751	1.6
435.27179	1.8
435.32611	4.8
453.33389	6.9
471.34479	4.1
527.37402	53.4
528.37720	1.9
545.38452	35.6
546.38867	2.1
559.36298	10.2
569.38074	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	757.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90658	0.4
55.01854	0.6
61.22561	0.4
63.02362	0.8
68.99792	0.4
69.03416	1.7
69.10196	0.4
70.06578	1.4
70.76616	1.3
72.08141	0.8
76.40668	0.4
78.04670	0.5
79.05480	0.9
81.03414	4.4
84.04502	0.5
85.02903	1.8
89.03403	0.4
89.03926	7.4
91.05487	1.2
98.97518	0.4
99.04449	0.5
103.05489	0.8
109.02872	1.9
111.57009	0.4
117.03381	20.9
119.04921	1.1
121.02888	1.4
127.03932	0.8
131.04944	0.7
134.03632	1.2
135.04445	2.3
137.02353	3.4
137.06007	0.8
138.06374	0.5
145.02850	53.0
146.03180	0.8
147.04422	1.8
149.05983	6.0
151.03941	0.4
152.94736	0.4
161.02336	1.7
162.36592	0.5
163.03909	2.8
165.01866	4.5
167.03351	0.8
167.07042	1.1
175.03990	1.4
177.05473	100.0
178.05832	1.9
179.03383	1.7
181.04927	1.0
183.02919	1.7
186.05405	1.0
191.03391	1.2
193.04877	0.5
195.06558	0.7
203.03392	1.5
207.06552	1.3
210.92583	0.4
218.79807	0.5
221.04594	0.5
229.04845	0.6
283.05884	2.0
287.05505	3.0
295.06064	1.6
297.07550	4.0
299.05505	27.3
300.06235	1.9
309.07507	1.7
311.05548	5.0
313.06973	4.7
321.09909	4.1
323.05441	2.0
325.07083	11.6
327.08578	0.9
329.06549	12.3
330.06610	0.6
337.07059	14.3
339.10629	4.0
341.06616	2.5
342.07278	0.6
353.06580	14.4
355.08069	1.5
365.06567	13.3
366.07074	0.5
383.07629	19.2
384.07791	0.6
401.08624	5.4
421.08237	0.6
462.09744	1.1
463.09619	1.5
464.10205	1.2
513.09625	0.7
545.12909	0.7
553.76477	0.4
595.21344	2.1
597.11987	0.6
637.15497	8.8
638.15704	0.6
667.16492	2.9
691.16467	8.7
695.59705	0.6
703.17352	0.6
721.17651	13.6
739.18628	7.6
757.19952	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	757.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01880	0.4
56.96550	1.1
57.03437	0.5
61.02912	1.0
64.29131	0.4
69.03421	1.2
70.06566	0.4
71.60265	0.6
74.97601	0.5
77.58568	0.5
79.05489	0.6
81.03392	1.2
84.08158	0.5
84.96019	0.6
85.02901	3.5
87.23644	0.4
95.04977	0.7
97.02875	1.5
98.97575	2.4
107.04955	0.4
109.02872	1.6
116.98604	0.8
119.04939	2.1
121.02868	5.6
121.85027	0.5
135.04399	0.4
142.05208	0.5
145.02808	1.9
145.05037	0.5
147.04364	0.7
149.02341	1.2
158.99635	1.2
161.01245	0.5
163.03914	4.0
164.04260	0.5
165.01837	7.0
167.03421	1.9
167.07051	0.7
177.00647	0.8
177.05486	1.0
179.03427	0.6
181.04919	0.7
183.02913	2.2
186.91718	0.4
187.03929	1.1
191.03426	1.0
195.02852	1.7
205.04979	0.7
207.02936	0.6
207.06583	0.7
219.01776	1.5
229.04970	0.7
237.02831	2.5
239.07054	0.8
243.02803	1.2
256.07288	0.5
257.06918	0.5
261.03723	0.6
267.06558	8.2
270.05368	1.9
271.06018	7.1
279.06689	0.6
280.07449	0.5
281.08075	8.2
283.06018	100.0
284.06720	7.0
285.07501	0.7
291.06628	0.6
294.04999	1.0
295.02774	0.9
295.06018	12.0
295.09625	2.5
297.07498	2.7
305.08054	2.8
307.06030	2.5
308.06860	1.9
309.03989	1.9
309.07550	23.3
311.05579	0.7
313.07065	68.8
314.07391	1.3
317.09091	2.8
321.07596	3.3
323.09122	16.1
325.07092	1.7
333.07529	3.9
335.05457	0.5
335.09995	1.7
337.07068	34.0
338.07504	0.7
349.07071	11.4
351.08533	3.8
359.10114	3.8
361.07040	10.9
367.08102	6.5
377.11157	0.9
379.08118	19.3
380.08667	0.5
397.09161	11.4
403.08548	0.8
409.09158	0.6
415.10254	9.1
433.11218	1.0
445.11288	8.5
457.11365	1.3
475.12381	21.7
476.12521	0.6
499.12335	14.2
511.12173	1.0
523.12195	0.6
529.13446	19.5
530.14020	1.0
541.13318	7.6
559.14532	14.8
577.15546	28.8
578.15607	1.3
595.16565	5.0
596.18115	0.5
619.16272	0.7
637.17511	1.3
661.16821	0.5
691.18677	0.5
739.20081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.7
53.04155	1.4
55.01875	7.8
55.02098	1.5
55.05511	21.1
57.03438	15.7
61.02914	4.3
65.03935	3.0
67.05504	63.8
69.03429	2.6
69.07063	20.0
69.44995	10.8
71.01375	2.8
71.04978	3.7
73.02917	1.6
79.05048	2.8
79.05497	55.1
81.03415	19.9
81.07059	69.2
83.01334	2.5
83.04998	12.6
83.08627	10.8
85.02896	7.5
85.06519	3.3
91.03922	1.4
91.05487	29.8
93.07047	69.0
95.04983	10.7
95.08611	49.6
97.02882	11.6
97.06535	10.2
97.10163	4.6
99.04452	2.3
105.07034	21.0
107.04959	12.8
107.08592	34.5
109.02879	1.5
109.06499	7.4
109.10159	20.9
111.04424	8.5
111.08073	4.3
111.11674	1.8
117.07014	11.2
119.08594	21.7
121.06525	4.5
121.09292	2.5
121.10149	39.9
123.08075	4.9
123.11715	6.2
125.05979	1.7
125.09643	3.3
129.06995	3.1
130.07785	2.1
131.08598	13.7
133.10141	9.7
135.08096	2.4
135.11703	26.4
137.09570	2.2
139.07513	1.4
139.11177	3.3
143.08543	2.8
145.10126	25.9
147.08015	3.6
147.11688	6.0
149.09604	3.1
149.13243	5.9
153.12779	10.0
155.08562	4.2
157.10196	2.0
159.11694	5.9
161.13278	2.3
163.09834	2.2
163.11191	32.8
163.14821	2.7
166.19688	1.5
173.09598	5.8
173.13231	3.9
175.14885	1.6
181.12248	9.4
184.07320	2.8
185.11658	1.7
187.11166	1.4
187.14821	2.1
191.10695	10.3
209.11737	22.5
209.13597	1.7
222.51143	1.3
227.12790	17.6
243.21022	5.2
245.13821	8.7
259.20526	2.2
261.22119	12.6
265.14328	3.5
279.23431	1.8
279.27744	1.3
283.15448	28.4
297.77142	1.3
301.16473	66.2
302.16797	3.3
317.24759	3.0
335.25821	100.0
336.26212	3.0
337.26419	1.2
422.52332	1.4
433.31201	2.3
451.32153	3.9
469.33081	4.2
525.35779	6.9
543.36841	42.9
544.37091	2.3
561.37878	81.7
562.37689	4.3
746.24371	1.3
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
53.03940	7.0
55.01862	10.9
55.05517	30.1
57.03440	19.7
57.07062	3.9
59.04976	2.6
61.02908	7.8
65.03939	4.9
67.05507	100.0
69.03413	5.1
69.06779	1.7
69.07079	21.7
69.29881	17.7
71.01349	3.2
71.04984	5.9
79.05498	75.7
81.03425	16.1
81.07060	80.3
82.67540	1.8
83.01342	2.9
83.04993	22.6
83.08617	14.8
85.02901	12.8
85.06536	4.2
91.03931	2.6
91.04948	3.3
91.05484	45.3
93.07050	83.4
95.04958	17.4
95.08614	63.8
97.02901	13.8
97.06557	11.0
97.10170	5.8
98.21481	3.7
99.04431	3.2
99.08099	3.0
103.83468	1.9
105.07038	33.1
107.04968	14.3
107.08601	46.2
109.02824	2.2
109.06503	9.0
109.10156	29.4
111.04451	13.8
111.08078	5.0
111.11747	1.8
117.07021	18.1
118.68635	2.0
119.08590	27.8
121.06484	6.1
121.10152	33.8
123.08073	7.6
123.11714	4.8
125.09619	5.1
129.07001	6.1
130.07826	2.3
131.08582	23.6
133.06454	1.9
133.10138	21.6
135.08035	5.3
135.11714	31.1
137.09595	4.4
143.08546	7.6
145.06487	5.2
145.10130	28.5
147.08035	5.7
147.11668	8.6
149.09616	3.5
149.13261	8.6
151.11127	3.3
153.12759	8.9
155.08543	4.5
157.10146	5.0
158.33408	1.8
159.11758	9.8
161.09680	3.4
161.13266	5.7
162.43033	2.0
163.11211	32.2
163.14682	2.5
169.10085	2.2
171.11685	4.1
173.09605	6.6
173.11868	2.0
173.13268	6.7
175.11276	2.5
175.14664	2.1
181.12225	6.6
183.11678	2.5
184.07262	2.4
185.13248	3.6
187.14844	2.6
189.11115	2.5
191.10687	9.8
197.13214	1.7
201.16321	2.8
209.11720	28.9
209.13574	2.7
213.16586	2.1
227.12796	16.1
229.14211	2.5
243.21095	4.4
253.14441	2.3
261.22144	12.7
273.22122	3.2
283.15417	39.4
299.14920	3.4
301.16476	45.8
301.21741	2.4
315.23175	2.9
317.24805	4.3
335.25821	84.1
336.25974	3.5
433.31317	4.8
451.32028	9.5
469.32837	7.6
487.33939	2.8
525.36090	13.6
526.36835	2.1
543.36859	70.0
544.37085	3.4
561.37811	41.9
562.38605	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
55.01869	5.4
55.05299	2.0
55.05517	27.4
57.03433	16.1
57.07077	3.0
61.02918	8.3
65.03934	5.8
67.05506	92.2
69.03422	4.3
69.06709	2.4
69.07069	28.7
70.83893	5.3
71.04986	7.4
73.02920	2.3
77.03892	2.1
79.05496	65.1
79.97622	1.8
81.03405	10.1
81.07060	75.4
83.04995	16.3
83.08622	16.0
85.02895	7.3
85.06522	2.5
91.05482	56.1
93.07047	76.5
95.04973	18.1
95.08611	56.4
97.02880	9.5
97.06512	9.2
97.10168	6.3
99.04458	4.0
99.08086	3.3
104.47359	1.6
105.07031	42.0
107.04942	12.2
107.08595	44.7
109.06485	8.7
109.10156	37.3
109.97879	1.9
111.04459	13.6
111.08077	6.0
113.05957	4.7
113.09599	3.0
115.05481	2.7
117.07009	21.2
119.08582	35.0
121.06499	5.0
121.10143	34.2
123.08054	5.5
123.11708	7.2
125.05991	3.0
125.09613	5.4
128.06203	2.4
129.07008	10.4
130.07762	3.4
131.08572	28.0
133.06480	4.2
133.10130	26.7
135.08040	8.5
135.11707	27.7
137.09628	5.1
137.13261	2.5
141.06985	4.5
142.07738	2.5
143.08575	9.6
145.06467	4.5
145.10124	31.9
147.08041	6.2
147.11703	17.4
149.09631	10.6
149.13252	7.3
151.11212	5.5
153.09128	2.6
153.12683	1.9
154.07837	1.8
155.08530	5.8
157.10146	7.5
159.08058	3.6
159.11690	12.4
161.09628	5.2
161.13321	9.3
163.11177	15.6
169.10150	4.6
171.11682	9.1
173.09634	6.8
173.13263	10.0
174.40108	2.0
175.11232	2.8
177.16365	2.5
181.10080	3.1
181.12173	2.1
183.11659	5.9
185.13261	6.7
187.11227	2.3
187.14796	6.3
189.12773	3.3
191.10654	8.7
195.11728	3.1
197.13297	2.8
199.11266	2.7
199.14847	5.0
201.12804	2.1
209.11676	19.4
209.13318	3.2
213.16403	2.0
223.14906	2.7
227.12779	6.6
227.16316	4.3
229.14328	6.0
243.21034	3.2
253.14333	3.8
255.15854	5.4
259.20563	3.7
261.22174	7.8
273.22104	7.7
277.21628	2.3
283.15411	69.7
285.16968	3.4
289.21567	4.7
297.22192	2.4
299.19992	5.3
301.16434	11.1
301.21558	4.1
313.21634	3.1
315.19949	2.0
315.23102	9.4
317.21069	4.2
317.24710	2.8
333.24146	3.4
335.25864	51.1
336.26218	2.9
339.22964	2.3
357.24164	2.1
373.23773	4.2
433.31110	8.7
451.32019	13.4
469.33163	13.2
487.34070	6.2
515.37134	5.1
525.35699	26.1
543.36829	100.0
544.37177	6.4
561.29559	3.7
561.37805	35.1
581.66266	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	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
54.95752	0.9
55.01862	1.6
55.05510	15.4
56.02658	0.8
57.03442	7.9
57.07063	2.8
59.04993	1.5
61.02925	3.0
65.03938	3.5
67.05506	70.8
69.03420	1.5
69.07072	13.8
71.04639	1.6
71.04998	21.5
71.48512	0.8
73.06550	1.2
75.15133	0.7
79.05495	42.5
81.03429	1.6
81.07059	100.0
83.05005	4.0
83.08625	10.3
85.02901	3.3
85.06546	7.7
91.05482	30.0
93.07048	43.0
95.04980	4.6
95.08608	31.1
97.02889	1.2
97.06526	4.3
97.10178	2.3
99.04459	0.9
99.08125	1.1
105.04520	1.2
105.06399	0.6
105.07024	19.6
107.08600	23.0
109.06524	2.4
109.10161	14.6
111.08082	2.7
117.07027	6.4
119.08600	7.9
121.10150	18.3
123.08112	1.8
123.11716	14.4
124.99974	1.3
125.09569	1.2
131.08575	10.4
133.09212	1.6
133.10139	19.4
135.11697	12.3
145.10152	5.1
147.11714	4.6
149.13269	7.5
151.11177	6.0
159.11674	6.7
161.13232	3.2
165.12737	0.8
173.13258	2.2
175.14783	1.1
177.12752	2.3
183.13782	3.6
184.07362	2.5
185.13234	1.0
187.13292	3.1
187.14822	1.4
195.13826	2.3
201.14719	1.1
227.16397	2.9
243.21104	1.3
257.17535	1.4
259.20758	1.0
261.22125	2.5
269.17517	5.3
285.17114	0.8
301.20068	18.0
335.25821	29.7
393.31534	1.2
397.48871	0.9
411.32571	1.1
437.34018	0.9
485.36288	3.7
503.37335	94.0
504.37796	4.1
511.37766	1.2
517.39337	4.1
529.38898	13.2
530.39392	1.1
561.41510	84.2
562.41675	4.0
669.98761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
54.04286	0.6
55.01876	1.8
55.05510	1.1
57.03436	1.7
60.98044	0.5
61.02935	1.3
62.27751	0.5
65.03925	0.6
66.28491	0.5
67.01873	3.1
67.05505	1.2
69.03435	28.1
69.07078	0.7
70.06592	1.9
70.55411	0.5
71.04999	4.2
71.59973	0.8
73.02928	0.9
74.06074	3.3
79.05480	2.2
79.92994	0.5
81.03423	62.1
81.07061	1.2
82.03746	0.7
83.01338	1.1
83.04993	1.3
84.08161	0.5
85.02911	24.0
86.09699	0.6
91.05502	2.8
93.07042	1.1
95.04980	2.0
95.08602	1.2
97.02901	28.7
98.03188	0.5
98.97587	1.1
99.04462	10.8
103.03934	1.3
103.05490	0.7
105.07035	1.7
107.04959	1.4
107.08591	1.4
109.02886	100.0
109.10126	1.2
110.03207	1.5
111.04444	1.9
115.03982	1.0
115.05437	0.7
117.02544	0.5
117.03370	0.9
118.08668	6.6
119.04952	2.9
119.08608	1.6
121.02880	1.0
121.10173	0.6
123.04456	1.3
123.08118	0.6
125.02316	0.8
127.03926	43.2
131.04955	1.3
133.06549	1.3
133.10107	0.7
135.04405	0.8
135.08032	0.7
137.05971	3.5
139.03893	3.3
144.05571	0.6
145.02957	0.6
145.05000	3.3
145.06540	0.6
147.04422	2.9
149.06020	0.8
151.03899	3.1
153.05551	0.5
160.05243	2.1
161.05991	2.0
161.09532	0.5
163.03983	1.0
163.60832	0.5
167.07062	3.5
169.04968	6.4
175.03946	2.2
175.07541	4.6
175.14856	1.8
177.05502	1.6
177.65767	0.5
179.08534	0.6
181.04994	2.3
187.06041	29.1
188.06398	0.7
191.07083	1.3
192.05774	0.7
193.04922	1.3
193.08681	1.0
194.07314	0.8
201.05400	3.7
205.06512	1.5
207.06497	6.0
207.08080	0.7
208.06924	0.9
209.06017	0.7
218.05565	0.7
219.06432	2.7
219.08325	0.9
220.05206	5.5
221.05779	0.8
222.06773	1.5
229.07083	3.3
233.06023	0.7
233.08093	7.1
233.11790	0.6
234.06706	1.5
235.07611	12.7
237.05447	1.3
237.09114	5.8
241.05350	0.5
245.04495	7.0
247.08005	2.5
248.04802	3.7
249.05511	1.7
249.11278	0.6
250.06158	1.3
251.06970	1.5
263.07053	17.0
263.09970	0.9
264.07800	1.5
265.04993	4.8
265.08597	11.1
267.06689	0.6
271.09805	1.1
276.07526	0.7
279.06601	2.5
280.07245	5.4
281.07959	1.0
282.08868	0.7
291.06537	6.0
292.07068	0.7
293.04645	0.8
295.09851	1.2
296.10623	1.6
297.11227	6.5
299.09290	0.9
301.07794	0.6
304.07254	0.7
307.05954	1.9
307.09222	0.6
308.06854	2.7
309.07513	1.1
313.10718	3.2
322.08319	6.6
323.09158	85.5
324.09555	2.1
329.06845	0.7
331.08112	1.0
335.09100	1.4
340.05695	0.5
340.09418	14.1
341.10208	11.1
342.10428	0.6
348.31003	0.8
389.08664	2.5
431.11310	6.0
449.12363	28.6
450.12677	0.9
467.13516	1.1
485.14539	0.7
497.14575	0.7
513.13739	2.2
758.40448	2.2
759.19971	1.2
759.41553	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	760.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01865	1.3
60.04504	0.7
61.02913	1.1
62.59804	0.7
62.79745	0.6
69.03423	2.2
70.06598	4.6
71.12485	1.9
73.02885	0.9
74.06092	0.7
78.04746	0.8
79.05502	3.9
81.03419	11.1
81.07088	1.0
85.02901	8.8
86.09692	0.8
91.05468	3.3
95.04950	2.1
97.02937	3.5
97.03448	0.7
103.05454	4.0
105.07023	2.0
106.04144	0.9
107.04955	10.3
109.02870	1.5
109.06499	0.7
115.05457	8.1
117.07024	17.7
119.04935	1.1
120.08051	0.7
121.02786	0.9
123.04400	3.0
124.05213	1.6
125.05952	0.9
125.33368	0.7
127.03906	2.0
128.06227	2.1
129.06973	2.4
130.04182	1.4
131.04912	1.8
131.08543	2.7
133.06512	1.7
137.05988	1.3
141.06976	2.2
143.04892	1.1
144.05690	2.3
145.05049	1.7
145.06493	39.1
147.04410	2.3
147.08061	1.9
149.05930	1.1
151.03886	1.3
152.04669	1.8
155.06032	7.5
156.05679	7.3
157.06491	1.9
158.07300	1.1
159.08067	5.6
160.05081	1.4
161.05986	3.5
162.07666	1.4
162.26823	0.9
163.03932	1.1
167.07056	42.3
169.07649	0.9
172.05185	0.8
173.05992	70.2
175.03903	0.9
175.07539	2.1
177.05482	1.8
180.08687	2.7
181.04982	1.7
183.06512	1.0
184.05196	2.8
186.06819	1.3
187.07518	7.1
190.06252	39.3
191.06982	3.0
193.08559	2.3
199.48407	0.7
202.06261	5.0
203.07030	7.9
204.07726	1.0
205.08607	100.0
206.09019	2.0
207.06557	3.5
208.05183	1.0
211.07616	1.0
215.07011	1.0
217.08617	46.5
218.09053	1.2
219.08156	1.3
219.10144	3.2
223.09731	1.8
231.08118	1.0
235.09653	31.3
245.09566	0.9
247.07443	2.0
247.09666	8.3
248.08430	1.9
259.07639	1.3
263.10739	1.8
264.07831	0.9
265.10736	52.3
266.11130	1.1
269.08093	2.0
271.09726	2.3
275.07047	1.0
276.07666	1.1
279.10153	1.0
291.10110	1.9
293.07883	1.1
299.09189	0.8
307.09671	1.0
308.10428	1.4
315.08621	5.1
319.09683	1.8
323.12711	2.2
330.11069	8.4
331.11703	3.5
336.09888	1.1
339.12445	1.3
343.11862	1.0
351.12402	3.8
369.12988	1.1
371.14850	2.5
383.14917	10.9
401.15964	16.8
438.38824	0.8
603.51129	0.8
760.28693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01865	5.1
55.05517	21.3
57.03442	20.3
57.07061	2.0
61.02925	3.6
65.03944	1.7
67.05506	72.3
69.03396	2.0
69.07067	22.4
71.04980	5.0
79.05497	54.0
81.03422	96.2
81.07059	73.1
83.04970	8.7
83.08624	25.8
84.86069	1.6
85.02902	3.3
91.04993	1.4
91.05482	45.7
93.07047	52.6
95.04974	29.6
95.08038	3.4
95.08613	54.6
97.02873	3.8
97.06525	7.1
97.10161	7.3
105.04534	2.4
105.07033	32.4
107.04964	9.9
107.08603	29.2
109.06546	4.6
109.10159	23.5
111.08078	8.1
111.37605	1.5
115.05484	3.3
117.07050	11.2
119.08590	29.7
121.06487	5.2
121.10137	24.0
123.08046	4.4
123.11701	6.7
125.09633	6.5
129.07027	13.0
131.08594	24.6
133.06522	3.3
133.10152	17.6
135.08009	2.0
135.11687	15.6
137.09653	3.3
137.13193	1.7
142.07803	4.0
145.10120	13.8
147.08035	4.1
147.11684	16.9
148.13800	1.9
149.09636	6.6
149.13277	7.5
151.11313	1.9
157.10132	11.9
159.11752	8.6
161.13293	6.4
163.11174	2.7
163.14876	3.1
165.12778	4.3
166.27676	1.8
171.11723	3.9
173.13251	5.4
175.11163	9.8
177.16458	2.9
184.07338	2.8
185.13264	2.5
187.14833	5.4
189.11224	5.2
193.12241	25.8
197.13292	2.2
201.16377	2.6
211.13235	2.3
227.12811	6.5
243.21057	5.2
247.16896	2.1
249.14900	2.3
259.20615	2.8
261.22202	19.6
267.15924	100.0
268.16263	3.4
285.16824	2.5
301.25314	6.8
309.16904	6.3
317.24908	3.3
335.25809	87.7
336.26080	4.2
435.32547	5.6
453.33951	10.6
471.34702	5.8
527.37341	63.2
528.37646	5.1
535.63788	2.0
545.38379	44.6
563.38757	2.4
569.38043	4.0
760.43243	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	760.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71873	0.7
55.05510	2.6
57.07079	31.4
66.15785	0.8
67.05507	1.3
69.07069	4.2
71.08636	30.5
71.17343	0.7
71.31952	1.2
73.06560	9.1
81.07072	1.2
83.08608	5.4
85.10188	16.4
85.10703	0.9
87.04472	12.0
89.06036	100.0
91.05490	1.0
91.07652	0.7
93.07080	1.3
95.08603	1.4
97.10195	4.9
99.11736	2.8
107.07067	2.9
111.11740	2.7
113.13295	1.7
117.09137	8.2
125.13281	1.7
125.25191	0.7
127.14871	1.4
130.08659	2.6
131.07048	4.6
133.08609	53.3
135.10173	1.2
140.06908	1.0
141.16402	2.1
161.11774	2.2
173.13232	1.0
175.09644	1.9
177.11217	20.7
179.12889	0.9
184.07437	1.3
197.22690	3.0
206.29744	0.8
221.13837	4.5
241.25342	2.5
244.18671	0.9
283.17624	1.6
285.27890	6.5
329.30573	3.5
333.03601	0.7
345.42221	0.8
353.21832	1.2
397.24500	0.8
434.18756	0.8
597.64777	0.8
620.14850	1.0
743.55231	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	761.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05677	0.9
55.05508	4.0
55.20149	0.8
57.03433	1.8
58.80999	0.9
64.48231	0.8
64.54439	0.8
67.05510	6.5
69.07072	2.3
79.05480	3.4
81.07066	6.5
82.07384	1.0
82.93916	0.9
83.05009	1.3
83.08656	2.0
85.02946	1.4
85.31550	1.0
91.05493	2.9
93.07053	4.2
95.04975	1.1
95.08615	4.1
96.08934	0.9
97.10159	1.2
105.07047	1.6
107.08591	2.5
108.60330	0.8
109.06532	0.8
109.10193	2.0
110.34770	0.9
119.08633	1.8
121.10175	1.6
131.08583	1.6
133.10168	1.7
135.11743	1.3
145.35196	0.8
147.60236	1.0
149.64973	1.0
151.07581	1.0
154.02049	0.8
163.11314	1.4
176.29192	0.8
184.07330	1.1
231.67708	0.9
283.15530	1.1
287.74078	0.9
301.16605	1.6
335.25854	3.1
337.27380	1.7
338.27747	1.2
545.38171	1.2
546.39313	1.9
563.39374	1.3
564.40021	2.2
761.38739	100.0
762.39130	6.5
763.40204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05521	1.1
59.79940	0.7
67.05502	2.4
69.07057	1.1
69.29187	5.4
71.05009	0.7
79.05487	2.3
81.03418	1.0
81.07074	2.6
83.08640	0.6
85.02908	0.8
91.05486	0.8
93.07037	1.9
95.04935	0.6
95.08608	2.5
96.08940	0.6
97.02926	1.0
98.38804	0.6
105.07044	1.4
107.08607	1.0
109.10210	1.4
121.10166	0.9
131.08603	0.8
133.10161	1.2
135.11711	1.3
145.10100	0.8
169.97810	0.6
209.11674	0.7
335.25821	0.9
336.26019	0.7
337.27356	1.2
338.27960	1.0
394.42276	0.6
401.76733	0.6
519.29248	0.7
535.26825	1.0
546.39252	1.1
599.36469	0.7
761.38782	100.0
762.38892	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	761.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01867	0.7
55.05519	1.0
56.03104	0.5
57.03433	1.8
59.05000	1.5
61.02932	5.3
67.05505	3.5
69.03426	3.1
69.07064	1.3
69.84284	2.2
69.84697	1.0
70.06580	1.1
71.01371	0.5
71.04975	3.0
73.02930	3.9
79.05493	3.9
81.03413	6.1
81.07065	4.1
83.05000	1.3
83.08632	1.4
85.02908	5.6
85.06574	1.2
87.04471	0.9
91.03966	1.9
91.05474	5.1
93.07040	3.5
95.04984	2.6
95.08627	1.9
97.02902	3.4
97.06548	1.6
97.10165	0.6
99.04465	0.8
101.02394	1.6
103.03953	0.6
105.07037	4.0
107.08622	2.4
109.02888	1.3
109.10147	1.0
111.04490	0.6
117.07043	0.6
119.05028	0.7
119.08613	2.4
120.46828	0.5
121.06512	0.7
121.10155	2.7
127.03951	1.7
129.07024	1.3
131.08592	2.1
133.10153	2.6
147.04448	1.4
147.11736	2.4
149.09587	3.7
157.10175	1.9
165.09222	1.0
167.07076	0.8
175.03865	0.8
175.11250	1.7
177.05455	0.8
184.22386	0.6
185.04236	0.8
193.12222	2.7
197.15411	0.9
202.28644	0.6
207.06580	1.3
225.14856	1.2
243.08379	3.3
266.12903	0.5
267.16028	2.1
283.15237	7.3
339.18002	1.9
347.91318	0.6
453.09592	0.7
501.23099	28.6
502.23633	1.1
599.34131	0.8
623.75470	0.6
761.39337	100.0
762.40057	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	761.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01871	1.7
55.05508	3.2
57.03437	3.3
57.07072	0.9
61.02927	6.8
67.05508	9.4
69.03429	5.1
69.07065	2.6
71.05003	1.2
73.01310	0.7
73.02921	5.2
77.15944	0.6
79.05503	6.0
81.03401	3.2
81.07053	9.1
83.04989	1.5
83.08620	1.7
85.02910	8.7
86.09707	1.1
89.99090	0.6
91.03965	5.0
91.05486	5.6
93.07042	6.9
95.04975	1.8
95.08605	6.4
97.02901	6.9
97.06532	1.1
99.04442	1.8
101.02394	2.4
103.03983	0.9
105.07044	3.8
107.08605	4.5
108.08871	0.7
109.02914	1.7
109.10169	2.5
115.03971	0.7
117.06992	0.8
119.08580	3.1
121.10141	3.4
125.00011	1.0
127.03957	1.3
131.08551	1.1
133.10147	3.5
135.11713	1.9
145.04974	0.8
145.10155	1.9
147.11697	0.9
159.11740	0.7
161.09660	1.2
161.13356	0.9
173.27971	0.8
175.70743	0.6
179.10774	0.8
184.07338	3.7
204.66167	0.6
214.57491	0.6
243.08528	1.9
261.22375	0.7
265.10226	1.1
267.16031	1.3
302.16727	0.8
335.25955	2.1
337.27368	1.5
479.86081	0.7
483.18201	5.9
519.29309	9.2
546.39142	1.0
547.39874	1.3
564.40369	0.9
717.40973	0.8
761.40771	100.0
762.41223	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	761.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	0.9
55.05509	2.6
57.03440	3.4
60.25265	0.5
60.54575	0.5
61.02934	7.6
65.03969	0.7
67.05515	9.8
69.03432	3.5
69.07079	1.9
71.05009	0.7
71.60120	0.8
73.02934	4.9
79.05494	6.2
80.97227	0.6
81.03437	3.5
81.07067	7.8
83.04993	0.7
83.08656	0.8
85.02913	6.5
86.09705	0.6
88.72414	0.6
91.03957	4.2
91.05492	4.7
93.07044	6.9
95.04993	1.4
95.08624	5.7
97.02897	5.7
97.06507	0.7
97.10138	0.6
99.00839	0.7
99.04443	1.3
101.02348	2.9
102.52992	0.6
105.07029	3.6
107.08604	4.4
109.02907	1.2
109.06574	0.8
109.10169	3.0
111.57869	0.6
115.03957	0.6
119.08637	2.2
120.92214	0.6
121.10167	2.2
123.11708	0.8
127.03951	2.5
131.08595	1.0
133.10136	2.9
135.11729	2.3
145.10139	0.9
147.11716	1.2
149.09711	0.6
159.11702	0.5
184.07416	2.7
185.04356	1.0
203.05333	0.9
243.08559	2.3
265.09201	1.2
267.15894	0.8
272.20355	0.6
283.10483	0.9
301.11374	0.6
335.25873	1.7
337.27252	1.5
483.18405	3.7
519.29333	7.9
546.38550	1.3
564.39795	0.9
565.68292	0.6
629.03729	0.7
679.55328	0.7
761.40820	100.0
762.41449	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	762.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
54.34027	2.2
55.01890	2.8
55.05513	18.1
57.03440	16.1
57.07071	6.6
60.08157	3.5
61.02926	4.1
65.03922	3.2
66.28544	2.3
67.05511	58.0
67.98272	2.0
69.03429	4.4
69.07067	25.2
69.24752	18.4
71.04988	3.0
71.07384	4.2
71.82782	1.9
72.31694	2.0
73.02908	3.9
74.57028	1.9
79.05495	31.2
81.03423	79.1
81.07062	62.7
83.04976	5.7
83.08617	27.6
85.02897	4.8
85.06532	2.6
86.09714	30.6
91.03936	4.4
91.05488	28.5
93.07042	31.7
95.04969	26.2
95.08614	47.7
97.02896	7.0
97.06510	6.2
97.10167	8.7
98.98449	4.9
99.08073	2.7
101.02390	2.9
105.07035	21.3
107.04966	6.3
107.08587	19.4
109.06483	3.3
109.10145	20.8
111.04390	2.4
111.08076	6.4
117.07010	4.5
119.08595	20.3
121.06484	3.4
121.10147	13.0
123.11725	7.0
125.00015	14.8
125.09644	5.2
129.07034	6.7
131.08569	9.4
133.06491	3.7
133.10149	13.5
135.11694	9.5
145.10109	2.8
147.08000	3.1
147.11700	8.4
149.09622	3.5
149.13210	5.3
157.10143	9.4
161.13257	4.8
161.22795	2.1
163.11131	3.5
163.14807	2.8
175.11206	7.5
184.07336	100.0
185.20888	2.1
193.12239	23.6
227.12708	3.4
243.08490	3.3
245.22560	3.8
263.23895	4.2
267.15930	86.4
268.16434	2.9
285.16971	3.8
309.17108	4.1
337.27356	70.1
437.34030	3.7
455.35327	6.6
473.36362	4.4
517.32477	2.1
519.29517	3.3
529.38916	65.8
530.38928	4.8
547.40070	39.0
548.40613	3.0
565.40240	2.3
571.40051	2.6
712.44775	6.1
745.41254	3.6
762.40674	12.2
763.42181	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01878	0.9
55.05503	1.4
57.03443	2.2
61.02933	6.1
67.05512	7.3
69.03435	4.4
69.07066	1.5
69.26889	3.6
70.74729	0.4
71.01352	0.9
71.04990	1.0
73.02915	5.4
79.05074	0.4
79.05499	5.1
81.03419	3.3
81.07059	6.2
83.04978	1.0
83.08617	1.3
84.01052	0.4
85.02912	6.3
89.36362	0.4
91.03959	4.0
91.05481	3.2
93.07052	5.1
93.80444	0.5
95.04987	0.9
95.08611	5.1
97.02893	6.5
97.06548	1.0
98.21452	0.8
99.04467	1.6
101.02405	1.8
103.03958	0.6
105.07042	2.3
107.04978	0.5
107.08595	3.2
107.76150	0.4
109.02877	1.2
109.10153	2.9
115.03992	0.5
117.07030	0.7
119.08590	1.8
121.06538	0.6
121.10143	3.2
123.11718	0.5
125.09632	0.4
127.03957	1.9
131.08577	1.4
132.36858	0.4
133.10117	0.9
135.11728	2.1
135.12694	0.3
139.11206	0.6
145.10147	1.3
147.11707	0.5
149.13295	0.5
153.12712	0.5
159.11671	0.6
163.11198	1.3
175.14850	0.4
185.04306	0.7
203.05328	0.6
223.09508	0.7
243.08446	2.9
267.12051	2.5
267.15964	0.8
271.13516	0.4
323.14444	0.8
335.25757	1.2
335.57962	0.4
345.71930	0.4
441.17291	2.0
471.23822	0.4
485.20050	3.6
519.29315	9.8
530.39276	0.8
664.19525	0.4
719.39331	2.8
745.41638	1.8
763.42371	100.0
764.42865	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	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01884	0.6
55.05516	3.3
57.03443	2.7
60.08160	0.7
61.02928	7.3
65.03956	0.7
67.05509	8.7
68.05835	0.7
69.03443	4.8
69.07079	3.0
69.93461	2.7
71.05006	0.8
73.02930	4.6
79.05501	5.2
80.05837	0.5
81.03413	6.4
81.07065	7.4
83.04980	0.9
83.08633	1.8
85.02911	6.7
86.09724	2.3
87.04485	0.8
91.03965	4.1
91.05502	3.0
93.07053	5.3
95.04990	1.8
95.08620	5.3
97.02892	7.3
97.06562	0.7
99.04476	1.5
101.02406	2.1
105.07071	1.7
107.04987	1.2
107.08576	3.6
109.02900	1.4
109.06564	1.1
109.10183	2.7
111.04483	0.6
111.08120	0.6
115.03972	0.8
117.07042	0.8
119.08596	1.5
121.10107	3.1
125.00010	1.5
127.03953	1.4
131.08598	1.4
133.10133	0.8
135.11714	2.3
145.10175	2.1
153.12830	0.6
157.10159	0.6
163.11261	1.8
173.09567	0.7
184.07339	8.0
184.08731	0.7
185.04370	0.5
185.07683	0.8
193.12363	1.0
203.05370	0.6
212.92755	0.5
243.08548	2.0
258.70862	0.6
267.12238	1.1
267.16022	2.9
268.16519	1.2
312.72086	0.7
335.25766	0.6
337.27496	1.1
338.27887	2.2
408.62604	0.5
441.17502	2.5
467.18796	1.4
485.19998	4.1
519.29199	6.9
529.38800	0.8
530.39404	2.5
547.39758	0.6
548.40509	1.8
719.39984	1.6
745.41046	5.1
763.42365	100.0
764.42822	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01877	1.2
55.05518	3.2
57.03431	3.2
61.02927	8.8
67.05510	8.0
69.03431	6.0
69.07070	2.0
69.25105	1.7
69.25521	4.9
71.04999	1.3
73.02924	7.1
79.05491	6.6
81.03430	2.6
81.07062	8.3
83.04978	0.8
85.02912	8.1
87.04457	0.7
91.03950	3.5
91.05484	4.6
93.07056	8.5
95.04992	1.0
95.08618	6.8
97.02894	9.1
97.06512	0.8
98.21588	1.3
99.04471	2.1
101.02391	2.8
105.07053	2.4
107.08605	3.1
107.45563	0.7
109.02899	1.8
109.10183	1.9
116.35424	0.7
118.08706	0.9
119.08597	2.3
121.10168	3.0
127.03915	2.5
131.08603	1.1
133.10150	1.4
135.11668	3.5
145.10159	1.8
159.11783	1.1
163.11217	2.9
243.08521	3.1
249.11081	8.2
267.10944	1.3
301.20044	1.2
305.13602	1.3
317.18182	0.9
323.14011	0.9
461.24399	0.7
467.19107	4.3
485.19940	4.0
519.29352	13.2
731.54034	0.8
745.41376	39.7
746.41766	2.6
763.42340	100.0
764.42987	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	763.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01860	1.0
55.05509	2.3
57.03437	2.7
57.07096	0.7
61.02935	5.0
67.05509	7.8
69.03439	3.3
69.07072	2.0
70.06618	0.5
71.01376	0.7
71.04987	0.9
71.60342	1.0
73.02934	3.6
78.58477	0.6
79.05488	6.5
81.03422	5.1
81.07059	7.2
83.04972	1.2
83.08626	1.7
85.02903	5.8
86.09728	0.7
91.03951	3.9
91.05502	4.3
92.05817	0.7
93.07044	5.5
95.04999	1.7
95.08618	6.0
97.02896	5.7
97.06532	0.8
97.10207	0.7
98.92612	0.5
99.04487	1.9
101.02394	2.6
105.07034	2.5
107.04960	1.1
107.08597	3.4
109.02894	1.4
109.06522	0.6
109.10190	2.2
117.07030	0.9
119.08543	1.1
121.10165	2.6
123.11720	1.0
125.64742	0.6
127.03948	2.1
131.08591	1.6
133.10138	1.0
135.11708	2.5
145.10117	1.4
147.11615	0.9
155.71422	0.6
163.11200	1.1
163.14740	0.7
173.09671	0.5
184.07384	2.4
185.04436	0.9
191.10669	0.9
243.08434	2.3
267.12045	0.7
267.15906	3.1
268.16409	1.9
302.48938	0.6
335.26031	1.1
337.27570	1.8
338.27792	1.9
411.20160	0.9
413.18088	1.0
467.19043	1.8
485.20245	2.8
519.29181	7.5
530.39410	2.9
548.40344	2.2
689.42432	0.8
735.77686	0.7
745.41315	5.0
763.42206	100.0
764.42590	6.4
789.76111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05509	1.6
57.03437	1.9
61.02930	6.3
64.66899	0.4
67.05513	6.0
69.03443	3.6
69.07065	1.3
69.24826	0.8
69.25233	3.4
71.05007	2.3
73.02921	4.4
79.05502	3.8
81.03428	1.8
81.07076	5.4
83.05004	0.6
83.08627	0.8
85.02917	6.2
85.40208	0.5
87.04432	0.5
91.03976	3.2
91.05489	2.7
93.07059	4.1
95.04986	0.5
95.08624	3.5
97.02895	4.9
97.06506	0.7
101.02371	2.2
105.07047	2.1
107.08598	2.2
109.02902	0.9
109.10168	1.4
110.15115	0.4
115.03928	0.6
117.07045	0.9
119.08567	0.9
121.10165	1.4
123.11761	1.2
127.03957	1.6
131.08554	0.8
131.78401	0.4
133.10133	2.0
135.11711	1.4
135.85542	0.4
145.10152	0.5
149.13301	0.7
159.11690	0.8
185.04271	0.9
243.08453	2.4
267.15811	1.9
335.25992	0.7
485.23584	6.2
485.67053	0.5
519.29364	9.3
763.46045	100.0
764.46405	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	765.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.6
69.68075	1.3
69.68482	2.0
70.06598	2.5
81.03413	1.4
82.98602	0.6
84.08126	0.6
86.09733	0.6
91.05471	1.3
93.07075	0.8
98.20723	0.7
98.97609	0.6
105.07032	0.7
109.02874	0.6
110.97552	0.6
119.04977	0.9
121.02911	2.4
121.06512	0.7
123.04451	0.9
127.03942	0.8
133.54413	0.6
136.06183	2.7
137.05986	0.7
147.04390	0.8
167.07082	1.5
177.05490	1.2
181.03503	0.5
181.05035	2.2
185.04243	3.1
207.06534	1.3
244.61009	0.6
246.69397	0.7
309.09412	0.9
329.07446	0.7
346.05435	0.6
423.24377	1.3
425.12064	1.1
440.14578	2.4
441.15253	1.7
442.47772	0.7
449.14392	0.8
585.29193	0.8
587.17340	0.9
601.19403	1.6
602.19196	0.8
603.20520	9.6
765.25800	100.0
766.26062	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	765.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.03442	1.9
61.02936	6.1
62.83671	0.4
65.08064	0.4
67.05510	4.7
69.03432	3.2
69.07078	2.0
69.23118	0.5
71.01358	0.6
71.04990	0.7
71.10905	1.0
73.02918	4.5
79.05486	4.7
80.11962	0.4
81.03413	3.2
81.07061	5.8
83.04950	0.6
83.08617	0.9
91.03967	4.3
91.05477	3.4
93.07053	5.7
95.04994	1.2
95.08608	4.1
97.02898	5.8
97.10179	0.5
99.04453	0.6
101.02376	2.6
101.35267	0.4
103.03944	0.8
105.07030	2.6
107.08610	1.6
109.02928	0.8
109.10110	0.9
119.08604	1.3
121.10162	3.2
127.03949	1.9
131.08595	1.9
133.10175	1.0
135.11708	1.3
137.58009	0.5
142.07770	0.6
147.11714	1.1
149.09673	0.8
157.10236	0.7
184.07393	1.2
185.04308	0.8
185.11819	0.6
193.12259	0.5
225.11069	0.9
243.08467	2.6
251.12540	0.9
267.16104	0.8
269.13681	1.8
287.69534	0.4
301.08990	0.6
335.25854	1.1
425.17902	0.6
443.18912	4.0
459.15286	0.4
469.20355	2.3
475.27859	0.5
487.21680	3.9
519.29211	7.6
721.41272	1.6
747.43207	1.6
765.43964	100.0
766.44434	7.7
769.01495	0.5
770.66870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.4
55.05510	33.9
55.47858	3.3
57.03452	17.3
61.02946	4.4
61.05650	3.5
67.05513	84.0
69.03437	5.2
69.07077	34.8
70.95242	10.6
71.04992	7.6
79.05496	94.4
81.03418	20.5
81.07062	85.6
83.04987	15.3
83.08635	18.7
85.02906	6.9
85.06541	6.8
86.09698	17.3
91.04949	6.9
91.05486	85.4
93.07050	93.7
95.04976	22.8
95.08614	41.2
97.02901	5.3
97.06553	19.2
97.10172	12.1
99.08083	6.6
105.04524	3.9
105.07042	68.8
107.04971	16.1
107.08599	38.3
108.79636	3.5
109.06538	12.8
109.09538	3.7
109.10185	20.7
111.08107	3.5
117.07018	23.5
119.08560	42.0
120.08122	8.4
121.06511	5.5
121.10170	18.2
123.08076	10.4
125.09641	4.8
128.06285	3.5
129.07031	19.6
131.08591	18.6
133.10124	31.1
135.08005	4.6
135.11734	12.1
137.09624	7.4
141.06967	4.1
143.08569	10.9
145.10165	24.2
147.11713	47.0
149.09628	11.6
149.13255	8.0
151.11118	3.6
157.10146	5.2
159.11697	12.8
161.09694	4.5
161.13263	15.6
163.11240	11.3
171.11696	29.8
173.13202	4.5
177.12758	4.0
179.14471	4.1
185.13145	6.0
187.11168	3.7
189.11198	6.7
189.12770	10.0
207.13863	31.1
227.12755	20.8
253.14398	6.3
257.19025	9.9
269.17514	9.1
275.20108	45.6
281.17490	84.9
291.19412	4.8
331.22900	4.4
349.23755	26.0
451.27194	4.3
461.28995	25.8
475.30637	100.0
476.30859	5.5
514.22266	4.1
555.29016	6.3
555.36884	59.2
573.34705	7.1
732.32776	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
55.02011	0.9
55.05407	8.1
55.05710	2.9
57.03328	3.7
57.03635	1.0
57.06993	1.0
58.92320	0.5
61.02815	11.4
61.03172	3.4
65.03853	0.9
67.05388	17.4
67.05790	4.0
69.03311	6.6
69.03731	1.4
69.06950	7.1
69.07355	1.4
69.23869	1.0
69.24273	4.4
71.01254	0.9
71.04895	1.0
71.08556	0.5
73.02792	5.9
73.03233	1.3
79.05362	12.4
79.05871	2.0
81.03290	2.8
81.06924	15.7
81.07456	2.4
83.04847	1.5
83.08491	4.3
85.02771	10.6
85.03345	1.5
85.03578	0.5
85.06454	0.9
91.03817	5.9
91.05341	11.9
91.05972	1.5
93.06905	12.3
93.07530	1.3
95.04823	1.8
95.08466	15.0
95.09136	1.7
97.02750	11.2
97.03417	1.1
97.06387	1.8
97.06948	0.6
97.10025	2.6
99.04356	0.8
99.07982	0.8
101.02261	1.2
105.06879	12.3
107.04845	0.6
107.08441	9.5
109.02794	0.9
109.06380	1.1
109.10007	6.3
111.07981	0.9
115.05286	1.6
116.06163	0.6
117.06864	8.5
119.08421	9.3
121.09994	5.4
123.07971	0.8
123.11549	1.7
125.09540	1.2
127.03741	2.3
128.06062	2.3
129.07007	8.6
130.07689	0.7
131.08401	11.7
133.10132	9.0
135.07852	0.9
135.11519	3.9
137.09479	0.9
137.13161	0.7
141.06822	4.1
141.07974	1.0
142.07620	1.8
143.08560	11.5
144.09102	0.6
145.04810	0.6
145.10138	10.9
147.07910	0.6
147.11710	4.1
149.13069	2.0
151.11003	0.8
153.06871	0.8
154.07597	1.7
155.08556	10.2
156.09138	1.7
157.10138	10.1
157.11348	0.6
159.11679	6.9
161.13260	2.7
163.14648	1.2
165.06789	1.4
166.07648	0.7
167.08557	5.0
168.09142	1.9
169.10133	11.0
170.10709	1.3
170.94464	0.5
171.11694	8.6
173.09532	0.5
173.13274	4.6
175.14711	1.3
179.08383	2.0
180.09152	1.4
181.10139	6.5
182.10706	1.5
183.11702	11.2
184.12190	0.7
185.13266	7.4
187.14861	3.5
189.16246	1.3
193.10144	2.7
195.11685	6.3
196.12308	0.9
197.13251	9.3
198.13843	0.9
199.14832	5.0
201.16251	1.1
203.17888	0.5
207.11525	2.3
209.13275	6.4
211.14806	5.9
213.16418	2.7
215.17886	1.1
219.11578	1.0
221.13301	3.2
223.14792	4.4
224.15163	0.5
225.16425	4.1
227.17802	1.8
233.13081	0.9
235.14828	2.4
237.16472	2.9
239.18042	2.6
241.19650	0.9
247.14729	0.7
249.16356	1.2
251.17815	2.2
253.19513	0.9
261.16260	0.7
263.17804	1.1
265.19458	1.4
267.20917	0.7
277.19241	0.7
281.22614	0.7
283.20309	0.6
285.21948	0.6
293.22632	0.6
295.20380	0.7
297.21939	1.0
309.21878	0.8
311.23495	0.6
313.25131	0.6
323.23392	1.1
325.25043	0.6
335.23395	0.7
337.25174	0.7
339.22928	0.6
343.34048	0.6
347.23553	0.7
349.25214	1.3
351.26782	1.1
363.26581	0.7
365.28314	1.1
369.27979	0.5
387.27670	0.6
405.31677	0.6
407.28906	0.7
421.30585	0.5
433.30685	0.7
439.32034	0.5
447.32953	1.0
449.34128	0.7
461.33231	0.5
473.33405	0.6
475.34439	0.6
487.34521	0.6
499.39941	0.7
501.35507	0.9
515.37604	0.6
517.40521	5.4
521.36200	0.7
527.37830	0.8
535.41840	2.8
539.37122	1.9
541.39050	0.8
545.38470	0.9
553.40076	0.6
573.42706	1.5
591.44073	6.3
607.43616	1.9
609.45148	100.0
610.45496	6.9
611.46765	1.2
621.45068	1.2
735.48566	1.4
753.49524	1.7
771.50482	19.4
772.50714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05256	1.0
55.05513	13.9
56.32928	0.8
57.03432	5.4
57.07076	2.9
61.02928	16.3
65.03928	2.5
67.05505	27.6
67.80375	0.8
69.03434	9.5
69.07069	12.0
71.01350	1.5
71.04987	2.8
73.02920	9.5
79.05492	20.1
81.03413	5.1
81.07058	25.7
83.04980	2.6
83.08614	7.3
85.02914	15.6
85.06555	1.1
85.58434	0.9
87.04474	1.4
91.03969	7.4
91.05481	16.9
93.07049	17.7
95.04962	3.6
95.08604	22.6
97.02884	12.1
97.06548	3.3
97.10165	3.7
99.04463	1.6
101.02374	1.5
101.92609	0.9
105.07030	15.9
107.04937	2.0
107.08595	13.3
109.02842	1.2
109.06519	1.7
109.10149	9.0
110.10516	0.8
111.04434	0.8
111.08096	1.6
115.05485	1.8
117.07018	9.0
119.08582	15.1
121.06470	1.7
121.10146	8.1
123.08054	1.3
123.11682	2.8
125.09641	1.4
127.03942	2.2
128.06236	3.0
129.07013	10.4
131.08572	14.4
133.10129	11.0
135.08008	1.0
135.11664	4.5
137.09598	1.5
141.07014	5.2
142.07764	2.4
143.08545	11.5
144.09474	1.0
145.05005	0.9
145.10135	13.3
147.11670	6.5
149.09616	1.9
149.13274	3.5
153.07008	1.4
154.07787	1.4
155.08560	12.6
156.09253	1.6
157.10126	15.3
159.11673	9.9
161.13254	4.1
163.14865	1.2
165.07135	1.3
167.08571	5.3
168.09344	1.6
169.10112	14.9
171.11678	11.9
172.12352	0.9
173.09549	1.0
173.13257	7.0
175.14838	1.9
177.12840	1.0
179.08609	2.2
180.09335	1.1
181.10117	8.9
183.11687	14.8
185.13246	8.2
187.14825	4.0
189.16347	1.8
193.10124	2.5
195.11699	7.9
196.12468	1.0
197.13254	9.7
199.13225	1.1
199.14880	6.0
201.16440	2.2
207.11668	3.9
208.12366	1.3
209.13278	7.2
211.14838	7.2
213.16432	3.4
215.17944	1.5
219.11670	1.3
221.13284	4.1
223.14815	4.4
225.16377	4.0
227.18126	2.0
233.13138	1.1
235.14879	2.4
237.16449	3.8
239.17946	3.0
239.75250	1.0
249.16391	2.9
251.17996	2.7
259.14844	1.0
261.16318	1.0
265.19449	1.1
297.22223	1.0
299.23456	1.2
320.80084	1.0
323.23666	1.7
335.26028	1.9
337.25211	1.6
339.23285	1.6
351.26718	1.5
365.28851	1.4
421.30725	1.1
449.34198	1.3
499.39609	1.5
515.38220	1.1
517.40466	7.4
527.37292	1.9
535.41290	3.1
539.37238	1.7
555.42322	0.9
591.44110	6.6
607.43390	2.8
608.44220	1.3
609.45129	100.0
610.45508	4.2
621.44849	1.3
699.46014	1.1
735.47858	1.5
753.49200	2.5
771.50427	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	772.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.1
55.05288	3.4
55.05510	34.6
57.03441	24.8
59.04755	3.1
59.05003	29.1
61.02904	3.1
65.03926	9.9
67.05168	5.4
67.05505	84.6
68.55473	3.4
69.03421	11.1
69.07071	18.0
70.06577	3.5
71.01327	4.4
71.04987	22.9
71.06571	3.5
71.57800	2.7
71.59604	4.0
79.05488	59.0
81.03416	100.0
81.07058	51.0
83.04975	23.8
83.08616	24.1
85.02893	11.1
85.06530	9.9
87.04475	29.6
91.05482	52.1
93.07040	40.3
95.04974	35.4
95.08619	25.0
97.02872	10.7
97.06504	10.2
97.10166	19.6
99.04436	12.7
99.08089	3.7
105.07044	32.7
107.04956	20.0
107.08585	28.7
109.02859	8.6
109.06509	10.3
109.10152	55.3
111.04465	7.0
111.08090	9.7
115.05495	3.3
117.07033	9.5
119.04913	9.7
119.08585	32.8
121.02899	5.5
121.06470	8.8
121.10148	26.3
123.04469	5.7
123.08065	6.3
123.11697	4.2
125.09629	12.6
127.03884	3.9
129.06998	19.6
131.04929	5.1
131.08571	23.6
133.06471	6.9
133.10146	20.0
135.04388	6.3
135.08051	8.6
135.11687	10.9
135.76750	3.2
137.09615	5.2
143.08554	4.6
143.10501	4.0
145.10133	13.5
147.04370	14.6
147.08064	7.5
147.11711	17.6
149.09608	24.2
153.09125	5.8
153.12749	7.9
153.13933	3.0
157.10132	20.4
159.11803	4.9
161.05949	7.6
161.99631	4.0
163.11179	19.7
165.12767	3.5
167.07051	6.1
173.09604	7.1
173.11736	9.0
175.11188	18.8
177.05486	6.1
181.12201	9.4
187.11250	4.4
189.09280	3.0
189.11234	7.9
191.10686	7.3
193.12233	58.5
199.13266	7.2
201.12932	4.1
203.14474	4.4
207.06514	5.6
209.11690	10.8
211.13306	44.4
225.14832	14.7
227.12759	25.8
229.14305	36.5
231.13806	6.6
235.13330	8.5
247.13313	11.2
249.14832	14.9
259.13229	4.8
267.15912	63.9
283.15363	12.1
314.21201	5.1
315.18121	7.3
328.13980	3.3
337.21613	8.2
342.24112	4.3
355.22708	8.8
365.21112	11.1
373.23566	4.1
383.22128	25.1
401.23111	18.3
415.24774	6.1
421.25861	25.8
433.25537	8.4
447.26938	3.8
457.25662	8.2
470.07297	3.8
475.26901	20.6
493.28110	4.6
507.29422	19.5
525.30371	7.9
534.72516	3.8
650.58936	3.6
695.91821	3.6
714.52222	4.0
772.45874	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	772.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.6
55.05516	31.1
57.03445	20.8
59.05007	26.0
61.02925	3.9
65.03944	5.0
67.05164	4.1
67.05512	78.0
69.03437	7.0
69.07078	14.1
70.06609	3.6
71.04996	24.4
74.67300	2.7
75.93896	2.7
79.05505	50.2
81.03425	100.0
81.03905	5.3
81.07067	45.6
83.04974	18.1
83.08624	27.1
85.02898	11.6
85.06557	7.4
87.04472	26.7
88.78479	2.7
91.05487	48.7
93.07059	36.8
95.04979	36.6
95.08614	22.6
97.02894	8.3
97.06527	9.5
97.10190	19.9
99.04462	8.3
103.05464	4.6
105.07040	35.1
107.04961	23.1
107.08609	21.7
109.02893	5.4
109.06513	10.9
109.10169	43.5
111.04440	10.9
111.08077	12.3
115.05408	4.5
117.07047	15.6
119.04971	6.1
119.08582	33.3
121.02847	3.2
121.06500	12.3
121.10146	23.8
123.04454	6.9
123.08088	5.2
125.09652	17.5
129.07030	18.9
129.07846	4.1
131.04951	3.0
131.08594	23.8
133.06490	9.3
133.10170	18.0
135.04433	7.9
135.08067	7.4
135.11708	9.4
136.07629	3.1
137.06015	7.3
137.09624	3.6
142.07748	3.7
143.08522	4.1
145.06520	3.4
145.10162	13.6
147.04420	23.1
147.08040	8.5
147.11714	20.7
149.06026	5.7
149.09633	20.9
149.71399	3.2
153.09097	8.6
153.12738	7.9
155.08617	3.2
155.10701	3.5
157.06416	3.5
157.10066	18.1
159.08104	4.2
161.05992	4.7
161.09616	3.6
161.13304	3.0
163.11157	14.3
167.07008	4.9
173.09576	5.3
173.11728	11.0
175.03958	3.2
175.07481	2.6
175.11198	17.5
177.05505	7.9
181.04950	4.5
181.12219	7.8
183.11729	4.8
185.13264	4.8
189.11211	11.2
191.10677	8.7
193.12253	51.5
195.11682	4.2
199.13284	6.1
203.14397	3.6
207.06360	3.1
209.11717	10.7
211.13293	39.6
223.13200	3.4
225.14891	9.3
227.12747	15.2
229.12317	4.7
229.14345	33.9
231.13882	3.3
235.13142	3.4
247.13264	7.9
249.14893	14.9
259.13193	3.8
267.15982	53.4
273.14874	4.6
283.15460	11.2
295.15222	3.0
315.17838	4.3
337.21564	4.5
355.22916	8.4
365.21021	10.2
383.22153	23.5
401.23465	14.3
421.25818	19.8
433.25635	5.1
457.26016	5.6
475.27185	21.2
493.28085	4.6
499.18616	3.1
507.29434	10.6
525.30981	5.5
563.46655	3.0
772.42358	5.5
797.43268	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	772.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	26.1
55.05515	47.8
57.03437	32.3
58.06589	28.6
61.02912	12.6
67.05176	6.8
67.05512	96.3
67.27813	5.5
69.03414	12.5
69.07077	31.0
70.06584	14.0
71.04977	10.6
71.59798	9.4
72.04514	12.3
79.05503	92.4
81.03427	40.0
81.07068	94.6
82.07423	6.5
83.04979	21.4
83.08627	29.6
84.08112	6.2
85.02905	18.0
86.06067	28.1
91.03947	10.0
91.05480	71.0
93.07049	94.0
95.04965	27.1
95.08610	52.4
97.02904	11.1
97.06529	24.2
97.10165	21.0
99.04481	10.8
99.36159	6.6
105.07037	54.7
107.04949	26.4
107.08598	61.8
109.06495	25.6
109.10201	29.4
111.04434	6.9
111.08097	6.6
112.02530	7.3
116.07072	9.6
117.07007	26.9
119.08587	38.0
121.06494	12.2
121.10147	31.8
123.08080	13.3
125.09609	12.5
129.06989	14.4
131.08577	26.6
133.10155	43.6
135.08058	10.3
135.11699	32.0
143.08710	6.3
145.10168	37.7
147.08025	10.3
147.11705	17.3
149.09628	16.9
149.13272	11.8
153.67200	7.2
159.11685	17.9
159.43730	5.9
161.13196	8.4
163.11205	48.0
171.11699	8.4
175.11153	11.1
191.10561	6.4
193.12335	12.0
195.13791	7.2
198.14841	9.7
209.11790	7.6
209.36421	6.4
211.13330	16.8
227.03278	5.9
227.12828	45.8
252.39467	5.9
267.15933	12.9
269.17514	14.6
275.20114	40.8
283.15424	100.0
285.16977	12.0
290.19720	7.3
291.19611	29.4
335.25864	8.0
349.23575	35.1
367.24750	9.8
402.95499	7.1
453.24756	11.6
463.26843	16.9
477.28461	65.2
557.34625	74.2
575.35699	51.8
610.42676	20.7
772.47827	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.4
55.05294	2.8
55.05515	31.1
57.03441	17.2
57.07061	6.7
59.59448	2.3
61.02908	10.9
65.03930	5.4
67.05508	100.0
67.50471	2.2
69.03420	9.7
69.07072	32.6
71.04997	3.5
71.59863	3.5
71.60247	3.1
73.02895	6.0
74.20020	2.3
77.39921	2.4
79.05047	4.4
79.05496	75.1
81.03409	8.5
81.07063	84.3
83.04972	5.9
83.08636	15.1
85.02906	13.8
85.06525	6.7
89.03021	3.0
91.03927	4.2
91.05484	71.8
93.07047	86.2
94.07355	2.7
95.04964	11.1
95.08041	3.8
95.08609	62.8
97.02890	9.4
97.06494	6.5
97.10155	5.9
99.08116	2.8
101.45627	2.9
103.03926	3.3
105.07037	73.4
107.04972	5.5
107.08591	43.4
109.06529	4.9
109.10151	26.1
111.08086	4.6
115.05424	4.5
117.07031	26.6
119.08583	59.0
121.06508	4.6
121.10147	40.6
123.08054	2.9
123.11691	8.3
125.09620	2.7
127.03892	4.6
128.06218	3.9
128.70334	2.6
129.06998	19.6
130.07805	3.4
131.08566	33.8
133.10127	43.9
135.08029	4.4
135.11700	26.4
137.09592	3.0
137.13231	5.1
137.82257	2.3
141.06972	4.4
143.08525	15.4
145.06508	3.0
145.10129	37.5
147.08028	3.4
147.11685	33.0
149.09668	5.3
149.13268	12.9
155.06013	2.7
155.08508	7.2
157.10139	22.2
159.11726	27.2
161.13289	31.3
163.11127	3.9
163.14804	4.4
167.08618	6.4
169.10098	8.0
171.08005	3.2
171.11703	21.1
173.13245	17.6
175.14845	15.1
181.10083	3.6
183.11699	10.4
185.13257	15.9
187.14792	9.1
195.11736	4.9
197.13220	7.5
199.14854	6.1
201.16415	5.9
203.18001	4.0
207.11633	2.8
209.13173	2.5
211.14798	6.6
213.16335	6.2
225.16167	3.2
231.21065	4.4
239.17911	4.6
241.19521	22.6
243.21077	5.0
257.18991	8.8
259.20572	42.8
261.22089	10.0
271.20670	2.6
273.22159	3.1
275.20166	5.0
301.21741	3.5
301.25040	2.7
313.21698	3.2
328.48248	2.8
333.24261	30.8
334.24347	2.9
335.21951	5.4
335.25787	73.5
336.26205	5.5
337.27371	4.3
367.22885	2.8
385.23486	3.4
501.41040	2.9
519.41669	5.6
529.39252	2.8
593.45441	9.6
609.44342	5.4
611.46674	82.7
612.46625	5.5
701.47607	5.0
719.48395	4.7
737.49060	4.3
755.50739	4.2
773.45105	7.8
773.49976	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05513	30.2
56.80896	2.2
57.03443	14.0
57.07057	4.7
61.02939	13.9
65.03937	4.7
67.05505	97.0
69.03426	11.5
69.07066	36.0
70.64112	4.8
70.64465	5.0
71.04990	6.1
73.02914	6.0
73.73188	2.7
77.03913	3.5
79.05492	92.6
79.05956	5.8
81.03403	6.4
81.07055	100.0
83.08609	13.4
85.02900	15.6
85.06529	6.1
91.03948	5.8
91.05484	77.3
91.06068	3.7
93.07049	93.8
95.04966	10.5
95.08037	5.1
95.08603	72.7
97.02880	9.5
97.06532	8.1
97.10172	6.5
102.37741	2.6
105.04529	4.8
105.07029	67.9
106.97197	2.4
107.08606	50.6
109.06524	6.0
109.10149	28.3
111.08169	3.4
115.05489	3.7
115.28806	2.4
117.07021	25.0
119.08581	59.1
121.10144	44.9
123.08028	4.0
123.11719	10.2
125.09612	3.6
128.06212	4.9
129.06995	16.7
131.08577	46.3
133.10129	42.2
135.08080	3.4
135.11699	30.6
141.06985	3.2
142.07770	4.5
143.08543	23.3
145.10115	47.2
147.11684	44.1
149.09653	3.9
149.13205	16.8
155.08527	11.1
156.09319	3.5
157.10161	22.9
159.11661	34.5
161.09547	2.8
161.13255	32.6
163.11169	3.0
163.14825	4.1
167.08549	5.2
169.10164	14.2
171.11667	22.9
173.03960	2.6
173.13275	23.7
175.14789	13.2
181.10155	3.8
183.11693	11.8
185.13235	19.2
187.11214	4.2
187.14816	11.4
189.12735	3.0
189.16341	4.0
193.10118	3.2
195.11693	6.0
197.13295	7.2
199.14848	12.1
201.16367	3.9
209.13303	3.6
211.14888	4.6
213.16354	6.0
215.17934	3.9
223.14719	4.2
229.19438	3.4
231.21109	7.4
239.17979	4.5
241.19536	27.4
243.21248	3.8
257.18997	8.7
259.20587	54.3
260.20651	3.0
261.22177	10.5
271.20444	3.9
275.20084	4.1
285.22110	2.6
301.21686	5.2
315.23172	2.9
333.24255	31.3
335.25800	80.6
336.26160	2.7
337.27567	3.7
367.22681	7.3
385.23749	4.0
519.42059	5.1
537.43402	4.9
541.39178	3.5
593.45227	10.1
609.44415	5.0
610.74207	2.8
611.46667	94.6
612.46466	6.4
635.46527	4.2
701.47687	5.8
719.48480	5.1
721.43835	2.9
755.50592	3.8
773.51465	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
55.05291	1.9
55.05511	21.2
57.03225	1.7
57.03442	20.4
57.07063	1.8
65.03930	4.7
67.05510	74.4
69.03417	2.7
69.07070	18.5
71.04984	4.6
71.09310	3.5
78.31644	1.4
79.05497	47.6
81.03423	100.0
81.07060	59.1
83.04964	5.2
83.08618	23.1
85.06554	3.8
91.04958	2.4
91.05489	36.4
93.07049	48.6
95.04970	31.4
95.08041	3.1
95.08614	45.9
97.02882	2.6
97.06521	6.8
97.10165	8.8
99.08095	3.2
105.06380	2.1
105.07037	29.5
107.04958	8.4
107.08601	28.4
109.06492	7.0
109.10154	21.4
111.04443	2.6
111.08075	7.2
113.24118	1.5
117.07023	10.3
118.63385	1.5
119.04928	1.8
119.07796	1.7
119.08595	24.4
121.06512	4.1
121.10149	27.3
123.04388	1.8
123.08061	3.5
123.11730	8.2
125.09627	5.1
129.07007	12.4
131.08557	19.4
133.06497	4.3
133.10110	18.6
135.08052	3.1
135.11707	13.3
137.09613	2.6
137.13202	2.6
143.08527	2.4
145.10144	9.9
147.08000	3.2
147.11711	15.5
149.09604	5.1
149.13226	9.3
157.10132	9.2
159.11700	10.2
161.13261	8.3
163.11143	4.5
163.14818	3.8
165.12761	1.7
171.11623	1.9
173.13242	6.3
175.11195	8.5
175.14787	2.5
183.11736	1.8
185.13237	2.8
187.14804	1.8
189.11154	2.6
192.19432	1.8
193.12254	22.6
197.13197	1.6
211.13223	3.0
227.12868	7.8
243.15819	1.8
243.21082	6.1
249.14885	1.8
259.13156	1.7
261.22180	24.6
267.15918	98.0
273.14844	2.7
279.23035	2.4
289.21661	2.2
293.46994	1.7
301.25253	4.2
309.16833	1.9
317.24799	5.5
335.25815	96.1
337.27087	1.7
417.31354	2.5
421.25916	2.0
435.27069	2.3
435.32578	3.8
453.33463	9.7
471.34726	3.9
527.37402	64.3
528.37695	3.0
545.38428	46.3
569.38037	5.4
608.64679	1.7
653.39716	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	774.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
57.07078	30.8
59.05000	1.1
67.05505	3.0
69.07075	5.4
71.08632	27.4
73.02923	1.6
73.06557	9.8
74.07845	0.7
79.05493	2.3
81.07053	2.1
83.08619	5.5
85.09801	0.5
85.10182	18.8
87.04468	12.2
89.06033	100.0
91.05474	1.4
93.07052	1.9
95.08609	1.9
97.10172	7.0
99.11739	2.2
105.07043	2.8
107.07097	2.3
107.08609	1.0
109.10174	1.6
110.74514	0.7
111.11733	4.3
113.13290	1.7
115.07558	1.0
117.09129	9.4
118.08636	1.3
119.08583	1.2
121.10152	1.2
125.13281	1.9
127.14833	1.8
130.08672	1.5
131.07074	3.6
131.08540	0.8
133.08606	49.0
135.10164	0.7
135.11731	1.8
141.16389	1.6
147.11682	0.8
151.96553	0.7
161.11771	2.2
175.09712	1.6
177.11223	17.2
177.12653	1.2
179.13040	0.6
199.58498	0.7
211.24275	1.7
219.12207	0.9
221.13818	3.8
224.90057	0.8
239.14856	0.7
241.19563	0.9
255.26924	0.9
265.84430	1.1
283.17511	0.9
299.29474	5.0
327.20169	1.1
343.32214	3.0
547.33356	0.9
565.59070	0.9
633.74426	0.8
638.44690	0.7
653.08331	0.7
757.56598	2.0
774.59857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75234	0.2
64.16699	0.2
65.03930	0.2
67.05482	0.3
69.03394	0.7
70.06603	0.7
71.61040	0.2
73.02906	0.3
74.06067	0.4
81.03380	0.6
81.07016	0.4
83.04957	0.2
84.08106	0.2
85.02883	0.8
91.05475	0.8
93.07012	0.4
95.04945	0.5
95.08556	0.3
97.02866	0.4
103.89263	0.1
105.07005	0.3
107.04908	0.4
107.08556	0.4
108.02068	0.1
109.02828	0.4
111.04456	0.2
115.05434	0.2
117.07000	0.2
119.04940	0.8
121.02836	0.4
121.06501	0.2
123.04379	0.2
127.03911	0.7
131.04910	0.4
131.08569	0.2
133.06445	0.2
133.10104	0.4
137.02341	0.4
137.05939	0.8
140.04622	0.2
145.02884	0.2
147.04437	1.0
149.05956	0.2
150.03154	0.2
151.03880	0.6
151.07472	0.2
153.01823	1.6
154.02512	0.2
161.05972	0.3
163.07628	0.2
167.07054	0.9
171.02797	0.3
173.05962	0.2
173.08284	0.2
175.03889	0.6
175.07582	0.3
177.05458	0.7
178.02567	0.5
179.06987	0.6
180.07829	0.2
181.04944	2.3
187.07536	0.2
191.07025	0.4
205.04926	0.2
207.06535	1.2
208.06897	0.3
209.08032	0.2
213.05557	0.2
229.04938	0.3
241.04939	0.7
242.05765	2.2
243.06427	0.2
255.06477	0.3
258.05249	2.1
269.04504	0.3
270.05237	11.0
271.05917	0.4
273.03998	1.3
273.06894	0.2
273.07938	0.2
285.03827	0.2
286.04694	1.6
287.05481	4.4
298.04715	0.5
299.05518	1.2
300.06345	0.3
301.03473	2.8
301.06952	0.5
302.04199	3.6
311.05643	0.3
312.06265	0.4
313.03452	1.2
313.07098	0.7
314.07742	0.5
315.04987	44.8
316.05688	5.8
317.05957	0.2
325.06885	0.2
327.08539	0.3
329.06534	2.9
330.07330	0.4
331.08118	100.0
332.08475	2.7
343.08124	1.2
367.08224	0.6
373.09290	0.3
387.12817	0.2
395.14484	0.2
397.09323	1.2
415.10269	0.5
433.11407	1.8
466.18234	0.2
479.13382	1.0
509.14374	0.5
527.15515	31.1
528.15759	1.5
538.26685	0.2
577.11914	4.2
578.12689	0.7
579.13440	0.7
605.95801	0.2
689.20667	0.8
727.18890	0.3
742.46600	0.2
747.32776	0.2
757.21014	0.2
775.19086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.3
69.03394	0.5
69.10758	0.2
70.06563	0.9
71.60052	0.4
74.06062	0.2
79.05482	0.3
81.03381	0.7
81.07043	0.5
83.04948	0.4
84.04529	0.2
84.08111	0.3
85.02865	0.8
91.05476	1.0
93.07018	0.3
95.08564	0.4
97.02854	0.4
103.05418	0.2
105.06982	0.4
107.04945	0.4
107.08579	0.2
109.02883	0.3
115.89251	0.2
119.04909	0.8
121.02840	0.4
121.10105	0.3
127.03868	0.6
131.04883	0.3
133.10117	0.3
137.02339	0.2
137.05917	0.9
145.06528	0.3
147.04439	1.2
151.03839	0.5
151.07549	0.3
153.01833	1.6
154.02502	0.2
159.06563	0.2
163.03868	0.3
167.06975	0.9
171.02939	0.2
171.06631	0.2
175.03940	0.5
177.05392	0.4
178.02597	0.6
179.07002	0.6
181.04987	1.8
191.07014	0.4
207.06525	0.9
221.98865	0.2
241.04912	0.5
242.05722	1.9
253.05029	0.3
255.06569	0.2
258.05283	2.3
269.04437	0.5
270.05234	11.1
271.05789	0.5
273.03894	1.4
285.03918	0.3
286.04715	1.8
287.05484	4.4
298.04813	0.3
299.05466	1.4
301.03506	3.1
301.06793	0.4
302.04230	3.2
304.19635	0.2
311.05493	0.3
313.03482	0.9
313.06976	0.5
314.07642	0.3
315.04996	44.8
316.05701	5.7
329.06528	2.8
330.07547	0.5
331.08127	100.0
332.08365	2.2
343.07990	1.0
367.07721	0.2
373.08945	0.3
397.09106	0.8
415.10275	0.4
433.11389	1.4
462.93060	0.2
479.13416	0.8
509.14499	0.7
527.15521	32.3
528.16101	1.5
577.11914	4.7
578.12476	0.6
579.13556	0.6
585.28851	0.2
689.20990	1.3
727.19116	0.6
731.21582	0.2
775.20819	1.2
775.37762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
55.05509	1.8
56.96289	1.7
56.96565	21.3
57.03448	1.6
61.02909	1.6
64.25130	1.5
67.05489	5.0
67.68382	1.3
69.07063	1.7
71.59815	2.2
74.97587	1.8
78.26183	1.5
79.05506	3.7
79.60751	1.4
81.03394	2.0
81.07062	5.6
83.39861	1.4
84.96017	3.6
85.02925	1.4
91.05473	5.6
93.07013	5.0
95.04931	1.6
95.08605	4.5
98.97585	62.3
105.07052	4.3
107.08621	1.6
109.10148	1.8
110.97559	19.3
112.99123	20.7
116.98627	28.9
121.10103	2.6
124.99113	4.0
128.98599	20.1
131.00160	32.1
134.99657	5.2
135.11690	2.0
140.00230	1.9
140.98611	4.8
142.06241	1.4
143.00182	14.1
144.98096	1.4
146.99661	7.4
149.01227	31.9
152.00180	2.2
152.98567	1.9
155.00116	2.8
158.99652	37.7
161.01228	6.0
163.11302	1.6
167.02299	4.8
170.99666	34.9
172.02745	1.8
173.01224	8.7
175.02756	1.7
177.00713	27.5
182.99602	2.6
185.01222	9.9
189.00711	26.7
191.02359	7.3
194.99779	2.8
195.01727	2.5
199.02779	6.6
200.02350	3.6
201.00720	11.4
203.02306	7.9
209.01241	2.2
212.02368	3.8
213.00740	4.2
215.02328	1.7
217.03865	5.1
219.01765	19.6
227.02188	3.4
231.01779	3.8
233.03271	3.9
237.02722	7.7
245.03468	1.7
261.02856	20.4
275.04333	11.8
279.03894	19.3
279.54471	1.6
283.15454	2.5
291.03839	6.6
293.05435	38.3
297.04831	7.2
302.05374	3.7
305.05322	1.7
309.05118	6.8
310.53467	1.6
311.06421	11.8
316.06967	2.3
317.17899	22.3
321.04932	100.0
327.11417	1.6
335.06296	1.6
335.18906	4.1
337.65982	1.4
339.05823	4.0
362.07526	3.9
363.05853	2.0
381.06992	7.2
437.09738	23.1
455.10782	44.2
478.28372	2.0
526.98523	2.3
539.25104	6.3
553.26807	7.5
599.28040	1.6
605.11737	1.5
715.32196	40.2
716.32196	3.4
743.42804	1.7
775.39532	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	775.424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.03421	1.7
61.02938	4.0
63.58348	0.7
65.03932	1.1
67.05506	7.9
69.03429	3.5
69.07076	2.9
70.63638	0.7
73.02914	3.6
77.98170	0.7
79.05498	8.7
81.03448	3.3
81.07060	7.9
83.04990	1.8
83.08628	1.3
85.02903	4.8
91.03964	1.8
91.05479	7.7
93.07043	6.6
95.05009	1.9
95.08600	4.2
97.02909	3.6
97.06586	0.9
98.20697	1.5
99.04472	0.9
101.02396	1.5
105.07048	5.4
107.04993	0.9
107.08630	3.1
109.02914	1.2
109.06499	0.8
109.10180	1.2
117.07043	1.2
119.08603	2.6
121.06480	0.8
121.10163	1.6
127.03929	1.3
129.07042	1.4
133.10162	1.9
135.11775	1.3
143.08583	1.0
145.10162	1.4
147.11745	2.8
149.09726	0.7
161.13300	0.8
171.11763	1.6
189.12878	1.0
243.08452	3.6
303.15857	0.8
333.20386	1.4
344.59869	0.9
465.21011	11.4
551.28436	3.5
560.37372	0.9
566.56665	0.8
775.42426	100.0
776.42712	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05514	42.2
57.03439	15.3
57.03704	0.5
57.07079	2.4
59.05010	2.9
61.02924	3.6
62.64644	0.8
65.03938	3.0
65.79643	0.9
67.05506	100.0
68.05806	1.2
69.03432	3.5
69.06709	1.4
69.07068	17.7
69.29787	1.5
69.30189	6.2
71.01355	1.7
71.04998	4.2
73.02924	1.8
77.03951	0.8
79.05495	49.8
81.03431	5.8
81.07059	63.3
83.01359	0.9
83.04995	6.1
83.08625	15.4
85.02905	15.8
85.06549	2.8
85.70954	0.8
87.04472	5.8
88.43754	0.9
91.03969	1.1
91.05484	28.6
93.07048	47.7
95.04972	6.6
95.08609	38.9
95.09219	1.9
97.02905	3.4
97.06536	3.3
97.10172	20.3
97.10760	1.4
98.20663	1.6
99.08098	1.1
103.03957	1.7
105.04556	1.4
105.07043	15.1
107.04971	2.8
107.08597	27.4
107.61647	0.8
109.06512	2.3
109.10161	45.0
111.04449	1.0
111.08122	3.8
115.36261	0.9
117.07037	6.0
119.08596	16.7
121.06557	1.4
121.10139	19.0
123.08064	2.0
123.11714	4.6
125.09633	20.1
129.07024	2.3
131.04985	0.8
131.08577	12.3
133.10150	9.7
135.08083	1.9
135.11697	12.7
137.09628	2.7
139.11258	1.9
143.08583	2.1
143.10692	2.8
145.10104	9.5
147.08025	1.1
147.11708	7.2
149.09641	2.3
149.13252	6.9
151.11279	0.9
155.08595	1.1
155.10695	3.6
157.10156	1.4
159.11682	5.9
161.13283	4.5
163.11156	4.6
163.14870	2.7
167.10692	0.9
169.10132	1.1
171.11682	1.7
173.11755	10.3
173.13283	4.0
175.11127	1.2
175.14786	1.1
181.12297	2.0
185.13307	1.9
187.14847	2.4
189.11232	1.0
193.12224	1.7
199.13287	9.5
199.14893	1.4
209.11758	3.2
211.13159	1.1
217.14461	1.6
227.12805	6.7
229.14357	32.7
243.21069	3.1
259.20578	1.2
261.22177	12.1
267.15973	3.6
277.21631	1.4
283.15543	1.3
299.15143	1.0
301.16446	16.3
315.23370	1.7
317.24796	1.7
319.17511	1.2
327.23248	1.2
335.25806	67.4
336.26196	2.7
363.25497	1.9
389.26657	1.0
459.34973	2.1
477.35855	10.2
489.35699	13.2
543.36346	2.0
545.77094	1.0
561.37836	9.8
579.38818	3.4
776.40540	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
55.05513	45.2
57.03442	17.9
57.07080	2.7
59.05017	4.9
61.02922	2.8
65.03938	3.7
66.16831	0.9
67.05506	100.0
68.05837	1.5
68.36104	0.9
69.03432	3.9
69.07068	16.5
69.56705	6.5
71.04993	3.9
73.02912	2.8
79.05494	50.9
81.03432	6.0
81.07058	62.7
83.04985	5.3
83.08626	14.7
84.79331	0.9
85.02905	15.4
85.06541	3.1
87.04486	6.0
91.03966	1.0
91.05481	29.6
93.06457	2.1
93.07048	41.3
95.04986	6.1
95.08611	40.5
95.09229	1.5
96.10939	0.9
97.02909	4.7
97.06535	3.7
97.10172	19.8
98.20769	1.1
99.08087	1.5
103.03889	1.5
105.04549	1.1
105.07034	16.5
107.04948	2.6
107.08598	27.9
107.09284	1.9
109.06535	2.1
109.10161	45.9
111.08084	3.0
117.07010	6.3
119.08586	14.9
121.10139	16.7
123.08100	1.8
123.11732	3.7
125.09638	16.5
129.06990	2.8
131.08565	11.8
133.10147	9.1
135.08084	1.2
135.11699	10.5
137.09633	4.0
137.13283	2.3
139.11240	1.2
143.08621	1.6
143.10689	3.0
145.10129	7.3
147.11644	5.9
149.09604	1.4
149.13225	4.9
151.11177	1.1
153.12677	1.1
155.08507	1.6
155.10661	4.1
157.10112	1.3
159.11650	5.8
161.13287	4.9
163.11186	5.3
163.14835	4.2
169.10097	1.0
171.11649	2.1
173.09633	1.2
173.11742	8.1
173.13310	4.1
175.11272	1.2
175.14827	2.0
181.12186	1.8
185.13242	1.1
187.14838	2.3
189.11275	1.5
191.10614	1.1
192.69957	1.1
193.12283	2.7
197.13295	1.2
199.13318	9.1
207.13879	1.0
209.11732	2.8
211.13248	1.5
217.14348	1.5
227.12685	5.0
229.14354	40.6
230.14713	1.1
233.22760	1.2
243.21062	2.7
245.13734	2.3
257.13925	1.6
259.20706	2.2
261.22186	12.1
267.15985	2.8
301.16443	12.2
317.24832	2.7
333.24252	1.0
335.25806	67.5
336.26202	1.2
363.25290	1.4
459.34641	1.3
477.35736	8.4
489.35675	14.5
513.86060	1.0
543.36743	1.7
561.38062	5.7
579.39093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06103	2.6
67.05502	3.2
71.29400	1.6
71.29745	3.5
81.07057	3.9
90.13931	1.5
99.02805	1.7
114.21310	1.6
117.85965	1.5
132.71075	1.8
165.99036	1.8
184.07413	2.0
185.04305	1.7
234.43196	1.7
246.18520	3.7
289.74243	1.6
335.71271	1.5
649.43927	2.7
728.21417	1.7
779.43372	100.0
780.43915	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	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05511	1.6
57.03429	2.1
59.05003	0.7
61.02930	5.0
61.30763	0.4
67.05506	4.2
69.03434	3.4
69.07072	1.3
69.37169	0.4
70.84094	0.9
70.84431	0.7
71.05003	1.1
71.88115	0.4
73.02921	4.3
75.04496	0.5
79.05495	3.8
81.03413	2.9
81.07058	5.3
83.04999	0.8
83.08637	1.2
85.02911	5.6
87.04474	0.6
91.03964	4.0
91.04971	0.4
91.05476	2.8
91.54571	0.4
93.07053	4.6
95.04962	0.9
95.08622	3.2
97.02895	4.9
97.06530	0.6
97.10134	0.5
99.04444	0.9
101.02388	1.6
103.03978	0.6
105.07019	1.9
107.04997	0.5
107.08584	2.4
109.02869	0.9
109.06554	0.6
109.10173	1.9
115.03893	0.6
117.07117	0.4
119.08605	1.3
121.10158	1.9
123.11726	0.6
125.58187	0.4
127.03928	1.5
131.08629	1.3
133.10172	0.9
135.11737	0.9
145.04970	0.4
145.10202	0.7
147.11729	0.7
149.09642	1.3
157.10162	0.6
159.11617	0.5
175.11269	0.6
185.04321	0.5
193.12247	0.8
243.08412	1.9
276.70673	0.4
283.15192	4.9
335.26086	0.6
339.17920	0.5
378.58347	0.4
414.63150	0.4
432.15686	0.4
469.20294	0.5
501.22989	7.1
519.29358	7.2
596.38873	0.4
779.45502	100.0
780.45685	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05511	1.0
57.03427	1.3
61.02930	4.5
61.93434	0.4
65.03924	0.5
65.49486	0.3
67.05506	8.2
67.08275	0.3
69.03439	3.3
69.07061	0.4
70.06602	0.4
71.01359	0.4
71.04998	1.0
71.35872	0.5
71.36198	0.5
73.02924	3.0
78.70623	0.3
79.05502	1.9
81.03421	1.1
81.07070	3.2
83.04975	0.5
83.08643	0.8
85.02908	4.3
87.04480	0.6
91.03970	3.6
91.05481	1.5
93.07040	2.3
95.04997	0.5
95.08616	2.8
97.02905	4.5
99.04464	1.1
101.02389	1.5
103.03947	0.4
105.07059	1.0
107.08604	1.2
109.02898	1.1
109.10156	6.7
111.08103	0.4
119.08617	1.1
121.10175	0.9
123.11750	0.4
127.03918	2.2
131.08553	0.4
135.08092	0.4
135.11693	0.7
145.10121	0.4
149.13287	0.5
155.10696	0.6
163.57672	0.3
173.11813	1.9
184.07423	1.2
185.04286	0.8
195.09927	0.8
229.14420	1.2
243.08351	2.2
251.07214	0.4
328.60294	0.4
335.25781	0.6
391.15448	0.4
413.17859	11.5
519.29199	5.9
691.40302	100.0
692.40643	4.9
749.36139	0.4
763.42389	0.6
765.41663	0.4
779.99182	0.4
781.42822	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
57.03439	1.7
57.07070	0.3
57.63763	0.3
61.02644	0.3
61.02933	5.3
67.05163	0.4
67.05507	6.1
69.03441	2.9
69.07064	1.2
69.26152	0.3
69.52857	0.6
69.53256	1.4
71.01368	0.5
71.05003	0.7
73.02924	3.4
79.05488	3.1
81.03446	1.7
81.07056	4.1
83.04982	0.5
83.08626	0.5
85.02909	5.9
91.03960	3.9
91.05491	1.9
93.07052	2.9
95.08611	3.2
97.02901	4.7
99.04453	1.2
101.02397	1.5
103.03920	0.4
105.07066	1.0
107.08604	1.6
109.02885	0.8
109.06491	0.3
109.10158	5.1
111.08077	0.5
115.03954	0.8
119.08575	1.3
121.06384	0.3
121.10156	1.5
123.11684	0.5
127.03941	1.9
127.07542	0.3
128.79866	0.3
131.08560	0.5
133.10139	0.6
135.11707	0.8
137.09634	0.3
145.10152	0.6
149.13281	0.4
155.12872	0.3
159.11668	0.7
173.11763	0.9
173.13210	0.3
185.04199	0.6
195.10027	1.1
203.05350	0.5
204.14598	0.3
229.14508	0.6
243.08394	1.9
251.12526	0.4
253.97569	0.3
335.25931	1.2
409.12036	0.3
413.17920	4.9
446.86700	0.3
519.29272	9.0
520.29919	0.4
529.35736	0.4
552.28894	0.3
691.40295	100.0
692.40796	5.3
735.42896	0.8
763.42810	0.8
781.42932	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	781.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05511	1.4
56.56400	0.4
57.03453	2.1
59.05007	0.6
61.02931	4.8
61.96134	0.3
67.05515	10.3
69.03436	3.3
69.07061	0.8
70.06601	0.7
71.04995	0.7
71.21438	0.6
73.02930	3.3
79.05495	2.6
81.03425	1.7
81.07074	3.8
83.08613	0.7
85.02917	5.0
86.09714	0.7
91.03974	3.5
91.05500	1.9
93.07069	3.4
95.08620	2.4
97.02907	4.1
97.06565	0.5
99.04482	0.6
101.02373	1.9
103.03993	0.6
105.07038	0.9
107.08596	1.5
109.02882	1.1
109.10165	7.5
111.08125	0.4
115.03919	0.6
117.07050	0.4
119.08596	1.6
121.10184	1.3
127.03960	1.3
131.08621	0.5
133.10146	0.5
135.11684	0.7
145.10085	0.5
155.10736	0.6
159.18581	0.3
173.11742	2.1
184.07387	1.5
185.04372	0.5
229.14500	1.4
243.08452	2.3
335.26099	0.5
413.17841	10.5
498.81290	0.4
519.29358	5.4
600.39984	0.4
646.32697	0.5
691.40320	100.0
692.40857	4.0
735.42712	0.5
763.42596	0.9
781.42126	10.3
782.44458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05591	1.1
57.03515	1.4
59.05064	0.4
61.02680	0.8
61.03012	4.3
65.84212	0.3
67.05209	0.9
67.05598	6.4
69.03533	2.8
69.06812	0.3
69.07143	0.7
69.27631	3.4
70.06652	0.7
71.05069	0.4
73.03020	3.9
79.05601	2.1
81.03115	0.3
81.03532	1.2
81.07167	4.5
83.05088	0.3
83.08699	0.6
85.02476	0.4
85.03021	5.0
87.04588	0.3
91.03466	0.7
91.04079	3.2
91.05613	1.7
93.06536	0.6
93.07175	2.4
95.05068	0.4
95.08738	2.7
97.03026	3.9
99.04604	0.9
100.19478	0.3
101.02514	1.6
103.04049	0.4
105.07161	1.1
107.08730	1.8
109.02972	0.7
109.06596	0.4
109.10310	5.6
111.08235	0.4
117.07114	0.5
119.08720	0.9
119.94205	0.3
121.10297	1.2
127.04088	1.9
131.08693	0.7
133.10239	0.4
135.11861	1.0
141.99472	0.3
145.10258	0.7
147.11803	0.5
150.22185	0.3
173.11974	1.3
184.07527	0.4
185.04332	0.7
195.10172	1.1
219.40509	0.4
229.14561	0.8
243.08417	2.4
335.26157	1.4
413.17862	6.0
413.22922	0.5
519.29303	7.9
520.29871	0.6
546.08917	0.3
691.40271	100.0
692.40656	6.4
763.42236	0.9
781.41852	15.8
782.42041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
56.05036	1.0
68.05017	0.3
69.07070	1.1
69.41468	2.7
71.08626	1.2
81.07027	0.5
86.09708	100.0
87.10028	0.7
91.05489	0.6
93.07037	0.7
95.08594	0.4
98.09716	1.3
103.05491	1.0
105.07024	1.6
110.09698	0.4
112.11248	6.5
120.08109	41.7
121.08417	0.6
132.08109	0.6
140.71901	0.3
143.08426	0.3
146.09644	2.3
154.15912	19.6
157.13367	10.8
185.12854	14.0
188.14359	6.2
191.11775	0.5
193.09360	0.3
199.18065	15.6
209.16533	0.9
219.11270	0.5
225.19609	6.6
227.17549	13.4
233.16492	16.0
235.18044	0.4
243.15070	0.3
253.19109	6.6
259.18021	1.8
261.15991	14.1
267.24326	7.9
277.22760	0.5
287.17529	2.8
295.23773	4.1
298.21277	7.7
301.22760	7.2
302.15594	0.3
311.21152	0.4
322.24823	0.4
329.22247	4.8
332.19669	6.2
340.25919	2.7
356.23206	0.9
366.27536	2.6
374.24377	4.1
383.30124	1.3
400.25998	3.1
402.24176	0.3
408.31915	1.0
411.29657	4.5
417.28677	1.6
425.34314	0.4
442.30594	1.2
445.28058	4.1
453.34271	0.8
459.33475	1.0
473.27374	0.4
479.35980	1.9
487.32733	2.3
496.38489	1.3
497.31375	0.4
513.34363	4.8
524.38208	3.5
525.37738	0.5
527.38892	0.4
530.37036	2.3
540.34521	0.4
555.39264	2.0
558.36499	9.6
559.36707	0.4
572.40967	0.4
586.36316	0.4
592.43970	1.0
600.40991	1.3
609.46503	0.7
626.33905	0.4
626.42938	5.8
637.46362	1.9
643.45337	5.7
644.44861	0.4
653.43665	0.9
668.47009	1.0
671.44946	12.2
672.44788	0.9
703.07574	0.4
711.51996	0.5
713.48303	0.4
739.51093	3.1
756.53680	4.7
757.53998	0.5
766.51569	1.4
775.59326	0.3
784.53448	5.3
785.52905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.37870	0.7
59.68222	0.6
65.03947	1.2
65.69981	0.6
67.05507	2.4
69.03432	2.2
69.07081	1.0
69.75687	2.6
69.76103	1.7
70.06587	0.9
79.05499	2.8
80.05026	1.6
81.03436	3.7
81.07053	1.1
85.02916	2.3
91.05489	3.0
93.03397	0.7
93.05793	1.1
93.07056	1.8
94.06590	6.3
95.04971	1.0
95.07357	1.9
95.08621	1.1
96.08146	3.5
97.02911	1.5
97.06531	0.8
98.20762	0.9
103.05460	1.6
105.07056	1.6
106.06599	1.3
107.04964	1.3
107.07355	1.5
108.04496	2.1
108.08129	10.7
109.02889	1.2
109.10174	0.8
110.09694	3.0
116.05016	1.5
118.06566	1.1
119.04975	1.9
119.08562	1.2
120.04457	3.9
120.08109	7.6
121.06528	0.7
121.10201	0.9
122.06028	5.7
122.09676	4.2
124.07623	1.9
127.03922	1.2
131.08575	0.8
134.06021	1.7
135.08115	0.7
136.07582	9.1
137.06000	1.5
138.09157	5.8
144.04515	1.7
145.10138	1.3
146.06018	9.5
147.04465	2.9
148.07593	5.2
150.09181	1.9
158.05986	0.7
160.03981	1.9
160.07626	1.0
162.05579	2.1
164.07101	1.8
166.08606	4.5
167.07222	1.1
172.03931	7.0
172.07643	1.1
174.05527	2.7
176.07127	1.4
177.05566	1.4
181.04955	0.9
182.09839	0.7
183.09212	1.0
184.09972	0.6
185.10876	0.8
186.05624	1.0
190.05023	7.1
197.10805	2.4
199.12360	3.1
204.06616	1.4
207.06619	1.8
207.09212	0.8
209.10814	1.2
210.09404	1.2
211.08804	2.0
211.12442	1.4
212.09496	1.8
223.08690	1.2
223.12265	0.7
224.09474	1.3
224.80084	0.6
225.10228	6.3
226.10867	1.4
227.11806	12.4
227.78807	0.7
229.13315	0.9
233.10733	1.0
236.09467	1.3
237.10207	3.9
238.11037	1.6
239.11876	2.4
241.13417	1.1
245.12872	0.9
249.10339	2.4
250.11124	0.8
251.08400	0.8
251.11852	4.1
252.09225	0.8
253.09789	5.2
253.13469	1.9
255.11293	3.6
263.08160	2.3
263.11646	0.7
264.09003	2.0
264.12784	0.7
265.09836	2.5
265.13052	0.7
266.10400	0.9
267.11337	3.1
269.12881	4.3
271.10745	3.6
273.12402	2.3
277.09790	2.1
279.11273	7.0
281.09531	0.7
281.12869	1.6
283.10925	1.9
284.11740	1.1
285.12515	1.6
293.12857	0.9
295.10983	2.0
297.12390	3.6
299.14142	1.5
302.12939	1.4
307.10825	2.7
309.12408	1.3
312.15176	1.0
313.12271	1.1
314.12897	2.0
315.13849	1.6
316.14377	1.7
317.15692	0.9
321.12283	0.8
323.10400	1.3
325.12100	3.0
326.13065	0.8
326.16547	1.3
327.13809	1.3
328.10959	1.9
328.14655	1.6
329.11700	2.5
329.15378	1.2
330.12466	1.3
330.16135	2.0
331.08240	1.6
331.16968	0.7
332.93002	0.8
339.13635	1.6
340.14548	1.1
341.11969	1.0
342.12549	5.5
342.15933	1.2
343.13324	3.3
344.14038	2.1
344.17838	0.9
352.14563	1.3
353.15308	1.3
354.12201	0.8
354.16049	1.9
355.13104	1.6
356.13763	3.7
357.14532	1.3
358.15552	4.6
360.17157	0.7
367.12985	0.8
369.14725	2.1
370.11746	1.1
370.15445	4.3
371.16302	1.2
372.17172	1.8
380.14047	1.0
382.11847	1.6
383.12625	1.4
384.13522	2.0
385.14301	1.3
386.14944	3.4
387.16061	1.1
388.16962	1.1
394.15503	1.7
397.14133	1.3
398.15097	10.2
399.15787	6.9
399.47055	0.7
400.16666	2.2
404.16199	2.0
412.16681	1.8
414.18304	1.6
416.15814	3.2
417.16785	0.9
418.17868	1.8
422.14966	0.9
428.16031	1.1
431.18347	1.0
439.15189	1.0
440.16309	2.2
441.16827	1.1
446.17310	1.0
458.17303	2.7
472.18481	0.7
488.18347	1.0
500.17908	1.7
502.19574	0.9
514.20044	0.9
530.18964	0.9
532.20935	1.4
534.22211	1.2
542.19403	1.6
548.20300	1.1
554.18799	1.5
560.20288	5.3
565.25073	1.2
566.20361	1.0
572.20264	1.4
584.20447	1.8
590.21564	2.9
593.23730	1.2
602.21283	6.1
653.26031	0.9
673.26556	1.5
691.27863	1.0
701.26611	1.1
709.28662	1.9
711.30133	5.1
713.28418	7.1
719.27069	1.9
727.29663	4.2
737.28125	6.5
755.29242	100.0
756.29834	7.7
774.70660	0.8
775.79260	0.9
787.32214	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	787.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	22.6
55.05517	39.9
57.03446	12.5
61.02950	19.4
62.38500	3.2
63.25433	2.8
65.03951	7.1
67.05513	95.1
69.03444	17.5
69.07075	42.0
69.24574	10.4
69.25004	22.0
71.04987	11.2
73.02940	7.5
79.05502	72.4
81.03421	23.6
81.07067	84.8
82.62269	2.7
83.04991	15.1
83.08627	20.9
85.02924	18.2
85.06532	5.5
87.04479	3.4
91.03940	6.4
91.05487	74.3
93.07058	64.9
95.04971	14.4
95.08619	51.2
97.02890	15.5
97.06544	20.3
97.10203	17.3
99.04411	3.8
99.08116	4.7
101.02394	4.6
105.07044	56.4
107.04945	6.7
107.08605	49.8
109.02884	5.9
109.06506	8.0
109.10177	33.6
111.04448	3.1
111.08099	6.5
115.05457	7.1
117.07034	25.0
119.08589	50.7
121.06519	4.3
121.10172	25.9
123.08095	8.6
123.11702	12.0
124.34861	3.3
125.09608	9.9
127.03921	5.9
128.06224	6.6
129.07043	21.1
130.07780	3.4
131.08565	36.6
133.06461	5.8
133.10141	33.0
135.08058	6.3
135.11697	12.9
137.09636	4.6
139.11243	3.7
141.07007	12.0
142.07782	7.2
143.08589	32.2
145.06458	4.0
145.10123	36.8
147.08092	4.6
147.11703	26.8
149.02368	16.0
149.09625	8.3
149.13252	5.0
150.02676	5.8
155.08569	19.1
157.10149	27.6
159.11703	24.1
161.13272	13.8
163.11159	3.3
167.08554	9.6
168.09291	3.3
169.10182	18.7
171.10300	5.0
171.11702	18.3
173.11906	4.9
173.13272	8.6
175.11194	4.8
175.14859	5.9
179.08662	5.3
181.10153	11.2
183.11705	19.8
185.09688	3.7
185.13248	17.6
187.13307	3.7
187.14871	6.7
189.11264	5.1
193.04985	14.9
193.10153	5.9
194.05446	4.7
195.11725	9.6
197.13268	13.1
199.14827	11.0
207.11736	4.3
209.13293	7.8
211.14838	10.5
213.16417	6.8
215.18111	2.9
221.13281	3.3
223.14917	6.6
227.12817	10.7
229.14314	5.8
237.16524	5.9
239.18022	4.8
241.19498	5.2
243.15825	3.2
257.19067	7.1
259.20572	11.1
261.22220	3.2
267.15836	4.3
273.18604	9.2
275.20157	16.7
291.19608	4.9
333.24445	6.6
335.25818	11.8
347.22217	7.1
349.24200	3.8
421.31305	4.1
513.35669	30.5
515.38489	6.1
527.37421	10.3
533.39777	6.6
543.37067	4.2
607.43683	53.6
608.43207	4.7
625.44714	100.0
626.44818	6.8
751.47101	5.1
763.43256	3.5
769.47638	9.0
770.18146	5.4
787.49249	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
55.05262	1.8
55.05516	32.2
57.03437	10.3
57.07077	2.0
61.02933	8.8
65.03931	4.2
67.05508	68.2
69.03423	5.6
69.07070	16.0
69.44004	11.5
71.04992	3.8
73.02902	1.7
75.89983	1.6
77.03907	1.5
79.05046	2.9
79.05501	58.6
81.03423	5.3
81.07060	66.6
83.04984	6.3
83.08624	9.6
85.02906	6.2
85.06551	3.3
86.67127	1.4
91.03951	2.9
91.05485	62.8
93.07050	55.1
95.04963	10.0
95.08611	44.1
97.02876	5.2
97.06520	5.1
97.10152	4.8
97.11948	1.9
103.05457	3.9
105.04533	2.8
105.06368	3.0
105.07040	51.2
107.04950	4.7
107.08599	23.7
109.02921	1.5
109.06536	11.1
109.10158	13.6
111.08076	2.9
115.05453	7.3
115.71165	1.5
116.06226	4.1
117.07025	26.9
119.04958	1.6
119.08595	28.5
121.06494	5.0
121.10159	15.6
123.08088	7.2
123.11719	4.0
125.09628	4.9
128.06221	18.0
129.07016	23.0
130.07811	7.5
131.08574	53.3
133.06505	7.4
133.10135	21.1
135.08069	5.6
135.11688	12.7
137.09587	4.0
141.07019	7.0
142.07785	5.6
143.08566	54.1
145.06509	2.8
145.10135	56.5
147.08066	10.1
147.11673	9.9
149.09593	4.0
149.13232	4.9
151.11162	2.8
155.08577	6.1
157.10141	20.3
159.08081	3.5
159.11728	16.5
161.09625	11.9
161.13252	4.5
163.11153	3.7
165.06897	1.9
165.12721	1.9
166.07825	2.8
167.08592	5.2
169.10162	11.2
171.11688	13.0
173.04562	1.5
173.09692	3.0
173.13280	5.9
175.11172	8.6
175.14900	1.6
177.12766	3.9
180.09331	1.9
181.10139	12.2
183.11708	7.7
185.09680	2.0
185.13264	5.7
187.11162	2.3
187.14847	2.3
195.11688	14.4
197.13295	3.5
199.14864	2.4
209.13274	2.8
211.14836	2.3
213.12785	3.2
227.17976	5.4
231.13937	1.8
237.16380	13.5
241.14369	1.6
245.18915	3.5
255.17477	14.5
261.22141	4.3
273.18506	61.2
274.18668	1.5
291.19492	5.3
329.21204	4.9
335.25809	100.0
336.26260	4.6
347.22208	27.9
377.26505	1.6
446.18445	1.7
455.53421	1.5
455.61050	1.5
515.38245	2.3
561.36761	2.0
607.43604	32.5
608.43671	2.5
613.83301	1.6
625.44238	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
55.05514	41.6
57.03434	13.6
61.02911	3.9
64.08352	2.5
65.03928	3.9
67.05161	4.6
67.05508	73.0
69.03427	8.6
69.07078	20.2
69.53903	22.1
70.34099	2.7
70.95544	2.4
71.04990	3.7
77.03970	3.6
79.05496	63.3
81.03421	6.9
81.07059	77.9
83.04948	6.0
83.08607	15.6
85.02905	7.7
85.06530	5.6
89.51120	2.7
91.03954	2.8
91.05485	90.5
93.07048	62.2
95.04971	12.5
95.08028	4.9
95.08604	56.3
97.02901	5.7
97.06524	11.2
97.10149	9.4
103.05447	4.2
105.04490	4.4
105.07034	71.4
107.04977	9.0
107.08602	32.5
109.06509	9.9
109.10164	19.9
111.08092	5.3
115.05465	11.0
116.06238	6.4
117.07031	49.2
119.08578	41.0
121.06511	5.2
121.10128	22.5
123.08054	9.0
123.11712	5.6
125.09638	5.2
125.58244	3.0
128.06213	28.8
129.07011	29.8
130.07773	10.5
131.08572	96.8
133.06467	9.4
133.10126	26.4
135.08052	6.4
135.11670	11.5
137.09544	3.6
139.11169	4.1
141.06958	13.9
142.07785	6.6
143.08568	100.0
144.09375	4.1
145.06494	5.1
145.10126	93.6
147.08064	11.1
147.11711	12.5
149.09610	9.4
149.13281	6.2
151.07539	3.4
154.07770	3.4
155.05907	3.0
155.08551	11.0
157.10138	27.8
159.08058	6.3
159.11713	28.6
161.09625	16.5
161.13235	5.1
163.11157	3.8
169.10130	18.2
171.08029	3.6
171.11713	20.4
173.09592	8.0
173.13298	5.6
175.11189	7.7
177.12764	6.5
181.10065	17.3
183.11699	10.8
185.09586	5.5
185.13263	8.3
195.11684	23.3
199.11194	3.3
201.12743	5.1
209.13254	3.6
213.12708	3.0
227.17966	8.8
237.16357	18.4
245.18980	4.2
255.17445	26.9
261.22171	6.8
273.18497	83.7
291.19485	8.4
329.21216	9.2
335.21960	5.2
335.25815	94.6
336.26093	5.9
347.22211	42.3
355.87479	2.6
411.18262	3.3
417.31293	3.3
561.36731	4.4
607.43610	45.4
608.43402	4.1
625.44434	7.0
787.46838	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.49601	1.5
65.03943	2.4
67.05514	5.4
69.03430	5.5
69.92107	9.0
70.06583	3.3
71.05003	1.8
72.08170	2.6
73.02885	2.0
79.05490	5.3
80.05025	2.1
81.03418	7.7
81.07072	4.5
82.06554	2.0
83.04999	2.7
84.08148	3.3
85.02902	8.9
91.05508	9.7
93.05818	3.0
93.07068	9.3
94.06571	14.5
95.04992	3.4
95.07361	2.4
95.08607	2.9
96.08154	10.3
97.02893	4.2
97.06528	2.4
103.05514	3.4
105.07030	3.6
106.06535	4.2
107.04946	2.1
107.07333	3.2
108.04490	2.3
108.08128	28.7
109.02885	4.0
109.10158	1.8
109.41825	1.9
110.09689	15.6
115.05474	2.7
119.04959	4.7
119.08586	1.9
120.04494	2.9
120.08110	20.2
121.06474	2.0
121.08929	1.9
122.06041	20.2
122.09642	8.3
123.43319	1.7
124.07599	7.0
127.03937	4.1
132.08104	3.8
133.06480	3.3
134.06026	5.8
136.06624	3.0
136.07591	36.6
137.06006	2.6
138.05489	2.8
138.09143	23.3
144.08171	2.1
146.06010	9.9
147.04428	6.0
148.07594	21.9
150.09137	11.4
152.07103	16.7
158.09663	1.8
160.04001	3.9
160.07581	7.2
162.05518	3.2
162.09142	2.4
163.03922	2.9
164.07088	7.4
166.08646	26.8
167.07028	7.7
172.03952	10.2
174.05525	2.6
174.09151	2.7
176.07074	2.8
177.05461	4.1
178.08655	2.7
181.05040	2.1
190.04984	9.7
190.08539	1.9
197.10811	3.9
199.12379	1.9
204.06544	9.6
207.06615	5.4
209.10756	3.2
210.11401	2.6
211.12328	11.7
213.10237	4.0
221.10890	2.6
222.11382	3.6
223.08742	2.0
223.12265	5.5
224.13071	1.9
225.10220	11.4
225.13904	4.6
226.11052	5.6
227.08325	2.0
227.11848	11.0
235.08655	3.6
235.12357	3.2
236.09383	3.9
236.13101	2.0
237.10168	17.0
237.13773	2.7
238.10953	11.2
239.11806	31.5
240.12553	10.5
241.04964	2.0
241.13405	4.6
248.09431	3.5
249.10103	9.6
250.11086	7.1
251.08153	2.0
251.09102	2.9
251.11821	38.3
252.08932	4.6
252.12534	13.3
253.09654	4.3
253.13356	11.4
254.14056	2.7
255.11365	7.4
256.11938	2.0
262.10999	4.1
263.09189	3.0
263.11798	22.6
264.09113	4.1
264.12619	8.9
265.09808	15.2
265.13269	15.9
266.10638	9.6
266.14084	6.0
267.11292	32.4
267.14664	2.1
267.15408	2.1
268.12042	2.1
269.12881	6.9
271.10803	2.0
271.14502	2.8
273.12311	2.7
275.11670	3.1
277.09683	5.9
277.13287	4.8
278.10471	7.8
279.11282	46.1
280.12061	9.3
281.12820	16.9
283.10883	4.5
284.11490	3.4
285.12347	19.9
291.11258	20.2
292.12115	5.3
293.09460	3.5
293.12787	15.9
295.10883	5.7
296.11475	3.2
297.12381	29.4
298.13159	4.1
299.13882	10.7
300.14639	2.0
305.12689	2.3
307.10745	6.4
309.12332	10.1
310.12955	3.5
311.10474	2.4
311.13879	36.0
315.04852	3.4
319.10782	12.5
321.12424	12.0
322.13110	2.9
323.10339	8.2
323.13724	3.2
325.11771	6.8
327.13489	9.6
328.14578	2.4
329.06741	2.9
330.15933	3.7
331.08078	7.4
337.11801	7.6
337.15466	2.4
339.13516	10.0
340.14172	3.0
341.15079	4.0
344.17618	4.4
351.13379	2.9
353.15033	3.9
355.12674	4.0
356.13870	4.2
357.14532	6.3
358.15451	3.5
359.16043	4.0
369.14481	8.9
370.15610	4.3
371.16019	3.0
372.17117	4.7
379.12692	3.9
381.14230	4.3
382.15524	2.0
383.15964	5.8
384.17346	3.8
385.13541	3.2
386.18845	3.4
393.14490	4.3
395.15826	3.8
399.15488	4.6
400.16489	7.2
401.17178	3.1
402.17926	2.4
404.19724	2.7
405.14490	2.4
407.16135	2.9
411.15451	10.7
412.16275	2.9
413.16992	3.2
414.18192	4.1
416.19913	2.8
417.14777	2.9
418.21341	4.0
423.15506	3.9
427.14764	2.4
429.16687	11.7
430.17444	7.8
432.19073	4.5
435.15701	4.2
439.15021	6.0
441.16605	12.9
442.17783	2.5
446.20587	5.4
448.18491	2.1
450.19888	2.7
451.15396	3.0
453.16611	9.3
459.17899	3.7
463.14890	4.6
465.17001	2.4
467.14493	3.2
469.15967	3.1
471.17590	18.4
472.18661	4.1
481.16391	18.1
483.17426	2.9
556.20636	4.3
558.22333	5.1
562.21503	3.3
566.25305	4.1
570.22284	2.2
574.21667	5.9
578.24774	6.6
580.23114	3.5
586.22052	2.2
588.23480	2.9
590.24628	2.8
592.22937	10.4
593.23724	45.8
594.24469	40.1
604.22906	6.5
606.24615	37.3
607.24890	3.4
616.22772	4.6
618.24371	12.0
620.22424	26.2
621.23102	16.1
622.23999	15.9
624.24738	2.6
634.23987	100.0
635.24738	16.8
636.25427	13.2
652.24963	5.1
666.26556	51.8
667.27264	14.5
703.27423	4.4
711.30023	4.3
721.28552	6.2
725.31604	2.0
729.30835	6.1
739.29663	21.5
757.30847	82.2
758.30524	7.2
789.20636	2.9
789.32831	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	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.3
55.05515	20.7
55.06708	2.1
57.03437	12.9
57.07077	2.6
62.66156	2.2
65.03937	3.2
67.05163	2.9
67.05508	58.6
69.07082	19.9
69.31082	14.8
69.31487	3.7
71.04992	4.0
75.50417	2.0
75.61299	1.8
76.51888	1.8
79.05496	42.4
81.03436	3.7
81.07066	61.3
83.04981	6.3
83.08601	4.9
91.05491	56.6
93.07052	47.2
95.04967	5.8
95.08613	37.1
97.06528	6.9
97.10200	3.8
99.04445	2.7
101.83014	2.2
105.07036	49.7
107.04965	9.3
107.08618	23.8
109.06548	5.6
109.10187	12.0
111.08084	2.1
113.25182	1.9
117.07031	16.4
119.08592	32.4
121.10119	17.6
123.08069	4.2
123.11723	4.3
127.43312	2.1
129.07004	4.2
131.08557	25.1
133.10138	22.6
135.08043	4.7
135.11674	9.9
137.09621	2.8
143.08662	3.1
145.10168	10.9
147.11728	10.6
149.09663	3.3
149.13258	4.1
157.10205	2.2
159.11716	12.7
159.12846	2.1
161.13377	3.9
173.13272	4.6
175.14903	2.6
179.14340	2.5
185.13225	2.1
201.16356	5.0
219.17467	100.0
257.19055	4.9
275.20084	35.8
293.21173	2.9
312.24985	2.2
335.25830	73.0
339.30099	2.4
349.23807	17.1
609.45111	81.2
610.45471	4.0
663.66235	2.6
671.32959	2.7
760.61328	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	789.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	30.7
55.05514	40.4
57.03424	15.0
61.02916	12.4
62.57229	5.0
67.05173	6.9
67.05507	100.0
69.03402	12.2
69.07065	37.7
71.04984	13.4
71.61031	6.2
71.61471	6.9
75.50639	4.7
79.05493	85.8
81.03405	9.8
81.06639	8.0
81.07063	96.1
83.04977	12.0
83.08608	22.9
85.02912	15.1
85.06538	8.3
91.05482	67.0
93.07047	89.7
95.04963	13.5
95.08607	52.3
97.02882	16.7
97.06512	35.5
97.10166	12.8
105.07025	66.4
107.04922	18.9
107.08605	54.4
109.06496	18.5
109.10120	28.0
114.43578	6.0
117.06995	29.4
119.08588	46.4
121.06503	5.2
121.10168	29.0
123.08111	6.1
123.11709	13.8
125.09647	9.9
127.03831	6.1
129.06999	7.9
131.08559	27.4
133.10139	37.2
135.08017	6.4
135.11665	16.3
137.09615	6.8
143.08580	9.3
145.10106	22.0
147.11714	31.2
149.09627	25.9
149.13275	11.1
156.19247	4.7
157.10097	12.0
159.11668	19.2
161.09618	6.7
161.13300	5.8
161.77028	4.9
163.11119	7.7
165.12813	7.3
169.10175	8.4
171.11725	5.9
173.13232	7.4
184.92950	5.9
185.13264	7.6
187.14821	8.1
189.11197	7.2
219.17615	5.7
227.12689	12.3
257.19098	11.3
261.22177	8.4
267.16092	12.4
275.20068	69.4
293.21164	8.7
335.25800	81.2
349.23718	49.1
515.37134	7.9
537.54797	4.7
563.38910	7.7
576.25885	6.4
609.45319	51.5
627.46191	17.3
719.42279	6.0
727.61743	6.4
777.13464	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	790.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
55.05265	2.3
55.05513	37.2
55.47628	1.5
57.03439	16.2
57.07075	12.0
59.05003	32.2
60.42849	1.5
61.02914	4.6
65.03939	3.4
67.05505	100.0
68.05835	1.8
69.03420	6.0
69.07069	16.8
69.35224	14.5
71.04990	11.2
71.08626	12.2
73.02914	3.1
73.06541	2.0
79.05494	36.2
81.03429	10.3
81.07061	48.5
82.07419	1.7
83.04946	4.5
83.08627	15.0
85.02889	5.0
85.10163	4.9
87.04469	44.6
89.06036	21.6
91.04973	1.6
91.05484	27.7
93.07053	39.2
94.07366	1.7
95.04974	7.7
95.08613	34.8
97.02887	4.0
97.06509	3.3
97.10173	13.9
99.04472	14.2
105.07028	14.9
107.07939	2.6
107.08601	27.1
109.10161	51.1
111.04407	1.8
111.08074	4.8
117.07007	6.2
117.09142	2.0
119.08574	13.8
121.06503	1.7
121.10147	18.6
123.11705	4.1
125.09631	14.5
127.03846	2.4
129.06998	2.2
131.08562	12.1
133.08603	14.3
133.10139	8.1
135.11688	8.9
137.09624	4.5
143.08524	2.3
145.10109	7.3
147.11702	5.6
149.13272	5.2
153.12711	1.8
155.10699	2.9
157.10085	1.9
159.11696	4.6
161.13281	5.0
163.11200	3.9
163.14841	2.8
171.11696	1.9
173.11714	13.8
173.13239	5.3
175.11211	2.1
175.14807	2.6
177.11209	6.7
177.12666	1.9
185.13246	1.9
187.14801	3.1
193.12389	2.8
199.13264	8.6
209.11748	2.3
227.12828	4.7
229.14365	31.3
239.76202	1.7
241.14343	3.0
243.21085	3.2
257.13699	2.5
261.22104	9.6
267.15924	4.3
315.18225	3.6
317.24786	3.4
335.25812	48.8
336.26260	2.4
346.54315	1.4
474.90796	1.6
477.35944	10.0
489.35764	37.6
490.36105	2.6
532.86029	2.1
543.36603	2.6
647.46143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.1
55.05507	19.5
55.89402	4.1
57.03433	17.9
57.07085	3.9
61.02912	4.9
65.03938	6.4
67.05212	5.5
67.05513	63.1
69.03430	5.0
69.07065	26.6
71.04989	14.5
71.59578	6.0
79.05120	4.6
79.05507	59.2
81.03430	45.1
81.07064	71.0
83.04963	8.3
83.08616	28.2
85.02920	4.2
90.72373	5.0
91.04969	6.2
91.05490	69.3
93.07063	64.7
95.04987	27.0
95.08624	45.6
97.06510	8.6
97.10158	16.2
105.07050	61.6
107.04951	12.5
107.08612	37.1
109.06573	10.0
109.10162	21.5
111.08086	11.8
114.44543	5.2
117.07013	17.8
119.08600	41.3
121.06525	4.6
121.10146	29.0
123.08036	9.9
123.11690	5.2
125.09671	9.8
129.05460	4.8
129.06993	19.2
131.08568	37.4
133.10162	33.8
135.07994	6.4
135.11708	14.1
141.06934	5.2
141.83823	5.0
142.07791	6.9
143.08554	14.6
145.10165	25.8
147.11690	25.3
149.09637	7.0
149.13242	5.7
151.11212	6.7
155.08492	5.3
157.10123	15.6
159.11700	22.7
161.13278	10.2
163.11200	6.3
169.10176	7.4
171.11702	12.2
173.11760	4.7
173.13194	8.9
175.11221	7.9
175.14792	5.5
181.10196	8.1
183.11688	6.8
185.13280	9.7
189.11217	5.3
193.12193	8.8
199.14841	6.4
209.13264	5.2
227.12852	8.6
241.19493	6.3
259.20615	18.3
267.15933	17.8
275.20016	6.3
301.19983	5.3
333.24249	5.0
421.25891	6.1
433.31107	14.5
451.31815	12.7
469.33429	6.6
517.35010	8.0
525.35785	57.7
543.36835	100.0
544.36792	7.6
575.39264	15.4
637.96832	5.0
790.40649	5.2
791.41077	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	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05516	18.9
57.03439	13.6
57.07087	5.2
61.02923	2.4
63.15785	1.0
65.03939	4.8
67.05508	76.4
69.03440	2.6
69.07075	20.7
70.85098	1.7
70.85414	1.7
71.05016	2.5
79.05498	51.3
81.07061	75.6
83.04974	1.9
83.08623	10.4
85.02924	4.1
85.06541	2.4
89.29716	1.0
91.05486	31.2
93.07051	55.9
94.07352	1.2
94.56277	1.1
95.04971	3.6
95.08610	57.0
97.02895	2.1
97.06535	4.1
97.10166	4.6
105.04537	1.1
105.06360	2.2
105.07034	26.6
107.08601	29.3
109.06550	1.9
109.10158	24.1
111.08064	2.2
111.11659	1.1
117.07032	7.4
119.06139	1.3
119.08583	22.1
121.10153	25.2
123.08042	1.8
123.11708	10.4
125.09637	1.4
127.70282	1.2
129.07033	1.9
131.08582	14.1
133.10146	16.4
135.11700	16.2
137.09593	1.3
137.13271	3.4
143.08533	2.7
145.10139	12.0
147.11703	11.8
149.09642	1.1
149.13266	12.2
157.10179	2.8
159.11713	11.9
161.13284	8.9
163.14799	6.0
166.58180	1.0
169.10213	1.3
171.11769	2.7
173.13306	8.9
175.14807	4.5
177.16425	1.5
185.13275	2.3
187.14857	5.8
189.16368	2.6
199.14822	1.9
201.16428	2.3
241.19496	3.1
243.21175	6.0
259.20544	6.9
261.22168	18.6
263.23621	2.0
273.22128	1.2
317.24780	4.4
333.24170	4.3
335.25815	100.0
336.26163	3.3
337.27472	8.0
353.27167	1.2
521.43195	2.5
529.38489	1.4
595.47144	13.9
613.48395	12.1
780.43164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.9
57.07085	5.6
60.12657	1.0
61.02911	4.9
65.03927	3.9
67.05505	100.0
68.05817	1.2
69.06712	2.1
69.07069	37.2
71.04993	2.0
71.08633	2.9
71.45057	1.3
72.81696	1.1
79.05494	52.2
81.07057	99.0
82.07406	1.9
83.04971	1.6
83.08616	19.3
85.02898	4.2
85.06537	2.9
85.10255	1.3
85.84946	1.3
87.04465	2.8
91.03949	1.6
91.05482	27.8
93.07047	58.7
95.04964	4.4
95.08607	73.4
96.08939	1.4
97.02855	3.3
97.06522	4.7
97.10169	9.4
99.08080	2.4
105.04527	1.3
105.07030	24.2
107.08596	33.2
109.06482	1.8
109.10158	29.6
111.08057	3.2
111.11736	2.0
115.97072	1.2
117.07014	6.3
119.08571	19.2
121.10145	25.2
123.08050	1.9
123.11710	12.6
129.06970	1.9
130.17648	1.1
131.08565	12.4
133.10130	17.2
135.11703	17.0
137.13242	4.7
139.11203	1.7
145.10130	9.7
147.11688	12.8
149.13252	9.6
151.14804	3.0
153.12749	1.4
159.11664	9.0
161.13261	10.5
163.14790	6.0
171.11696	1.7
173.13268	7.2
175.14842	5.7
177.16377	2.9
185.13232	1.8
187.14795	3.3
189.16380	1.2
201.16415	1.8
219.17400	1.4
233.22504	1.6
243.21049	7.0
243.97620	1.1
245.22632	3.4
259.20578	6.1
261.22165	21.3
263.23730	6.1
277.21213	1.3
311.25717	1.3
317.24835	4.3
333.24222	2.8
335.25797	79.2
336.26093	3.5
337.27380	86.7
338.27856	1.4
339.28925	5.8
523.45111	3.4
597.48804	31.1
598.49341	2.5
615.49689	20.1
690.95032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13696	0.8
61.02924	1.5
63.02599	0.9
67.05508	1.6
68.55495	0.8
70.29964	2.1
70.30364	2.1
71.55652	0.8
79.05518	1.1
81.07069	1.9
81.22989	0.8
87.04444	1.9
90.12887	1.0
93.07062	1.8
95.08626	1.1
98.20790	1.0
107.08678	0.9
119.08515	0.9
147.03888	0.9
184.07410	1.5
246.95628	0.9
267.09528	0.9
417.45248	0.9
533.85980	1.1
691.40234	14.7
691.51294	1.5
692.41589	1.2
795.42896	100.0
796.42822	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	795.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.7
57.03429	2.4
59.04978	0.9
61.02930	5.1
67.05502	5.0
68.17882	0.7
69.03416	4.1
69.07068	1.5
70.06592	4.2
71.01366	1.0
71.04989	2.3
71.59837	1.2
73.02921	2.7
79.05495	5.3
81.03426	4.1
81.07062	5.2
83.04948	0.6
83.08603	1.0
85.02924	5.1
91.03965	3.6
91.05484	6.6
93.07056	6.8
95.04992	1.5
95.08612	3.5
97.02901	4.7
97.06509	0.7
101.02383	1.9
105.07030	4.5
107.08604	3.9
109.10172	1.5
115.03903	0.8
119.08593	3.5
121.10163	3.1
127.03936	1.5
131.08588	2.9
133.10089	3.7
135.11710	1.6
139.11241	0.8
141.12473	0.8
145.04974	0.7
145.10161	1.6
147.11702	2.2
149.09639	1.8
155.04424	0.7
157.10155	0.9
161.13226	0.7
175.11188	1.2
193.12306	1.4
225.14899	0.9
243.08446	4.3
267.16086	0.9
283.15207	4.5
301.09006	1.0
339.17822	1.0
381.19424	0.8
423.47165	0.7
475.96576	0.8
501.23090	10.3
535.28900	8.3
573.25232	1.5
604.02753	0.8
634.74371	0.7
705.37878	1.8
795.44952	100.0
796.45569	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	795.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
60.07731	0.7
61.02933	5.7
67.05508	9.4
69.03433	3.6
71.61132	0.7
71.61540	0.8
73.02911	3.4
75.40356	0.9
79.05489	2.9
81.03419	1.8
81.07057	4.7
85.02909	5.7
87.04491	1.5
91.03962	3.7
91.05471	1.6
93.07050	4.0
95.08613	5.4
97.02892	5.4
101.02377	2.0
107.08596	2.0
109.10155	5.7
110.82843	0.7
119.08620	1.9
121.10116	1.4
125.00870	0.8
127.03923	2.0
131.08606	1.0
135.11708	1.4
135.95177	0.7
145.10185	0.9
147.11639	0.8
173.11833	1.4
184.07361	1.0
195.09958	1.5
217.29211	0.7
229.14555	1.0
243.08452	3.0
335.25888	0.9
383.13025	0.8
413.17880	10.0
519.29218	7.5
666.82941	0.9
691.40277	100.0
692.40698	5.2
749.43396	1.1
777.43744	1.2
795.44171	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	797.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
61.02929	6.4
63.36399	0.4
67.05505	6.2
69.03442	3.3
69.07072	1.6
70.82927	0.6
70.83263	1.1
71.04973	0.4
73.02928	4.3
75.04460	0.4
79.05491	4.0
81.03425	1.7
81.07052	5.8
83.08617	0.5
84.82661	0.4
85.02911	5.6
87.04443	0.5
91.03978	3.9
91.05486	2.3
93.07062	4.2
95.08618	4.8
97.02916	5.0
99.04455	1.1
101.02365	2.1
104.95123	0.4
105.07050	1.1
107.08622	2.0
109.02885	1.0
109.10196	1.6
119.08617	1.1
121.10162	1.7
127.03924	1.3
131.08578	1.1
133.10181	0.5
135.11754	0.9
147.11726	0.7
175.71144	0.4
185.04242	0.6
191.37187	0.4
201.94830	0.4
203.05307	0.9
207.17125	0.4
243.08530	1.4
335.25662	0.6
406.85297	0.5
422.60373	0.5
432.81345	0.5
519.29260	12.7
520.29822	0.6
605.06055	0.5
625.29279	0.5
780.32581	0.4
797.51764	100.0
798.52191	6.8
802.68671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
57.07080	0.5
61.02932	6.6
67.05507	6.7
69.03430	4.0
69.07057	2.0
70.63945	1.1
73.02921	4.9
79.05484	3.2
81.03426	2.5
81.07061	7.3
83.08627	1.3
85.02911	7.0
91.03968	4.6
91.05482	2.2
93.07059	3.6
95.08607	5.2
97.02903	4.9
97.10173	0.7
99.04459	0.7
101.02386	3.1
105.07054	1.3
107.08601	1.7
109.02898	1.0
109.10152	2.1
119.08608	1.0
121.10170	1.7
127.03951	1.7
133.10165	0.9
135.11682	0.7
145.10239	0.6
147.11690	0.6
184.23303	0.5
185.04230	0.7
188.51440	0.4
202.79721	0.4
208.91901	0.4
218.66838	0.4
228.44983	0.5
243.08484	1.8
335.25784	0.6
357.98608	0.4
459.75082	0.4
497.30505	0.5
519.29315	8.4
520.30316	0.6
521.30878	6.7
799.53308	100.0
800.53607	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	28.9
67.05490	2.9
69.03413	3.6
69.07063	4.9
71.05005	1.1
71.08632	26.3
73.02923	1.6
73.06557	11.3
79.05499	1.6
81.03367	1.3
81.07052	4.0
83.08619	4.9
85.10181	16.1
87.04471	14.4
89.06035	100.0
93.07045	2.2
93.20261	0.9
95.08615	2.9
96.59070	0.9
97.10175	4.9
99.11740	3.2
104.79252	1.1
105.07034	1.8
107.07082	1.9
107.08588	1.8
109.10119	1.7
111.11722	2.9
112.07588	7.1
113.13313	1.8
117.09137	9.8
118.21071	1.1
125.13268	1.7
127.14862	1.5
130.08652	2.8
131.07011	3.8
131.08513	1.1
133.08609	44.9
135.10167	1.0
140.07074	6.5
146.72086	1.1
161.11746	1.2
175.09645	1.5
177.11237	19.1
184.07314	2.4
197.22607	2.3
219.12396	1.1
221.13837	4.3
241.25237	1.1
245.84496	1.0
274.64862	0.9
283.17627	1.5
285.27921	4.7
329.30435	3.7
337.27533	1.1
543.28809	1.3
559.59436	1.1
624.44568	1.5
642.45618	1.2
787.56763	1.9
804.60718	2.1
839.53278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	21.2
65.03927	6.2
67.05502	78.4
69.03425	3.1
69.07055	12.8
71.34572	4.9
71.73397	2.1
77.03896	2.0
79.05491	49.7
81.03429	3.7
81.07053	61.1
83.04994	4.1
83.08602	9.2
85.06538	10.7
91.05482	38.0
93.07041	44.2
95.04969	59.3
95.08606	36.3
97.06523	3.8
97.10169	4.3
98.43881	2.6
105.04499	2.4
105.07032	23.6
107.04965	10.9
107.08582	24.0
109.06519	62.1
109.10132	11.6
111.08071	3.8
113.06008	24.4
115.05442	3.6
117.07028	14.6
119.08578	16.3
121.06506	6.0
121.10137	15.1
123.08076	5.0
125.09592	3.9
129.07024	7.7
131.08554	19.5
133.06505	3.2
133.08577	2.5
133.10114	12.5
135.08057	36.9
135.11688	11.6
137.05989	2.3
143.08549	7.2
145.06444	2.8
145.10139	14.5
147.08044	5.0
147.11656	5.5
149.09576	6.6
149.13229	5.0
155.08562	3.1
157.10130	4.4
159.08054	4.9
159.11691	8.1
161.09636	6.5
161.13312	3.1
163.11192	2.9
169.10078	2.4
171.11659	3.1
173.13235	6.0
175.11177	2.8
177.12668	3.0
178.40877	2.5
184.07347	3.6
199.14737	3.5
217.15869	12.3
255.17369	5.7
261.22260	2.9
273.18518	36.0
291.19543	100.0
335.25800	82.4
335.29858	4.0
336.26144	3.6
347.22104	11.4
365.23145	18.4
529.39301	3.2
567.40448	3.0
579.38226	7.6
607.43634	13.1
625.44556	54.4
641.24268	2.6
763.24377	2.4
805.52991	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	806.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	19.8
61.02913	3.7
63.05125	4.0
65.03929	4.9
67.05166	4.5
67.05508	86.6
69.03418	14.6
69.07069	31.3
71.04981	13.5
71.61034	5.8
74.91840	3.1
79.05498	76.4
81.03425	100.0
81.07062	86.2
82.84106	3.7
83.04985	19.9
83.08627	41.7
85.02916	7.9
85.06522	4.3
88.69624	3.3
91.03947	3.9
91.05489	77.8
93.06529	6.4
93.07051	63.1
95.04970	41.7
95.08616	36.0
97.02895	7.1
97.06525	10.8
97.10165	28.2
105.07035	62.5
107.04958	22.4
107.08591	49.5
109.06513	13.2
109.10149	19.8
111.08076	12.9
115.05481	7.0
117.07066	16.6
119.08594	47.2
121.06481	12.1
121.10155	25.6
123.08054	10.9
123.11679	6.0
125.09643	22.6
127.03942	4.0
128.06189	5.1
129.07018	16.6
131.08560	32.1
133.06435	5.0
133.10129	30.5
135.08061	5.4
135.11690	15.8
137.09627	9.1
139.11186	4.2
141.07037	5.2
142.07774	6.7
143.08534	10.0
145.06528	8.0
145.10152	22.3
147.08134	6.0
147.11684	23.5
149.09641	15.8
149.13281	5.9
151.11188	5.8
153.09167	4.3
155.08524	9.1
157.10095	14.7
159.11702	11.7
161.09590	6.5
161.13255	3.9
163.07588	3.9
163.11188	12.5
169.10107	10.8
171.11745	4.8
173.09781	5.4
173.13271	6.5
175.11195	14.9
179.14375	5.8
183.11700	6.8
185.13248	5.6
189.11188	7.8
193.12231	28.7
195.13876	5.1
199.14975	3.8
201.12833	4.3
211.13156	4.5
227.12819	19.0
229.14326	5.5
249.14825	4.6
255.15874	10.6
257.19061	9.2
267.15918	95.9
269.17566	19.8
275.20065	29.7
291.19543	14.7
329.97894	3.4
349.23685	29.4
365.23413	3.9
421.25647	6.1
437.25223	5.1
443.28058	7.7
447.27313	26.6
449.30365	3.8
461.28979	79.7
467.30774	3.8
485.32486	4.8
493.31842	7.5
501.32397	7.0
503.29901	4.4
541.35364	80.4
559.36194	25.7
587.31885	3.9
591.38312	4.0
825.32037	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	806.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.8
57.07072	1.3
61.21437	0.9
63.61382	0.8
65.03923	2.0
65.83167	0.9
67.05508	42.1
69.03407	1.3
69.07070	12.8
69.43689	0.9
71.04993	2.1
79.05047	1.8
79.05500	33.6
81.03407	2.8
81.07059	44.8
83.04963	2.3
83.08609	5.6
85.06540	2.5
86.09719	1.0
91.05482	34.0
93.07050	38.3
95.01315	1.9
95.04958	5.1
95.08611	31.2
97.06545	7.6
97.10167	2.1
98.12383	0.8
99.04436	1.7
99.08078	1.5
103.05433	1.1
103.27633	1.0
105.07030	32.0
106.07386	1.6
107.04960	7.0
107.08601	19.1
109.06523	6.5
109.10159	10.1
111.08128	2.0
117.07013	8.4
119.08578	21.9
121.06503	1.7
121.10153	13.2
123.08063	2.2
123.11720	2.5
125.09659	1.0
129.07016	2.5
131.08577	18.5
132.57642	1.0
133.10132	18.8
135.08049	3.0
135.11705	8.1
137.09612	3.1
143.08549	2.0
145.06531	1.0
145.10139	9.4
147.11703	7.5
147.56256	1.1
149.09616	2.6
149.13275	3.6
157.10153	2.2
159.11711	6.3
161.09657	1.1
161.13245	3.0
163.14789	1.0
173.13252	3.3
175.14821	1.6
177.12831	1.4
179.14270	2.8
184.07381	2.1
185.13141	1.2
201.16469	1.9
203.14384	2.2
219.17450	55.0
220.17743	1.3
249.24910	1.0
257.19009	2.7
266.66693	1.2
275.20096	29.9
276.20462	1.1
293.21155	2.1
296.17416	0.9
335.25806	76.1
336.26245	3.5
349.23730	19.0
365.40808	1.0
477.79428	1.0
609.45142	100.0
610.45410	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	806.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.4
65.55521	2.5
67.05508	32.5
69.07053	10.8
71.44717	4.4
71.45049	2.7
79.05502	23.8
80.36497	2.7
81.07069	31.3
85.02898	3.0
91.05498	13.2
93.07058	23.8
95.08599	22.8
97.02872	3.2
97.10155	2.7
105.07017	6.0
107.08612	12.4
107.64687	2.6
109.10136	9.7
109.83942	2.3
117.06998	3.4
119.08582	10.0
120.91716	2.3
121.10146	13.0
123.11691	3.7
126.05484	2.4
131.08553	7.2
133.10126	8.6
135.11696	11.7
145.10110	4.4
147.11679	4.8
149.13295	5.0
159.11685	5.0
161.13264	4.4
163.14780	3.9
173.13239	4.2
198.89990	2.8
259.20563	3.7
261.22223	13.7
304.26321	6.4
333.24313	3.1
334.68823	3.0
335.25812	100.0
335.29889	5.2
337.27249	5.6
470.87775	3.2
595.47137	10.3
613.48492	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	807.345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.8
67.05505	6.0
69.03427	6.1
69.07059	2.5
70.06602	3.6
71.11792	3.0
72.08181	2.3
79.05505	6.8
80.04993	2.3
81.03426	6.5
81.07051	5.2
82.06602	2.0
84.08142	2.9
85.02893	6.1
91.05495	12.0
93.07063	10.4
94.06600	12.0
95.04972	4.8
95.07352	8.3
95.08618	5.8
96.08139	17.8
97.02911	5.2
97.06575	2.0
99.04456	2.0
103.05492	3.0
105.07058	4.7
107.04971	2.1
107.08644	3.3
108.04490	3.8
108.08127	19.2
108.57843	1.7
109.02899	7.2
109.10178	2.1
110.09692	26.7
117.15869	1.7
119.04932	2.5
119.08585	3.6
120.08119	16.6
121.10194	1.9
122.06039	14.4
124.07593	2.8
127.03931	6.6
132.04378	2.1
133.10197	3.0
134.06007	3.2
135.08116	2.3
135.11674	1.7
136.06152	4.7
136.07576	9.4
137.05989	3.7
138.09143	34.4
145.02864	2.7
145.06427	2.6
146.05986	2.3
147.04436	6.0
148.07573	7.4
149.06090	1.8
150.09145	5.5
151.03885	2.6
152.07060	4.6
160.03967	13.0
161.05972	2.7
162.05513	2.7
164.07101	6.1
166.08658	36.2
167.07031	5.9
172.03966	2.4
175.03944	3.5
177.05482	5.5
181.04985	2.8
204.06654	2.3
207.06561	6.0
209.10834	2.9
211.08690	3.7
211.12337	3.5
213.10257	3.9
223.08698	5.4
223.12402	2.2
224.12941	2.4
225.10211	20.4
225.13747	3.7
226.11002	12.0
227.11792	8.5
231.04492	1.9
237.06503	2.2
237.10321	8.6
237.13942	4.1
238.11053	6.8
239.08194	7.3
239.09476	2.0
239.11780	25.1
240.12622	7.9
248.09372	2.2
249.10210	9.0
250.10960	9.6
251.08215	4.7
251.11797	31.2
252.09024	2.5
252.12476	5.5
253.09819	11.6
253.13374	18.7
254.10539	13.5
254.13280	1.7
255.11400	2.3
263.11829	21.3
264.12555	8.3
265.09808	9.8
265.13376	30.5
266.10532	5.5
266.14120	4.2
267.11325	13.7
267.14996	3.6
268.11884	3.4
271.10687	2.7
277.09641	2.5
278.10632	4.4
279.11276	14.1
280.11996	2.4
281.12894	26.3
282.13712	3.0
283.10825	5.3
283.14365	4.3
285.12277	14.1
286.13104	2.6
291.11270	5.9
293.12839	14.8
294.13654	4.2
295.10751	3.4
295.14188	2.4
296.11520	3.2
297.12387	8.0
299.13934	19.3
309.12332	69.4
310.12830	3.8
311.13928	29.1
313.15366	2.3
320.11542	2.5
321.12210	6.6
323.13922	2.9
324.11014	2.5
325.11774	4.5
327.13425	100.0
328.13794	4.7
329.06323	2.7
337.11850	14.8
338.12430	6.8
339.13364	13.8
341.15030	16.1
344.14093	2.1
351.13605	2.3
352.13943	2.2
353.15045	5.4
357.14523	4.3
359.16083	9.0
369.14499	39.6
370.15216	2.7
371.16074	35.0
372.16882	2.3
386.18735	2.4
400.16248	2.4
404.19647	3.7
411.15524	6.6
413.17288	2.3
416.19562	6.1
418.17398	2.2
425.16837	3.4
429.16299	2.1
430.17828	5.0
432.19489	13.4
435.15393	3.2
443.17865	2.9
448.18604	28.6
453.16428	6.9
460.12650	3.3
460.18698	40.7
471.17551	7.5
473.19275	2.8
474.20203	7.1
480.21310	54.6
481.21832	2.4
492.21387	88.1
493.21533	4.4
513.18445	3.9
522.22382	5.3
524.24084	4.2
534.22217	5.4
556.20880	2.1
562.20636	2.8
586.22046	2.5
592.22760	4.8
594.24384	8.0
595.25134	5.9
600.23419	4.2
604.23041	5.3
606.24542	8.8
613.26642	22.8
618.24268	5.7
622.23383	2.3
624.25708	14.6
636.25806	11.1
645.28479	3.8
654.26306	4.7
721.28973	2.2
725.31628	5.2
739.28864	2.9
757.29932	2.8
807.33020	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.8
57.76445	2.1
65.03945	3.9
67.05509	16.1
69.03435	11.5
69.07063	2.7
70.06593	5.1
71.04968	2.5
71.59892	2.6
73.04665	2.0
79.05504	14.6
80.05018	5.2
81.03419	17.2
81.05797	3.6
81.07047	6.8
82.06574	6.5
84.08166	3.0
85.02914	11.0
86.09678	4.1
91.05470	20.2
93.05820	4.7
93.07059	23.5
94.06568	36.1
95.04963	9.8
95.07369	22.8
95.08614	5.2
96.08136	45.8
97.02895	7.3
97.06548	5.3
99.04445	2.2
101.72820	2.1
103.05466	6.2
105.04492	2.5
105.07019	5.3
106.06568	6.0
107.04943	2.8
107.08559	3.8
108.04485	11.9
108.08121	59.4
109.02866	7.9
109.06575	2.1
109.08923	3.5
109.10158	2.3
110.09689	78.2
110.10464	3.7
111.04388	2.5
113.05994	1.9
118.08636	3.0
119.04941	4.2
119.08557	3.2
120.04462	3.4
120.08105	59.6
121.02884	2.7
122.06039	34.1
122.09676	6.5
123.06823	3.9
123.08098	2.4
124.07590	9.8
127.03871	11.2
131.05009	3.0
132.04478	6.4
133.06569	2.4
134.06018	10.3
136.07588	35.4
137.05977	6.0
138.09151	97.9
144.08040	2.7
145.02794	3.6
146.06021	8.6
146.09631	3.3
147.04402	5.8
147.11603	2.1
148.07599	25.6
149.05978	3.3
150.05481	2.9
150.09151	13.0
152.07094	17.4
158.06084	2.2
160.03969	25.2
160.05183	3.1
160.07590	7.1
162.05424	2.7
162.09174	4.2
164.07098	6.9
166.08643	88.3
167.07033	8.6
172.03946	13.3
172.07549	2.7
174.05504	4.4
176.06952	2.8
177.05444	6.2
178.05009	5.4
181.04922	4.9
184.07530	2.4
190.04968	6.9
192.06580	5.0
193.08687	2.6
196.09885	2.4
197.10759	5.3
198.09268	3.0
198.11464	2.1
199.08658	7.7
200.10884	3.4
204.06560	19.2
207.06497	8.4
208.06975	3.2
208.09654	2.9
209.10733	2.3
210.07669	2.4
210.11528	6.7
211.08627	12.4
211.12286	17.2
212.09453	6.5
212.13147	5.0
213.06558	2.1
213.10190	14.3
216.10201	4.1
221.10670	3.6
223.08716	15.2
223.12206	11.0
224.09436	6.2
224.13083	4.3
225.10233	57.9
225.13922	8.1
226.10934	24.0
227.11777	23.8
229.13162	3.3
232.09727	3.3
235.08641	7.8
235.12337	5.0
236.09386	7.8
237.10205	34.9
237.13832	10.8
238.10960	19.1
239.08257	25.2
239.11801	94.8
240.12578	22.7
241.09695	4.9
241.13434	12.2
244.09708	3.5
246.11266	5.7
248.09497	6.7
249.10089	22.2
249.14006	3.5
250.10970	26.7
251.08220	11.3
251.11810	85.3
252.08855	10.9
252.12552	17.0
253.09743	30.9
253.13365	61.4
254.10442	25.1
254.14006	7.1
255.11238	7.0
255.14925	3.3
260.09598	2.2
262.10977	3.5
263.08813	4.3
263.11777	61.2
264.09052	5.9
264.12573	11.7
265.09766	29.2
265.13376	73.4
266.10510	24.9
266.14035	7.9
267.08417	3.6
267.11285	66.5
267.14709	7.4
268.12024	7.4
269.12927	9.2
271.10806	9.3
271.14429	3.9
272.11490	2.3
275.11685	4.2
276.12720	2.8
277.09741	13.8
277.13330	6.9
278.10419	13.7
279.11298	52.4
280.12213	10.2
281.12863	100.0
282.13354	6.0
283.10782	16.4
283.14389	7.0
284.11505	4.6
285.12360	43.9
286.13052	9.5
291.11307	20.3
292.11884	9.0
293.12888	39.6
294.13647	2.5
295.10965	5.4
295.14407	11.4
296.11493	7.9
297.12366	29.3
298.13159	10.0
299.13956	33.9
303.11194	3.9
305.12811	3.2
307.10696	7.0
307.14319	3.1
309.12357	81.8
310.12930	10.8
311.13907	51.1
312.14377	4.8
313.12027	4.8
313.15518	10.8
319.10724	8.8
319.14130	2.7
321.12405	21.6
322.13138	2.6
323.10547	2.8
323.14017	7.8
325.11954	11.4
326.12579	4.0
327.13394	57.5
328.14032	6.0
330.15921	2.8
337.11890	12.3
338.12503	2.5
339.13513	17.6
340.14398	3.3
341.14969	81.9
342.15454	3.8
343.12860	3.3
351.13287	15.7
353.15030	28.5
355.12918	5.4
356.17462	2.6
357.14636	12.4
358.15417	5.1
359.15927	6.4
369.14496	45.6
370.15253	6.2
371.16077	21.6
372.16946	6.4
374.18631	2.9
379.12607	3.1
381.14444	7.6
383.16095	9.1
384.16992	3.0
386.18948	3.0
388.16348	2.8
393.14307	3.8
395.15735	3.6
397.17667	3.1
399.15567	7.5
400.16412	6.3
401.17087	7.7
404.19882	2.5
406.14468	2.7
407.16440	4.8
411.15494	35.2
412.16275	5.0
413.17056	21.1
414.17972	3.3
416.19733	7.6
420.19150	3.0
423.15442	3.4
425.17114	15.2
429.16681	19.7
430.17545	7.0
432.19052	8.1
433.20020	3.7
435.15585	18.4
437.17221	6.4
439.14828	6.3
441.16531	9.2
442.17654	4.5
443.18317	22.7
444.19037	4.4
446.20770	3.2
448.18607	7.4
453.16571	50.1
455.18039	9.1
459.17874	4.7
460.18692	10.6
462.20010	8.6
463.15176	3.1
465.16617	5.9
467.17999	7.6
469.15952	4.6
471.17685	60.8
472.18457	3.4
473.19150	21.7
474.20245	22.3
480.21182	6.3
481.15900	7.9
483.17542	11.5
485.19293	13.6
490.19470	6.7
491.20227	3.0
492.21304	12.3
495.17618	3.7
497.19211	5.6
499.16846	3.3
501.18713	7.3
502.19351	6.8
503.20410	12.0
506.22626	8.2
513.18604	18.3
515.20313	20.9
522.22479	37.4
530.22223	4.3
531.19586	13.3
533.21295	11.1
534.22369	23.0
535.21594	2.4
540.20758	2.6
542.22882	4.0
556.20917	11.4
558.22150	5.6
560.23560	2.9
562.21490	11.5
568.20380	6.3
572.23865	3.6
574.21954	17.5
578.23688	2.4
582.23962	3.6
586.21686	20.4
588.23322	22.6
590.25195	5.3
592.22852	22.7
594.16022	3.9
594.24530	56.4
595.25128	8.6
600.23730	22.1
603.25452	5.0
604.22876	24.3
606.24530	55.8
607.24603	2.8
608.25543	3.7
610.24042	5.0
613.26324	12.9
616.22754	3.3
618.24420	37.1
619.24445	3.1
622.23950	7.7
624.25543	80.4
625.25928	5.0
631.24841	3.2
632.25696	3.7
634.24091	15.3
636.25513	77.9
643.25842	2.5
645.29395	2.6
650.27502	3.1
652.24896	14.4
653.25507	4.6
654.26880	25.2
664.24823	9.3
666.26172	3.0
667.27362	2.7
668.27838	4.8
675.28076	2.9
684.27411	5.2
685.28174	4.8
693.29218	11.1
703.27032	4.3
707.30695	17.1
711.29895	5.3
721.29181	13.2
725.31775	46.0
729.31000	3.2
739.30145	10.9
743.32782	12.3
753.31201	16.7
757.30627	14.4
771.31299	7.3
775.31506	4.4
789.33057	6.2
807.32452	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	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	16.3
57.07061	5.4
65.03954	5.7
67.05507	95.0
68.31505	3.7
69.07073	26.9
74.76299	3.8
79.05494	79.5
81.07059	88.0
83.05022	5.8
83.08624	12.8
85.02924	3.8
91.05482	81.7
93.07047	100.0
95.04965	13.1
95.08609	71.9
97.06560	5.8
97.10194	9.7
100.66483	4.4
105.07032	74.7
107.08607	53.9
109.10188	29.8
111.08070	5.7
117.07022	25.3
119.08593	61.3
121.10127	37.1
123.08101	7.1
123.11707	7.1
129.06966	9.5
131.08557	35.2
133.10126	45.2
135.11673	26.2
143.08566	12.9
145.10107	28.3
147.11682	42.4
149.13297	12.0
157.10089	13.6
159.11705	18.5
161.13261	31.0
171.11710	12.0
173.13260	14.3
175.14842	11.0
183.11653	8.0
185.13211	9.2
187.14822	5.6
197.13393	4.5
199.14804	7.6
210.31752	3.9
219.85735	4.5
231.21005	4.6
241.19554	21.8
243.20938	6.2
259.20569	57.3
261.22217	6.0
284.29651	4.9
304.81744	4.1
315.23169	6.9
333.24295	49.8
335.25803	79.6
434.24307	4.3
519.41681	6.0
593.45209	10.8
611.46735	51.6
692.35840	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03187	1.1
57.03441	17.6
57.07058	3.7
57.31134	1.1
61.02914	3.3
65.03927	3.2
67.05508	61.8
69.03425	2.0
69.07072	14.5
71.04979	2.6
71.59810	1.1
79.05495	46.0
81.03419	2.7
81.07061	60.4
83.04988	3.0
83.08630	8.6
85.02914	2.5
85.06554	3.0
91.05481	43.2
93.07048	61.3
95.04981	6.5
95.08614	50.3
96.08968	1.2
97.02879	3.7
97.06529	4.4
97.10138	2.8
99.08080	3.0
103.05488	1.2
105.04555	1.3
105.07030	35.2
106.07354	1.0
107.08600	32.1
109.06510	2.3
109.10163	20.1
111.08092	2.2
111.11716	1.2
113.09646	1.3
117.07024	12.1
119.08586	25.2
121.10147	27.1
123.08058	3.7
123.11694	4.2
125.09637	2.0
129.06984	4.8
130.07744	1.2
131.08582	18.6
133.10132	21.7
135.08070	1.2
135.11699	18.2
137.09647	2.5
137.13272	1.4
142.07672	1.0
143.08553	6.0
145.10135	14.6
147.11682	17.1
147.12801	1.8
149.09566	1.1
149.13268	6.9
151.11160	2.1
155.08525	1.1
157.10135	3.3
159.11682	12.5
161.13268	8.5
163.14822	3.7
165.12616	1.5
169.10179	1.4
171.11627	5.4
173.13252	8.7
175.14807	3.4
177.12711	1.5
179.14403	1.5
185.13269	3.5
187.14822	8.7
189.12799	1.2
199.14803	3.2
201.16403	2.0
203.93840	1.1
205.15923	4.0
213.16560	2.3
221.19084	1.5
231.21106	1.4
233.96948	1.3
239.17996	1.3
241.19597	8.3
243.21074	2.5
257.19186	1.5
259.20581	19.0
260.21030	2.1
261.22134	9.1
275.20139	1.3
277.21646	16.6
293.21161	2.4
315.23297	2.2
317.24927	2.5
331.22778	1.1
333.24243	12.8
335.25812	100.0
336.26093	4.2
337.27310	1.8
351.25317	29.2
352.25708	1.5
529.38379	2.4
571.43774	1.5
593.45624	2.6
611.46698	30.9
612.46765	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
57.29896	0.6
59.04995	0.8
59.77159	0.5
61.02933	5.3
61.90491	0.6
64.25998	0.6
65.03943	0.8
67.05511	6.3
69.01136	0.6
69.03442	3.9
69.07076	2.9
69.23210	5.3
69.23613	1.2
70.06573	0.6
71.01348	0.7
71.05001	1.7
73.02914	5.0
76.19826	0.6
79.05505	5.4
80.09344	0.6
81.03426	6.6
81.07060	5.9
83.04989	1.2
83.08640	1.9
85.02915	6.1
87.04470	0.7
91.03967	2.7
91.05489	7.0
93.07053	4.7
95.04972	2.4
95.08646	3.1
97.02895	4.2
97.06548	1.6
98.20634	0.6
99.04478	1.1
101.02386	2.1
105.07030	3.8
107.04961	1.1
107.08578	3.5
109.02884	1.2
109.06536	1.3
109.10164	1.6
117.06995	0.7
119.08594	3.2
121.10174	2.5
123.08051	0.8
123.11702	0.8
127.03930	1.4
129.06981	1.5
131.08571	2.7
131.59392	0.6
133.09337	0.6
133.10117	3.1
135.11729	1.4
145.10207	0.8
147.04456	0.9
147.11703	2.7
149.09676	2.4
157.10187	1.3
175.11217	1.2
184.07326	1.1
193.12315	1.4
243.08435	4.2
246.29012	0.7
267.16031	0.7
283.15039	3.1
333.20569	2.4
337.88892	0.6
339.17728	0.8
389.23361	0.9
439.19458	1.5
453.21100	1.2
469.20419	1.3
501.23126	13.6
551.28210	7.3
635.42114	0.7
660.50629	0.7
713.37048	0.7
721.37579	3.8
811.44525	100.0
812.44873	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	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
61.02926	5.8
65.03937	0.6
67.05508	6.6
69.03436	2.9
69.07066	1.9
69.21735	5.2
71.01389	0.6
73.02927	5.5
79.05496	4.3
81.03411	2.2
81.07058	5.7
81.69145	0.4
83.04994	0.6
83.08613	0.4
85.02917	5.5
85.21507	0.4
87.04469	0.5
91.03962	3.4
91.05483	3.3
93.07050	5.5
95.08611	4.5
97.02898	5.2
97.06523	0.5
99.04493	0.9
101.02390	2.3
105.07027	2.7
107.08598	3.2
109.02862	0.7
109.10177	1.8
117.07073	1.1
119.08568	2.3
121.10179	1.8
121.74336	0.4
127.03964	1.4
131.08592	1.6
133.10139	1.5
135.11707	1.5
137.09698	0.5
145.10165	1.4
147.11719	0.8
159.11736	0.5
203.05296	0.7
219.17560	1.0
243.08487	2.4
248.72873	0.5
315.19345	4.0
335.25864	0.5
493.75784	0.5
508.18085	0.6
519.29248	10.3
533.27234	4.9
534.94238	0.6
785.70221	0.5
811.49670	100.0
812.49951	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	813.4902
Annotation	Glabrin C
Peak:m/z	Relative Intensity
57.30710	2.3
70.94126	5.3
70.94488	3.5
76.24297	2.7
117.23752	2.5
120.06980	2.8
149.13301	3.0
171.98389	2.6
357.09344	2.4
410.05731	2.8
495.36075	3.1
535.27722	3.2
813.49310	100.0
814.49860	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	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
61.02931	7.4
67.05511	7.0
69.03426	3.5
69.07075	2.0
70.35411	0.6
70.62477	0.7
70.98627	1.5
71.01347	0.8
71.05013	0.7
73.02921	5.6
74.15147	0.7
79.05493	5.4
81.03426	2.6
81.07063	6.3
83.08639	0.9
85.02904	6.5
87.04476	0.8
91.03962	3.8
91.05479	4.0
93.07050	6.4
95.08627	4.5
97.02901	6.1
99.04478	1.2
101.02411	2.9
101.03033	0.6
105.07015	3.4
107.08627	2.5
109.02850	1.4
109.10177	1.2
119.08634	3.1
121.10164	2.4
127.03936	1.1
127.88466	0.7
131.08597	1.4
133.10158	1.5
135.11720	0.9
145.10126	0.8
146.35046	0.7
147.11726	1.3
149.13307	1.2
159.11652	0.9
184.07430	1.6
243.08459	2.9
301.51196	0.8
335.26105	1.1
401.92459	0.7
519.29327	9.5
535.28912	5.6
564.25531	0.7
591.30786	0.8
813.51239	100.0
814.51721	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	817.2183
Annotation	CHEBI:75516
Peak:m/z	Relative Intensity
57.03428	0.8
59.95473	0.6
65.03935	2.0
69.03416	2.1
69.88812	1.1
69.89215	2.5
70.06582	1.5
75.01421	0.5
77.03905	0.7
79.01885	0.6
81.03431	5.5
81.07040	0.7
81.75032	0.6
83.04926	0.7
84.08163	0.7
85.02901	3.4
86.09708	0.9
88.41231	0.6
89.03901	1.3
91.05488	26.4
92.05823	1.1
92.99697	0.6
93.07051	0.7
97.02893	1.4
97.06546	0.9
103.05470	0.9
107.04906	0.6
107.08556	0.7
109.02877	3.2
118.04165	0.7
119.04953	36.3
121.02860	1.5
123.04456	0.7
126.91123	0.6
127.03939	1.2
131.04907	0.9
132.02049	1.1
133.02827	1.1
135.04399	2.0
137.02347	3.2
137.05968	1.4
141.01855	0.7
145.02840	1.7
147.04414	33.8
149.02353	2.2
149.09587	0.7
157.03944	3.4
158.99693	1.0
161.02330	1.6
161.06026	0.9
163.03915	2.5
164.04620	1.1
165.01866	8.0
167.03491	1.1
167.07039	1.3
175.03920	55.8
176.04340	0.9
177.01967	0.8
177.05470	2.6
179.03375	0.7
179.07019	1.9
181.04933	1.1
183.02963	2.8
187.03818	0.7
191.03406	1.1
192.04239	1.0
195.02898	1.1
205.04916	1.7
207.06537	100.0
208.06866	1.2
209.08171	0.6
245.04599	0.7
255.06561	1.2
260.79926	0.7
283.06027	3.9
286.04794	2.2
287.05508	4.3
295.05957	1.4
297.07623	6.1
299.05518	58.4
300.06140	4.7
301.06906	0.8
309.07376	1.0
311.05609	6.5
311.08951	1.0
313.07022	2.6
321.07587	1.9
323.05487	1.4
325.03445	1.5
325.07037	12.6
329.06558	26.1
330.07083	0.9
337.07089	2.3
339.04816	1.2
339.08588	7.8
340.08887	0.7
349.07114	2.5
351.10815	4.9
353.06555	15.5
354.06842	0.8
355.08237	0.8
365.06546	8.8
367.08139	0.8
369.11667	4.3
377.06573	6.4
383.07666	4.0
395.07614	9.7
413.08701	6.1
431.09766	6.5
435.14407	1.3
509.14478	1.0
631.13763	0.7
651.69574	0.7
655.15802	1.4
667.16614	12.6
668.16595	1.1
679.16803	0.8
697.17468	8.0
698.18488	0.8
721.17651	9.3
733.17114	1.0
745.17487	1.1
751.18518	6.5
763.18738	5.2
781.19891	8.9
799.20490	7.0
817.23920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.3
58.68161	0.4
62.40062	0.3
65.03940	4.4
66.04707	0.6
67.05499	0.5
68.99767	0.3
69.03420	0.9
69.07070	0.4
69.44034	0.5
69.44434	2.0
70.06589	0.4
79.05504	1.8
81.03412	0.5
81.07047	1.7
85.02904	1.0
85.34900	0.3
91.05482	24.5
93.07061	0.5
94.04191	4.6
95.04970	0.6
95.08614	0.4
97.02900	0.5
98.21504	0.6
99.84538	0.3
105.07039	0.6
107.04968	1.3
107.08599	0.8
109.02892	0.5
109.06533	3.1
109.10160	0.5
117.03346	0.4
119.04947	41.8
120.05227	0.4
120.58543	0.3
121.10146	0.7
122.03651	9.3
127.03889	0.6
131.08554	0.3
133.10104	0.5
135.08026	0.4
137.05980	82.1
138.06299	0.8
141.21001	0.3
145.10106	0.4
147.04411	99.0
148.04739	1.2
149.05984	1.2
151.03929	0.5
153.01813	3.6
164.82127	0.3
167.07047	0.7
177.05470	0.8
181.04987	0.5
207.06491	0.9
253.04974	0.8
257.88217	0.3
265.05081	0.4
266.05789	4.6
267.06482	1.2
280.03467	0.7
281.04535	0.6
282.05133	0.4
292.07196	0.4
294.05222	10.3
295.06012	5.5
296.06784	0.8
297.04160	0.3
306.05377	2.3
307.06140	0.4
307.09625	0.8
310.04529	0.5
310.07828	0.4
311.05579	2.1
311.08682	0.4
312.06192	0.5
315.05127	0.5
317.06705	0.4
322.04721	10.9
323.05670	1.8
324.06360	0.7
325.03433	1.0
325.10748	0.6
326.04102	0.5
327.04971	0.9
331.08179	1.6
334.04779	1.7
337.07071	0.5
339.05017	11.5
339.12173	1.0
340.05743	9.9
341.06631	1.5
343.08185	0.6
345.07733	0.4
351.04990	1.2
352.05756	2.5
355.08130	75.2
356.08618	2.4
367.08185	8.0
370.08237	0.4
371.09045	0.4
373.06970	0.5
384.06326	1.4
385.06708	0.4
387.08844	0.6
391.08105	0.4
397.07349	0.6
398.07816	0.9
399.08719	2.0
400.05576	0.5
401.06558	1.9
405.09546	0.4
412.05649	0.5
413.06323	0.6
415.08203	2.5
416.08789	0.9
427.08121	3.1
429.05750	1.8
430.10983	0.4
431.11188	0.7
433.09009	0.6
442.06921	0.5
443.07590	3.2
444.08316	2.1
445.09055	0.8
458.09903	1.3
459.10846	1.9
461.08685	2.6
463.09769	0.7
475.10431	1.7
476.11053	4.0
491.13385	100.0
492.13678	3.0
504.36584	0.4
509.14478	31.0
510.14661	1.1
517.13434	1.0
522.38263	0.4
523.37927	0.3
647.65802	0.3
653.18689	10.4
655.18060	0.7
671.19788	18.8
672.19757	1.0
675.58337	0.3
817.43469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
61.86018	0.5
62.18110	0.5
65.03926	2.2
67.05486	0.7
69.03413	1.5
69.07053	0.7
70.06577	0.9
71.04987	0.7
71.60857	0.7
74.22915	0.6
79.05493	2.7
81.03399	1.6
81.07050	2.0
84.08122	0.7
85.02918	2.9
90.08121	0.6
91.05483	15.7
93.07034	1.4
94.04173	1.5
95.04922	0.9
95.08570	0.9
97.02905	1.1
103.05424	1.3
105.07024	7.8
107.04947	3.3
107.08595	0.9
109.06499	1.7
109.10138	1.6
117.07031	0.6
119.04948	22.9
119.08588	1.5
121.10143	0.9
122.03661	3.1
127.03909	1.6
131.08577	1.0
133.06491	16.0
137.05980	32.0
138.51006	0.6
145.10078	0.8
147.04416	54.0
148.04738	2.0
149.06001	1.0
149.13350	0.7
153.01842	2.2
157.06517	2.6
165.09109	1.0
167.07106	0.8
175.03912	3.3
175.07549	0.9
177.05446	0.7
181.04852	0.7
187.07527	2.3
201.05542	1.4
207.06488	1.6
219.08099	0.9
235.07768	0.7
242.05753	1.0
247.07599	0.7
247.51843	0.6
252.07878	0.6
258.05148	1.2
266.05698	2.7
267.09915	0.6
270.05258	7.6
273.04022	1.0
279.10144	1.2
286.04633	0.8
287.05606	2.8
294.05173	4.6
295.05981	2.4
295.09637	4.2
299.05359	1.2
301.03253	0.6
302.04254	2.4
306.05298	0.9
307.09656	3.7
311.05560	0.7
315.04980	27.0
316.05780	3.0
322.04803	4.6
323.05389	1.0
325.10748	3.1
329.06516	1.3
331.08121	100.0
332.08655	3.6
339.04959	5.1
340.05804	3.4
351.04318	0.7
352.05545	1.0
355.08133	35.7
367.08096	2.5
399.08353	1.0
401.06302	0.7
427.08093	1.0
429.05991	0.7
443.07733	0.8
444.08130	0.7
458.10025	0.8
459.11020	1.0
461.08301	0.8
476.11081	1.9
491.13379	39.6
492.13641	1.4
509.07043	1.1
509.14487	19.0
653.18402	2.5
655.18066	4.5
671.19678	6.9
817.41394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56645	0.2
60.48770	0.2
65.03966	0.4
67.05542	0.5
69.03461	0.6
69.07088	0.3
69.65051	0.5
69.65475	0.8
70.06638	0.3
72.84406	0.2
74.55786	0.2
79.05492	1.0
81.03456	0.4
81.07095	0.7
85.02939	0.6
91.05480	1.5
93.07086	0.5
95.05021	0.6
95.08663	0.4
95.63096	0.2
97.02936	0.5
97.10255	0.2
98.20741	0.4
103.05529	0.7
105.07030	6.4
107.04958	2.6
107.08621	0.3
109.02924	0.4
109.10187	0.4
115.05474	0.5
119.04957	1.6
119.08561	0.2
121.02917	0.5
121.10210	0.3
122.03718	0.8
127.03980	0.3
128.06230	0.3
130.97581	0.2
131.04959	0.5
133.06497	18.1
134.06804	0.4
135.04518	0.2
137.05980	6.0
144.05748	0.3
145.06506	0.5
145.10217	0.2
147.04417	2.2
147.05301	0.2
149.06009	0.3
151.03958	0.5
151.07590	0.2
153.01865	1.1
154.02711	0.3
157.06500	3.1
157.10181	0.2
160.05286	0.4
161.06032	0.2
163.03908	0.4
167.07074	0.3
171.04428	0.3
172.05229	0.6
175.03918	3.1
175.07623	0.8
177.05461	0.5
178.02629	0.3
179.08655	0.3
181.05019	0.4
187.07568	2.5
189.05473	0.3
191.07109	0.6
193.04982	0.3
201.05394	1.4
203.07088	0.7
205.04938	0.3
207.06435	0.5
207.08130	0.8
218.07321	0.4
219.08163	0.7
223.07706	0.3
231.06595	0.7
234.06857	0.6
235.07568	1.0
236.08313	0.4
239.10385	0.2
241.04996	0.4
242.05751	1.3
247.07629	1.2
249.41307	0.2
251.06958	0.2
252.07869	0.3
255.06700	0.5
258.05167	1.3
263.07123	0.5
264.07932	0.6
267.10187	0.4
270.05243	7.2
273.04004	0.8
275.07202	0.3
277.08649	0.4
279.07352	0.2
279.10272	0.9
280.07416	0.3
281.07938	0.3
281.12048	0.2
282.18619	0.2
286.04684	1.1
287.05469	3.0
292.07300	0.5
295.09662	4.1
299.05527	1.4
301.03452	1.6
301.06802	0.4
302.04218	2.3
302.07425	0.3
307.09662	4.6
308.10373	0.2
313.03433	0.4
315.05005	28.9
316.05670	3.8
325.10703	2.7
329.06473	0.7
331.08124	100.0
332.08521	1.9
355.07996	0.4
459.11282	0.2
491.13266	0.9
493.13425	1.7
645.59296	0.2
655.07629	0.3
655.18054	4.9
817.32654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.3
57.03430	0.3
65.03944	0.6
67.05499	0.7
69.03424	1.0
69.07063	0.3
70.06605	0.6
70.52547	0.9
79.05492	1.1
81.03419	1.1
81.07058	0.9
84.08121	0.3
85.02910	2.3
91.05479	4.9
93.07028	1.1
94.04186	0.9
95.04989	0.6
95.08628	0.7
97.02887	1.0
97.06548	0.3
103.05478	0.9
105.07041	4.9
107.04970	2.7
107.08586	0.6
109.02879	0.9
109.06512	1.2
109.10152	0.5
111.04456	0.3
115.05475	0.8
117.06990	0.3
119.04942	6.9
119.08574	0.6
121.02853	0.5
121.06484	0.3
121.10118	0.5
122.03651	2.2
125.09668	0.3
127.03921	0.8
131.04933	0.6
131.08636	0.5
133.06502	15.8
133.10083	0.3
135.04367	0.4
137.05986	19.0
144.05727	0.3
145.02870	0.7
145.05025	0.4
145.06474	0.4
147.04419	17.1
148.04817	0.3
151.03992	0.4
153.01823	1.6
157.06506	2.5
160.05232	0.4
160.07536	0.3
161.06044	0.3
163.03889	0.5
163.07532	0.4
165.09114	0.3
167.07042	0.5
175.03897	3.5
175.07556	0.9
177.05453	1.3
179.07074	0.5
181.04997	0.5
187.07524	2.2
191.07037	0.8
201.05504	1.2
203.06963	0.7
207.06529	0.8
207.08188	0.6
211.45340	0.3
213.05591	0.4
218.07307	0.4
219.08101	0.5
231.06425	0.6
234.06909	0.4
235.07622	0.7
241.04944	0.5
242.05751	1.7
247.07550	1.4
255.06593	1.1
256.07428	0.3
258.05234	1.5
263.07129	0.4
264.07959	0.5
266.05667	0.7
267.10135	0.3
270.05261	8.0
273.03897	1.4
277.08591	0.5
278.05844	0.5
279.10104	0.9
280.07254	0.4
281.08170	0.6
283.05966	0.3
284.06757	0.3
286.04770	1.0
287.05499	4.3
294.05228	1.5
295.06171	0.9
295.09674	3.7
299.05432	1.4
301.03424	1.9
302.04150	2.9
306.05362	0.4
307.09656	4.8
308.10242	0.3
309.07474	0.3
313.03522	0.9
315.04999	32.9
316.05719	4.3
322.04773	1.7
325.10684	2.9
329.06427	0.5
331.08136	100.0
332.08536	2.8
339.05011	1.6
340.05737	1.7
341.06592	0.4
355.08167	11.5
367.08203	1.2
384.06403	0.5
398.07864	0.4
399.08798	0.5
401.06573	0.3
427.07858	0.3
443.07541	0.6
444.08392	0.3
445.09244	0.5
459.10559	1.0
461.08429	0.4
475.10397	0.4
476.11224	0.4
491.13431	17.8
492.13684	0.7
509.14401	5.9
653.18518	1.0
655.18164	5.2
656.18530	0.4
671.19373	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	28.6
57.07368	1.4
59.05010	1.2
69.07067	3.6
71.08637	30.8
71.26816	0.7
71.60665	1.1
73.02920	1.0
73.06562	10.6
81.07058	2.3
83.08630	5.5
85.10189	16.8
87.04476	13.6
89.06038	100.0
91.05427	1.0
91.07630	1.4
97.06533	1.2
97.10184	5.2
99.11739	3.3
100.50740	0.8
101.78871	0.7
107.07069	2.2
111.11729	3.0
113.13281	1.8
117.09138	10.6
125.13235	1.8
127.14925	1.1
130.08624	3.9
131.07085	4.2
133.08612	48.8
135.10167	1.3
141.16423	1.9
143.37328	0.8
153.82510	0.8
160.08073	0.7
161.11784	2.4
175.09721	1.5
177.11241	20.3
207.86095	0.8
211.24275	2.4
221.13885	3.5
231.69330	0.7
239.14944	0.8
255.26849	2.3
265.16577	1.2
283.17691	1.0
299.29559	5.2
309.19223	0.9
343.32117	2.1
801.59277	1.7
803.78564	0.9
818.61121	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	820.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.3
57.07059	2.2
62.10076	1.0
65.03938	2.0
67.05511	27.1
68.11409	1.4
69.03412	2.1
69.07074	7.3
71.05000	1.2
71.39967	1.0
71.60120	2.3
79.05495	22.5
81.07059	27.0
83.04980	2.7
83.08625	7.7
85.06548	1.3
91.05482	21.9
93.07040	18.5
95.05000	2.1
95.08623	18.3
97.02908	1.3
97.10184	9.8
105.07044	8.8
107.08599	11.6
109.10177	10.5
111.08107	1.8
115.05478	2.1
116.06258	1.4
117.07024	10.6
119.08590	100.0
120.09004	1.3
121.10172	8.6
124.99950	1.2
125.09654	8.6
128.06197	1.7
129.07022	4.4
131.08551	5.1
133.06491	2.8
133.10107	4.4
135.08081	6.8
135.11716	2.9
135.64522	1.6
143.08560	3.4
144.05727	1.8
145.06473	1.8
145.10129	11.1
147.08049	6.2
147.11661	2.3
149.13226	2.2
155.08600	1.8
157.10172	8.6
159.08064	36.7
159.11685	4.1
161.09628	1.6
169.10100	6.7
171.11665	2.8
173.09651	6.5
173.13266	2.5
175.07526	1.3
183.11703	4.0
184.07431	2.5
185.13223	1.5
189.11227	6.6
197.13260	3.3
225.16380	3.6
227.12794	13.5
229.14314	2.9
232.44170	1.4
234.62627	1.2
235.14743	2.0
243.17633	1.4
245.13788	1.7
253.15872	3.9
259.20703	1.4
261.22238	3.0
271.16943	13.8
289.17993	8.4
313.27402	4.9
335.25806	52.5
345.20621	5.0
363.21622	21.2
379.29800	2.3
448.48132	1.3
505.35297	2.2
507.40408	2.6
587.46185	2.2
605.41162	2.5
623.43036	45.7
624.42786	1.7
774.95544	1.6
820.51575	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	820.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	29.1
70.16912	13.9
70.23604	14.5
70.96149	17.1
78.45641	17.2
81.07048	20.0
91.05448	18.3
93.07047	21.8
95.08617	29.1
97.27042	18.2
114.09443	18.6
229.49872	21.0
261.30200	18.1
335.25833	100.0
741.45123	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	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.3
65.03939	6.2
67.05506	69.6
69.07072	21.2
71.04982	6.0
79.05499	53.8
81.07058	65.3
83.04969	6.9
83.08618	9.5
85.06520	5.8
91.05481	57.0
93.07043	48.4
95.04964	8.8
95.08612	46.9
97.06502	8.0
97.10148	5.4
98.40631	4.6
99.98237	5.7
105.04604	5.1
105.07022	42.8
107.05003	5.2
107.08627	27.3
109.06557	7.2
109.10156	15.9
115.05471	9.0
117.07021	22.9
119.08610	35.8
121.06538	5.2
121.10145	17.6
123.08164	5.9
123.11767	6.1
125.09670	8.6
128.06241	13.4
129.07010	15.0
130.07808	9.8
131.08571	57.6
133.10156	17.7
135.08090	7.6
135.11699	7.9
141.06969	8.0
143.08553	53.6
145.10136	55.6
147.08081	9.0
157.10132	17.3
159.08119	5.5
159.11699	15.6
161.09645	11.2
169.10193	7.1
171.11710	13.8
181.10101	6.2
183.11758	5.4
195.11684	12.8
237.16403	12.7
255.17390	10.4
261.22067	5.1
273.18546	43.0
329.21069	11.5
335.25809	100.0
347.22137	33.2
607.43597	68.4
612.58728	5.8
625.44116	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	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.7
57.07070	3.0
61.02922	3.8
65.03941	5.0
67.05505	100.0
68.08887	1.9
68.57519	2.0
69.03421	6.1
69.06715	2.0
69.07068	25.2
69.26524	8.1
69.26954	9.7
71.04977	7.1
73.02921	2.6
79.05058	3.5
79.05497	66.3
81.03402	7.2
81.07060	95.9
83.04987	34.0
83.08622	9.3
85.02899	2.7
85.06540	7.2
91.05480	68.0
93.07047	77.2
95.04964	11.6
95.08036	3.2
95.08614	49.3
97.02869	3.3
97.06516	6.1
97.10165	4.0
99.04450	1.9
103.05465	2.2
105.04519	2.7
105.07034	60.8
107.04956	8.4
107.08597	45.0
109.06515	9.7
109.10166	60.5
109.10906	3.1
109.25862	1.7
111.08059	3.2
115.05377	3.0
117.07001	12.7
119.08575	26.1
121.06501	7.0
121.10144	21.7
123.08082	4.6
123.11709	12.9
127.07534	2.8
129.06985	4.9
131.08578	20.9
133.06500	2.3
133.10129	70.2
135.08052	6.8
135.11717	12.5
137.09599	3.8
143.08571	6.4
145.10132	13.9
147.08025	3.9
147.11642	8.7
149.09587	6.2
149.13268	5.9
151.11188	28.7
155.08617	1.8
157.10126	5.5
159.08023	2.9
159.11684	8.2
161.09601	8.4
161.13225	6.4
163.11098	2.1
163.14861	3.0
169.10048	2.2
169.12224	4.5
173.13242	7.1
175.11102	2.5
175.14851	2.5
191.14156	2.1
197.13104	2.2
208.56721	1.8
214.66422	1.8
215.12660	3.3
243.21121	2.9
245.19035	2.3
253.14352	79.7
259.20566	3.0
261.22180	10.9
263.20059	4.6
270.31619	2.1
271.15469	2.2
273.18472	26.1
291.19592	22.3
317.24792	3.3
333.24384	1.9
335.25800	97.4
336.26096	2.3
347.22290	8.8
355.23587	2.0
365.23215	36.0
417.29504	2.4
479.16290	1.9
513.35358	5.1
529.34741	3.2
531.29523	3.4
531.36829	29.3
543.41138	2.1
607.43390	5.8
625.44666	57.1
626.44751	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.5
57.07064	1.3
61.02930	2.0
65.03939	2.9
66.96349	1.0
67.05510	62.2
69.03436	8.1
69.07074	33.8
71.04987	2.5
78.15559	1.0
79.05499	45.6
81.03414	4.6
81.07062	51.4
83.04979	4.4
83.08627	12.7
85.02894	2.0
85.06533	1.5
91.05492	28.0
93.06458	2.1
93.07052	43.4
95.04984	10.5
95.08613	36.2
97.02901	10.2
97.06530	4.1
97.10172	11.5
100.69861	1.1
103.05476	1.5
105.04571	1.3
105.07043	20.3
106.72176	1.0
107.04979	6.2
107.08601	23.4
109.06518	3.8
109.10168	15.7
111.04449	1.7
111.08070	1.8
115.05461	1.0
117.07027	8.8
119.04978	2.3
119.06053	1.0
119.08587	17.4
121.06524	2.9
121.10154	15.8
121.22041	1.0
123.08079	4.2
123.11700	3.3
125.09660	7.6
127.07552	1.5
129.06990	3.6
130.07867	1.4
131.08577	10.6
133.06479	3.2
133.10146	10.9
134.07309	1.6
135.08032	3.5
135.11700	9.1
137.09619	3.6
143.08549	3.9
145.10133	9.1
147.08034	4.5
147.11685	4.7
149.09648	2.4
149.13269	4.3
151.11137	1.1
157.10158	2.5
159.07985	1.5
159.11684	5.2
161.09657	3.0
161.13298	1.6
163.11241	1.7
163.14891	2.1
165.09079	1.5
169.10217	1.6
171.10153	1.2
171.11690	3.2
173.13313	3.7
175.11244	2.5
177.12814	1.4
187.14784	1.4
189.11217	4.1
193.12254	1.4
195.13728	1.2
205.12328	2.8
223.13286	18.7
227.12843	3.2
243.21173	2.4
245.19128	1.0
249.14922	3.3
253.14459	1.2
261.22263	7.4
273.18530	13.4
291.19559	100.0
292.19913	2.2
317.24750	2.9
335.25812	82.5
336.26132	2.3
347.22195	1.9
365.23242	42.9
545.38269	3.1
607.43219	3.1
625.44659	76.6
626.44855	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	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.5
57.07071	3.8
61.02914	2.0
65.03939	3.8
67.05509	99.7
68.05821	1.9
69.03425	5.9
69.07072	31.4
69.29771	12.5
71.04994	6.1
79.05497	71.1
81.03420	9.7
81.07061	100.0
83.04987	34.6
83.08620	10.1
85.02913	1.9
85.06550	7.7
89.06020	2.6
91.05485	68.4
93.07049	74.4
93.51032	1.4
95.04975	17.6
95.08611	64.8
97.02879	3.4
97.06543	9.7
97.10149	6.7
98.35159	1.5
99.00607	1.4
99.04475	1.4
99.08128	1.6
103.05474	3.1
104.87682	1.4
105.04500	2.3
105.07040	57.5
107.04955	12.3
107.08601	52.8
109.06501	9.2
109.10162	47.3
111.04438	1.6
111.08086	5.3
112.30089	1.3
115.05451	4.5
117.07023	14.2
119.07781	2.0
119.08594	40.2
119.09433	2.4
121.06578	7.7
121.10144	24.8
123.08087	10.4
123.11700	12.7
123.34734	1.5
125.06068	1.5
125.09633	6.1
127.07513	2.0
128.06148	2.0
129.07005	6.6
131.08565	22.8
133.06476	7.1
133.10136	59.0
135.08069	11.5
135.11707	13.5
137.09599	5.0
141.06961	1.8
143.08578	9.0
143.84055	1.5
145.10136	16.3
147.08044	9.2
147.11688	9.8
149.09636	11.0
149.13229	6.4
151.11186	25.9
153.64038	1.5
155.08563	1.8
157.10165	7.2
159.08075	10.2
159.11729	9.1
161.09634	8.2
161.13239	6.0
163.11150	3.0
163.14781	2.6
165.12796	1.7
169.10196	3.5
169.12257	4.8
171.11690	5.8
173.09631	1.9
173.13252	5.4
175.11179	6.2
175.14819	3.4
175.32549	1.5
177.09102	3.8
177.12846	1.7
179.10637	3.2
185.13268	2.7
187.11246	2.1
187.14720	2.6
189.12758	2.7
197.13258	2.0
199.14836	2.8
215.12788	4.2
227.12823	3.0
227.17992	2.9
237.54660	1.7
241.68468	1.5
243.21072	4.1
245.19022	4.2
251.00909	1.4
251.12798	3.5
253.14371	70.2
255.17436	6.2
259.20505	1.6
261.22067	12.1
263.20105	6.5
273.18500	40.1
275.20261	2.2
289.17929	2.8
291.19543	43.1
309.20575	4.7
310.85684	1.5
315.23541	1.5
317.24524	2.7
331.23456	1.8
333.24268	1.9
335.25821	81.7
336.25977	2.8
337.27219	5.0
347.22134	15.5
347.40082	1.5
349.24191	2.1
363.21695	4.5
365.23257	64.3
366.23721	1.7
448.27826	1.8
503.36768	2.1
513.35718	5.0
519.46149	1.7
529.35291	3.6
531.36536	11.5
543.40668	1.8
545.38470	2.0
568.61072	1.8
607.43359	8.9
625.44684	89.5
626.45068	3.9
648.67877	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04978	2.1
61.02926	2.6
65.03930	5.2
67.05508	97.8
69.03426	7.1
69.06774	2.0
69.07076	26.6
71.04979	3.8
71.20315	4.5
76.48629	2.1
79.05498	73.9
81.03410	7.2
81.07061	82.0
83.04961	7.0
83.08625	18.4
85.02886	6.1
85.06533	3.8
89.48550	2.2
91.05485	53.7
93.06461	4.3
93.07050	74.9
95.04954	12.4
95.08607	58.2
97.02900	4.7
97.06532	10.2
97.10178	12.6
99.08066	3.8
99.35945	2.4
103.05579	2.8
105.07040	45.6
107.04958	7.6
107.08601	49.9
109.06502	7.7
109.10157	27.7
111.08068	4.8
115.05413	3.1
117.07027	24.8
119.08588	37.3
121.06516	2.4
121.10143	28.4
123.08040	3.9
123.11707	6.3
125.09611	10.4
127.03905	4.4
129.07010	10.5
131.08569	28.8
133.10138	21.7
135.08034	4.4
135.11707	19.3
137.09563	3.0
141.07024	2.3
143.08545	6.4
145.10144	26.1
147.11700	14.9
149.09636	9.9
149.13252	9.0
150.51086	2.0
155.08542	3.7
157.10101	7.0
159.11711	20.7
161.09613	2.4
161.13228	7.0
163.11185	6.1
163.14818	3.8
165.12775	2.2
169.10115	2.7
171.11694	4.8
173.13252	10.7
175.14847	3.7
177.12701	2.3
183.11674	6.0
185.13257	6.3
187.14754	2.3
189.11226	5.7
193.12175	2.1
197.13301	3.6
199.14867	3.5
203.14331	2.3
219.17445	4.7
227.12770	12.8
229.14357	8.1
239.17914	5.3
243.21121	2.6
247.20592	2.8
257.19000	15.8
259.20602	4.8
261.22122	12.1
264.80328	2.1
267.15784	4.5
267.56705	2.1
269.17505	5.7
275.17215	3.6
275.20068	46.9
293.17575	2.2
293.20972	4.0
309.20541	3.6
317.24597	3.3
320.30658	2.0
331.22577	3.9
333.24252	2.5
335.25821	100.0
336.26013	4.6
339.18143	2.0
349.23743	36.8
367.24988	3.1
467.23383	2.0
489.35437	7.7
491.78693	2.1
491.86328	2.0
505.34982	4.1
515.36981	2.5
529.38892	5.4
545.38934	3.3
560.77863	2.0
569.41821	5.3
595.31055	2.0
609.36115	2.9
609.45258	48.2
610.45435	3.9
627.46313	5.4
825.47076	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.1
65.03944	4.1
67.05508	97.7
69.03433	8.3
69.07069	31.4
70.00352	5.1
71.04997	6.4
79.05498	76.1
79.60454	1.5
81.03433	9.4
81.07060	100.0
81.98440	1.5
83.04560	1.9
83.04985	11.5
83.08628	15.0
85.02905	6.0
85.06538	4.4
90.14983	1.3
91.05485	54.5
93.07053	82.9
95.04976	9.5
95.08611	61.0
97.02896	5.2
97.06529	10.3
97.10192	4.5
98.20808	2.1
99.08118	4.2
99.55648	1.6
103.05473	2.9
105.04562	2.7
105.07027	40.0
107.04951	4.5
107.08596	39.2
109.02892	1.7
109.06537	5.9
109.10162	22.6
111.08096	4.7
113.09671	1.8
115.05489	1.8
117.07024	20.2
119.08585	30.6
121.06506	2.8
121.10157	29.2
123.08099	4.1
123.11698	7.8
125.09609	2.1
127.03883	2.7
128.06235	1.9
129.05476	1.8
129.07005	6.6
130.07806	2.4
131.08574	27.7
133.10132	24.6
135.08078	2.0
135.11703	16.6
137.13225	2.3
143.08589	6.1
145.10132	18.0
147.11690	13.3
149.09631	6.6
149.13263	14.5
151.11203	2.6
155.08588	2.7
157.10170	6.7
159.08113	1.6
159.11714	16.2
161.09605	1.9
161.13193	7.4
163.11180	6.7
163.14799	2.0
169.10129	3.6
171.11703	5.7
173.04465	2.2
173.11833	2.9
173.13199	11.0
175.11259	1.6
175.14830	2.0
177.12761	3.6
181.12187	1.7
183.11755	1.6
185.13281	3.1
187.14864	2.0
189.11220	1.9
191.14296	1.9
195.11685	1.7
195.13751	4.3
197.13342	2.3
199.14832	2.5
201.16400	2.4
210.44438	1.5
217.15862	2.0
227.12752	2.1
229.14430	3.1
229.19452	2.4
235.16864	2.8
239.18021	3.6
243.21059	3.4
247.20483	2.3
255.15912	8.2
257.19043	8.3
259.20517	2.1
261.22141	12.5
267.15918	1.9
269.17490	22.4
275.20084	23.9
293.21106	3.2
309.20462	7.1
317.24838	2.1
318.95126	2.0
331.22815	2.8
333.24316	1.6
335.25809	93.0
336.26138	2.1
349.23785	19.9
367.24817	2.7
437.34161	2.0
489.35754	3.6
515.37445	12.7
529.38916	51.5
530.39185	3.3
543.40454	3.1
569.42114	14.8
570.42352	1.8
609.45160	20.6
627.46106	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01541	4.3
61.02914	5.2
67.05506	54.5
69.07071	23.5
71.34789	8.6
71.35112	4.7
76.57047	5.4
78.37687	4.6
79.05495	53.8
81.07059	62.7
83.08622	11.0
84.04517	5.6
85.02912	4.8
91.05481	55.0
91.26057	4.9
93.07039	62.3
95.04987	5.8
95.08611	50.5
97.10150	6.3
103.62064	4.5
105.07029	56.9
107.08597	35.3
109.10167	25.4
117.07006	22.6
119.08594	43.8
121.10155	21.7
123.11703	6.8
125.09682	4.9
128.06218	9.1
129.06995	24.9
131.08578	41.2
133.10150	30.4
135.11702	12.1
141.07077	4.8
143.08556	20.8
144.26953	4.8
145.10158	36.2
147.11694	16.8
149.13255	8.8
155.08562	15.8
157.10112	24.2
159.11696	24.3
161.13254	11.4
161.81351	4.3
167.08498	6.2
169.10143	15.5
171.11694	24.4
173.13268	10.7
183.11699	15.9
185.13287	13.7
187.11415	5.6
187.14798	5.3
197.13298	10.2
201.75500	4.4
209.13345	6.9
259.20648	5.6
323.23309	4.9
333.24304	7.0
517.40527	15.2
554.19043	5.1
591.44006	8.5
598.43921	4.5
609.45245	100.0
624.43396	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55990	1.0
61.02917	1.8
67.05505	18.0
69.03070	2.2
69.03434	43.2
69.07074	6.6
70.02934	1.7
70.06563	2.7
71.04977	2.0
71.61165	1.5
72.04488	1.7
79.05498	9.6
80.05003	1.2
81.03415	3.0
81.07060	10.6
82.06577	3.9
83.08604	2.2
84.04494	3.1
84.08149	17.5
85.02883	1.7
85.06524	1.3
86.06053	3.0
87.04471	14.8
88.03992	3.3
91.05479	7.1
93.07042	11.2
94.06564	2.9
95.04996	2.3
95.08611	9.2
98.06045	3.5
98.81328	1.0
102.05528	6.9
105.07023	4.4
107.08595	3.8
109.10168	6.7
110.06034	1.5
112.07613	93.4
113.07941	1.0
117.06993	1.8
119.08572	3.5
121.10136	3.1
123.04369	1.2
131.08578	2.1
133.10118	2.4
135.11682	2.3
140.07074	100.0
145.10152	2.1
149.09586	1.4
155.08411	1.0
158.08130	11.8
163.11179	2.4
168.89476	1.0
173.11760	1.5
174.07642	1.6
174.97145	1.0
180.13919	1.6
184.07373	1.6
190.12276	2.5
195.11598	1.2
229.14339	4.5
238.01071	1.1
267.15854	1.6
275.20215	1.1
276.15881	1.7
294.16998	2.5
302.12271	1.9
335.25885	7.3
336.25888	1.4
386.21628	2.4
489.35522	2.6
628.41620	2.5
646.43164	16.9
664.44153	25.4
665.44513	1.4
675.23328	1.3
767.50195	1.1
779.04919	1.2
826.47833	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69175	0.8
61.02665	0.9
61.02935	6.4
63.45836	0.8
67.05508	15.8
69.03438	9.1
69.07069	4.7
70.06597	8.5
70.98637	2.0
71.04998	100.0
72.73282	0.8
73.02921	4.1
79.05497	15.7
80.05020	1.9
81.03438	4.5
81.07065	11.9
82.06596	1.6
83.05000	1.6
83.08625	3.3
84.08148	6.1
84.59898	0.7
85.02916	4.6
86.06087	7.9
87.04481	0.9
88.03983	4.7
91.03979	1.3
91.05491	7.2
93.07052	11.5
95.04982	2.2
95.08614	6.9
96.08141	10.7
97.02901	6.2
97.10172	3.9
98.06089	4.8
99.04508	1.0
101.02397	1.3
104.10767	0.9
105.07040	3.9
105.17094	0.8
106.06588	1.6
107.04984	0.9
107.08606	7.8
109.02867	1.3
109.06474	1.1
109.10178	4.4
111.08137	1.8
112.07607	6.6
117.07044	2.3
119.08622	2.4
121.10120	4.0
122.06051	1.1
124.07594	6.7
125.09611	4.9
127.03933	1.5
131.08569	1.9
133.10173	1.8
135.08076	1.4
135.11732	2.0
140.07088	0.9
141.07907	1.3
142.08646	7.6
145.10097	1.0
149.09705	0.9
152.22881	0.8
153.09152	2.4
158.08159	12.5
159.11699	1.0
170.08177	4.0
184.07355	0.8
189.11305	2.5
227.12874	3.3
261.22263	1.3
335.25803	8.8
620.42218	0.9
664.44446	3.3
722.37958	1.1
826.49506	79.8
827.50134	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	826.4946
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02932	6.0
67.05510	13.9
68.05053	1.9
69.03436	8.7
69.07072	3.9
69.89230	4.2
70.06605	9.6
71.04996	100.0
73.02928	3.3
79.05500	15.8
81.03436	4.4
81.07059	10.8
82.06596	1.9
83.04962	2.1
83.08627	3.3
84.08143	5.8
85.02919	7.0
86.06070	5.8
88.03997	3.5
91.03955	2.3
91.05476	8.3
91.65369	0.8
93.07045	12.3
94.06593	1.7
95.04982	3.2
95.08606	7.4
96.08135	11.9
97.02911	5.5
97.10163	5.0
98.06066	4.9
98.20792	1.2
101.02397	1.7
105.07056	3.9
106.06597	2.3
107.04955	1.0
107.08595	7.8
109.02870	0.9
109.06535	1.3
109.10136	4.4
111.08109	2.7
112.07616	7.8
114.09188	1.2
115.05492	1.0
117.07032	1.9
117.36782	1.0
119.08607	3.1
120.93382	0.8
121.10146	4.5
123.11792	1.5
124.07578	4.6
125.09641	4.8
127.03999	1.7
131.08551	2.0
133.10130	1.3
135.08110	3.1
135.11635	1.8
140.07089	1.7
141.07896	1.7
142.08650	10.7
143.94995	0.9
145.10165	1.1
153.09151	2.8
158.08133	10.7
163.11232	1.0
170.08174	3.7
189.11264	1.7
225.04639	0.9
227.12859	3.5
261.22168	1.0
266.97644	1.0
299.95645	0.9
335.25787	7.1
514.22949	1.0
646.43182	1.7
664.44232	2.1
826.49530	81.8
827.50079	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	826.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.4
61.02929	10.2
62.37797	0.6
65.03938	1.3
65.24654	0.5
67.05507	61.5
69.03438	2.2
69.07074	5.8
69.36501	2.3
69.36924	2.2
71.04991	2.8
71.08633	15.4
73.02915	3.8
73.86150	0.4
79.05493	1.3
81.03431	1.0
81.07063	14.7
83.08626	10.3
85.02910	12.1
85.06533	2.1
85.10181	10.0
89.06023	0.8
91.03955	7.2
91.05491	3.0
93.07028	3.4
95.04972	0.5
95.08607	15.1
96.04539	0.6
97.02885	6.6
97.06556	0.6
97.10171	3.0
99.04474	0.9
99.11775	0.8
103.07590	0.9
103.88573	0.4
107.08604	1.3
109.02909	0.5
109.10160	62.4
110.10504	0.9
111.08088	2.6
111.11695	0.7
115.02763	0.4
118.77767	0.5
119.08561	5.0
121.10186	0.7
123.11710	1.7
127.03924	2.6
137.09615	3.0
145.04971	2.9
152.09952	0.5
155.10649	5.0
155.29895	0.5
163.06036	3.8
173.11739	17.7
184.07350	0.8
229.14359	100.0
230.14690	2.3
239.23766	1.5
257.24744	1.1
313.27371	77.0
314.27658	3.0
373.18484	0.6
467.37354	67.8
468.37558	3.0
493.66522	0.5
557.56854	0.6
626.82080	0.5
742.07928	0.5
826.47589	1.4
827.47900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.8
65.03934	6.7
67.05510	100.0
68.05856	1.9
69.03435	8.1
69.06720	1.7
69.07075	34.8
69.34602	14.2
71.04981	6.6
71.08627	7.6
73.02907	4.6
79.05500	64.4
81.03423	10.3
81.07065	97.3
82.07402	2.3
83.04993	12.7
83.08627	21.9
85.02910	9.5
85.06532	6.6
91.03960	2.8
91.04962	3.0
91.05489	48.6
93.07056	65.5
95.04970	12.3
95.08616	62.6
97.02901	9.7
97.06528	13.1
97.10182	16.0
99.08089	5.1
105.04530	2.9
105.06369	3.1
105.07042	41.9
107.04939	4.3
107.08604	42.8
109.02896	2.4
109.06488	6.2
109.10168	41.0
111.08072	4.6
113.09624	1.6
117.07024	16.8
118.12445	1.7
119.08587	34.6
121.06512	2.9
121.10152	25.9
123.08033	4.5
123.11716	11.9
125.09674	8.2
127.03915	4.7
129.05478	2.4
129.06990	4.1
130.07825	1.9
131.08577	17.8
133.10138	28.4
135.08020	6.4
135.11691	16.3
137.09624	3.9
137.13249	3.0
143.08522	6.4
145.06494	2.6
145.10117	18.6
147.11703	14.7
149.09625	6.4
149.13252	12.6
151.11201	4.7
155.08537	3.6
157.10120	5.2
159.11719	14.7
161.13248	10.3
163.11194	5.8
163.14793	3.8
165.12747	2.9
169.10088	3.8
171.11662	3.2
173.11810	3.7
173.13246	7.0
175.11192	3.0
175.14915	3.5
177.12718	2.3
179.14391	2.0
183.11719	1.9
184.07420	2.3
185.13245	4.3
187.14882	3.1
189.11211	3.8
195.13867	3.1
197.13229	2.7
199.14928	3.1
201.16400	1.8
203.14369	1.7
219.17339	3.1
227.12750	14.6
229.14357	14.6
229.19536	2.0
239.18068	1.9
241.19548	1.7
243.08336	2.1
243.21184	2.4
255.15918	2.1
257.19052	10.0
259.20584	3.8
261.22116	7.2
263.23761	2.5
267.15915	4.2
269.17542	21.7
275.20041	31.6
277.21561	5.8
293.21194	4.3
294.21689	1.5
317.24658	1.7
331.18823	2.3
331.22736	3.2
335.25797	36.7
336.26007	2.3
337.27390	59.3
349.23761	29.7
351.25266	7.4
369.25671	2.5
453.25079	1.6
489.35516	6.3
491.36990	4.8
507.36441	2.0
519.28809	2.3
529.38928	30.4
530.39117	1.8
531.40332	5.7
537.55927	1.7
547.39758	3.4
549.27026	2.1
571.43036	3.3
611.46680	44.9
612.46088	2.3
629.47217	7.1
827.49200	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.9
65.03938	2.9
67.05511	98.4
69.03432	10.5
69.07074	40.3
69.33668	20.6
71.04996	4.0
79.05495	53.8
80.05807	3.5
81.03408	11.2
81.07065	100.0
82.07384	2.7
83.04994	13.3
83.08609	18.5
85.02909	7.7
85.06537	3.3
91.03971	3.4
91.04959	3.7
91.05488	48.4
93.07047	58.1
94.07343	3.4
95.04971	7.6
95.08610	64.7
97.02882	4.6
97.06546	12.9
97.10177	10.3
98.10506	2.7
99.04428	2.8
99.08094	5.0
105.07028	38.3
107.04970	4.5
107.08601	32.4
109.02821	3.0
109.06522	5.4
109.10171	32.3
109.95519	2.4
111.08074	3.7
117.07014	16.0
119.08593	27.5
121.06518	4.3
121.10158	22.1
123.11703	11.6
125.09602	5.5
127.03936	4.0
129.07040	4.3
131.08539	20.5
133.10147	20.7
135.08058	3.4
135.11707	18.1
137.09639	4.4
145.10155	18.2
147.11679	11.7
149.09680	5.8
149.13266	8.8
149.78784	3.1
157.10124	3.7
159.11688	11.8
161.09628	3.1
161.13304	8.7
163.11200	4.8
171.11734	4.3
173.04448	3.4
173.11819	4.7
173.13249	5.0
175.14803	3.3
177.12726	3.2
183.11674	3.1
185.13342	3.8
195.13817	4.5
227.12833	5.9
229.14453	5.3
239.17769	3.2
255.15846	6.7
257.19012	5.2
263.23813	4.9
267.16116	2.6
269.17529	22.8
275.20087	21.1
293.21341	3.4
335.25827	6.1
336.26129	3.9
337.27368	83.9
349.23917	18.2
387.76233	3.1
491.37369	5.8
514.71259	2.7
517.38800	10.7
531.40491	57.9
571.43243	11.1
611.46533	26.2
629.47174	3.9
827.48700	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	827.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06108	0.6
61.02931	4.4
64.42262	0.6
65.88602	0.5
67.05505	7.1
69.03429	3.7
69.07068	2.9
71.61465	0.7
73.02914	2.9
79.05486	5.5
81.03422	1.3
81.07058	5.2
83.04995	0.7
83.08623	0.9
84.45655	0.5
85.02925	4.7
85.10203	0.6
90.44636	0.7
91.03978	3.0
91.05476	5.6
93.07050	5.3
95.01369	0.7
95.08578	3.7
97.02914	4.6
97.06579	1.0
101.02409	1.6
105.07020	6.7
107.04951	1.0
107.08582	3.1
109.10180	2.3
117.07041	1.7
119.08566	3.9
121.10138	1.6
123.08044	0.8
127.03974	0.9
129.05499	0.8
131.08597	1.8
133.10146	3.4
135.11736	1.4
145.10179	1.6
147.11754	1.4
149.13229	0.8
157.10201	1.0
159.11777	1.4
163.11154	0.8
173.15712	0.6
175.14809	0.7
185.04271	1.1
187.72220	0.6
229.14435	1.9
243.08414	3.5
301.08932	1.4
313.27298	1.1
315.19342	5.0
371.22034	1.2
443.18182	0.6
465.21048	1.5
468.37674	1.8
533.27179	8.7
535.28796	7.4
605.29669	1.2
827.49152	100.0
828.49390	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.8
67.05508	8.2
69.03441	3.5
69.07069	2.0
71.01349	0.9
71.05003	0.7
71.08617	0.8
73.02921	4.3
79.05483	5.9
80.65661	0.7
81.03415	1.5
81.07059	6.6
83.04998	0.9
83.08660	1.4
85.02914	7.8
91.03970	3.7
91.05515	4.9
93.07041	6.5
95.04998	1.3
95.08610	5.8
97.02895	6.2
97.10204	0.9
99.04464	1.3
101.02419	1.6
105.07028	3.4
107.08612	2.8
109.02884	1.9
109.10158	5.4
111.96322	0.6
117.07030	0.8
119.08641	2.0
121.10163	2.8
127.03931	1.5
131.08575	1.8
133.10197	0.8
145.10191	1.0
147.08078	0.6
147.11708	1.2
153.45859	0.7
157.10225	0.8
229.14487	3.0
230.14748	1.4
243.08559	1.8
313.27475	3.1
314.27869	1.9
331.18808	7.3
371.02231	0.9
467.37653	1.0
468.37851	2.7
519.29169	7.7
549.27020	2.3
635.85431	0.8
827.49194	100.0
828.49023	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.7
67.05510	7.3
69.03436	3.7
69.07066	1.4
69.89624	0.5
71.74595	0.5
71.79827	0.5
73.02925	4.0
79.05498	4.8
81.03420	1.5
81.07054	5.8
85.02909	5.7
85.06557	0.8
91.03954	2.9
91.05475	2.7
93.07045	4.3
95.04968	1.9
95.08608	4.3
97.02901	4.3
97.06548	0.6
99.04501	0.9
101.02406	1.4
105.07045	1.6
107.08599	2.6
109.02882	0.7
109.06518	1.0
109.10171	2.0
113.06012	2.3
117.07040	1.1
119.08612	1.5
121.10152	2.0
123.08078	0.7
124.19674	0.5
127.03934	2.2
131.08571	1.4
133.10153	1.3
135.08061	0.8
135.11732	1.3
145.04974	0.6
145.10094	0.7
147.11765	0.5
161.09535	0.6
161.13327	0.6
165.73071	0.5
184.07352	0.8
203.05307	0.7
210.06276	0.5
229.14276	0.8
243.08475	2.1
285.35434	0.5
314.27924	0.7
331.18811	4.9
335.25970	0.7
358.92813	0.6
387.21472	0.7
399.56290	0.6
400.26593	0.5
436.43939	0.6
519.29401	9.1
549.26752	3.7
774.73236	0.6
827.49139	100.0
828.49103	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95635	0.7
61.02926	5.3
65.03951	1.0
67.05511	14.5
68.05850	1.2
69.03425	4.3
69.07072	5.2
69.27037	6.4
70.07401	0.7
71.01379	0.6
71.04992	1.2
72.30191	0.6
73.02920	4.1
79.05495	10.2
80.05831	0.8
81.03429	2.7
81.07059	14.3
82.07410	1.7
83.04990	2.4
83.08627	2.3
85.02908	5.1
85.06557	0.7
91.03985	2.9
91.05491	7.4
93.07056	9.6
94.07375	0.8
95.04991	2.6
95.08612	9.8
96.08979	0.8
97.02906	5.6
97.06574	1.2
97.10194	1.8
98.20783	1.3
99.04486	1.1
99.49034	0.6
101.02421	2.0
105.07030	5.7
106.07372	1.0
107.04962	1.2
107.08603	7.3
108.08993	0.8
109.02914	0.8
109.10181	4.6
115.03944	0.6
117.07046	1.8
119.08597	4.4
121.10141	3.2
121.97160	0.6
123.08040	0.6
123.11738	1.1
127.03959	1.4
131.08611	2.5
132.08945	1.3
133.10130	4.0
135.08064	0.7
135.11719	2.4
143.08609	0.6
145.10185	1.5
147.11742	2.6
149.09619	1.0
149.13315	1.7
151.11217	0.8
157.10080	1.1
159.11705	1.6
160.12157	0.8
161.09599	0.6
161.13303	0.9
163.11212	0.6
163.87663	0.6
165.12793	0.7
173.13292	0.8
175.14923	0.7
177.16446	0.7
184.07417	0.8
185.04230	0.7
185.13335	0.9
217.81105	0.7
229.14374	0.7
243.08530	2.5
269.17441	1.0
275.20267	2.0
276.20544	1.6
331.18869	4.0
331.22498	0.8
335.25909	2.7
336.26291	1.4
337.27399	4.2
338.27875	2.8
349.23950	1.7
350.24042	0.9
519.29297	5.5
530.39471	1.7
549.26727	4.8
611.46283	0.8
612.47247	4.4
640.16418	0.7
809.48071	1.6
827.49182	100.0
828.49689	8.0
831.63477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00082	0.8
58.47407	0.9
61.02935	6.7
65.03958	1.1
67.05512	13.6
69.03432	5.3
69.07073	3.5
69.28079	6.7
69.28500	2.8
71.05009	1.6
73.02924	4.9
76.72127	0.9
79.05495	7.0
79.23387	1.0
79.47643	0.9
81.03423	2.6
81.07059	13.4
83.04979	2.6
83.08617	1.5
85.02920	5.7
88.44881	0.8
91.03975	2.8
91.05470	8.2
93.07052	8.9
95.04973	1.9
95.08618	9.8
97.02912	5.8
97.06532	1.4
97.10189	1.4
97.15579	0.8
98.21474	2.4
101.02399	2.8
105.07038	4.3
107.08582	4.6
108.08860	0.9
109.06535	1.7
109.10168	4.4
111.08094	0.9
117.07057	1.8
119.08617	3.0
121.10188	3.5
123.11656	1.1
127.03935	1.2
131.08588	2.7
133.10158	2.2
135.11705	2.2
145.10213	1.4
147.11690	1.6
159.11717	1.1
173.13351	1.1
184.07379	1.1
185.04333	1.4
243.08481	2.6
275.20432	1.3
313.17676	2.2
331.18823	6.1
337.27509	3.3
338.27841	2.8
350.24063	1.4
358.16309	1.0
519.29285	11.4
531.25549	1.3
531.40710	1.6
532.40991	3.3
549.26874	2.2
572.44342	1.3
612.47015	1.3
623.97778	1.1
729.41937	3.3
809.48322	11.9
827.49146	100.0
828.49506	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02635	0.4
61.02927	5.7
65.03929	0.5
67.05506	6.8
69.03427	4.2
69.07074	3.1
69.41825	2.4
71.01358	0.6
71.04990	0.7
71.08591	0.4
73.02917	4.0
79.05492	5.1
81.03418	1.8
81.07061	6.2
83.04983	0.9
83.08612	1.0
85.02906	6.3
85.20354	0.3
87.04464	0.5
91.03957	3.2
91.05476	3.3
93.07053	5.1
95.04973	1.0
95.08613	4.7
97.02895	6.3
97.10161	0.6
98.21526	0.6
99.04452	1.0
99.77586	0.3
101.02373	1.9
103.03990	0.3
105.07044	1.9
107.08598	2.7
109.02895	1.1
109.06538	0.7
109.10142	1.7
110.10494	0.4
115.03912	0.4
117.07010	0.7
119.08575	1.6
121.10136	2.0
123.11742	0.4
125.09657	0.7
127.03932	1.4
131.08585	1.1
133.10149	1.1
135.11737	0.8
136.15752	0.3
137.09641	0.3
145.05011	0.3
145.10114	1.0
147.11682	0.6
149.13231	0.5
155.21828	0.3
159.11760	0.7
161.13322	0.3
171.11752	0.4
185.04268	0.9
201.16360	0.4
209.28839	0.3
223.13280	0.7
227.12746	0.4
243.08379	2.6
261.22290	0.6
291.19675	0.9
316.23633	0.3
331.18808	2.4
335.25876	0.8
371.59534	0.4
519.29309	9.1
549.26727	3.3
827.49152	100.0
828.49487	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	828.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	1.1
61.02922	9.9
62.63938	1.1
62.80837	1.3
65.03938	1.7
67.05162	2.3
67.05508	35.5
68.05032	2.0
69.03106	1.6
69.03438	14.7
69.07068	8.3
70.06596	7.9
70.98362	2.5
71.01354	1.3
71.04993	4.1
73.02911	4.8
79.05495	29.3
80.05009	3.5
81.03423	20.9
81.07060	40.2
82.06594	2.7
83.04989	6.2
83.08624	7.7
84.04511	10.0
84.08152	1.5
85.02915	9.0
86.06075	55.3
87.04475	27.0
91.03956	5.0
91.05485	17.1
93.07055	29.9
94.06577	2.6
95.04977	7.9
95.08614	24.7
96.08141	3.1
97.02874	7.8
97.06533	6.5
97.10164	2.6
98.06065	40.3
99.04465	1.6
102.05563	1.5
104.07113	29.4
105.04536	1.2
105.07037	12.5
107.04954	2.4
107.08607	9.0
109.06504	2.5
109.10155	9.1
111.08107	2.4
112.07616	16.2
114.05547	1.7
117.07040	2.3
119.08567	7.9
121.06472	1.4
121.10144	16.0
123.08062	2.2
123.11685	1.9
124.07593	4.7
126.05514	9.3
127.03931	2.8
129.06985	3.8
131.08583	10.3
133.06404	1.1
133.10162	6.2
135.11700	7.0
136.07628	1.3
137.09662	1.1
138.12791	2.8
140.07056	4.9
142.08627	4.2
145.10103	3.2
147.11711	7.0
148.07571	4.5
149.09633	30.6
149.13234	2.5
154.08647	3.1
157.10205	2.4
158.08128	10.9
159.11710	3.1
161.13301	1.2
165.12737	3.5
166.08609	1.5
166.12277	3.0
173.13298	2.1
175.11147	6.0
177.12733	3.2
179.34976	1.0
182.15370	2.3
184.07224	1.6
184.13341	2.6
187.14632	1.3
193.12195	9.5
195.13782	1.3
206.15422	3.3
210.14851	7.2
211.13295	1.5
224.16447	3.9
234.14822	3.0
243.21074	2.5
250.18028	4.1
252.15993	14.5
260.16483	6.4
261.22107	5.0
267.15933	26.9
268.16260	1.5
268.19156	4.0
270.16931	2.0
278.17560	14.4
286.20187	1.5
296.18521	9.4
314.19678	3.0
326.19684	2.0
332.24469	1.4
335.25818	29.3
336.25916	1.3
344.20547	3.5
352.21179	2.5
370.22385	6.6
388.23447	5.9
410.10300	1.1
527.37482	11.0
545.38300	3.5
578.64252	1.2
582.81482	1.2
604.42047	5.3
622.43158	43.4
623.43427	1.3
630.43329	6.3
648.44727	100.0
649.45105	6.5
666.46100	2.5
766.46631	2.7
784.48419	5.4
810.49921	53.8
811.49518	4.0
828.53180	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12083	0.4
61.02928	6.1
61.03234	0.6
65.03939	0.5
67.05508	4.9
69.03438	3.0
69.07063	1.3
71.04993	0.5
71.10098	0.8
73.02918	3.9
73.44635	0.4
79.05495	4.2
81.03429	1.5
81.07059	5.9
81.07519	0.6
83.08627	0.6
85.02913	5.2
87.04487	0.5
91.03953	3.1
91.05479	2.4
93.07033	3.8
95.04971	0.8
95.08591	3.0
97.02888	4.6
97.06557	0.5
97.10203	0.5
99.04462	1.0
101.02381	2.1
103.03967	0.4
105.07013	1.8
107.08595	2.7
109.02937	1.0
109.10180	1.5
117.07039	0.7
119.08624	1.5
121.10151	1.7
127.03960	1.6
131.08603	1.2
133.10115	0.9
135.11737	1.3
145.10185	0.5
145.54012	0.4
147.11725	0.7
149.13297	0.5
159.11659	0.4
167.82379	0.4
174.21053	0.4
185.04272	0.6
243.08336	2.5
252.60013	0.4
301.09000	0.7
333.20255	2.1
335.25577	0.5
519.29352	8.7
520.29456	0.5
525.37225	0.5
551.28259	3.6
743.43176	0.5
768.76056	0.4
805.45416	0.5
829.50708	100.0
830.50922	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.7
65.03943	0.3
67.05503	5.5
69.03427	3.6
69.07076	1.6
70.83769	0.4
70.84100	1.0
71.04989	0.5
73.02913	3.9
79.05494	4.2
81.03429	1.9
81.07051	7.0
83.04982	0.4
83.07530	0.4
83.08621	0.8
83.28190	0.4
85.02908	5.7
86.38112	0.4
87.04462	0.7
91.03958	3.6
91.05477	3.6
93.07043	4.9
95.08617	3.7
97.02880	5.1
97.06519	0.9
99.04449	1.3
101.02375	1.8
103.03972	0.5
105.07040	2.0
107.08575	3.2
109.02911	0.7
109.06524	0.4
109.10168	1.4
115.60266	0.4
117.06992	0.7
119.08601	1.7
121.10140	2.0
127.03916	1.5
131.08569	0.8
133.10149	1.6
135.11722	1.5
141.63249	0.4
145.10107	0.8
147.11743	0.6
159.11638	0.5
176.10098	0.4
185.04185	0.4
243.08392	2.4
333.20349	3.8
335.25861	0.9
519.29327	8.7
520.29974	0.6
551.28247	3.6
731.43335	0.5
829.50690	100.0
830.50952	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	829.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75913	0.3
61.02929	4.9
67.05502	4.5
69.03426	2.8
69.07067	1.7
69.86441	0.8
69.86832	0.6
71.04993	0.7
71.39727	0.3
73.02917	4.1
78.43742	0.3
79.05492	6.1
81.03424	1.8
81.07057	4.5
83.04990	0.7
83.08627	0.8
85.02912	4.8
87.04478	0.3
91.03960	2.4
91.05487	5.7
93.07051	6.7
95.04996	0.8
95.08611	3.1
97.02898	4.0
97.06544	0.4
97.10210	0.4
99.04482	1.2
101.02387	1.5
103.03956	0.4
105.07038	4.4
107.08595	2.4
108.44756	0.3
109.02932	0.7
109.10168	1.4
117.07050	1.4
119.08582	3.7
121.10162	1.9
127.03928	1.2
127.10345	0.3
129.05493	0.7
129.07053	0.7
131.08582	1.7
133.10153	2.7
135.11699	1.6
143.08614	0.9
145.10164	1.0
147.11702	2.2
149.13263	0.7
159.11769	0.7
161.13226	0.7
171.11797	0.9
173.13280	0.5
184.07448	0.5
185.04213	1.8
185.13286	0.5
201.03835	0.6
203.05406	0.4
241.06906	0.6
243.08423	4.0
259.20618	0.7
301.08902	2.1
313.09128	0.6
315.10638	1.2
317.20932	1.2
341.11932	0.5
357.15137	0.4
371.16904	0.4
373.23898	0.4
383.16867	0.4
385.18405	0.6
397.17999	0.5
427.71927	0.4
429.17587	0.6
465.21021	2.4
525.23370	1.6
535.20685	0.8
535.28809	14.9
536.29236	0.6
607.31219	1.4
649.35577	0.5
670.95374	0.4
731.42615	0.3
759.43347	0.7
829.50732	100.0
830.51141	7.2
838.58490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.6338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34090	4.3
65.03930	7.3
67.05511	88.3
67.15514	3.9
69.03418	6.6
69.07075	44.0
70.73230	4.1
71.04983	13.5
71.60223	6.7
79.05499	72.9
81.03399	12.2
81.07061	100.0
83.04990	9.6
83.08611	21.6
86.06072	11.4
87.04480	8.6
91.05491	60.1
93.07044	82.2
95.04967	10.9
95.08612	99.4
97.02876	7.0
97.06570	6.0
97.10154	13.1
98.06049	8.0
105.07034	51.2
107.08602	57.2
109.06493	7.6
109.10159	31.3
111.08116	5.8
115.05451	8.1
117.07014	30.1
119.08589	53.7
121.10157	39.8
123.08060	5.9
123.11719	9.6
125.09661	5.7
128.06262	4.5
129.06978	25.2
131.08597	45.2
133.10130	35.0
135.08070	4.6
135.11703	32.0
137.13203	5.4
141.07005	10.5
142.07709	5.0
143.08582	35.5
145.10121	48.0
147.11678	23.0
149.09598	8.2
149.13284	18.2
153.15610	4.2
155.08543	14.4
157.10161	26.4
159.11740	27.8
161.13260	18.5
167.08575	9.0
169.10136	22.8
171.11703	22.5
173.13254	23.9
175.14790	8.2
181.10114	13.7
183.11687	19.3
185.13258	19.5
187.14799	14.1
193.10233	6.2
193.12216	5.2
195.11707	16.4
197.13269	17.2
199.14784	11.7
201.16438	7.0
207.11685	13.8
209.13249	9.3
211.14835	8.0
213.16443	5.6
219.11725	6.4
221.13321	4.8
223.14905	10.1
230.15367	18.3
233.13403	5.6
235.17050	5.1
239.17845	5.2
249.18704	5.6
252.15840	4.8
267.57602	4.2
277.21826	24.4
289.21783	4.4
291.20541	4.4
303.23282	5.5
317.24496	5.4
331.26788	4.6
334.20114	4.7
345.27997	6.2
357.27774	7.6
359.29614	6.0
369.27884	6.4
371.29105	8.4
383.29260	6.2
395.29330	7.4
445.33575	4.7
459.35062	5.1
471.34586	5.9
546.39349	4.7
553.42432	10.7
649.41119	5.0
650.46112	15.6
829.50555	7.5
829.63544	90.1
830.49860	33.7
830.63947	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	831.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.0
67.05502	0.2
68.99776	0.6
69.03429	1.2
70.06586	0.4
71.39967	0.3
79.05470	0.5
81.03038	0.2
81.03422	2.6
81.07050	0.6
83.04978	0.4
84.03658	0.2
84.08132	0.3
85.02901	1.7
87.00827	0.5
87.23568	0.2
91.05485	22.5
92.05795	0.4
93.07018	0.5
95.04990	0.3
95.08596	0.5
97.02891	1.6
99.04446	0.6
105.07028	0.6
107.04964	0.3
107.08588	0.6
109.02881	4.0
109.10171	0.3
110.64808	0.2
111.04432	0.5
115.05515	0.3
117.03392	0.3
117.06939	0.2
119.04904	0.5
119.08595	0.3
121.02827	0.3
121.10133	0.4
123.04404	0.2
125.02308	0.3
127.03924	3.2
129.01862	0.3
133.10152	0.4
133.39732	0.2
134.01878	0.2
135.04399	0.3
135.11711	0.3
137.05949	0.5
141.01746	0.2
145.02881	0.2
145.04890	0.4
147.02971	0.3
147.04366	0.8
151.03853	0.4
153.01819	1.1
154.02544	0.3
161.05989	0.4
163.03909	0.4
165.05438	0.2
167.07072	0.5
171.02858	0.5
175.03874	0.3
177.05463	0.6
178.02602	0.5
179.07031	0.6
181.04907	0.8
181.78204	0.2
186.24945	0.2
193.99684	0.2
195.02840	0.3
205.04944	0.4
207.06508	0.5
213.03888	1.0
217.04918	0.3
231.04988	0.7
241.04958	0.2
242.05701	1.6
258.05225	1.3
263.09183	0.3
265.19711	0.2
270.05222	7.6
273.03973	0.6
284.07428	0.2
286.04767	1.1
287.05505	3.3
298.04596	0.3
299.05460	0.7
301.03470	2.2
302.04233	2.5
313.03265	0.6
315.04990	31.0
316.05704	4.2
331.08121	100.0
332.08517	3.3
332.12369	0.3
339.07211	0.3
343.07941	1.3
373.09195	2.2
393.09714	0.3
397.09296	0.6
421.13010	6.7
422.13025	0.5
439.10117	1.2
493.13177	1.3
522.31689	0.3
561.12286	1.2
579.13611	0.4
621.14337	0.4
651.12964	0.7
669.14410	1.0
687.15271	1.7
705.16504	2.1
723.17682	2.9
798.94513	0.2
822.30981	0.3
831.32715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.8
67.05508	6.1
69.03439	4.6
69.07067	1.3
69.47642	1.5
69.48045	3.8
71.01347	0.7
71.08627	1.6
73.02917	4.9
79.05472	1.2
81.03410	2.3
81.07068	3.0
82.86095	0.6
83.08622	1.1
84.45420	0.6
85.02914	7.0
85.10166	0.9
91.03962	5.2
93.07029	1.0
95.08620	2.4
97.02892	8.6
98.20698	1.3
99.04478	0.9
101.02396	3.2
109.02929	0.8
109.10167	6.1
115.03915	0.9
118.80498	0.7
119.08547	0.9
127.03919	2.5
145.04962	0.8
155.10701	0.7
164.28955	0.6
173.11757	2.6
185.04248	1.8
203.05299	1.0
208.16765	0.6
229.14331	0.9
243.08430	1.8
251.12610	0.7
259.07895	0.8
347.09406	3.6
405.13712	6.1
413.17908	11.5
497.30948	6.4
537.30310	0.9
575.23260	11.0
659.36041	5.8
669.42010	2.6
831.47083	100.0
832.47589	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	831.523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.9
67.05515	6.6
69.03436	3.8
69.07066	3.1
69.75506	1.0
70.32500	0.9
70.84740	2.2
70.85072	1.2
71.04944	1.1
73.02921	5.4
79.05495	4.1
81.03432	1.7
81.07063	6.3
83.08636	1.2
85.02914	6.4
91.03972	3.2
91.05499	3.4
93.07059	3.6
95.05011	1.0
95.08604	6.1
97.02881	5.4
97.10196	1.2
97.70055	1.0
99.04488	1.4
101.02419	1.9
105.07037	2.6
107.08633	1.6
109.10171	3.7
109.98749	1.2
119.08617	2.1
121.10147	1.4
123.11787	1.0
127.03940	1.6
131.08635	1.2
135.11725	1.5
151.92973	1.2
159.11739	1.2
185.04193	1.8
192.82341	1.2
243.08537	3.0
294.95123	1.1
324.82526	1.4
519.29279	2.4
521.31024	3.6
551.28473	3.1
553.29840	1.3
831.52301	100.0
832.52527	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06336	2.0
58.06599	23.1
59.06119	1.8
61.02923	6.3
63.63991	1.9
65.03933	2.9
67.05219	2.2
67.05512	25.4
69.07066	7.9
70.06581	5.6
71.60796	1.7
79.05502	25.0
80.04993	3.3
81.05744	1.8
81.07064	22.9
82.06583	5.2
84.04515	3.9
84.08139	5.1
85.02898	4.3
90.44039	1.7
91.03976	1.9
91.05479	18.4
93.07065	19.9
94.06572	11.5
95.04965	3.8
95.07333	1.8
95.08601	14.4
96.08125	4.7
97.02921	3.7
97.10191	2.3
105.07019	11.2
106.06567	2.4
107.07304	2.6
107.08622	12.5
108.08108	2.4
109.06476	2.0
109.10135	5.3
110.09681	4.5
112.07621	3.0
117.07047	3.6
119.08556	6.7
120.08089	2.1
121.10148	6.6
122.09702	2.6
124.11224	5.1
127.56992	2.1
133.10118	4.6
134.09663	1.8
136.11227	3.3
139.11775	1.8
143.08533	2.7
145.10114	4.1
147.11694	4.6
153.29729	1.8
157.10205	2.2
159.11667	2.9
164.14326	3.6
170.41663	1.7
173.13269	2.1
199.72189	1.7
288.54868	2.1
318.24307	5.1
335.25873	8.8
342.12082	2.1
392.27988	6.1
471.65021	2.1
532.39697	2.7
572.42511	2.0
612.46429	2.7
635.45361	2.2
652.49017	7.0
670.50464	100.0
671.50128	4.6
832.55487	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	835.23
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.4
67.05505	0.5
69.03438	0.9
69.70202	0.5
69.70630	0.4
70.06599	0.8
74.06132	0.1
79.05505	0.4
81.03428	1.9
82.04185	0.5
83.27148	0.2
85.02917	1.5
86.09703	0.3
91.05463	0.4
93.03385	0.4
95.04961	0.5
95.96276	0.1
97.02895	0.5
97.06532	0.3
98.21516	0.2
105.07028	0.2
108.02092	0.3
109.02881	0.7
110.03660	0.6
111.04456	0.4
117.36250	0.2
119.04898	0.2
121.02883	0.3
125.05959	0.5
127.03933	0.5
135.68408	0.2
136.56270	0.1
137.02324	0.2
137.06015	0.3
138.03127	0.5
140.04706	1.1
142.02632	0.6
145.02913	0.2
147.04424	0.4
149.05920	0.2
151.04008	0.3
153.01840	0.6
153.05447	0.3
154.28038	0.2
155.07013	0.6
163.03923	0.2
167.07060	0.3
171.06593	1.1
175.03940	0.3
177.05406	0.4
178.02557	0.5
179.07048	0.5
181.04965	43.0
182.05331	0.6
199.06024	1.6
199.63519	0.2
207.06503	0.7
213.91153	0.2
222.75726	0.2
242.05733	1.1
258.05206	1.0
270.05234	7.6
273.04034	0.8
286.04721	0.8
287.05511	3.2
297.49673	0.2
298.04605	0.2
299.05612	0.8
301.03391	2.1
302.04202	2.8
313.03406	0.6
315.04996	29.2
316.05701	3.8
317.05963	0.2
325.09222	3.2
327.13757	0.2
331.08127	100.0
332.08447	2.9
343.10190	1.9
373.09125	0.3
439.10260	0.2
493.13458	7.6
494.13901	0.2
527.15491	0.6
645.56097	0.2
805.14343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11428	0.5
63.02379	0.4
65.03935	1.7
67.05504	0.7
69.03416	1.4
70.06580	1.3
70.80150	1.2
71.42777	0.4
78.90090	0.5
79.05507	1.0
81.03416	2.2
81.07070	0.9
85.02916	4.1
86.09705	0.8
91.05488	15.9
92.85938	0.4
93.07040	1.0
95.04945	0.7
95.08611	1.0
97.02896	1.8
98.16585	0.5
98.97619	0.5
99.04523	0.7
102.04696	0.5
102.20942	0.4
102.56609	0.4
103.05466	2.0
105.07022	1.9
107.04947	0.9
107.08578	0.8
109.02863	2.3
109.06539	0.7
109.10178	0.8
112.68005	0.4
115.05451	1.1
117.03439	0.8
119.04948	28.9
119.08613	1.1
120.05240	0.6
121.02824	0.9
121.06447	0.6
121.10066	0.5
126.29378	0.5
126.63760	0.4
127.03934	1.4
129.10233	0.5
130.04158	1.1
130.12576	0.4
131.04924	2.1
133.06519	0.8
133.10136	0.7
137.05984	2.3
142.07352	0.4
145.02782	0.6
145.05051	0.6
147.04417	91.4
147.11737	0.6
148.04788	0.9
149.05960	1.3
151.03949	1.2
151.07529	1.6
153.01831	12.0
155.08595	0.6
161.05983	2.3
162.06749	2.1
163.04004	0.6
163.11235	0.6
165.05492	1.8
165.09160	0.6
166.96625	0.5
167.07054	1.6
175.03929	1.0
177.05510	1.7
178.02583	0.9
179.07065	9.0
181.04970	1.2
181.08598	0.6
184.07565	0.5
191.07045	0.5
207.06505	0.9
213.05461	3.8
219.06155	0.6
227.08263	0.7
241.04951	8.1
242.05669	3.8
255.06573	0.5
258.05234	3.8
269.04477	2.7
270.05228	12.7
273.04156	2.3
273.07571	1.9
283.05875	0.7
286.04807	5.4
287.05545	5.6
298.04684	0.9
299.05521	1.5
301.03394	3.8
301.07104	2.8
302.04233	3.8
313.03381	1.4
313.06857	0.6
314.04538	1.0
314.07874	2.3
315.04996	55.5
316.05704	7.0
325.10669	0.9
327.08514	2.9
329.06573	31.9
330.07013	1.0
331.08130	100.0
332.08636	2.4
340.09125	0.5
343.11734	1.8
459.10794	32.1
460.10883	1.3
463.13675	1.2
491.13385	20.3
492.13675	0.9
673.08276	0.7
673.19135	5.4
835.30530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	0.5
65.03936	1.8
67.05494	0.9
68.99791	0.9
69.03435	2.4
69.03750	0.4
70.06589	0.9
71.60883	0.4
73.02921	0.5
79.05485	1.3
81.03418	1.9
81.07058	1.1
83.04971	0.4
85.02912	3.4
86.09735	0.5
91.05486	16.8
93.07050	0.5
95.04955	0.8
95.08593	1.0
97.02893	2.0
97.56290	0.4
97.77969	0.5
99.04518	0.6
102.04685	1.2
103.05467	3.0
105.07046	1.6
107.04977	0.7
107.08597	0.9
109.02879	0.9
109.10170	0.4
115.05434	1.0
119.04949	30.9
119.08575	0.7
121.02876	0.7
121.06548	0.7
127.03921	1.3
130.04161	1.5
131.04922	3.3
133.06493	0.9
137.05986	3.0
145.02890	0.9
147.04414	98.1
148.04790	1.2
149.05981	1.5
150.03163	0.4
151.03906	1.5
151.07568	1.5
153.01837	18.4
157.06560	0.5
161.06006	3.1
162.06763	3.4
163.07501	0.6
164.04665	0.4
164.76370	0.4
165.05453	1.0
165.09167	0.5
167.07074	1.1
173.94710	0.4
175.03868	0.6
177.05486	1.4
178.02710	1.2
179.07031	8.2
181.05014	1.0
191.06934	0.5
201.05486	0.5
202.06189	0.7
205.08832	0.5
207.06570	1.0
213.05499	5.1
229.04958	0.5
230.05740	1.3
241.04967	13.0
242.05701	3.4
243.06523	0.6
253.04977	0.4
255.02641	0.4
255.06592	1.0
258.05252	6.0
259.06039	0.4
269.04504	3.3
270.05261	13.1
271.05872	1.1
273.03992	1.8
273.07620	4.0
280.38217	0.4
283.06012	0.7
284.06799	0.6
285.03912	0.8
286.04718	6.4
286.08124	0.6
287.05551	6.5
298.04904	1.0
299.05524	2.4
301.03442	3.7
301.07080	3.7
302.04230	5.4
311.05374	0.9
313.03433	1.4
313.06851	0.5
314.04263	1.3
314.07904	3.2
315.04999	54.1
316.05682	6.0
325.10620	0.9
327.08551	5.1
329.06580	50.1
330.07144	1.7
331.08130	100.0
332.08496	2.3
343.11795	1.6
459.10773	47.6
460.11310	1.8
463.14029	1.5
491.13409	26.6
492.13562	0.6
527.15582	0.6
641.91498	0.4
673.19196	6.6
835.39063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.5
64.40638	0.4
65.03941	1.9
67.05489	1.4
69.03438	1.3
69.07061	0.6
69.41808	3.8
70.06582	0.9
72.19262	0.5
79.05489	1.1
81.03419	1.5
81.07075	0.6
82.03770	0.4
84.08147	0.6
85.02898	1.2
85.20354	0.5
86.09731	0.6
91.05486	17.3
93.07036	1.1
93.60223	0.4
95.04955	0.9
95.08613	1.3
97.02877	0.8
97.06517	0.5
98.20776	0.9
103.05460	1.3
105.07054	1.1
107.04961	0.6
107.08614	1.1
109.02887	1.8
109.06471	0.7
109.10159	0.7
116.14718	0.4
117.07051	0.7
119.04951	31.8
119.08595	0.6
119.30807	0.4
121.02876	0.8
123.04427	0.8
123.08160	0.4
127.03917	1.5
131.04921	1.5
131.08691	0.4
133.06496	0.8
133.10141	0.6
137.05983	3.1
145.02901	0.5
145.04913	0.5
147.04417	100.0
148.04787	1.1
149.06009	0.8
151.03931	1.1
151.07571	1.9
153.01831	9.3
153.05568	0.5
160.07600	0.7
161.06013	1.6
162.06776	1.4
163.07637	0.9
164.04674	0.6
165.05489	1.9
167.07066	1.5
177.05476	1.5
178.02684	0.6
179.07057	9.4
181.04973	1.1
207.06540	0.9
209.08151	0.6
213.05476	2.4
213.07413	0.4
241.04980	6.7
242.05702	3.7
258.05231	4.2
269.04556	1.9
270.05240	12.4
273.04022	2.0
273.07632	1.5
285.04105	1.0
286.04803	4.6
287.05496	6.6
298.04855	0.6
299.05463	2.5
301.03439	3.6
301.07028	2.5
302.04233	4.1
313.03452	1.8
314.04440	0.8
314.07990	1.3
315.05002	49.8
316.05692	6.8
325.10794	0.7
327.08627	3.3
329.06573	35.5
330.07086	1.0
331.08133	98.9
332.08405	2.5
343.11832	1.6
362.17554	0.5
459.04306	1.0
459.10767	19.4
463.13806	0.8
491.13327	25.0
492.13425	0.8
493.13000	0.6
601.12836	0.5
621.15613	2.7
655.17731	0.6
673.19238	8.3
783.24573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98207	0.1
67.63105	0.1
69.03429	0.1
70.06573	0.1
70.78520	0.1
71.04992	0.5
71.16365	0.2
85.02904	1.3
86.22366	0.1
86.88865	0.1
88.59561	0.1
91.05457	0.1
97.02869	0.2
102.83764	0.1
107.04961	0.1
108.02094	0.1
109.02849	0.1
115.63406	0.1
119.04906	0.2
129.05446	0.2
137.02322	0.1
137.05963	0.1
147.04393	0.2
147.06419	0.1
148.53386	0.1
151.03854	0.2
153.01843	1.0
154.02579	0.1
178.02646	0.4
179.07040	0.4
181.04985	0.1
181.65128	0.1
190.94807	0.1
205.04979	0.2
213.05469	0.2
241.04889	0.2
242.05782	1.7
253.04919	0.1
258.05219	1.6
269.04483	0.2
270.05240	9.3
271.05780	0.2
273.03983	1.2
285.03934	0.2
286.04715	1.5
287.05499	3.9
288.06012	0.1
298.04807	0.2
299.05542	0.6
301.03445	2.3
302.04218	2.7
313.03421	0.9
315.04993	36.7
316.05710	5.3
316.09531	0.1
317.06064	0.1
329.06516	1.0
331.08118	100.0
332.08493	2.6
332.12424	0.1
355.08078	0.2
373.09528	0.2
391.63757	0.1
487.81552	0.1
491.12051	0.3
493.13782	0.1
509.14392	0.2
527.15515	20.0
528.15717	1.1
571.95801	0.1
637.17334	0.1
689.20520	0.3
835.25983	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	835.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87149	0.1
68.99840	0.1
69.03436	0.1
70.31604	0.3
71.04997	0.6
73.02897	0.1
75.04418	0.1
83.04936	0.2
85.02909	1.3
91.05435	0.1
108.02053	0.1
110.38077	0.1
119.04926	0.3
121.02811	0.1
129.05415	0.2
136.01535	0.1
137.02348	0.1
137.05966	0.3
147.04385	0.4
150.03162	0.1
151.03911	0.1
153.01831	1.1
154.02600	0.2
157.69176	0.1
157.76132	0.1
163.03906	0.1
167.07008	0.1
171.02898	0.1
178.02603	0.4
179.03325	0.1
179.07063	0.5
181.05008	0.2
205.04814	0.1
207.06583	0.2
213.05437	0.2
214.06291	0.1
227.84531	0.1
241.04945	0.3
242.05717	2.0
257.04617	0.1
258.05249	1.9
269.04367	0.3
270.05240	10.7
271.05716	0.4
273.03928	1.2
274.04367	0.1
285.04083	0.3
286.04749	1.6
287.05505	4.4
288.06308	0.2
298.04630	0.3
299.05508	0.9
300.06149	0.2
301.03430	2.6
302.04199	2.8
311.05624	0.2
313.03458	1.0
315.04996	41.0
316.05704	5.7
317.05856	0.1
329.06519	1.2
330.07242	0.1
331.08118	100.0
332.08469	2.5
355.08142	0.1
373.09204	0.1
491.12140	0.2
509.14987	0.1
527.15509	37.7
528.15924	1.5
569.95746	0.1
689.20465	0.3
770.65289	0.1
835.26794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.5
65.03941	4.8
67.05173	3.2
67.05509	56.7
69.03411	8.9
69.07079	28.6
71.04985	4.3
79.05054	2.6
79.05500	51.0
81.03416	9.1
81.07063	46.8
83.04968	7.2
83.08625	11.9
85.06510	2.4
87.04448	7.6
91.04958	3.9
91.05484	54.0
93.07054	47.8
95.04968	16.6
95.08624	29.2
97.02892	9.4
97.06528	7.7
97.10178	19.6
105.06371	3.4
105.07037	54.3
107.04964	9.2
107.08604	33.3
109.02821	2.0
109.06535	6.2
109.10158	17.2
111.08051	4.6
117.07039	20.8
119.04969	3.7
119.08596	42.4
121.06534	4.4
121.10141	16.7
123.08070	4.2
123.11711	2.5
125.09625	18.0
128.06203	3.2
129.06958	11.1
130.07756	3.3
131.08569	25.7
133.06512	4.5
133.10144	23.4
135.08072	5.5
135.11714	11.8
136.06201	20.1
137.09654	5.1
141.07025	5.8
142.07715	3.0
143.08577	13.7
145.10158	21.3
147.08058	8.6
147.11678	21.7
149.09584	5.2
149.13283	6.8
153.09135	3.1
155.08531	6.3
157.10115	12.9
159.11711	15.6
161.09596	2.7
161.13307	15.6
163.14861	3.0
167.08498	3.3
169.10118	6.7
171.10271	2.6
171.11691	7.5
173.11713	2.3
173.13231	8.0
175.11197	3.0
175.14801	8.7
183.11664	6.1
185.13239	9.0
187.14818	4.1
189.11212	6.4
189.12811	2.8
193.10185	2.6
195.11703	3.6
197.13231	4.5
199.14856	3.9
223.13264	19.0
227.12741	9.9
241.19508	13.3
249.14848	4.2
257.18927	2.6
259.20590	33.7
260.56918	2.3
273.18484	8.0
275.19986	5.8
291.19547	100.0
315.23184	7.5
331.22556	2.5
333.24289	36.5
335.25882	5.4
342.24341	4.8
349.23755	4.3
365.23187	31.9
379.29926	4.5
381.23160	3.8
465.93512	2.2
525.35358	6.3
543.36542	10.2
605.41473	6.0
623.43170	42.5
641.43549	11.6
838.53589	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.1
65.03926	4.6
67.05507	100.0
69.03420	9.6
69.07076	40.7
69.29887	25.3
69.36909	2.2
71.04993	6.4
73.02921	3.0
79.05049	4.4
79.05497	84.1
81.03410	10.4
81.07061	95.8
82.07370	2.4
83.00193	2.8
83.04986	10.6
83.08636	21.8
85.02908	8.9
85.06531	7.9
86.59167	2.3
91.03914	3.8
91.05486	85.8
93.07050	85.8
95.04961	10.6
95.08037	4.2
95.08611	60.0
97.02882	7.2
97.06533	15.4
97.10166	10.9
98.97589	3.3
99.08080	3.9
103.05484	4.3
105.04505	3.9
105.07033	87.5
107.04945	10.4
107.08598	51.5
109.06523	9.3
109.10161	31.9
111.08084	5.1
115.05437	5.2
117.07033	37.4
119.06165	3.5
119.08588	67.1
121.06514	4.5
121.10146	29.6
123.08082	7.7
123.11703	8.8
125.09622	7.8
128.06233	6.8
129.07028	25.9
131.08566	46.8
133.10135	52.3
134.10431	3.0
135.08058	6.2
135.11676	21.7
137.09602	5.6
141.07028	8.0
142.07744	4.4
143.08549	23.7
144.09383	3.3
145.10153	36.4
147.08014	3.8
147.11705	33.0
149.09616	9.5
149.13295	12.3
151.11237	2.9
155.08546	11.4
157.10104	24.2
159.11690	29.1
161.09665	6.7
161.13287	26.2
163.11246	5.1
163.14865	4.4
165.12823	3.0
167.08611	3.7
169.10085	13.9
170.10800	3.2
171.11707	22.9
173.04456	3.8
173.11960	3.6
173.13239	15.0
175.11134	2.8
175.14835	10.0
177.12737	6.8
181.10178	6.0
183.11703	15.1
184.07391	3.7
185.13306	18.7
187.14830	8.4
193.10086	3.1
195.11713	8.9
195.13664	4.3
197.13283	10.8
199.14818	8.6
201.16370	3.5
207.11790	2.7
209.13206	6.7
211.14896	6.3
213.12895	3.3
213.16393	7.0
223.14806	6.3
227.12845	4.8
231.11534	2.8
231.20996	4.5
237.16391	4.0
239.18002	3.8
241.19527	18.8
255.15955	10.6
257.19183	6.5
259.20566	40.1
261.22028	3.0
269.17410	12.7
273.18460	4.8
275.20120	20.5
291.19629	3.3
315.23163	7.3
327.23120	3.4
333.24295	40.9
334.24359	3.0
335.25833	5.9
349.23721	10.2
421.31058	3.5
424.22241	2.8
435.32272	7.8
489.35974	4.9
513.35962	26.9
515.38177	3.5
527.37317	35.4
528.37463	3.8
542.10095	3.0
545.38336	4.3
551.41412	3.8
607.43597	31.3
625.44586	39.2
643.45673	3.1
840.56989	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	842.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05022	2.7
60.52177	2.3
61.02925	6.8
65.03927	5.2
67.05511	100.0
69.03420	7.6
69.07073	22.0
71.04987	4.7
71.08628	9.3
71.19533	2.7
71.60074	3.9
73.02905	4.2
74.07866	2.7
78.08022	2.4
79.05500	55.7
81.03422	6.4
81.07060	71.5
83.04977	8.9
83.08621	28.8
85.02908	10.0
85.06562	5.9
85.07682	3.5
85.10186	4.8
91.03950	5.1
91.05493	33.2
93.07048	49.6
95.04972	8.2
95.08614	53.8
97.02879	5.9
97.06551	7.4
97.10188	42.4
105.07033	24.3
106.37057	2.5
107.04973	4.8
107.08604	41.0
109.06522	5.1
109.10167	47.4
111.08128	2.5
117.07049	12.0
119.08588	22.3
120.47820	2.7
121.10161	17.4
123.08086	2.7
123.11704	7.5
125.09641	44.7
127.03933	3.8
129.07036	4.1
131.08600	17.1
133.10130	15.3
133.51779	2.4
134.08417	2.4
135.08072	8.8
135.11687	12.0
143.08575	2.8
145.10085	14.5
147.11700	7.1
148.23267	2.4
149.09636	6.8
149.13277	9.3
151.11183	4.7
155.10699	2.8
157.10130	4.1
159.11751	14.1
161.13274	8.6
163.06108	4.0
163.11223	5.0
165.73900	2.4
171.10207	4.2
171.11653	4.9
173.11864	5.8
173.13269	5.7
184.07355	7.3
189.11250	26.6
214.74254	2.7
227.12793	73.6
229.14360	32.4
239.23659	2.8
243.21194	3.5
245.13857	74.3
261.22159	8.1
269.17563	8.6
275.20032	15.4
277.21835	4.2
293.21039	3.0
313.27393	59.3
317.24725	2.8
333.24487	4.0
335.25848	71.4
337.27298	6.3
349.23730	11.7
367.24902	8.4
483.36844	42.4
489.35718	28.3
507.37234	3.0
527.37476	4.7
529.19617	2.7
529.38873	15.7
609.45270	25.8
627.46393	15.3
843.47845	7.3
874.47351	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	842.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.7
61.71326	1.9
62.82336	2.1
63.04267	1.9
63.95193	1.8
65.03940	3.4
67.05508	100.0
69.03421	4.5
69.06734	2.5
69.07072	22.0
69.07834	2.3
71.04990	5.6
79.05501	50.2
81.03412	5.5
81.07060	85.3
83.04989	3.1
83.08626	16.1
85.02895	4.0
85.06532	3.3
85.07674	2.7
91.05486	42.4
93.07052	62.6
94.56717	2.1
95.04961	6.7
95.08611	58.2
97.02901	4.7
97.06532	6.9
97.10179	10.5
99.08111	2.5
105.07030	33.9
107.04964	6.3
107.08598	42.1
109.06518	5.4
109.10161	48.3
110.33307	2.4
111.04446	2.2
111.08098	6.3
117.07034	11.5
119.08575	24.4
121.06506	2.8
121.10162	21.3
123.08057	3.7
123.11721	8.4
125.00018	3.8
125.09637	10.1
127.53671	2.1
129.08481	2.1
131.08592	14.3
131.23079	2.4
133.06432	2.5
133.10127	23.7
135.11688	17.5
136.91692	2.5
137.09642	3.3
137.13313	2.9
143.08626	4.1
145.10167	17.3
147.11693	16.1
149.09641	5.4
149.13226	12.2
157.10150	5.1
159.11688	11.2
161.13260	8.1
163.11140	2.2
163.14853	2.8
165.12823	2.5
171.11694	3.1
173.11760	8.5
173.13287	6.1
175.14880	2.7
184.07381	6.7
185.13345	2.7
199.14940	3.1
227.12828	9.0
229.14372	44.6
239.18240	3.1
245.13821	3.5
257.19037	5.5
259.20612	3.0
261.22144	11.7
269.17484	15.2
275.20065	20.4
293.21240	2.8
313.92819	2.5
317.24976	4.7
335.25824	79.1
337.27426	5.4
349.23755	18.5
367.24670	14.3
489.35992	22.0
491.37061	3.6
507.37048	2.4
529.38849	34.5
569.41901	10.0
590.99585	2.3
609.45148	23.2
627.45996	16.9
843.48578	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.5
67.05506	5.9
69.03430	3.4
69.07063	2.3
71.01376	0.6
71.04983	0.6
73.02917	4.2
73.54831	0.5
79.05489	5.5
81.03418	2.5
81.07062	6.4
83.08639	1.6
85.02903	3.8
87.04482	0.6
91.03965	3.9
91.05489	5.9
93.07044	6.6
95.04987	1.8
95.08621	4.5
97.02901	4.8
97.06538	0.9
98.20723	1.2
99.04440	1.5
101.02382	1.8
105.07047	4.9
107.04993	0.5
107.07975	0.6
107.08580	3.7
109.10188	1.7
117.07031	1.6
119.08598	3.0
121.10144	1.9
127.03896	1.6
129.05476	1.0
129.07059	0.9
131.08595	1.8
133.10112	3.5
135.11740	1.3
138.41463	0.6
143.08577	0.6
145.10194	1.1
147.11732	1.5
151.11253	0.7
164.00037	0.5
164.16499	0.7
175.11278	0.8
181.58606	0.7
185.04309	1.5
193.12292	1.1
201.25784	0.6
203.05333	0.8
243.08485	3.8
301.08972	2.7
313.18201	0.6
315.10452	1.9
331.18820	2.9
335.25818	0.7
336.25629	0.5
451.19147	1.2
506.24738	0.6
519.29694	0.8
531.26160	1.9
535.28979	7.5
549.26550	2.8
630.53412	0.6
635.36102	0.7
745.40900	1.3
825.47400	10.3
826.48279	1.1
843.48584	100.0
844.48688	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	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26759	0.4
61.02930	4.6
67.05517	5.8
69.03431	3.0
69.07076	3.4
70.42992	0.9
70.43369	1.2
71.01355	0.7
73.02924	2.9
75.33031	0.5
79.05495	5.8
81.03426	2.2
81.07064	6.8
82.06497	0.5
83.04964	0.8
83.08622	1.0
85.02892	3.9
85.79268	0.4
86.09715	0.5
91.03971	1.5
91.05487	5.3
93.07038	4.2
95.04989	1.0
95.08625	2.8
97.02902	3.2
97.06524	1.2
97.10197	0.6
99.04466	1.0
101.02395	2.3
105.07015	4.2
107.04938	1.3
107.08588	3.1
109.02921	0.6
109.06577	0.7
109.10178	0.8
115.02043	0.5
117.07084	1.1
119.08583	3.0
121.10194	1.3
125.00048	0.7
127.03867	1.2
131.08592	1.3
133.10162	2.3
135.11742	0.6
145.10147	1.1
147.11723	1.2
149.09705	0.8
159.11769	0.9
175.11401	0.5
184.07384	1.7
185.04277	1.4
210.25188	0.6
223.13304	0.9
243.08421	4.7
275.20105	0.8
291.19638	1.2
301.09106	1.2
315.19330	1.1
331.18973	0.8
333.20444	0.8
335.25409	0.6
339.94058	0.5
371.21942	1.0
419.44046	0.5
431.45694	0.5
439.19040	0.6
453.21185	0.6
533.27118	4.7
535.28735	4.5
549.26898	4.0
551.28687	2.5
621.29224	0.7
719.36932	0.6
843.48639	100.0
844.49274	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.6
63.46677	0.6
65.03945	0.7
65.44260	0.7
67.05159	1.1
67.05508	14.7
68.05841	1.7
69.03426	3.4
69.07062	6.1
71.04988	1.1
73.02921	3.0
76.77137	0.6
79.05489	10.3
80.05836	1.4
80.16721	0.6
81.03435	2.3
81.07063	13.0
82.07382	1.8
83.04977	1.1
83.08622	2.7
85.02909	3.5
85.06547	0.7
91.03962	2.2
91.05485	7.3
92.05813	0.8
93.07056	9.7
94.07389	0.8
95.04987	2.2
95.08607	7.2
96.08942	0.6
97.02876	4.3
97.06523	0.9
97.10201	1.9
98.10560	0.6
101.02401	1.2
105.07040	6.4
107.04946	1.1
107.08595	4.7
108.08947	0.8
109.06554	1.4
109.10159	5.8
110.10537	0.8
113.00672	0.7
113.18188	0.5
117.07046	1.6
119.08594	4.3
120.08962	0.7
121.06541	0.6
121.10152	3.0
122.10587	0.8
123.11743	1.3
125.09630	2.4
127.03918	1.4
129.07053	0.6
131.08601	3.5
133.10132	3.7
135.11710	2.7
143.08559	1.0
145.04933	0.7
145.10146	2.0
147.11723	2.1
148.12157	0.6
149.09628	0.7
149.13309	1.7
157.10179	1.0
159.11739	1.8
161.13280	1.1
163.11273	0.8
173.11725	0.6
184.07281	1.0
189.11211	0.9
223.13332	1.1
227.12852	1.7
228.12964	0.6
229.14439	2.6
229.22205	0.9
230.14799	1.1
243.06317	0.9
243.08389	4.3
245.13939	1.7
261.22217	0.8
265.47162	0.6
269.17471	1.1
275.20120	1.6
276.20575	1.2
279.43680	0.6
291.19620	1.0
301.09027	1.0
313.27509	0.7
315.10699	0.7
331.18884	2.4
335.25815	5.9
336.26105	5.8
337.27496	0.8
347.18814	0.6
349.24069	0.9
350.23895	1.1
367.25049	0.9
369.15112	0.7
397.18372	0.7
489.36090	1.0
529.39288	2.1
530.39569	2.7
533.26990	0.8
535.28815	6.4
549.26764	5.7
551.28687	0.7
570.42523	1.1
609.45392	0.8
610.45374	3.1
621.28552	1.2
627.46704	0.8
628.46588	2.5
843.48590	100.0
844.48822	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	845.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.0
71.61437	1.9
78.25797	1.3
78.44089	1.3
81.07068	1.7
95.08588	1.5
109.98801	1.2
121.81415	1.3
152.95265	1.2
156.01353	1.3
158.50612	1.3
519.29553	1.8
530.28558	1.4
845.48236	100.0
846.48413	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	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.6
66.96704	0.7
67.05507	5.6
69.00897	0.7
69.03429	4.3
69.07066	2.6
69.39221	6.6
71.01337	0.8
73.02920	3.9
79.05500	6.9
81.03425	1.5
81.07067	5.2
83.00085	0.8
83.08599	1.1
85.02916	4.9
87.04501	1.0
91.03965	2.2
91.05488	4.8
93.07042	5.8
95.04974	1.4
95.08607	3.8
97.02904	3.2
97.10202	0.8
99.04443	1.1
101.02385	1.7
105.07019	3.8
107.08617	3.1
108.48183	0.7
109.06478	0.9
109.10108	1.4
117.07050	1.0
119.08556	4.3
121.10165	2.0
127.03901	1.3
131.08582	1.3
133.10162	2.1
135.11713	0.9
136.06201	1.0
145.10153	0.9
147.11728	1.5
149.13286	1.0
159.11713	1.2
200.05644	0.8
233.29305	0.7
243.08392	3.6
254.51414	0.7
297.30432	0.7
301.08972	0.9
302.90930	0.7
315.10748	0.9
333.20453	2.5
403.09662	0.8
465.20767	1.4
535.28992	8.5
551.28284	5.1
623.31061	0.9
683.45905	0.9
845.50208	100.0
846.50623	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	845.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.1
67.05505	4.9
69.03433	3.2
69.07075	2.2
71.04990	0.8
71.29729	0.8
73.02921	2.2
79.05500	5.1
81.03432	1.7
81.07060	5.5
83.04988	0.7
83.08604	0.7
85.02924	4.3
86.09734	0.7
91.03939	2.5
91.05493	4.4
93.07050	5.1
95.04965	1.4
95.08618	3.4
97.02884	3.1
97.06558	0.6
99.04473	0.9
101.02405	1.4
105.07037	3.8
107.04974	0.7
107.08549	2.8
109.02894	0.6
109.10185	1.2
115.04006	0.5
117.07069	1.0
119.08595	3.0
121.06589	0.7
121.10168	2.1
127.03938	1.4
129.07047	0.7
131.08595	1.6
133.10187	1.4
135.11722	1.5
145.10208	1.1
146.30736	0.5
147.11734	1.1
149.13301	0.5
159.11708	0.8
184.07391	1.5
185.04283	0.9
204.81903	0.5
225.25584	0.5
243.08443	4.1
276.02524	0.5
301.09113	1.7
315.10767	0.7
317.20953	0.7
333.20459	2.3
371.16574	0.6
373.10971	0.5
439.19513	0.7
453.21335	0.7
465.20587	0.8
469.20285	0.5
535.28937	7.3
541.22760	0.9
551.28351	5.4
747.42462	0.8
845.50244	100.0
846.50659	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.6
67.05506	7.7
69.03439	2.7
69.07071	8.6
70.08791	2.5
71.05019	0.7
71.08650	2.8
73.02906	3.4
77.27548	0.7
79.05489	6.6
81.03427	2.2
81.07059	7.7
83.04987	1.0
83.08632	5.8
85.02916	5.1
87.58668	0.6
90.23923	0.6
91.03975	3.7
91.05466	4.0
93.07047	5.7
95.08605	5.3
97.02888	3.7
97.06558	1.8
97.10163	4.3
98.21496	0.9
101.02410	1.7
105.07074	2.2
106.42674	0.7
107.08609	3.4
107.97695	0.8
109.02886	1.5
109.10191	2.6
110.71059	0.8
111.08091	1.2
111.11771	1.1
113.00018	11.4
117.06995	0.7
118.96870	0.8
119.08600	1.4
121.10180	3.0
123.11808	0.8
127.03948	1.5
131.08591	1.1
133.10146	1.7
135.11702	2.1
145.10167	1.4
147.11751	0.8
169.02638	9.4
187.03784	1.2
211.27258	0.9
237.22269	1.2
243.08505	2.0
311.25797	23.7
335.26111	1.0
349.19809	6.0
349.23526	0.8
405.23816	0.9
519.29419	4.6
532.40967	1.2
567.27759	2.2
717.42419	1.3
746.06445	0.9
795.23389	0.8
845.50128	100.0
846.50458	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.7
62.39314	0.4
65.03943	0.6
67.05511	5.2
69.03432	2.6
69.07073	2.9
71.04987	0.4
71.59892	0.6
72.87033	0.4
73.02923	3.2
79.05499	6.1
81.03422	2.4
81.07055	5.8
83.04986	0.6
83.08613	0.8
85.02914	4.9
91.03970	2.2
91.05479	5.3
91.06006	0.5
93.07040	6.3
95.04990	1.3
95.08614	3.2
97.02905	4.4
97.06544	0.8
97.10155	0.4
97.19748	0.3
99.04464	0.9
101.02383	1.6
103.03904	0.4
105.07037	3.7
107.08569	2.5
109.02934	0.9
109.06547	0.7
109.10148	0.9
117.07044	1.3
119.08574	3.1
121.10160	1.1
123.08096	0.5
125.09708	0.6
127.03931	1.7
129.05508	0.4
129.07028	0.4
131.08609	1.6
133.10139	2.5
135.11722	1.3
145.10168	1.4
147.11687	1.1
149.09573	0.4
149.13307	0.6
157.10156	0.5
159.11674	0.6
161.13286	0.6
171.11592	0.5
173.13264	0.6
184.07368	0.5
185.04317	1.1
187.72960	0.4
203.05304	0.7
214.65814	0.4
243.08360	3.4
259.07852	0.6
291.07831	0.4
301.08987	1.6
313.09082	0.6
315.10666	0.9
333.20370	3.3
335.42270	0.4
371.16632	0.4
373.10916	0.7
385.18436	0.4
389.23303	0.7
397.18939	0.4
431.24185	0.4
439.19525	1.2
453.21002	0.5
465.21179	0.4
535.28766	7.1
551.28302	6.1
552.28955	0.5
623.30414	1.5
733.40710	0.5
845.50189	100.0
846.50446	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	846.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.5
67.13036	0.6
69.03429	2.2
69.07067	3.9
70.06586	3.4
71.59995	1.0
71.60353	0.8
73.02912	0.8
79.05519	3.9
80.01374	1.5
81.03403	1.6
81.07065	4.5
83.08649	0.8
84.04530	0.7
85.02925	3.2
91.05476	2.5
93.07021	2.5
95.08612	3.1
97.02890	1.8
100.53418	0.7
105.07020	1.9
106.06557	2.4
107.04919	1.0
107.08586	1.8
109.02897	1.3
109.10168	1.7
116.04977	1.7
119.04948	2.3
119.08572	1.5
121.10179	1.3
123.11697	0.8
124.07569	0.7
127.03986	1.1
131.08582	1.2
133.10199	1.6
134.06018	24.4
136.07584	5.0
137.05981	0.8
137.08344	1.9
138.09224	0.9
140.07039	0.8
147.04439	3.1
148.07596	1.5
150.09157	0.9
152.07086	7.2
154.08574	0.7
160.07578	1.6
161.06010	0.8
161.08409	1.6
162.09158	2.1
166.08665	1.8
167.07097	1.7
174.09114	0.9
174.52069	0.7
175.03931	1.2
176.07089	0.9
176.10764	1.9
177.05522	0.9
177.11525	1.2
177.54999	0.7
178.08656	10.0
179.09389	3.6
180.06584	2.6
180.10222	4.3
181.04944	1.1
182.08153	0.8
188.10739	1.8
190.08795	1.3
190.12199	1.3
194.11780	0.8
202.12296	2.8
204.10207	2.2
205.10864	0.8
206.08122	18.6
206.11630	0.8
207.06558	2.1
218.11736	0.8
220.13322	0.9
224.09175	3.6
226.12297	1.0
230.11821	1.9
236.09192	0.7
238.10696	1.3
280.15356	1.2
281.41281	0.7
292.15500	1.0
315.04944	0.8
331.08112	2.8
332.08414	1.2
344.01218	0.8
356.25845	1.1
396.32678	1.6
418.29599	1.4
424.32175	3.0
430.29929	1.2
442.32858	1.5
486.35812	100.0
487.36185	3.8
504.36859	52.4
505.37140	3.1
521.14386	1.1
522.37927	31.6
523.37952	1.7
537.13855	1.1
538.14636	1.1
606.40234	0.8
630.40216	1.0
666.42120	14.8
684.43091	29.0
685.43390	1.3
828.47345	3.5
846.48669	8.3
866.00146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	6.4
62.07701	1.1
67.05511	7.1
69.03440	5.7
69.07063	2.0
71.08623	1.5
71.11104	0.9
71.61311	1.5
73.02919	4.7
79.05494	5.8
81.03423	3.3
81.07063	7.6
83.08639	1.3
85.02914	7.0
86.70200	0.9
91.03959	3.4
91.05474	3.2
91.92965	1.0
93.07027	5.2
95.08611	3.6
97.02897	6.6
97.10170	1.6
99.04476	1.0
101.02365	3.1
105.07030	2.4
107.08607	5.0
109.10174	3.0
117.07030	1.0
119.08585	1.7
121.10171	2.2
121.12201	0.9
122.73905	1.0
125.09681	1.3
127.03927	1.6
131.08568	1.6
133.10132	1.6
147.11768	1.0
149.11946	1.0
150.86275	1.1
174.71082	0.9
185.04276	1.4
243.08508	3.8
255.16980	0.9
335.22070	1.2
347.09433	1.0
351.21600	2.0
405.13705	1.7
429.17743	3.9
497.30695	1.2
519.29041	5.8
535.28748	1.6
569.29694	2.2
591.22528	2.0
659.35870	1.5
685.41602	1.2
847.51666	100.0
848.50427	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.9
61.02930	10.5
65.03944	2.1
67.05506	90.5
69.03426	2.1
69.07069	6.7
71.04999	1.9
71.29176	0.6
71.29501	0.5
73.02919	3.0
79.05499	18.1
79.05959	1.2
81.03421	1.7
81.07059	32.8
83.04962	0.6
83.08614	7.5
85.02907	14.5
85.06569	2.7
91.03963	8.9
91.05482	11.8
93.07044	22.5
95.04957	1.8
95.08607	24.6
97.02894	6.9
97.06568	1.2
97.10171	2.2
99.04482	1.0
99.08114	1.0
101.04664	0.5
105.07038	5.6
107.08594	15.1
107.09279	0.9
109.10158	73.7
110.10494	1.1
111.08084	3.4
117.06976	2.7
119.08582	10.2
121.10149	9.8
123.08088	0.8
123.11679	3.7
125.09650	1.7
127.03915	3.0
129.06993	0.9
131.08539	4.6
133.10138	4.7
135.11682	6.5
137.09615	3.8
137.13210	0.9
139.11185	0.9
145.04930	4.1
145.10135	4.6
147.11681	3.6
149.13246	4.9
155.10657	5.8
157.10059	0.6
159.11681	3.5
161.13219	3.1
163.06030	5.1
163.11226	0.7
163.14868	2.5
173.11771	20.3
173.13263	3.2
175.14854	1.6
177.16461	0.9
187.14850	1.5
189.11177	1.4
196.82571	0.5
201.16397	0.7
213.14725	0.8
217.58049	0.6
227.12793	6.4
229.14357	100.0
230.14803	1.0
233.22614	0.9
243.21011	5.3
259.20773	0.6
261.22156	20.9
317.24719	3.4
333.24124	1.0
335.25806	64.6
336.26151	2.2
373.18759	0.7
379.29984	1.0
397.30890	2.1
415.31808	1.7
449.32593	0.6
469.19373	0.6
471.34726	2.1
489.35754	46.5
490.35760	2.1
507.36859	7.5
511.63110	0.7
526.44476	0.6
571.81805	0.6
615.20593	0.8
633.38550	1.0
848.50220	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	848.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	3.2
61.02932	11.5
65.03954	2.7
67.05511	94.4
69.03453	2.6
69.07073	7.5
70.68195	1.5
71.05003	2.9
73.02915	4.4
78.19272	0.7
79.05499	23.2
81.03425	2.2
81.07066	40.6
83.04998	1.4
83.08630	6.7
85.02908	15.3
85.06570	2.9
91.03967	8.7
91.05487	15.5
93.06454	1.1
93.07054	26.7
95.05009	1.8
95.08616	28.2
96.56760	0.7
97.02908	8.2
97.06549	1.9
97.10186	2.2
99.04472	1.3
99.08121	1.4
105.07034	6.1
107.08607	15.7
109.06536	1.1
109.10167	78.4
110.10516	1.0
111.08112	2.8
113.09676	0.8
115.03956	1.0
117.07009	3.5
119.08588	12.5
121.10153	15.6
123.08069	0.8
123.11735	4.7
125.09675	1.5
127.03922	3.2
131.08578	7.2
133.10138	6.1
135.11710	9.4
137.09624	3.8
137.13257	1.7
139.11179	0.8
143.08528	0.7
145.04971	3.2
145.10153	5.3
147.11684	3.8
149.13239	5.4
151.11160	0.7
155.10686	7.5
159.11679	4.3
161.13292	3.5
163.06038	5.5
163.14844	3.1
171.11642	1.1
173.11790	18.9
173.13298	3.9
175.14861	1.4
187.14836	2.2
189.11279	1.1
201.16248	1.3
227.12834	5.5
229.14372	100.0
230.14780	1.5
243.21169	6.6
261.22168	25.5
283.39066	0.8
317.24814	3.6
335.25833	83.7
336.26141	2.4
379.29919	0.9
397.30963	2.0
415.32092	1.7
471.34494	1.8
485.92996	0.8
489.35812	81.4
490.36011	3.4
507.37036	6.5
513.37579	0.7
731.20190	0.8
848.47186	1.3
879.91681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.4
65.07757	1.2
67.05503	2.1
69.03435	1.4
69.07063	3.9
69.23917	13.8
71.08636	28.7
73.02910	2.6
73.06557	9.2
75.97269	1.2
81.07062	4.0
83.08625	4.8
85.10190	20.0
87.04473	14.9
89.06036	100.0
89.62144	1.2
91.07614	2.0
95.08582	1.5
97.10171	4.3
98.20719	3.2
99.11728	2.5
105.07030	1.5
107.07050	1.7
107.08543	1.3
109.10141	1.5
111.11703	1.9
113.00014	4.1
113.06020	1.3
113.13332	2.2
117.09138	11.8
125.13279	2.1
130.08661	2.3
131.07051	5.2
133.08615	54.8
156.01350	1.2
161.11720	3.4
169.02623	3.2
175.09654	2.3
177.11226	22.1
184.07372	2.6
197.22635	2.1
219.12373	1.4
221.13792	3.6
224.56720	1.4
241.25206	1.8
285.27881	3.3
313.27420	8.1
329.30588	2.8
397.89771	1.4
407.25311	1.8
409.56006	1.3
488.48053	2.0
630.23163	1.4
750.15485	1.6
848.49731	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	850.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.4
61.02930	11.5
65.03946	1.7
67.05506	89.6
68.05824	1.0
69.03423	2.2
69.07069	13.4
71.04997	3.9
71.54348	0.8
73.02908	3.4
77.30241	0.7
79.05492	9.1
81.03419	1.2
81.07057	38.6
83.05000	0.9
83.08610	10.8
85.02905	13.6
85.06528	1.8
85.10166	0.9
91.03960	6.5
91.05479	8.6
93.07042	11.1
95.04951	1.3
95.08606	28.2
97.02914	6.6
97.06525	1.5
97.10181	3.6
105.07056	4.2
107.08579	6.1
109.02843	0.7
109.10159	73.4
111.08080	2.9
115.03894	0.9
119.08604	7.6
121.10128	3.2
123.07953	0.7
123.11713	3.6
125.09599	0.9
127.03925	2.6
133.10104	4.3
135.11694	2.2
137.09615	2.5
137.13255	1.5
145.04922	4.0
145.10170	0.8
147.11676	2.1
149.13217	1.4
155.10687	5.1
161.13240	1.2
163.06059	3.4
163.14822	1.1
173.11729	17.5
173.13144	1.2
175.14847	1.1
227.12831	1.9
229.14352	100.0
230.14742	1.8
245.22685	3.2
263.23715	4.7
337.27374	59.4
338.27805	2.1
410.27429	0.9
470.80893	0.9
491.37338	50.3
492.37549	1.9
509.37863	1.4
521.29602	1.0
522.44159	0.8
540.14355	1.0
850.52765	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	851.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	0.2
67.05507	0.2
67.58129	0.2
68.99813	0.3
69.03443	0.9
70.06224	0.1
70.06620	0.3
70.29926	0.1
81.03455	0.5
85.02915	1.2
87.04563	0.2
91.05489	1.5
93.18968	0.2
95.04964	0.2
97.02944	0.6
103.05500	0.2
105.03445	0.5
105.07076	0.3
109.02910	0.4
109.06546	0.2
119.04954	2.7
121.06564	0.4
124.05272	0.3
127.03962	0.2
131.04976	0.2
133.06529	0.2
135.04431	0.2
137.05986	1.5
145.02892	0.2
147.04416	2.4
149.02364	0.2
149.06004	1.1
151.03920	1.2
151.07559	1.6
153.01837	11.6
154.02647	0.3
161.05984	1.5
162.06760	1.9
163.03947	0.2
165.05559	0.3
167.07100	0.3
171.04312	0.2
177.05489	0.2
178.02667	0.5
179.05453	0.4
179.07036	6.9
180.07886	0.6
181.04984	0.5
187.04037	0.3
197.05986	0.2
202.06340	0.3
203.03455	0.2
207.06543	0.3
213.05487	2.9
229.04971	0.4
230.05760	0.6
241.04982	8.3
242.05721	2.1
243.02962	0.3
243.06503	0.3
255.06557	0.8
256.07501	0.2
258.05258	2.6
269.04504	2.6
270.05231	10.7
271.05823	0.5
273.04056	1.4
273.07617	1.9
283.06180	0.3
284.03156	0.4
284.06570	0.2
285.04037	0.6
286.04767	4.4
287.05499	4.6
288.06097	0.2
298.04752	0.3
299.05536	1.5
301.03455	2.3
301.07104	2.7
302.04218	3.0
302.07462	0.3
311.05521	0.8
313.03549	0.8
313.06876	0.2
314.04153	0.6
314.07706	0.2
315.05005	41.9
316.05716	5.6
317.06265	0.3
327.08698	0.2
329.06580	56.2
330.07083	2.5
331.08127	100.0
332.08472	2.9
361.28799	0.2
367.70728	0.2
373.09091	1.2
421.82977	0.2
459.10568	1.1
463.56903	0.2
479.13605	1.0
491.12039	12.7
492.12234	0.6
493.13422	1.7
509.14383	1.7
527.15466	1.9
689.20953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	8.9
63.44626	0.3
67.05511	7.7
69.03432	5.6
69.07074	1.7
71.01363	0.8
71.05003	0.7
71.61272	0.4
71.61652	0.4
73.02917	5.0
73.54636	0.4
79.05485	3.6
81.03411	3.0
81.07061	5.5
83.08624	0.8
85.02907	9.5
85.11845	0.4
85.12354	0.4
87.04482	0.8
87.38949	0.3
87.78443	0.4
89.05978	0.4
91.03954	5.7
91.05483	3.1
91.25923	0.4
93.07055	4.4
95.04975	0.8
95.08612	3.2
97.02901	10.1
97.03505	0.7
97.06517	0.4
99.04478	1.6
101.02386	2.7
103.03970	0.6
105.07058	1.5
107.04977	0.5
107.08608	1.7
109.02901	1.3
109.06489	0.5
109.10164	4.4
115.03960	0.9
117.07056	0.8
119.08603	1.7
121.10155	1.6
127.03907	2.4
131.08549	0.8
133.10165	0.9
135.11696	1.1
145.05005	0.6
145.10124	0.7
147.11745	0.5
149.13283	0.4
157.78743	0.4
159.11765	0.5
173.11806	1.0
185.04214	1.1
195.10005	0.7
201.03708	0.5
203.05362	1.0
222.52470	0.4
229.14467	0.8
243.08389	2.6
261.22192	0.6
291.19659	0.5
335.25873	0.8
347.09540	2.5
363.09189	0.7
365.10760	1.0
405.13702	7.1
413.17786	7.1
519.29291	7.3
553.61615	0.4
575.23010	4.2
639.43781	0.4
681.34595	8.3
691.40466	1.7
824.46686	0.4
853.45569	100.0
854.46088	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	853.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.4
64.03900	0.6
67.05511	9.6
69.03438	4.5
69.07073	1.4
70.06618	0.7
71.01382	0.7
71.05005	0.7
73.02918	4.5
79.05512	3.2
81.03429	1.9
81.07066	5.0
83.04984	1.0
83.08640	1.0
85.02908	6.7
87.04475	0.8
90.86004	0.5
91.03971	4.7
91.05484	1.9
93.07053	3.8
95.05011	1.0
95.08633	3.4
97.02907	6.5
97.06550	0.8
97.10180	0.8
99.04478	1.1
101.02390	1.7
103.03946	0.6
105.07056	1.7
107.05007	0.6
107.08598	1.9
109.02918	1.1
109.10179	6.6
109.66815	0.5
115.03942	1.0
117.07041	0.7
119.08601	2.3
121.10172	1.4
123.11636	0.6
127.03914	2.6
131.08588	0.7
133.10146	0.9
145.10214	0.6
152.05701	0.9
152.54887	0.6
173.11729	2.3
185.04289	0.7
195.09926	0.8
200.40866	0.4
203.05318	0.7
229.14462	1.3
229.29471	0.5
243.08424	2.4
291.19620	0.9
347.09680	2.0
363.09387	0.7
365.10550	0.8
405.13715	6.5
413.17828	9.7
505.96924	0.5
519.29242	5.1
575.23157	9.2
576.23486	0.7
623.39929	0.5
681.34772	4.1
691.40503	1.6
853.45599	100.0
854.45825	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	854.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.9
62.03820	1.1
63.36428	1.1
65.03928	3.6
65.15839	1.1
67.05510	52.0
69.03436	13.2
69.07071	37.5
69.35236	5.8
69.35665	5.9
71.01393	1.2
71.05004	6.1
73.02895	2.7
79.05050	2.5
79.05498	45.2
81.03422	10.9
81.07062	47.1
83.04977	9.1
83.08620	13.2
85.02888	3.7
85.06535	2.4
87.77759	1.1
91.05490	44.5
93.07053	42.9
95.04971	12.4
95.08616	22.5
97.02905	10.4
97.06531	11.1
97.10182	16.8
99.08083	1.7
99.16706	1.1
105.04487	1.3
105.06365	2.3
105.07036	30.9
107.04963	14.2
107.08602	29.7
109.02901	2.8
109.06522	8.4
109.10165	14.0
111.04475	2.2
111.08069	4.0
113.09662	1.9
115.05434	1.7
117.07013	15.8
119.04957	2.6
119.08591	25.6
120.05758	1.4
121.06506	5.8
121.10179	10.7
123.04391	1.4
123.08076	4.7
123.11704	3.0
125.09632	11.3
126.36398	1.3
127.03941	1.7
127.07538	1.4
128.06210	1.7
129.05486	1.9
129.07039	8.5
130.07835	1.8
131.08575	17.5
133.06494	4.8
133.10130	16.5
135.08090	5.8
135.11739	8.9
137.09631	4.0
139.11127	1.2
142.07756	1.7
143.08545	5.2
145.06451	2.1
145.10161	13.9
147.08064	7.1
147.11694	9.0
149.09637	8.9
149.13277	6.9
151.11211	4.5
155.08647	1.8
157.10141	6.5
159.08043	1.7
159.11710	10.3
161.09607	3.7
161.13231	4.1
163.11230	7.6
165.09074	1.8
169.10126	1.4
169.12253	1.6
171.10181	2.4
171.11646	2.8
173.04544	1.7
173.13197	2.8
175.11130	2.7
177.12756	3.7
179.14331	1.8
185.13242	2.0
187.13332	1.3
189.11261	6.0
189.12706	1.5
195.13823	5.0
197.13258	2.1
205.12224	1.7
211.13210	2.0
219.13705	2.1
223.13336	17.8
227.12788	13.2
227.18034	1.5
229.19531	2.0
245.13913	1.4
245.18945	1.6
249.14815	3.9
253.14409	2.9
255.15971	4.0
257.19022	5.5
267.16235	1.4
269.17505	11.4
273.18527	13.7
275.20093	21.3
291.19559	100.0
292.19907	2.2
293.20999	1.8
307.34061	1.4
309.20444	1.4
331.22653	1.9
347.22113	3.5
349.23734	20.3
365.23245	36.0
367.24719	1.8
519.33081	2.3
535.32684	2.7
541.34863	2.3
545.34570	11.5
557.34589	1.6
559.36371	39.2
599.39203	1.5
621.41608	2.6
639.42609	20.4
640.43274	1.4
657.43964	1.9
854.45392	10.9
855.47284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.1
65.03941	3.7
67.05508	50.5
68.38747	1.1
69.03428	13.6
69.06711	2.2
69.07071	39.5
71.04989	3.8
71.61208	1.7
73.02876	1.1
79.05498	49.1
81.03429	10.5
81.07061	49.4
83.04976	11.1
83.08620	15.0
85.02905	4.2
85.06538	3.1
91.05485	36.8
91.06056	1.5
93.07047	40.1
95.04977	14.4
95.08616	26.2
97.02890	11.8
97.06538	13.4
97.10173	16.3
99.04463	1.5
99.08099	1.4
103.05467	1.3
105.03365	1.2
105.06361	2.4
105.07030	32.3
107.04972	12.1
107.08600	28.8
109.02845	1.7
109.06541	7.5
109.10149	14.4
111.04482	1.7
111.08086	5.1
113.18148	1.2
115.05516	2.0
116.06267	1.9
117.07025	15.1
119.04994	1.4
119.08579	26.4
120.05708	1.1
121.06517	6.9
121.10141	12.1
123.08067	5.1
123.11695	2.6
125.09644	13.8
128.06146	1.5
129.07027	6.3
130.07742	1.4
131.08595	15.2
133.06490	4.5
133.10144	17.9
134.07262	1.8
135.08072	5.5
135.11713	8.2
137.09622	3.6
139.11130	1.3
141.06993	1.5
143.08568	4.0
145.10130	13.8
147.08081	5.9
147.11696	7.3
149.09616	9.7
149.13219	6.6
151.07529	1.7
151.11179	2.6
153.09154	1.9
155.08537	2.2
157.10158	4.6
159.08038	1.6
159.11671	8.9
161.09576	3.5
161.13303	2.4
163.11154	7.2
165.09210	1.4
169.10124	3.3
169.12253	2.0
171.10233	2.6
171.11693	3.2
173.11862	1.5
173.13263	3.3
175.11154	2.5
177.12762	2.6
179.14386	1.4
181.10159	1.3
181.12207	1.5
183.11659	1.5
185.13246	2.5
189.11212	5.8
189.12743	2.0
189.43524	1.3
193.12320	2.4
195.13899	3.2
197.13292	1.6
205.12215	2.1
223.13290	16.8
227.12759	11.3
233.15445	2.4
237.16183	1.2
239.17793	1.9
245.19022	2.1
247.20726	1.8
249.14914	3.4
253.14339	3.9
255.15891	3.8
257.18903	6.6
269.17490	14.4
273.18497	13.7
275.20071	19.0
291.19556	100.0
292.19714	3.2
293.21130	2.5
297.22064	1.4
309.20547	2.1
347.22003	1.4
349.23767	14.8
365.23276	37.2
379.06461	1.2
417.69678	1.1
505.05478	1.3
541.34882	2.6
545.34711	14.2
559.36371	40.1
621.41193	1.5
639.42566	21.0
640.43475	1.5
703.40594	1.4
854.45685	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	855.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.9
67.01859	0.8
67.05496	3.6
69.03425	0.9
69.07073	0.8
70.06571	1.1
75.03835	0.9
79.05474	2.7
81.03426	1.8
81.07050	2.6
84.74823	0.7
85.02881	1.5
91.05492	5.3
93.07034	2.5
95.04984	1.1
95.08607	1.5
97.02896	0.9
98.97637	0.8
101.71429	0.8
103.05489	1.2
105.06998	1.8
107.04932	1.8
107.08586	1.4
109.06427	0.9
109.10154	1.0
115.05477	1.2
116.98664	0.8
119.04941	2.2
119.08602	1.5
120.67917	0.8
121.06546	0.8
131.04878	1.0
133.02855	1.0
133.10126	1.8
137.05962	3.4
138.17230	0.7
145.02797	1.2
145.20345	1.0
147.04407	3.7
149.02376	1.4
149.05988	4.1
151.03909	1.5
153.01828	31.9
161.05966	1.4
163.03940	1.3
163.11264	1.0
165.05522	5.5
167.07019	0.8
175.07477	1.5
177.05548	1.2
178.02498	0.8
179.07042	8.7
179.57689	0.8
200.04868	0.8
202.06294	0.8
207.06647	1.2
213.05435	7.6
229.04953	1.6
230.05736	1.2
241.04950	14.5
242.05716	7.0
243.02917	0.9
243.06369	1.6
255.06644	2.1
256.07254	0.9
257.04498	4.9
258.05252	9.4
269.04431	3.1
270.05246	16.5
271.05676	1.8
272.06747	1.4
273.03979	2.9
273.07553	4.3
283.05966	1.9
286.04721	6.1
286.08319	2.4
287.05450	10.5
299.05557	5.3
301.03397	3.9
301.07068	6.0
302.04230	6.7
306.32773	0.9
311.05646	1.2
313.03378	3.8
313.07037	3.0
314.04471	1.7
314.07825	31.3
315.04950	78.6
315.08609	39.7
316.05661	10.2
316.09039	1.3
329.06573	50.6
330.07233	2.8
331.08121	100.0
332.08472	3.3
429.09134	0.9
433.09180	1.5
447.10608	1.3
448.11276	0.9
449.08249	1.6
453.11960	1.5
459.27420	1.0
463.26849	0.8
465.11569	2.4
476.10880	2.7
477.11771	5.0
477.28305	1.0
478.12302	1.3
479.13309	3.2
480.13354	1.1
489.11884	2.7
490.12436	3.9
495.12875	4.4
495.29440	1.0
496.13834	1.3
505.11389	1.5
507.12888	25.0
508.13715	21.9
525.14032	4.4
677.21930	0.9
807.19702	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	855.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	5.6
69.07055	1.1
69.60894	6.5
71.08627	2.0
71.95261	2.0
79.05498	2.4
81.03407	1.5
81.07055	4.1
84.96040	27.1
91.05511	1.9
93.07058	3.2
95.08614	3.2
98.97583	28.8
102.97083	2.7
109.10152	2.0
110.97569	7.9
112.14344	0.9
112.99154	3.6
113.70678	1.0
116.98617	12.2
124.99116	10.7
128.98630	8.4
131.00217	3.6
134.99666	3.3
136.99155	1.8
139.00708	2.6
140.00238	2.0
140.98584	6.8
143.00172	25.6
143.01234	1.6
144.98103	10.9
146.99641	5.2
155.00168	7.8
157.01764	3.9
158.99701	3.3
161.01225	19.3
162.93813	1.3
162.99174	7.0
164.98608	1.2
166.01845	2.0
172.94318	1.6
173.01239	8.3
177.00705	2.3
179.02345	1.2
180.94754	5.8
182.99651	10.2
184.02882	2.3
191.02327	2.8
198.95847	13.0
201.00697	17.8
203.02327	1.3
206.01228	1.3
210.96004	1.1
212.97362	1.4
216.96974	2.7
219.01831	3.1
221.97484	1.1
222.95900	3.3
224.02446	1.6
224.97548	3.7
228.96901	4.6
236.97459	1.5
240.96950	8.7
242.98544	3.3
246.95969	3.9
246.98206	1.2
258.98068	3.8
264.96844	13.1
282.97974	30.9
287.98550	1.9
295.19757	1.5
300.99017	15.5
305.99606	4.0
312.20041	1.0
313.20566	11.0
313.27490	4.0
317.17892	20.7
317.21301	1.5
331.21710	5.3
335.18866	6.2
335.26083	3.6
336.22577	1.1
341.02362	3.8
357.01770	1.9
358.20374	1.4
359.03461	2.5
373.20612	3.5
469.46661	1.0
577.23492	29.5
578.23700	1.7
595.24677	6.6
599.22009	40.8
600.22485	2.0
618.26672	3.0
855.45990	100.0
856.46472	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.9
65.03940	4.2
67.05511	100.0
69.03432	4.2
69.07076	18.9
71.04998	3.4
73.02933	2.3
79.05502	45.5
81.03423	9.2
81.07066	62.2
83.01360	1.4
83.04989	8.6
83.08621	18.1
85.02916	14.7
85.06542	4.0
86.04056	1.4
87.04448	3.7
91.04951	2.5
91.05484	29.7
93.07055	45.8
94.00001	1.4
95.04993	6.9
95.08613	37.3
97.02893	3.2
97.06539	4.5
97.10184	15.1
99.08096	1.6
103.03886	1.5
105.04530	1.7
105.07038	18.2
107.04944	4.0
107.08601	30.0
109.06516	1.6
109.10167	66.7
111.08093	4.1
117.06274	1.5
117.07002	7.8
119.08595	19.5
121.06525	2.1
121.10155	22.7
123.08046	2.7
123.11707	4.4
124.16605	1.4
125.09636	14.2
129.07008	2.5
131.08588	9.4
133.10155	8.4
135.11702	13.2
137.09641	2.7
137.13243	2.3
139.11252	1.7
143.08571	2.1
143.10670	2.9
145.10138	10.0
147.11668	9.0
149.09673	2.4
149.13252	4.9
153.12770	3.6
155.10674	3.8
156.50851	1.6
157.10104	1.9
159.11713	6.0
161.13274	2.9
163.11143	7.3
163.14792	2.7
173.09567	2.0
173.11758	13.5
173.13271	6.8
181.12289	1.6
187.14848	2.4
191.10701	3.5
193.12352	1.6
199.13245	7.3
200.95361	1.6
209.11736	5.0
217.14345	2.1
222.21196	1.5
227.12851	7.5
229.14330	40.5
229.19684	1.8
241.19327	1.6
243.21124	4.0
246.08545	1.4
259.20868	1.8
261.22141	17.4
267.15854	3.1
283.15134	1.9
301.16364	12.9
317.24664	2.1
333.24207	1.5
335.25836	82.6
336.26114	2.4
399.23843	11.8
456.95743	1.4
477.35803	5.6
489.35907	22.2
501.74149	1.5
561.37885	5.7
579.38501	2.6
659.45227	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11135	2.4
65.03936	6.1
65.34382	2.2
67.05506	92.0
69.03436	12.0
69.07076	46.0
69.61031	14.7
71.04985	7.0
73.02891	2.2
79.05051	5.1
79.05495	73.7
81.03418	18.6
81.07055	100.0
83.04979	15.7
83.08618	26.1
85.02909	6.0
85.06532	5.0
91.03934	2.4
91.05479	73.6
93.07048	71.6
95.04964	14.6
95.08041	3.6
95.08612	51.9
97.02880	9.0
97.06527	26.8
97.10172	21.1
99.08096	4.4
103.05437	2.8
105.06367	4.2
105.07033	61.4
107.04957	19.0
107.08596	59.6
109.02881	3.9
109.06518	8.3
109.10162	23.2
111.04461	2.4
111.08086	6.9
113.09641	3.6
117.07018	29.5
119.04960	2.8
119.08579	42.3
121.06516	8.4
121.10131	27.2
123.08068	6.8
123.11711	6.1
125.09624	20.3
127.03911	4.5
128.06223	3.1
129.06990	12.1
131.08575	33.6
133.06490	4.3
133.10138	37.8
135.08052	7.6
135.11702	19.7
137.09618	6.8
141.06946	5.1
141.84500	2.6
142.07803	2.2
143.08553	9.2
145.06467	2.2
145.10126	31.3
147.08041	3.4
147.11688	23.1
149.09630	21.3
149.13232	10.4
155.08546	6.3
157.10152	8.5
159.11714	21.8
161.13258	8.6
163.11205	14.1
165.12781	3.3
167.08556	2.6
168.46103	2.2
169.10170	5.6
171.08110	2.4
171.10352	2.3
171.11688	9.6
173.04553	2.3
173.09679	2.3
173.13226	11.0
175.11189	3.4
177.12770	5.8
179.14305	6.3
181.10147	3.1
183.11642	6.8
184.07306	4.7
185.13229	4.9
187.11253	3.8
187.14766	3.9
189.11258	13.3
189.12753	4.1
193.12299	2.3
195.13818	5.7
197.13234	5.0
199.11325	2.8
199.14844	4.5
201.12605	2.5
209.13145	3.4
215.17857	2.1
219.17511	2.2
227.12811	27.2
229.14252	5.5
229.19484	6.6
239.17906	6.6
241.19690	2.9
247.20485	3.7
253.18013	3.4
255.15799	11.0
257.19064	16.4
267.15979	4.4
269.17505	26.5
275.20059	61.3
293.20917	5.7
321.24283	3.0
331.22705	4.2
349.23737	59.9
367.24750	4.1
429.29605	2.6
439.26755	3.1
445.29700	5.1
449.29016	6.4
463.30579	9.5
519.33173	3.3
525.36438	3.5
529.35229	10.9
543.36841	40.7
561.37695	3.4
623.43091	14.7
641.43915	7.1
856.56036	5.6
857.46246	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95572	0.5
61.02937	4.0
67.05512	7.9
69.03439	3.2
69.07073	3.8
71.61315	1.0
73.02921	3.5
79.05495	7.4
81.03424	3.1
81.07065	9.4
83.04992	1.5
83.08627	1.9
85.02911	3.8
86.98595	0.5
91.03967	1.8
91.05482	6.7
93.07047	5.4
95.04991	1.8
95.08622	3.8
97.02885	3.4
97.06566	0.8
97.10194	1.0
99.04486	0.6
101.02384	1.3
105.07046	4.1
107.08607	4.7
109.02890	0.7
109.06473	0.6
109.10180	2.6
110.89821	0.5
111.08062	0.5
117.07047	1.3
119.08604	2.5
121.10175	2.1
123.08057	0.9
125.09668	1.1
127.03950	1.3
131.08620	1.0
133.10133	3.1
135.11716	1.9
145.10159	2.0
147.11732	1.6
149.13292	0.9
159.43350	0.5
185.04242	0.8
189.11110	0.7
223.13300	0.9
243.08510	3.8
277.21378	0.6
291.19632	1.7
310.34830	0.6
331.18866	1.3
333.20566	1.8
335.25995	1.6
469.20328	0.6
499.38055	0.7
517.38965	1.4
549.26740	6.5
551.28131	5.8
606.78278	0.5
615.17010	0.7
626.45056	0.6
782.14850	0.5
859.48114	100.0
860.48206	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	859.4815
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02936	3.7
62.19431	0.4
64.69100	0.4
67.05518	4.4
69.03431	2.8
69.07077	2.9
69.93273	1.9
70.06594	0.6
71.04997	1.0
73.02915	2.0
75.11936	0.4
79.05499	5.1
81.03418	1.8
81.07057	5.7
83.04971	1.2
83.08633	1.3
85.02912	3.0
91.03976	1.3
91.05483	4.2
93.07047	3.6
95.04976	1.7
95.08615	2.9
97.02886	3.4
97.06547	0.9
97.10178	1.3
99.04457	0.4
99.08105	0.5
101.02400	1.5
105.07049	2.6
107.04999	1.2
107.08607	3.2
109.02885	0.8
109.06496	0.4
109.10175	1.6
117.07034	0.9
119.08597	1.5
121.06498	0.6
121.10172	1.0
123.04424	0.4
123.08126	0.5
125.09624	0.6
127.03957	1.1
131.08588	0.9
133.10135	1.3
135.11731	0.9
145.10144	1.0
147.11720	0.5
155.21027	0.4
157.10127	0.7
159.11708	0.6
164.63971	0.4
203.05066	0.5
223.13345	1.1
243.08398	3.8
291.19714	1.4
331.18863	0.9
333.20514	1.4
335.25900	0.5
337.47644	0.4
369.15665	0.5
387.21384	0.5
389.22800	0.5
439.19516	0.6
453.21210	1.2
549.26819	5.8
550.26947	0.5
551.28308	6.1
730.76685	0.5
859.48126	100.0
860.48566	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	859.4828
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02931	4.0
67.05514	7.8
69.03432	3.5
69.07069	2.9
71.60016	1.2
73.02929	3.7
77.51757	1.1
79.05503	4.7
81.03440	3.1
81.07050	8.2
83.05042	1.4
85.02906	4.2
91.03967	1.8
91.05492	5.2
93.07069	5.8
95.04986	2.1
95.08621	5.4
97.02908	4.9
97.06549	1.6
98.49660	1.4
105.07063	6.5
107.08656	2.8
109.02916	1.2
109.06535	1.5
109.10165	2.3
117.07036	2.4
119.08578	2.8
120.08037	1.1
121.06547	1.4
121.10118	1.6
127.03963	1.7
129.07030	1.3
131.08604	1.8
133.10149	3.6
135.11642	1.1
142.31657	1.2
145.10130	1.7
147.11816	1.8
151.11307	1.0
159.11584	1.4
205.33998	1.1
243.08488	4.1
313.17593	1.3
331.18835	2.7
439.19427	1.5
451.19760	1.2
464.54807	1.1
500.51761	1.1
531.25458	1.6
549.26678	4.6
551.28363	9.1
580.51489	1.3
623.30768	1.6
761.40564	2.5
841.47052	9.5
859.48004	100.0
860.48840	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	860.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64905	0.1
61.02934	1.1
65.03938	0.2
65.37609	0.1
67.02972	0.2
67.05159	0.2
67.05506	3.0
69.03432	0.7
69.07080	0.7
71.05000	0.2
71.72454	0.1
73.02920	0.6
74.30819	0.1
77.81526	0.1
79.05498	2.4
80.04449	0.1
81.03423	5.3
81.07059	2.6
83.04990	0.3
83.08627	1.1
85.02901	0.8
85.06541	0.2
91.03973	0.3
91.05486	2.2
92.02526	0.1
93.07047	2.4
94.04079	0.1
95.04973	1.6
95.08609	1.9
95.09152	0.2
97.02884	0.8
97.06532	0.2
99.08122	0.1
101.66903	0.1
105.07040	1.3
107.04961	0.4
107.08604	1.0
107.09234	0.2
109.05124	0.1
109.06515	0.4
109.10155	0.7
111.08066	0.4
117.07045	0.3
119.03542	1.2
119.08587	1.2
121.06541	0.2
121.10159	1.0
123.11693	0.3
127.03973	0.1
129.07025	0.7
131.08598	0.9
133.06505	0.3
133.10153	0.7
133.31177	0.1
135.03023	0.1
135.11697	0.4
136.06194	100.0
137.04593	1.1
137.06544	0.6
137.09608	0.2
142.07861	0.2
145.10126	0.4
147.08022	0.3
147.11667	0.6
149.09621	0.3
149.13266	0.3
152.05685	2.4
153.04128	0.1
157.10168	0.6
161.13289	0.2
173.13284	0.2
175.11191	0.4
178.07216	0.2
184.07407	0.2
187.76305	0.1
193.12228	1.4
198.39597	0.1
211.13174	0.1
212.59731	0.1
243.20892	0.2
261.22171	0.6
267.15927	4.3
268.16162	0.2
298.11496	0.2
310.56290	0.1
317.24634	0.1
321.24240	0.2
335.25830	3.2
335.29874	0.2
342.92651	0.1
346.18616	0.2
420.22192	0.2
527.37427	1.2
542.86151	0.2
545.38275	0.8
680.43829	1.8
681.44073	0.2
698.44916	4.8
699.44739	0.4
738.73584	0.2
842.49438	1.0
854.93884	0.1
860.49609	2.6
861.49420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	1.1
65.03937	0.3
67.05161	0.3
67.05507	4.4
69.03429	0.7
69.07079	0.8
69.71134	1.0
70.06601	0.3
71.05013	0.2
73.02921	0.5
79.05499	3.3
81.03419	6.4
81.07054	3.5
83.04975	0.3
83.08616	1.9
85.02901	1.2
86.09702	0.4
91.03958	0.6
91.05482	2.8
93.07043	3.5
94.04082	0.2
95.04974	1.9
95.08614	2.4
97.02911	1.3
97.06540	0.3
97.10184	0.2
105.04465	0.2
105.07032	1.9
107.04953	0.5
107.08602	1.3
109.06535	0.5
109.10187	0.9
111.08079	0.5
112.49650	0.2
115.05487	0.2
117.07038	0.4
119.03561	1.2
119.08584	1.5
121.06509	0.2
121.10156	1.4
123.11749	0.3
129.07016	0.9
131.08594	1.2
133.06590	0.2
133.10143	0.8
135.11696	0.8
136.06189	100.0
137.04620	1.3
137.06645	0.9
137.09676	0.2
142.07793	0.2
145.10115	0.5
147.08072	0.4
147.11703	0.8
148.55969	0.2
149.09642	0.4
149.13249	0.4
152.05678	0.8
157.10129	0.7
159.11630	0.3
163.11136	0.2
173.13394	0.2
174.07784	0.3
175.11186	0.9
178.07271	0.4
184.07349	1.2
193.12270	1.7
195.35623	0.2
211.13116	0.3
261.22107	0.6
267.15924	4.0
298.32214	0.2
335.25861	3.2
339.15839	0.2
346.18674	1.1
375.23654	0.2
420.22455	0.7
438.23328	0.2
476.05475	0.2
527.37195	1.0
545.38361	0.7
680.43774	3.4
681.43671	0.2
691.51404	0.2
698.44928	11.7
699.45013	0.8
842.48938	2.0
860.49725	4.3
861.49792	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	7.1
67.05511	7.9
68.13967	1.2
69.03416	3.7
69.07076	2.0
71.61304	1.3
73.02899	5.5
73.15575	1.1
73.40256	1.3
79.05474	3.8
81.03442	1.3
81.07046	5.8
83.08603	2.2
84.05248	1.2
85.02924	6.6
89.06023	2.2
91.03957	3.4
91.05452	3.4
93.07038	4.2
95.04947	1.5
95.08582	5.6
97.02885	5.7
101.02368	2.6
105.07054	2.9
105.32466	1.3
107.08595	2.4
109.10145	5.3
117.21092	1.3
133.10109	1.8
138.69701	1.3
181.40613	1.2
185.04248	1.7
243.08459	3.0
301.08939	2.1
373.11124	1.9
385.18292	2.1
413.17874	6.7
519.29272	11.5
578.30658	3.8
591.31329	1.8
691.40295	100.0
692.40375	5.4
719.42908	1.9
747.41913	3.9
861.49176	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	861.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41473	0.3
61.02928	3.2
62.90628	0.3
64.40591	0.3
67.05509	6.3
68.05833	0.3
69.03439	2.3
69.07070	2.1
70.34711	0.3
70.78748	0.8
71.04975	0.4
73.02912	2.8
79.05499	4.5
80.05802	0.5
81.03413	5.7
81.07065	6.3
82.07368	0.5
83.04968	0.7
83.08642	1.8
85.02905	3.5
91.03940	1.4
91.05479	3.5
92.05857	0.3
93.07050	4.6
95.04962	2.2
95.08601	3.4
96.08932	0.4
97.02908	2.8
97.06532	0.8
99.04426	0.4
99.05029	0.3
101.02391	0.9
105.07033	2.8
107.04962	0.7
107.08588	2.1
109.02872	0.5
109.06528	1.2
109.10186	1.7
111.08011	0.3
117.07014	0.8
119.03556	1.1
119.08579	2.3
121.06476	0.4
121.10128	2.0
123.08169	0.5
127.03925	1.0
129.06975	0.8
131.08557	2.0
133.10115	1.4
135.11670	1.0
136.06192	100.0
136.66890	0.3
137.04590	0.6
137.05783	1.4
137.06647	10.7
145.10156	1.0
147.11705	1.5
149.09589	0.6
150.32387	0.3
152.05673	4.5
153.04120	0.8
155.18552	0.3
157.10072	0.5
159.11636	0.4
175.11217	0.3
193.12329	0.7
228.64360	0.3
243.08377	1.8
261.22183	0.7
262.22565	0.5
267.15875	3.4
268.16376	1.3
315.04016	0.3
333.20480	1.9
335.25870	2.6
336.26208	1.9
389.22955	0.7
410.58499	0.4
439.19498	0.5
452.23624	0.4
453.21078	1.1
469.20410	0.4
527.37317	0.6
528.37878	1.3
546.39001	1.0
551.28265	6.9
680.43359	0.5
681.44183	1.3
698.44849	1.1
699.45178	4.7
763.42548	0.6
843.49414	1.3
861.49634	53.0
862.49707	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	862.6469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.4
67.02840	1.0
67.05502	4.8
69.03417	2.6
69.07061	4.8
71.08640	27.1
71.60648	1.3
73.02917	4.2
73.06559	9.8
79.05498	2.9
81.03413	1.4
81.07059	3.5
83.08646	4.9
85.02898	3.5
85.10192	18.0
87.04485	14.6
89.06039	100.0
91.03967	2.7
93.07040	2.5
95.04967	1.0
95.08618	2.0
97.02912	2.9
97.10150	5.4
99.11753	2.2
101.02384	1.3
105.07064	1.6
107.07111	2.6
107.08561	2.2
109.10175	2.1
111.11722	3.6
113.06006	1.1
113.13274	1.8
115.07546	1.1
117.09137	9.4
125.13296	1.9
127.03926	1.6
127.14836	1.4
129.05391	1.2
130.08684	2.4
131.07068	4.0
133.08614	50.3
135.10204	1.2
141.16431	1.1
161.11745	3.8
175.09709	3.5
177.09796	1.8
177.11240	19.9
177.12646	1.5
211.24245	1.9
219.12277	1.0
221.13910	4.2
255.26836	1.2
278.35950	1.0
283.17535	1.8
299.29456	3.6
325.41003	1.2
343.32059	3.7
403.56561	1.0
413.17847	2.9
414.18018	1.8
519.29370	2.8
520.29596	6.4
569.57489	1.3
579.31104	1.7
592.31647	1.7
691.40314	14.6
692.40692	62.2
693.40271	3.9
720.43683	1.5
748.42664	1.6
767.16119	1.2
806.61151	1.3
845.61121	1.3
862.49646	4.0
862.64716	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	865.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65798	0.1
67.05473	0.1
68.99769	0.2
69.03388	0.4
70.06557	0.5
71.04987	0.8
71.60363	0.2
72.08138	0.2
75.04465	0.2
75.67094	0.1
79.05456	0.2
81.03384	0.3
81.07030	0.1
83.04939	0.2
84.08115	0.1
85.02908	1.3
91.05439	0.5
93.07028	0.2
94.06593	0.1
95.04919	0.3
95.08568	0.1
97.02853	0.3
97.06541	0.1
99.04453	0.1
103.05434	0.3
105.07000	0.3
106.04168	0.2
107.04912	0.4
108.02076	0.1
109.02838	0.2
111.05637	0.1
119.04887	0.3
121.02833	0.4
121.06455	0.3
121.10150	0.2
123.04424	0.2
125.05960	0.1
127.03902	0.3
129.05513	0.3
131.04861	0.3
133.10081	0.2
135.11592	0.2
137.02335	0.1
137.05910	0.3
141.73605	0.1
145.02783	0.4
145.04846	0.1
147.04398	0.6
147.06540	0.1
149.06020	0.7
151.03946	0.2
153.01822	2.3
154.02583	0.3
155.06985	0.2
161.05989	0.2
163.03897	0.4
167.07016	0.9
175.03871	0.4
177.05472	1.1
178.02568	0.4
179.07050	1.1
181.04930	0.4
181.08562	0.5
182.09369	0.3
191.06972	0.3
192.07880	0.2
193.08540	0.1
203.03333	0.1
205.04968	0.2
207.06525	0.6
209.08095	4.7
210.08826	1.0
213.05438	0.2
225.05283	0.1
229.04662	0.2
241.04858	0.7
242.05716	2.6
243.06300	0.2
258.02771	0.2
258.05225	2.2
265.11154	0.1
269.04639	0.3
270.05222	11.3
271.05789	0.4
273.03909	1.4
285.03909	0.3
286.04694	1.5
287.05484	4.9
298.04657	0.2
299.05481	1.0
300.05878	0.2
301.03452	3.0
301.06683	0.2
302.04205	3.6
312.05930	0.2
313.03345	0.9
315.04965	45.3
316.05676	5.9
316.09567	0.2
317.06107	0.2
329.06494	2.9
330.07242	0.3
331.08099	100.0
332.08444	2.4
362.38992	0.2
373.09128	0.2
509.14758	0.2
557.16528	33.2
558.16919	1.3
637.17120	0.2
719.21729	0.4
865.29108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	0.2
67.05482	0.2
69.03406	0.3
69.66329	0.9
70.06554	0.5
71.05013	0.7
72.08169	0.1
79.05493	0.3
81.03389	0.3
83.04952	0.3
83.73792	0.1
84.08133	0.2
85.02908	1.8
86.09713	0.2
91.05434	0.6
93.07019	0.3
95.04962	0.2
95.08568	0.2
97.02866	0.4
98.20761	0.3
98.97575	0.2
103.05419	0.3
105.07008	0.3
106.04143	0.2
106.10555	0.1
107.04964	0.3
109.02822	0.4
110.07108	0.2
111.04427	0.1
117.03362	0.2
118.87589	0.1
119.04930	0.5
121.02854	0.3
121.06485	0.3
127.03894	0.3
129.05440	0.4
131.04926	0.2
133.10039	0.2
135.04414	0.2
137.02261	0.2
137.05949	0.5
139.03972	0.1
145.02873	0.4
147.04381	0.5
149.05963	0.7
151.03873	0.4
153.01839	1.9
154.02538	0.3
163.03845	0.2
167.07031	0.9
175.03836	0.4
176.04680	0.2
177.05449	1.3
178.02608	0.5
179.07010	1.1
181.04895	0.5
181.08566	0.5
182.09273	0.1
191.06993	0.3
193.08595	0.3
200.06937	0.2
207.06549	0.9
209.08101	4.6
210.08842	0.8
213.05469	0.2
227.30743	0.2
241.04935	0.6
242.05711	2.0
255.02849	0.2
258.05228	2.1
264.35300	0.2
269.04498	0.4
270.05243	10.0
271.05725	0.5
273.03940	1.5
273.07239	0.3
285.03998	0.3
286.04688	1.6
287.05493	4.4
298.04733	0.3
299.05518	1.3
300.06171	0.2
301.03461	2.4
301.06763	0.2
302.04227	3.8
313.03546	0.9
315.04987	42.5
316.05695	5.8
329.06583	3.0
330.07410	0.3
331.08115	100.0
332.08456	2.5
468.74323	0.2
491.11728	0.2
508.95676	0.2
513.03204	0.1
534.14777	0.2
557.16541	33.4
558.16614	1.2
637.17078	0.2
719.20544	0.3
865.29218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.5
67.01861	0.2
69.03429	0.3
70.84311	0.5
71.05004	0.5
78.04748	0.2
80.04274	0.2
81.03420	7.4
85.02898	0.8
89.03916	4.0
91.05467	0.4
97.02896	2.6
98.20837	0.2
99.04450	3.3
105.04491	0.2
109.02883	23.2
117.03382	11.7
118.03734	0.2
119.04936	0.3
127.03921	12.3
134.03642	0.6
135.04471	0.8
139.03902	0.9
145.02847	36.1
146.03192	0.5
149.05986	4.2
158.05943	0.2
163.03876	0.4
169.04970	16.6
170.05287	0.2
177.05470	100.0
178.05811	1.4
185.05936	0.2
186.05531	0.7
191.21603	0.2
215.06886	0.2
217.08609	0.3
221.04457	0.4
229.07036	1.6
237.96913	0.2
243.06454	0.3
259.09692	0.5
285.07568	3.5
289.09238	0.8
303.08649	5.7
345.09686	12.8
346.09900	0.4
362.19067	0.2
557.08344	0.2
557.16522	4.2
566.73016	0.2
621.04944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.4
65.03919	0.5
66.25443	0.5
67.05508	11.9
69.03411	1.1
69.07072	6.6
69.51706	1.6
69.52139	2.2
71.04954	1.8
71.08640	13.8
73.02886	2.2
73.27705	0.5
79.05496	12.5
81.03390	1.5
81.07059	16.2
81.94839	0.5
83.04945	1.5
83.08621	11.4
85.02922	2.7
85.06535	0.8
85.10193	7.8
89.06005	1.3
91.03930	1.8
91.05497	3.9
93.07044	20.1
95.04964	3.9
95.08610	31.1
97.02901	3.3
97.06538	3.0
97.10174	3.2
98.21430	1.1
99.04453	3.6
99.08076	0.5
99.11732	0.8
99.35187	0.4
99.49995	0.5
103.07568	0.7
105.07021	4.5
107.04979	5.9
107.08599	16.0
109.06503	1.3
109.09549	0.5
109.10166	6.6
111.04430	0.9
111.08062	0.9
111.11690	0.9
117.07035	6.3
119.08594	6.4
121.06508	2.8
121.09440	0.6
121.10154	7.9
123.11714	3.0
125.05950	2.2
130.07745	1.2
131.08511	0.5
133.10092	1.8
135.08017	1.2
135.11699	35.3
137.13208	1.0
139.07497	1.4
145.04973	0.7
145.06488	0.6
145.10129	17.8
153.12708	0.6
157.37817	0.5
163.11189	46.7
164.11444	0.6
173.09595	0.9
181.12256	8.1
209.11769	0.9
227.12790	48.8
239.23709	1.8
245.91843	0.7
257.24808	2.0
283.15405	81.3
284.15726	2.2
313.27368	84.1
314.27557	2.3
521.38397	100.0
522.38776	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	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59950	0.6
62.84050	0.6
65.03941	0.9
67.05504	16.2
69.03431	3.9
69.07064	6.4
69.42475	5.5
71.04996	3.0
71.08271	1.2
71.08633	16.3
73.02897	3.0
79.05490	12.2
81.03416	34.7
81.07056	22.9
83.04984	8.6
83.08617	19.3
85.02412	1.5
85.02905	22.0
85.06537	1.4
85.10188	9.9
87.04473	1.6
87.33447	0.6
89.06043	1.4
91.03960	6.5
91.05479	16.9
93.07040	8.9
95.04971	11.7
95.08604	15.2
97.02891	6.7
97.06535	2.3
97.10162	4.1
99.04462	0.9
99.08084	1.1
103.07579	0.8
105.07033	10.8
107.04951	4.3
107.08579	4.5
107.69956	0.6
109.06528	1.9
109.10158	6.3
111.04430	1.4
111.08118	6.0
111.97533	0.8
113.06020	1.7
115.05399	1.1
117.07068	0.9
119.08585	10.5
121.10147	5.2
123.08040	1.4
123.11720	2.8
125.09644	0.6
127.03917	2.1
129.07001	7.3
131.08583	6.7
133.06490	1.4
133.10130	7.5
134.63216	0.7
135.11736	1.0
137.09602	1.2
142.07791	1.4
145.04980	2.3
145.10135	1.5
147.08066	1.9
147.11684	8.0
149.09644	4.3
157.10139	8.3
157.65488	0.7
163.06004	3.1
165.12753	2.2
175.11168	8.0
193.12238	26.5
206.74409	0.7
211.13304	43.5
212.13591	0.8
239.23749	2.2
257.24844	1.5
267.15915	16.3
268.16092	0.8
283.15369	0.7
285.16953	60.0
286.17322	1.4
302.45425	0.6
313.27356	62.8
314.27698	2.0
505.38889	13.7
523.39948	100.0
524.40131	3.5
537.40253	0.7
611.88654	0.8
735.88904	0.7
770.58893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.3
65.03953	0.2
69.03394	0.3
70.11722	0.5
70.12136	0.7
74.91957	0.2
79.05489	0.2
81.03414	2.2
81.07072	0.5
83.01115	0.3
84.95993	0.2
85.02898	0.9
89.03917	2.6
90.04257	0.2
91.05499	0.7
93.07070	0.3
95.05014	0.2
97.02914	0.6
98.20757	0.2
99.04482	0.8
103.05437	0.3
107.08620	0.3
109.02882	3.1
117.03385	7.0
119.04982	0.3
121.10153	0.2
127.03926	2.0
134.03735	0.3
135.04382	0.3
145.02850	15.9
145.10213	0.2
146.03180	0.4
147.04442	0.6
149.02097	1.5
149.05984	2.2
169.04948	2.1
174.28690	0.2
177.05475	19.6
178.05844	0.8
186.05560	0.6
199.03674	5.4
217.04866	0.3
249.07738	0.3
259.05917	0.6
329.08566	0.8
331.08044	0.5
343.07889	11.7
382.95212	0.3
385.08975	1.1
403.10269	0.3
405.58209	0.2
579.14740	4.0
580.15161	0.3
597.15601	1.6
743.48669	0.2
763.28723	0.3
825.22284	0.5
885.24237	100.0
886.24463	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	885.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.4
69.03435	2.5
69.07081	0.4
69.34740	2.3
69.35144	0.9
71.04996	0.8
71.08636	1.4
73.02917	2.9
79.05511	1.2
81.03429	1.3
81.07072	1.5
83.08627	1.2
85.02903	4.7
85.10186	1.0
87.04475	0.5
91.03960	3.0
91.05489	0.9
93.07056	2.0
95.05051	0.4
95.08607	3.4
97.02892	4.7
97.10156	0.5
99.04480	0.8
101.02398	1.3
103.03990	0.5
105.07079	0.4
107.04955	0.5
107.08633	1.5
109.02925	0.7
109.10154	0.8
117.07076	0.5
121.10194	0.6
127.03965	1.3
135.11723	2.8
143.91908	0.4
145.10172	1.4
163.11203	3.4
181.12253	0.5
185.04277	0.9
189.53709	0.4
203.05330	0.6
214.17740	0.5
227.12773	2.6
243.08539	2.3
249.10965	6.2
264.09924	0.4
305.13580	2.6
313.27368	0.6
347.09634	2.0
363.09229	0.4
365.10596	0.5
405.13675	5.7
466.13370	0.4
467.18967	12.6
468.19565	0.5
473.15143	0.4
497.31012	4.8
561.37854	0.8
600.34204	0.4
618.25574	0.5
629.24261	7.0
630.24866	0.5
659.36096	5.1
686.61182	0.4
723.43066	3.2
885.48132	100.0
886.48645	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	888.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.7
67.05506	52.1
69.03397	1.9
69.07068	15.8
69.32892	4.9
71.04996	4.0
73.02882	2.4
79.05496	34.1
81.03391	1.8
81.07059	62.4
83.05002	3.7
83.08205	0.7
83.08624	9.4
85.02911	9.1
85.06523	3.5
91.03958	5.6
91.04964	1.2
91.05482	19.0
91.06052	1.0
92.10490	0.7
93.07047	50.5
95.04979	3.9
95.08608	28.9
97.02910	6.6
97.06520	7.2
97.10131	2.2
98.21436	1.4
98.31477	0.7
99.08068	2.7
105.07031	11.2
107.08598	28.0
109.06479	1.5
109.10168	9.1
111.08092	3.3
113.09605	1.0
117.07040	5.8
119.08600	6.4
120.45953	0.7
121.06519	1.0
121.09301	1.2
121.10149	19.9
123.11714	4.0
127.03896	2.0
131.08566	9.2
133.10126	8.1
135.08018	1.3
135.11699	10.0
137.09563	0.7
139.11156	1.5
145.04967	2.3
145.10124	4.5
147.11650	3.0
149.09550	1.2
149.13264	22.4
151.11319	0.7
159.11684	9.1
161.13228	2.0
163.06018	3.0
163.14807	1.5
165.12729	0.7
171.11694	0.8
173.13261	1.8
176.89418	0.7
177.12778	4.1
177.16422	1.1
180.79817	0.7
187.14810	1.5
195.13786	8.2
213.14813	1.3
243.21153	2.7
261.22171	8.7
267.15900	2.6
269.17480	91.9
270.17810	1.9
317.24747	3.0
335.25809	49.9
336.26254	1.7
344.24133	0.7
370.72928	0.7
437.34567	1.7
455.34976	1.3
511.37790	1.3
529.38910	100.0
530.39178	3.7
547.40094	2.2
888.49506	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	890.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.3
67.05509	52.8
69.03426	2.3
69.07069	17.5
71.05008	6.7
71.10638	1.8
73.02906	2.7
75.77670	1.0
79.05496	34.6
81.03434	2.6
81.07059	71.4
83.04975	4.3
83.08620	11.8
85.02925	7.1
85.06544	3.8
91.03967	6.0
91.05487	22.3
93.07050	37.2
95.04975	3.1
95.08611	62.8
97.02888	4.1
97.06537	7.2
97.10181	3.5
99.04465	1.6
99.08102	2.6
105.07030	20.3
107.08594	20.1
109.06533	2.6
109.10162	19.8
110.98420	1.1
111.08058	2.4
117.07002	3.6
119.08588	21.0
121.10147	13.2
123.08059	1.9
123.11707	6.0
125.09675	1.1
127.03902	2.1
131.08574	8.1
133.10138	14.2
135.11697	13.6
137.06456	1.0
137.09619	1.8
137.13255	4.4
137.33171	1.1
145.04962	2.3
145.10115	6.7
147.11703	3.4
149.09534	1.7
149.13260	5.8
151.11127	1.3
151.14828	1.5
157.10126	1.1
159.11696	5.7
161.13264	22.2
163.05989	2.6
163.14828	2.3
173.13298	2.9
175.14798	2.4
179.14308	18.8
181.30882	1.0
184.07286	0.9
187.14830	2.8
197.15508	1.6
201.16183	1.1
203.17902	1.1
243.21127	3.8
243.84326	1.0
253.18005	18.4
255.19740	1.0
261.22192	14.1
269.17502	1.7
271.19055	40.7
279.23236	1.9
317.24811	1.3
335.25812	100.0
336.26193	2.5
337.27209	3.0
349.10187	1.0
353.26758	3.0
439.35678	2.8
457.36835	4.4
513.39630	6.7
531.40491	70.1
532.40601	3.9
549.41412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05511	15.0
68.88606	0.7
69.03421	2.9
69.07079	4.3
71.01334	0.7
71.04992	1.3
71.08276	1.0
71.08640	15.5
71.09014	0.7
73.02908	3.2
75.21111	0.7
79.05496	4.8
81.03436	4.3
81.07063	19.7
83.04958	1.9
83.08633	11.0
85.02919	8.8
85.06555	0.8
85.10189	8.5
85.63545	0.7
87.04429	0.8
89.06018	1.5
91.03968	5.9
91.05488	11.0
93.07047	9.9
95.04962	2.8
95.08614	13.9
97.02909	7.7
97.06519	2.2
97.10163	3.2
98.20732	1.3
99.00821	12.0
99.04467	1.7
103.01905	0.7
105.07042	9.3
107.04958	4.2
107.08607	5.1
109.02887	6.3
109.06519	1.9
109.10167	7.2
111.04459	0.9
111.08070	2.0
113.06001	0.7
115.03934	2.0
117.06982	1.9
119.08593	4.4
121.06548	4.6
122.04748	0.7
123.04444	1.4
123.08056	0.8
123.11707	3.3
127.03918	4.6
129.07001	0.9
131.08556	0.8
133.10141	24.8
135.11693	1.0
137.06021	1.3
137.09615	1.4
139.07544	1.8
140.06821	2.8
143.08548	3.7
145.05003	1.6
145.06517	0.9
147.08055	0.7
151.11177	8.4
161.09636	13.8
163.06024	3.0
163.11293	0.8
169.02603	1.0
171.08099	2.5
179.10690	7.0
189.09142	6.3
197.11760	1.6
207.10159	2.0
221.22629	0.8
225.11244	9.7
229.28191	0.9
239.23648	1.8
243.12378	1.9
257.24753	1.5
267.15784	1.1
281.13892	5.3
299.14911	100.0
300.15277	1.5
313.27386	76.0
314.27771	3.0
337.27359	2.7
488.36276	0.7
537.37903	56.0
538.38239	2.5
717.77600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	2.0
67.05505	33.9
69.03426	1.1
69.07079	7.1
69.46204	1.3
71.04993	14.8
71.08630	18.9
71.60104	2.2
73.02922	1.6
79.05475	8.0
81.03413	2.1
81.07058	61.2
83.04974	2.9
83.08622	10.0
85.02905	7.6
85.06541	6.6
85.10175	11.1
91.03950	4.8
91.05478	9.8
93.07044	9.5
95.08610	18.1
97.02871	5.2
97.06532	1.9
97.10153	3.7
105.07037	4.7
107.08582	7.3
109.10152	11.3
111.08076	1.3
121.10164	1.6
123.11710	13.1
127.03887	2.0
131.08496	2.0
133.10147	10.5
135.11658	1.9
137.13214	1.4
145.04941	1.6
149.13246	1.3
151.11194	5.5
152.50174	1.1
159.11725	2.3
163.05995	1.8
169.12265	1.7
177.12752	1.6
183.13760	1.9
187.13272	3.4
195.13934	1.3
239.23749	2.1
240.70628	1.3
269.17493	5.0
301.20078	12.2
313.27356	14.4
481.38901	70.9
482.38904	2.5
495.40485	3.0
507.40570	8.4
539.43073	100.0
540.43298	4.1
861.42212	1.4
899.49982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05208	1.6
67.05511	20.0
69.03442	3.3
69.07072	9.1
71.04993	1.7
71.08637	19.6
71.61240	1.3
73.02908	1.5
77.96119	1.2
79.05496	14.5
79.22387	1.1
81.03423	59.6
81.07058	23.8
83.04986	3.9
83.08624	19.3
85.02928	5.9
85.06538	1.9
85.10192	13.2
91.03964	3.3
91.05483	17.3
93.07047	13.9
95.04974	21.6
95.08610	21.2
97.02894	3.4
97.06525	1.8
97.10166	5.2
105.07048	12.0
107.04959	4.7
107.08586	5.3
109.06540	1.8
109.10162	12.3
111.08070	3.5
117.07027	3.3
119.08595	12.9
121.06525	3.0
121.10131	6.6
123.04427	3.1
123.11703	3.7
127.03922	2.0
129.07042	7.9
131.08578	9.0
133.06505	2.9
133.10129	4.1
135.11731	1.8
137.13269	1.6
142.07816	2.3
143.08701	1.2
145.04955	1.4
145.10152	1.7
147.04396	2.6
147.08057	3.2
147.11664	8.1
149.09627	2.4
157.10097	7.7
159.04398	1.6
163.03906	3.4
163.06050	4.0
163.11209	2.4
171.11551	1.5
173.02284	2.5
175.11159	7.6
185.06068	1.4
187.03900	3.2
189.05545	1.9
193.12253	22.9
199.03941	2.1
213.05421	1.6
214.05803	1.8
234.43588	1.3
239.23711	1.4
249.14708	1.7
257.24759	1.5
259.13312	2.9
267.15942	100.0
268.16333	1.6
298.89536	1.2
301.14307	1.5
309.17081	2.6
313.27399	95.1
314.27603	3.6
315.04868	1.8
331.07913	3.8
332.08511	2.8
333.13336	2.4
335.25903	3.6
336.26321	1.6
355.15439	3.8
356.15845	3.8
425.18393	1.9
429.18988	5.1
430.19312	5.1
505.38922	88.4
506.39102	4.0
523.40131	1.9
547.40076	4.2
601.41156	2.5
603.67932	1.5
690.40344	3.0
707.42059	1.4
708.41730	4.8
730.37384	1.6
900.47302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.8
67.05510	49.0
69.03436	4.5
69.07072	14.1
70.95079	2.3
71.01347	1.0
71.04987	3.4
71.08645	2.8
73.02916	4.5
77.03922	1.0
79.05501	44.3
81.03426	16.3
81.07061	57.1
83.01357	7.2
83.04992	11.6
83.08620	16.3
85.02914	18.6
85.06562	2.3
85.10189	1.0
91.03967	11.0
91.05485	25.2
93.07051	55.0
94.07389	1.1
95.04974	11.9
95.08613	39.9
97.02894	12.7
97.06565	5.0
97.10195	5.6
99.04475	2.6
99.08076	1.2
105.04539	1.2
105.07036	18.8
105.07738	1.0
107.04971	7.5
107.08597	27.8
109.06542	6.8
109.10160	17.7
111.04443	2.7
111.08083	3.2
111.11712	1.2
117.07038	10.5
119.08590	15.3
121.06548	4.7
121.10150	23.5
123.08088	8.2
123.11713	4.7
125.06017	1.8
125.09649	3.3
127.03902	5.0
129.07008	2.9
130.07805	1.5
131.08566	11.9
133.10152	10.8
135.08067	2.4
135.11699	21.9
135.12698	1.7
136.06230	3.0
137.09630	1.7
137.13258	1.3
143.08540	3.3
145.04971	4.3
145.10130	20.1
147.08054	2.5
147.11705	6.5
149.09627	2.1
149.13277	6.2
153.09154	0.9
153.12787	3.0
155.08589	2.2
157.10184	2.3
159.11708	6.3
161.13292	3.8
163.06029	6.4
163.11189	21.5
163.14850	4.0
171.11757	1.5
173.09688	2.1
173.13307	5.5
175.11102	1.2
175.14844	1.8
181.12189	4.5
185.13242	1.0
187.14877	2.5
189.11232	1.8
191.10724	1.9
193.12349	2.6
194.12674	1.3
201.16364	1.1
209.11755	6.2
227.12785	14.5
227.14856	1.2
243.21036	5.6
244.08171	0.9
245.13800	1.1
259.20618	3.2
261.22150	18.6
261.24796	1.5
264.46671	1.3
265.14325	1.2
267.15945	9.6
268.16306	3.9
269.16382	1.8
283.15417	97.9
284.15710	1.9
299.23685	5.6
313.27335	7.0
314.27713	5.5
315.27960	2.4
317.24817	5.3
333.24255	2.9
335.25833	96.6
336.26123	2.7
369.24030	1.1
408.55682	0.9
433.30923	2.9
451.32144	3.8
469.33099	3.4
487.33636	1.6
505.38931	4.1
506.39725	4.4
507.39847	4.5
515.37445	1.4
525.35822	7.8
543.36853	100.0
544.37000	2.5
561.37506	4.9
706.38824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.3
67.05507	30.1
69.03387	2.3
69.07066	9.8
70.76353	1.8
71.04965	2.6
73.02892	2.0
77.03896	0.8
79.05495	31.6
81.03404	3.5
81.07061	37.8
81.32371	0.7
81.94456	0.7
83.04950	3.0
83.08628	8.4
85.02909	4.0
85.06534	1.2
85.10153	0.7
91.03920	1.9
91.04957	1.1
91.05479	16.1
93.07048	49.3
94.07352	1.2
95.04980	6.7
95.08610	49.6
97.02875	4.8
97.06528	3.5
97.10162	2.2
99.04427	3.0
99.08075	0.8
103.05445	1.0
105.04534	1.5
105.07037	13.6
107.04965	6.5
107.08600	32.1
109.06504	1.9
109.10159	11.1
111.04414	1.7
111.08086	1.5
113.05991	1.1
117.06319	0.8
117.07023	10.2
119.08587	11.5
121.06525	4.7
121.09330	1.1
121.10152	18.1
123.08063	1.4
123.11697	2.0
125.05952	3.0
127.03870	0.7
130.07765	1.9
131.08582	4.7
133.10121	5.7
135.08060	1.9
135.11703	49.9
137.13290	0.9
139.07558	1.6
143.08638	0.7
145.04936	0.7
145.10129	25.3
146.35580	0.6
147.08176	0.7
147.11639	2.4
149.13249	2.3
153.12741	1.3
159.11700	2.8
161.13268	2.3
163.06017	1.1
163.11191	55.3
163.14790	2.1
173.09370	0.7
173.13214	1.9
177.16478	0.8
181.12227	9.2
187.14908	1.4
209.11662	1.9
227.12787	69.2
228.13098	1.0
243.21106	2.2
261.22131	9.8
283.15408	100.0
284.15897	2.0
317.24860	3.6
335.25809	84.2
336.26105	2.2
469.32516	0.9
543.36841	93.2
544.37299	4.1
561.37604	1.5
903.47955	0.9
910.43732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.6
67.05509	39.7
69.03392	1.7
69.07070	9.7
70.25668	0.4
71.04955	2.2
71.05299	0.5
71.08588	0.8
73.02890	1.8
79.05498	32.6
81.03398	2.0
81.07061	39.3
83.04987	3.0
83.08627	8.4
84.08893	0.6
85.02921	3.4
85.06515	1.1
91.03928	2.1
91.05482	15.5
93.07050	46.2
94.07338	0.8
95.04980	5.9
95.08611	49.5
97.02914	3.9
97.06538	3.7
97.10142	2.0
99.04478	3.2
99.08067	0.7
105.04486	0.6
105.06393	0.8
105.07032	12.0
107.04955	5.8
107.08598	32.3
109.06548	2.5
109.10168	12.2
111.04461	0.6
111.08044	1.5
115.05457	0.7
117.07024	8.5
119.07790	0.7
119.08588	12.3
121.06535	4.2
121.10151	17.5
122.10474	0.6
123.08035	1.3
123.11659	1.7
125.05967	2.1
129.07019	0.8
130.07755	1.6
131.08569	5.0
133.10149	7.0
135.08095	2.4
135.11702	40.7
136.12007	0.8
137.13287	0.6
139.07559	1.2
143.08603	0.9
145.05014	0.6
145.10136	24.0
147.11710	3.2
149.09587	0.7
149.13251	3.6
153.12672	0.6
155.08548	0.6
159.11671	2.0
161.13234	1.6
163.11191	44.3
164.11594	0.6
173.09694	0.5
173.13242	2.7
175.14877	0.9
177.16382	0.7
181.12221	5.9
187.14798	0.7
189.67365	0.5
209.11717	1.4
227.12788	51.2
228.13165	1.1
243.21112	1.8
256.13428	0.5
261.22162	6.6
279.23386	0.7
283.15421	56.8
284.15884	1.0
317.24670	2.6
335.25818	100.0
336.26157	3.3
382.17755	0.5
449.99896	0.5
469.33151	0.5
543.36853	94.3
544.37073	4.2
673.91077	0.5
712.22418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05507	47.3
69.03435	5.5
69.07074	12.0
71.04985	4.5
71.60229	1.1
73.02917	4.5
77.25510	0.8
79.05496	41.3
81.03419	53.1
81.07058	46.6
83.04983	12.7
83.08620	22.7
85.02908	31.4
85.06537	2.3
91.03972	8.8
91.05485	36.0
93.07048	40.2
95.04967	23.0
95.08610	32.4
97.02906	10.4
97.06529	3.9
97.10180	4.9
99.04461	1.0
99.08102	1.7
105.04513	0.8
105.07032	25.5
107.04974	5.5
107.08603	17.5
109.06519	5.7
109.10159	12.0
111.04449	1.7
111.08087	8.9
113.05997	2.3
113.37437	1.0
115.05441	1.9
117.07039	4.1
119.08585	23.0
121.06473	2.4
121.10143	18.8
123.08086	3.3
123.11696	5.3
125.09638	2.0
127.03915	2.7
129.05466	1.0
129.07008	9.5
131.08575	14.3
133.06493	2.8
133.10123	14.7
135.08104	1.2
135.11693	7.3
137.09604	1.8
137.13321	1.2
142.07771	2.5
143.08562	1.2
145.04947	2.1
145.10136	7.4
147.08064	3.8
147.11693	15.1
149.09608	5.3
149.13298	3.7
151.11147	1.2
157.10135	11.3
159.11707	4.2
161.13297	4.0
163.06009	3.4
163.11194	1.4
163.14781	2.5
165.12775	4.0
171.11739	1.7
173.13272	3.2
175.11189	11.8
175.14816	1.5
177.16417	1.2
183.11949	1.0
187.14890	1.3
193.12245	41.1
211.13300	59.7
212.13602	1.1
227.12784	1.3
243.21129	2.9
261.22134	10.7
267.15927	16.6
284.22440	0.9
285.16974	74.3
303.22894	0.8
317.24774	3.0
335.25818	72.2
336.26385	1.4
359.25983	0.9
435.32312	2.4
453.33496	2.4
471.34427	1.2
527.37341	14.9
545.38403	100.0
546.39069	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	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.3
67.05507	43.5
68.05833	0.6
69.03435	3.7
69.07071	10.2
69.27079	3.1
69.27507	2.1
71.04989	4.1
73.02912	3.1
77.03954	0.9
79.05494	32.4
81.03418	34.2
81.07059	42.7
83.04983	8.9
83.08624	16.3
85.02908	23.8
85.03426	1.2
85.06557	1.5
91.03954	5.3
91.05482	26.6
93.07046	34.0
95.04970	15.8
95.08609	28.8
95.09232	1.1
97.02886	6.5
97.06518	3.6
97.10174	4.1
98.06020	0.5
98.21503	1.0
98.39157	0.5
99.04436	0.9
99.08115	0.9
105.04524	0.9
105.07032	21.9
107.04962	4.5
107.08597	16.5
109.06529	3.8
109.10155	10.8
111.04456	1.3
111.08067	6.5
113.06013	1.7
115.05482	1.6
117.07040	3.6
119.05030	0.5
119.08586	18.0
119.09446	1.0
121.06522	1.9
121.10139	15.7
123.08073	2.0
123.11724	3.6
125.09612	1.7
127.03909	1.7
129.06996	6.6
131.08575	12.6
133.06538	1.7
133.10132	11.2
135.08144	1.0
135.11682	8.3
137.09660	1.6
137.13232	1.3
141.07037	0.5
142.07787	1.4
143.08539	0.9
145.04990	1.8
145.10123	6.0
146.46368	0.6
147.08093	1.8
147.11693	12.0
149.09598	3.9
149.13280	4.4
151.11154	0.8
157.10138	9.8
159.11687	4.4
161.13249	3.1
161.27275	0.5
163.06009	2.3
163.11211	0.9
163.14795	1.2
165.12782	2.2
171.11679	1.4
173.13304	2.3
175.11185	7.1
175.14813	0.8
177.16397	0.8
187.14850	1.6
189.16402	0.6
193.12244	24.0
201.16415	0.8
209.11874	0.6
211.13298	34.5
212.13710	0.7
227.12737	1.0
233.22643	0.7
243.21136	1.8
249.14847	0.7
259.20444	0.8
261.22156	9.8
267.15918	10.9
269.17358	0.7
270.15616	0.6
285.16962	44.9
301.25223	0.8
317.24832	1.9
333.24023	0.8
335.25809	64.3
336.26321	1.6
393.69489	0.7
417.32043	0.8
435.32471	1.2
453.33569	1.2
471.34753	1.0
527.37421	13.7
545.38385	100.0
546.38660	3.6
563.39398	0.7
664.95892	0.6
689.41968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.6
69.03420	2.8
69.07072	1.0
69.26171	5.6
71.04985	0.7
73.02944	2.8
79.05495	3.7
81.03421	2.1
81.07053	4.6
82.07403	0.7
83.08593	0.8
85.02917	4.4
91.03960	1.9
91.05487	3.0
93.07045	3.2
95.04994	1.0
95.08625	4.1
96.08936	0.6
97.02897	4.8
97.06529	0.7
98.83275	0.5
99.04462	0.9
99.67975	0.6
101.02396	1.7
105.07045	1.1
107.04980	1.2
107.08611	1.9
109.10146	0.9
117.07063	1.1
119.08597	1.7
121.10168	2.0
124.11086	0.5
127.03951	1.7
131.08583	0.8
133.10208	1.2
135.11716	2.4
145.10167	2.0
163.11244	3.0
181.12216	0.8
185.04260	0.7
227.12918	2.4
243.08534	2.1
249.11008	5.7
252.15952	1.3
285.16876	0.7
305.13742	2.6
326.19638	1.0
335.26059	1.4
336.26309	0.6
347.09628	1.0
365.10696	0.6
365.21417	0.6
405.13641	5.6
467.18906	10.3
519.29395	5.3
547.39856	0.9
583.44006	1.3
629.24097	6.2
630.23865	0.7
681.34467	4.5
745.41248	1.3
773.72931	0.7
907.46582	100.0
908.46881	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	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.0
69.03431	3.3
69.07071	1.2
69.80251	1.6
70.06606	0.6
71.01358	0.4
71.04993	0.8
73.02920	3.7
79.05499	3.1
79.98350	0.3
81.03431	1.6
81.07059	3.9
82.07410	0.4
82.76750	0.3
83.08642	0.7
85.02911	5.4
86.09676	0.5
87.04472	0.5
91.03966	3.0
91.05479	2.0
93.07055	4.0
95.04981	0.8
95.08610	3.8
97.02902	5.2
98.21390	0.5
99.04487	0.6
101.02371	1.7
103.03946	0.3
105.07047	1.4
107.04950	0.5
107.08605	1.7
109.02885	0.7
109.10166	1.0
117.06992	0.8
118.08691	1.0
119.08624	1.3
121.10167	1.0
127.03947	1.5
131.08588	0.8
133.10173	0.9
135.11691	2.0
145.04980	0.4
145.10201	1.0
159.11797	0.4
163.11143	1.5
179.48149	0.3
181.12289	0.3
185.04276	0.9
199.93900	0.3
203.05299	0.8
227.12907	1.2
243.08458	2.1
249.10980	7.4
249.13277	0.4
305.13809	1.3
335.25836	1.1
336.26459	0.4
347.09534	2.1
363.08994	0.4
365.10706	0.5
405.13693	4.8
422.62195	0.3
439.20242	0.4
467.18848	4.6
503.37820	0.6
504.37848	0.8
519.29315	7.1
547.39386	0.5
548.39520	0.7
583.36963	0.6
629.24146	3.1
681.34515	6.7
745.41290	1.5
869.87762	0.3
907.46600	100.0
908.46899	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	909.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	4.6
68.69149	0.4
69.03431	4.0
69.07066	1.4
69.85750	0.4
70.06602	11.9
70.06993	0.7
71.01363	1.0
71.06955	0.5
71.60143	0.4
71.60577	1.0
72.08164	0.9
73.02918	4.1
79.05498	3.7
81.03419	2.9
81.07058	3.8
83.04970	0.8
83.08622	0.7
85.02913	6.6
86.09723	1.6
91.03958	4.7
91.05476	3.4
93.07049	7.4
94.07391	0.6
95.04997	1.3
95.08617	2.8
96.08158	1.3
97.02895	6.7
97.06526	0.6
99.04476	1.1
101.02399	2.1
103.05429	0.5
105.07062	1.7
106.25362	0.5
107.08585	2.4
109.02922	0.8
109.10167	0.9
119.08589	0.9
120.08175	1.0
121.10193	1.8
127.03950	1.8
129.07001	0.7
131.08525	1.2
133.10178	1.6
135.11722	0.8
138.12810	1.2
139.13589	2.0
145.04990	0.6
146.96706	0.5
147.11757	0.7
154.87802	0.5
168.13922	1.9
169.09811	0.6
185.04311	1.0
193.12199	0.7
203.05296	1.2
208.27151	0.5
243.08472	2.6
301.16562	0.5
301.20038	0.6
335.25995	1.0
336.26605	0.6
347.09384	2.2
363.08905	0.7
365.10626	0.6
405.13626	5.9
453.32986	0.6
469.20584	4.5
519.29224	4.8
631.25818	2.6
681.34528	6.8
683.46838	0.6
747.43164	1.3
909.48138	100.0
910.48279	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	914.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91497	0.6
67.05509	14.0
67.31680	0.5
69.03420	1.8
69.07072	7.1
70.18124	2.0
71.04974	1.6
71.08640	19.8
73.02891	1.5
79.05113	0.6
79.05492	6.4
81.03425	54.7
81.07066	17.8
83.04972	3.2
83.08625	19.8
85.02899	5.5
85.06535	1.1
85.10194	12.8
89.06005	1.8
90.59972	0.6
91.03967	3.0
91.05486	11.3
92.04279	0.6
93.07047	6.4
95.04977	17.5
95.08044	1.0
95.08614	15.9
97.02902	4.7
97.06508	1.1
97.10184	5.6
99.04477	0.7
99.11686	1.0
103.07559	1.7
105.07037	7.1
107.04952	3.5
107.08610	3.2
109.06490	2.7
109.10151	7.1
111.04457	1.3
111.08115	4.6
111.11673	0.9
119.04938	0.9
119.08584	7.6
121.06503	2.1
121.10125	3.3
123.04438	1.3
123.08040	1.1
123.11679	2.4
125.09611	1.2
127.03855	0.9
129.06993	5.0
131.08569	6.8
133.06445	1.7
133.10115	2.4
135.11697	0.9
137.09604	1.1
137.13304	0.7
142.07782	2.0
143.08617	0.9
145.04971	1.5
145.10112	1.0
147.04431	1.1
147.08058	3.0
147.11685	4.7
149.09634	2.5
157.10153	7.9
163.06003	2.6
163.11241	1.1
165.12747	1.7
175.11206	8.2
193.12268	23.7
193.14055	1.3
211.13245	2.1
225.14735	0.7
235.13254	1.3
239.23758	2.0
249.14940	1.7
257.24771	2.5
259.13300	1.3
267.15939	100.0
268.16431	1.3
276.69839	0.9
289.14273	0.7
301.14374	1.3
303.93112	0.6
309.16965	3.2
313.27390	95.9
314.27783	2.1
327.28915	2.3
369.86624	0.6
405.09399	0.8
505.38928	82.7
506.39267	2.4
519.40637	1.1
523.39844	1.2
547.40106	4.8
555.40436	1.5
589.40521	1.3
601.41028	2.4
613.40973	1.9
631.41870	1.9
649.42871	1.5
780.36963	0.7
914.51593	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	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.5
65.96831	0.4
67.05512	13.5
69.03392	2.0
69.07068	5.7
69.36889	0.7
69.37295	3.8
71.04975	1.4
71.08634	19.6
73.02880	0.9
77.92930	0.5
79.05500	7.7
79.91427	0.5
81.03421	55.6
81.07063	15.1
83.04947	2.4
83.08620	16.1
85.02893	4.3
85.10188	10.5
87.04433	0.5
87.05061	0.5
89.06013	1.4
91.03967	3.6
91.04967	0.9
91.05487	11.6
93.07043	5.8
95.04366	0.7
95.04971	15.7
95.08608	16.1
97.02905	3.6
97.06498	0.5
97.10184	5.1
103.07570	1.2
105.04867	0.6
105.06398	0.6
105.07032	8.0
107.04967	4.1
107.08587	3.6
109.02856	0.7
109.06490	2.0
109.09454	0.5
109.10154	8.6
110.06093	0.6
110.64274	0.5
111.04412	1.8
111.08095	3.8
111.11692	0.6
115.05432	1.0
117.06994	1.2
117.17001	0.6
119.08582	8.0
121.06505	1.4
121.10141	4.1
123.04395	1.5
123.08048	0.9
123.11744	3.3
125.09658	0.9
127.03880	2.1
129.07014	6.8
131.08582	4.6
133.06476	1.8
133.10124	2.6
135.11623	0.8
137.09598	1.1
142.07755	1.3
143.08589	0.8
145.04919	1.6
145.10123	1.3
147.04372	1.0
147.08032	2.2
147.11676	5.5
147.20744	0.6
149.09595	2.6
157.10121	6.3
161.05956	0.6
163.06047	2.8
163.11104	1.0
165.12767	0.8
175.11214	6.0
180.56517	0.5
189.05458	0.7
193.12251	23.1
203.06827	0.5
207.73515	0.5
211.13295	1.4
223.13277	0.5
235.13281	1.7
239.23631	1.5
249.14847	1.8
257.24820	1.4
259.13251	1.9
267.15924	100.0
268.16226	1.5
273.14755	1.1
301.14270	1.4
309.16934	2.3
313.27368	95.2
314.27689	1.8
333.16812	0.5
450.62460	0.6
489.91101	0.5
499.58542	0.6
505.38904	80.5
506.39111	3.4
523.40100	1.9
547.39850	5.7
555.40771	1.1
565.40936	0.8
601.40906	2.9
613.40729	1.5
631.42285	1.4
649.43378	1.5
914.50708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.7
67.05509	46.7
69.03426	3.7
69.07072	13.2
71.01340	1.5
71.04986	2.2
71.08639	21.8
71.60113	0.9
73.02913	2.8
79.05046	1.0
79.05496	15.7
80.87697	0.6
81.03432	4.7
81.07063	25.7
83.05000	3.3
83.08623	16.3
85.02913	20.9
85.06532	1.9
85.10186	12.8
86.77760	0.6
87.04462	5.5
89.06039	2.0
91.03960	6.0
91.05475	6.2
93.07053	7.4
95.04967	2.7
95.08617	22.9
97.02898	7.4
97.06528	2.4
97.10174	18.6
101.06030	0.7
102.59851	0.6
103.02500	0.7
103.03970	1.2
103.07613	1.2
105.07039	2.4
107.04986	1.6
107.08602	9.5
109.02876	0.9
109.06560	0.9
109.10165	40.0
111.04447	1.2
111.08106	2.0
111.11716	0.8
117.07008	2.3
119.08601	4.0
121.10157	2.8
123.08056	0.7
123.11703	4.0
125.06035	0.7
125.09645	16.7
127.03941	2.7
129.07004	1.0
131.08574	2.2
133.10120	0.9
135.08075	1.0
135.11710	2.3
137.09589	1.8
143.10648	3.3
145.04950	2.1
145.10106	3.2
147.08090	1.1
153.12732	0.9
155.10667	2.0
163.06013	2.9
163.11125	3.7
173.09625	0.9
173.11732	9.7
181.12219	0.8
183.78786	0.6
189.11256	0.9
191.10646	1.6
199.13321	11.1
200.83655	0.6
209.11745	3.0
217.14346	1.1
223.13342	0.7
227.12810	10.2
229.14371	54.6
230.14590	0.7
239.23708	4.3
245.13902	0.9
257.13818	1.3
257.24774	1.6
267.15848	2.9
283.15390	4.3
297.16956	1.7
299.14798	1.0
301.16501	27.8
311.25818	1.6
313.27377	100.0
314.27817	3.8
319.17636	0.8
335.25937	3.6
341.26849	1.8
437.36301	5.7
455.37357	15.2
463.21631	0.9
467.37378	29.1
468.37546	1.0
489.35831	1.6
505.38928	1.5
521.38153	1.5
539.39429	16.2
557.39844	5.3
701.45477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32509	0.8
65.03938	1.8
67.05507	45.1
69.03422	2.6
69.07069	11.5
69.23932	0.7
71.01356	1.1
71.05000	2.3
71.08636	20.6
71.09010	0.7
71.59801	0.6
73.02902	2.2
79.05496	15.2
81.03407	3.7
81.07060	20.6
83.04993	3.5
83.08623	14.7
84.89425	0.9
85.02420	1.1
85.02908	18.7
85.06532	1.6
85.10183	11.9
87.04471	4.8
89.06024	1.5
91.03985	4.9
91.05476	6.1
93.07050	8.9
95.04952	1.9
95.08036	1.4
95.08609	21.7
97.02892	6.7
97.06524	2.4
97.10176	18.8
103.03942	1.1
103.07561	1.0
105.07029	2.4
107.04939	2.0
107.08614	7.6
109.06514	1.2
109.10159	38.1
111.04424	0.9
111.08070	1.8
117.07000	1.7
119.06073	0.8
119.08599	4.2
121.10124	3.1
123.11705	3.1
125.09642	14.4
127.03925	1.9
131.08577	0.9
133.10126	1.2
135.08000	0.9
135.11682	1.9
137.09608	1.3
137.13377	0.7
139.11169	1.0
139.98480	0.7
143.10693	3.9
145.04964	2.1
145.10091	2.2
153.09126	0.8
153.12758	1.2
155.10658	2.3
163.03894	0.8
163.06007	2.5
163.11198	2.0
173.11751	9.3
181.12323	0.8
191.10619	2.1
199.13303	9.4
203.45320	0.7
209.11739	2.9
223.13263	1.0
227.12819	6.1
229.14359	57.6
239.23799	4.2
247.91824	0.9
257.13864	1.5
257.24677	1.8
265.14392	0.7
267.15866	2.6
283.15384	4.3
297.17038	2.8
299.15073	1.4
300.15155	1.4
301.16452	27.4
302.17035	1.0
311.25961	3.9
313.27371	100.0
314.27719	3.4
324.98193	0.8
335.25760	2.8
341.26892	3.1
356.14136	0.8
437.36404	6.1
455.37424	14.4
463.22104	1.8
467.37350	32.6
468.37515	1.5
505.38748	1.1
521.38452	2.1
539.39447	17.7
557.39203	6.0
701.44434	2.1
916.53815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.491
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93858	0.9
67.05511	19.0
69.03431	6.5
69.07066	5.3
69.49576	7.2
69.49995	2.4
70.06580	2.6
71.04996	3.0
71.95907	1.2
72.08132	1.0
74.92056	1.1
79.05505	18.3
81.03423	47.2
81.07057	16.9
83.04990	5.8
83.08627	12.6
84.96138	1.2
85.02911	6.0
85.06533	2.0
91.05492	16.3
93.07053	14.6
95.04978	21.1
95.08640	9.1
97.02884	3.4
97.06515	5.0
97.10186	14.2
98.21507	1.8
99.00816	1.7
99.04452	1.3
105.07052	12.2
107.04979	11.8
107.08614	11.9
109.02884	2.0
109.06524	7.9
109.10130	6.6
111.04469	2.9
111.08072	4.1
115.03946	1.2
115.05463	1.7
117.07050	6.2
119.04952	3.8
119.08588	10.4
121.02854	1.6
121.06516	8.6
121.10178	9.6
123.04364	2.2
123.08091	2.9
123.11761	1.2
125.09639	11.1
127.03931	3.0
128.06238	1.3
129.07021	8.8
130.74286	1.1
131.04930	3.6
131.08591	12.7
133.06506	3.7
133.10127	5.1
135.08090	5.3
135.11711	1.3
137.05939	2.6
137.09647	1.7
141.06972	1.6
142.07750	1.6
143.08533	1.7
145.06490	6.5
145.10120	5.0
147.04379	5.1
147.08043	5.1
147.11684	6.6
149.05986	1.7
149.09621	4.4
153.09085	3.7
155.08545	1.6
157.10115	7.3
159.08087	3.2
159.11667	1.9
161.06030	1.8
161.09663	1.4
163.03915	3.0
163.11201	3.2
167.07069	2.6
171.08054	1.9
171.11586	1.4
173.09613	2.8
175.03912	3.8
175.07460	2.1
175.11183	7.0
177.05522	5.3
183.11749	1.4
187.11134	3.1
189.11232	6.3
189.12781	2.0
193.12257	18.0
199.11133	1.7
205.12273	1.7
207.06526	5.9
211.13329	2.5
213.12697	2.1
215.14383	3.0
217.12299	1.4
219.13792	1.4
223.13181	1.5
227.12761	2.8
229.84763	1.3
231.13821	2.0
233.15388	3.2
255.13818	3.7
259.09579	1.2
267.15933	46.9
268.16397	1.7
273.06100	1.7
273.14850	7.6
309.16449	1.4
339.23267	2.9
349.21548	4.8
367.22745	12.1
385.19229	2.1
385.23740	20.0
403.24939	7.2
441.26459	8.9
459.27454	100.0
460.27695	4.2
477.28534	91.9
478.28510	1.7
491.29984	11.7
501.28348	5.2
509.30731	5.1
531.29169	1.2
538.89838	1.2
543.29797	1.5
567.29791	5.4
585.30438	1.7
613.15112	1.3
637.34509	1.3
835.43781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.506
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.2
67.05509	43.9
69.03426	3.1
69.07063	10.6
69.27518	5.4
69.27946	3.8
70.06582	3.2
71.01353	1.6
71.04990	2.6
73.02906	4.2
79.05495	34.8
81.03414	5.0
81.07060	53.8
83.04993	4.8
83.08616	11.6
85.02913	13.6
85.06551	1.8
91.03967	7.2
91.05484	30.7
93.07050	42.8
95.01276	1.0
95.04966	6.2
95.08612	33.5
95.58530	0.9
96.04543	1.2
97.02889	9.3
97.06528	4.0
97.10153	3.8
99.00823	13.1
99.04453	1.1
103.05467	1.2
105.04520	1.1
105.06362	1.8
105.07033	23.8
107.04951	4.8
107.08602	24.5
109.02892	9.9
109.06525	3.5
109.10159	17.5
109.56873	0.9
111.04404	1.1
111.08083	3.7
113.05962	1.0
115.03934	2.6
117.07025	6.2
119.04936	1.1
119.08580	17.5
121.06503	7.0
121.10141	13.9
123.04398	1.8
123.08067	2.3
123.11732	6.5
125.09615	2.8
127.03912	6.3
128.06227	1.9
129.07007	2.2
131.08582	10.3
133.10136	41.2
135.08058	1.8
135.11722	12.8
137.13245	1.9
139.07549	2.8
143.08553	5.5
145.04971	3.4
145.06511	1.0
145.10123	5.8
147.11682	5.9
149.13269	6.3
151.11195	12.4
157.10167	1.0
159.08026	1.4
159.11670	5.4
161.09622	14.3
161.13246	3.9
163.05992	3.7
163.11165	1.5
163.14851	3.5
171.08051	2.4
171.11662	2.2
173.13309	5.3
175.14783	2.1
179.10672	8.6
187.14862	1.3
189.09117	5.6
197.11751	2.3
207.10188	2.9
220.07274	1.0
225.11203	11.3
233.22694	1.3
243.08534	1.2
243.12282	2.9
243.21149	7.8
259.20703	1.7
261.22150	24.0
277.21451	1.5
281.13864	3.7
281.82880	1.2
299.14905	86.2
300.15298	1.6
315.23132	2.0
317.24765	3.8
333.24557	1.4
335.25818	100.0
336.26010	2.7
449.30496	2.0
467.31491	5.6
469.29178	1.1
485.32486	3.1
513.35632	3.4
515.37042	3.6
523.34003	1.4
531.36688	3.7
541.35309	10.8
559.36322	56.4
560.36487	3.2
577.36945	3.3
884.09381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68623	1.5
65.03947	2.9
65.82740	1.2
67.05501	48.3
67.73093	1.3
68.42169	1.3
69.03397	2.9
69.07066	12.1
69.85248	1.3
70.06583	9.9
71.04984	3.7
71.60511	2.7
73.02916	4.3
79.05492	34.6
81.03413	6.9
81.07053	50.2
83.04966	4.8
83.08626	11.4
85.02907	11.1
85.06551	2.4
91.03966	7.2
91.05482	34.7
93.07040	49.4
95.01330	2.2
95.04958	7.1
95.08607	37.3
97.02897	10.8
97.06533	3.8
97.10184	3.2
99.00822	12.1
99.08096	2.2
99.47398	1.4
103.05453	2.1
105.07028	27.3
107.04962	4.5
107.08598	22.4
109.02870	8.0
109.06522	4.3
109.10151	24.9
111.04417	2.6
111.08078	3.3
117.07043	9.3
119.08579	15.6
121.06509	6.5
121.10142	18.7
123.08031	2.5
123.11718	8.6
125.09565	1.9
127.03912	4.3
129.06972	4.1
131.08572	9.7
133.06485	1.8
133.10127	39.0
135.08061	1.9
135.11688	12.6
137.09520	1.3
137.13211	2.5
139.07550	2.6
143.08560	5.0
145.04959	3.4
145.10130	8.2
147.08072	1.7
147.11679	8.3
149.13246	5.9
151.11201	11.9
157.10083	2.9
159.11699	6.1
161.09637	12.5
161.13245	3.7
163.05975	2.0
163.11266	1.9
163.14868	4.9
170.18245	1.5
171.08102	2.5
171.11696	1.6
173.13243	3.4
175.14836	3.3
179.10638	6.1
187.14885	2.5
189.09055	7.4
207.10143	3.1
222.89481	1.5
225.11191	10.5
243.12213	2.9
243.21199	7.3
261.22134	25.7
277.21530	1.7
281.13916	1.7
299.14896	86.6
300.15271	1.7
315.23083	2.1
317.24753	4.5
335.25790	100.0
336.25961	2.3
351.14471	2.4
425.18149	2.5
439.32004	1.7
443.19125	1.7
467.31583	3.9
485.32333	4.8
513.35974	2.4
515.37866	2.5
527.37256	2.1
531.36835	3.4
541.35394	12.6
559.36267	66.2
560.36548	2.3
577.37189	2.8
685.38989	3.5
703.39880	6.6
918.57788	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	919.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.1
69.03429	2.9
69.07059	0.9
71.01362	0.5
71.04984	0.6
71.08635	0.7
71.60132	0.5
71.68232	0.3
73.02915	2.4
79.05505	1.2
81.03420	2.6
81.07064	2.6
83.08625	0.9
85.02912	5.4
85.10188	0.6
85.44991	0.3
91.03977	2.0
91.05494	1.3
93.07054	1.0
95.04984	0.9
95.08597	1.7
97.02908	4.8
99.04473	0.8
99.27940	0.3
101.02367	1.5
103.03935	0.6
105.07046	0.8
107.08611	0.7
109.02894	0.8
109.06545	0.4
109.10172	0.4
110.20495	0.3
111.08076	0.4
115.03963	0.5
119.08587	0.7
121.10168	0.9
127.03921	1.8
131.08591	0.8
133.10141	0.5
147.11700	0.6
149.09669	1.3
151.11319	0.4
157.10173	0.7
165.12688	0.4
175.11249	0.7
185.04247	0.9
193.12326	1.1
203.05234	0.7
208.09364	0.4
225.14938	0.3
243.08545	1.2
267.15982	0.8
268.08810	0.3
283.15228	2.5
313.27518	0.6
318.72845	0.3
339.17953	0.9
347.09467	2.0
365.10733	0.8
405.13708	4.1
406.06982	0.3
469.20456	0.4
497.30884	4.3
501.23071	9.5
507.21991	0.4
557.68213	0.3
590.48059	0.3
659.36047	4.0
663.28369	8.2
757.47040	2.8
801.81219	0.5
872.82800	0.3
919.52374	100.0
920.52710	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	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.9
65.73830	0.8
67.05508	63.0
69.03424	4.9
69.07066	10.9
71.04632	1.6
71.04994	21.6
71.08612	0.9
73.02906	3.9
79.05496	33.9
81.03413	3.3
81.07061	92.6
82.07416	1.0
83.05003	4.3
83.08630	10.6
85.02910	12.5
85.06548	9.0
85.69713	0.9
87.04434	1.6
91.03965	7.0
91.05485	30.6
93.07051	41.8
95.04950	2.3
95.08608	27.9
97.02898	8.4
97.06553	4.6
97.10192	2.6
98.21509	2.4
99.04472	1.5
99.08114	1.6
105.07043	18.6
106.07368	0.9
107.04958	1.1
107.08602	25.0
109.02913	1.2
109.06516	2.1
109.10156	12.8
111.08057	2.2
115.05447	1.1
117.07047	5.2
119.08588	11.5
121.10140	16.8
123.08028	1.3
123.10907	1.4
123.11711	13.7
125.09639	1.1
127.03909	3.9
129.06987	1.4
131.08577	9.1
133.10143	20.3
134.98213	1.6
135.08043	1.2
135.11699	10.1
145.04945	2.5
145.10133	5.8
147.11690	4.9
149.13255	6.2
151.11169	6.7
153.12767	1.6
155.08568	1.0
157.10117	2.3
159.11728	6.1
161.13278	4.0
163.06020	2.4
163.14822	1.1
171.11757	2.1
173.13237	3.5
175.14915	1.3
177.12808	2.2
183.11726	1.2
183.13840	3.5
187.13315	3.7
187.14795	1.7
195.11655	0.9
195.13824	2.1
201.14789	1.2
227.16548	3.3
229.14331	1.3
243.15965	1.3
243.21039	1.6
257.17480	2.0
260.44827	1.0
261.22217	2.4
269.17508	6.5
301.20090	20.9
317.24631	1.3
327.23276	1.1
335.25803	19.9
384.95511	1.1
411.32504	1.9
437.34122	2.3
445.24146	1.6
450.43430	0.9
471.24692	1.6
472.25385	1.4
485.36121	4.1
503.37344	85.4
504.37613	3.6
506.03363	0.9
511.37592	2.7
517.38745	5.7
529.38928	28.5
530.39319	1.6
531.39783	0.9
547.39740	1.3
561.41534	100.0
562.41699	3.1
586.68658	0.9
705.44769	1.3
808.95215	0.9
920.47992	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	922.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.2
67.05506	70.0
69.03439	6.4
69.07063	17.7
71.01357	1.7
71.04999	3.1
71.08636	2.0
71.60342	2.5
73.02905	4.4
79.05494	59.7
79.72591	1.2
81.03419	93.1
81.07058	70.5
83.04993	6.5
83.08617	26.6
85.02909	9.9
85.06556	3.7
90.85344	1.2
91.03961	7.0
91.05482	40.5
93.06454	2.9
93.07045	59.7
94.07381	1.3
95.04974	34.1
95.08605	55.1
97.02896	7.4
97.06522	5.3
97.10178	10.0
97.82563	1.3
99.08078	1.7
103.03986	1.2
105.04512	1.8
105.07032	33.3
107.04982	7.8
107.08590	32.5
109.06512	5.8
109.10163	22.8
111.04430	2.0
111.08077	9.7
111.70210	1.3
115.03931	1.4
115.05489	1.9
117.07014	10.8
119.04942	2.0
119.08583	30.2
120.94264	1.3
121.06509	5.3
121.10151	28.4
123.04432	2.7
123.08054	3.7
123.11724	8.7
125.09620	5.4
125.14033	1.3
127.03924	3.4
128.06241	1.9
129.07019	12.3
131.04926	1.5
131.08569	24.1
133.06488	3.5
133.10127	19.5
135.08061	3.8
135.11685	18.2
137.09633	3.5
137.13274	1.7
142.07764	3.4
142.43239	1.3
143.08603	3.5
145.04958	3.5
145.10118	16.7
147.02522	1.4
147.04401	1.9
147.08037	5.3
147.11676	15.1
149.09645	8.3
149.13242	8.6
151.14845	1.3
155.08484	1.8
157.10103	13.5
159.11710	9.5
161.09651	2.2
161.13289	7.4
163.06013	5.3
163.11203	5.5
163.14821	4.2
165.12764	2.8
169.10114	1.2
171.11705	4.6
173.11847	2.0
173.13263	9.0
175.11185	10.6
175.14885	3.3
177.12762	3.5
183.11790	2.2
185.13290	3.3
187.14809	5.2
189.11201	4.2
189.12709	1.3
189.16347	1.5
193.12247	21.0
197.13153	1.9
199.14825	1.9
201.16362	1.8
205.15958	2.0
211.13222	2.3
227.12753	7.8
227.14618	1.4
233.15543	1.9
235.13171	1.9
243.21124	6.6
249.15009	1.6
259.13297	2.6
261.22156	20.5
267.15921	99.5
268.16229	3.3
271.45905	1.5
275.20093	1.5
279.23218	2.0
287.23541	1.6
301.25168	9.9
303.23175	2.5
309.16983	6.4
317.24731	4.5
333.24100	1.9
335.25809	100.0
336.26160	4.3
338.81921	1.3
363.25238	1.6
403.24628	2.1
411.20038	1.8
417.26068	2.0
417.31424	2.0
421.25925	2.6
435.27261	3.3
435.32629	7.0
449.28439	1.5
453.33704	12.5
461.28531	1.5
465.20947	1.5
471.34863	7.4
527.37323	78.5
528.37579	3.8
545.38367	83.0
546.38690	4.7
563.39001	4.2
569.38263	11.6
587.39923	2.2
623.39380	3.6
635.38794	4.6
653.39923	3.5
671.41510	2.9
922.48413	9.3
923.46338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.7
67.05506	35.3
69.03430	2.0
69.07068	11.0
69.25073	7.1
71.05006	1.0
71.08633	18.3
71.40279	0.8
73.02925	3.9
79.05496	20.5
81.07057	43.4
83.04990	1.0
83.08620	10.5
85.02908	14.9
85.06551	1.5
85.10185	11.7
87.61166	0.7
89.06043	1.3
91.03962	9.6
91.04955	1.1
91.05482	9.8
93.07048	24.5
95.05003	1.0
95.08607	40.9
97.02901	7.9
97.06557	1.6
97.10178	5.7
99.04468	1.2
99.08094	1.3
100.06776	0.8
103.07585	1.5
105.07027	8.4
107.07944	1.2
107.08602	15.0
109.10159	18.0
111.08086	1.1
111.11724	0.7
117.07012	3.6
117.09157	0.6
119.08579	8.4
121.10144	13.5
123.08070	0.8
123.11705	7.9
127.03893	4.4
131.08562	7.8
133.10127	5.6
135.11693	11.0
137.09590	1.0
137.13243	2.3
145.04950	5.2
145.10126	5.7
147.11700	4.0
149.13274	6.4
151.14720	0.9
159.11697	4.8
161.13220	3.9
163.06013	8.4
163.14862	2.7
173.13274	5.0
175.14883	1.4
177.16360	1.6
187.14806	2.1
201.16371	0.7
233.22641	0.9
239.23743	2.9
243.21092	9.6
257.24863	1.5
261.22144	36.4
301.74615	0.8
313.27365	100.0
314.27518	1.3
317.24701	7.1
318.25034	0.7
335.25809	80.1
336.26172	1.1
359.83823	0.8
374.71396	0.7
499.45313	1.1
573.48785	42.8
574.48853	1.7
591.49799	8.1
739.82361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.8
66.91721	1.0
67.05506	59.9
69.03411	3.8
69.07066	15.8
70.06586	1.7
70.83682	1.7
71.04985	5.0
73.02905	4.0
79.05495	49.9
81.03419	75.5
81.07056	60.9
82.07349	0.8
83.04980	6.7
83.08133	1.1
83.08623	22.3
85.02899	7.5
85.06521	2.4
91.03951	5.8
91.05479	35.6
92.66707	0.9
93.07044	50.4
95.04969	30.5
95.08608	49.0
95.09231	1.8
97.02877	7.5
97.06560	5.4
97.10175	7.7
99.08094	1.5
105.04498	0.9
105.07034	29.3
107.04968	6.9
107.08595	27.6
109.06520	5.2
109.09441	1.3
109.10153	20.7
111.04421	1.2
111.08082	6.9
115.05407	1.1
117.07037	9.7
119.04962	1.2
119.07780	1.8
119.08583	26.2
121.06490	4.2
121.10149	22.1
123.04448	2.4
123.08079	4.3
123.11701	7.1
125.09647	5.5
127.03896	1.9
129.06992	11.4
131.07578	1.1
131.08568	21.1
133.06476	3.7
133.09108	1.0
133.10127	16.4
135.08081	1.9
135.11699	16.5
137.09601	3.8
137.13242	2.8
142.07770	2.0
143.08505	2.5
145.04944	3.2
145.06529	1.2
145.10109	12.3
147.04373	1.4
147.08051	5.3
147.10626	1.2
147.11688	14.5
149.09610	6.1
149.13275	6.4
155.08510	2.0
155.22505	0.8
157.10133	11.4
159.11690	9.2
161.09612	1.1
161.13269	5.9
163.06055	4.3
163.07463	0.9
163.11180	2.8
163.14807	3.6
165.12730	1.4
169.10089	1.9
171.11714	2.6
173.13261	6.8
175.09927	0.8
175.11211	7.3
175.14815	2.6
177.12900	1.0
177.16330	1.0
183.11662	1.3
185.13274	3.1
187.14815	4.3
189.05486	1.1
189.11211	4.5
189.12732	1.4
193.12247	20.4
195.11681	1.0
197.13316	1.5
201.16409	2.0
205.12238	1.1
211.13280	2.0
218.72148	1.2
223.13193	1.0
227.12753	8.0
227.16550	1.2
230.16614	0.9
235.13219	2.5
243.21031	6.4
249.14870	2.5
259.13272	3.0
261.22153	22.3
267.15909	99.3
268.16376	2.0
273.14780	2.4
279.23196	1.5
283.24295	1.1
285.22137	1.7
301.14392	1.7
301.25201	6.9
309.16843	5.0
315.23184	1.2
317.16110	0.9
317.24686	4.3
319.15320	1.1
335.25797	100.0
336.26132	2.7
359.25873	1.5
393.18954	1.4
415.15762	1.0
417.31543	1.2
421.25793	3.8
435.27090	2.6
435.32535	5.4
449.29190	1.3
453.33682	9.2
461.28812	1.1
471.34750	6.2
491.35294	1.0
527.37335	72.6
528.37421	3.7
545.38391	67.2
546.38220	2.7
559.39929	1.9
569.38452	13.5
577.38428	1.0
587.39252	2.4
611.39093	1.7
623.38965	3.1
635.39313	3.6
653.40271	3.6
671.40698	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.6
69.03430	3.3
69.07053	0.4
69.87208	2.0
71.01340	0.7
71.04990	0.7
71.08643	1.0
73.02924	3.5
79.05502	1.4
81.03425	1.5
81.07064	2.3
83.08649	0.6
85.02911	5.7
85.10184	0.5
88.12697	0.3
91.03959	3.0
91.05493	1.2
93.07073	1.6
95.08615	2.3
97.02887	5.8
99.04468	0.7
101.02395	1.5
107.08627	0.6
109.02898	0.6
109.10179	0.7
115.03909	0.4
119.08579	0.4
121.10162	0.8
123.11773	0.5
127.03908	1.9
185.04295	1.0
203.05220	0.8
209.54495	0.3
243.08377	1.9
313.27353	0.6
339.34222	0.3
347.09460	2.2
365.10776	1.0
405.13712	5.6
497.30811	3.3
519.29248	4.6
659.36176	3.3
681.34515	5.9
775.53137	1.2
937.58582	100.0
938.58691	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	938.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	15.2
69.03429	11.4
69.07076	6.1
70.02138	29.0
70.06606	14.3
74.58112	5.7
79.05483	16.4
81.03409	24.3
81.05783	7.4
81.07060	10.2
83.05010	5.9
84.42952	5.5
85.02901	12.6
91.05473	34.7
93.07038	17.1
94.06561	27.2
95.04980	13.8
95.07355	19.9
95.08598	8.6
96.08138	34.4
97.02908	7.3
97.06521	7.2
99.04490	7.1
103.05441	6.6
104.04997	6.9
105.07009	9.7
108.04511	14.0
108.08128	56.4
109.02887	18.8
110.09688	61.2
119.04960	11.6
119.08578	9.5
120.08101	44.7
122.06017	18.0
122.09679	8.8
127.03933	10.8
132.04486	62.6
132.08087	7.6
134.05998	8.9
136.07597	27.8
137.05945	9.8
138.09142	76.7
145.10191	8.9
147.04399	23.7
148.07625	18.8
150.05522	7.7
150.09142	14.9
152.07074	9.4
160.03938	29.1
160.83638	6.0
164.07060	9.4
165.09085	8.4
166.08624	50.2
167.07094	9.4
174.09102	7.6
174.12605	7.7
177.05469	11.2
186.09175	8.1
197.05563	5.8
207.06509	13.2
208.02715	7.1
209.10866	7.2
211.08636	15.9
211.12312	7.2
213.10225	15.9
223.08667	10.7
225.10271	49.0
225.13800	8.0
226.08971	7.9
226.10936	33.1
227.11819	22.4
235.08807	10.8
236.09526	7.6
236.51944	6.1
237.10242	35.7
237.13867	8.0
238.10924	29.6
239.08163	23.4
239.09471	6.7
239.11800	95.8
240.12610	27.1
241.13452	10.9
248.09460	9.1
249.10347	18.4
250.10980	25.6
251.08258	17.8
251.11774	66.9
252.09183	10.6
252.12531	23.5
253.09807	36.6
253.13400	62.3
254.10539	29.1
263.11935	41.2
264.12616	12.5
265.10004	36.1
265.13327	80.7
266.10504	26.5
266.14047	10.1
267.11304	59.6
267.14240	8.4
268.11942	11.0
269.12833	7.8
271.10834	10.6
274.50922	6.5
277.09741	12.2
277.13257	8.2
278.10529	15.7
279.11237	44.2
280.12125	9.8
281.12836	86.2
283.10770	18.2
284.11380	6.7
285.12491	34.3
291.11243	22.1
292.11923	13.5
293.12881	43.7
295.11093	8.8
295.14377	6.8
296.11432	10.4
297.12308	23.2
298.13162	8.2
299.13940	40.3
299.26288	8.2
305.12659	9.5
307.10831	13.3
309.12390	59.7
310.13031	12.3
311.13828	42.7
313.15695	15.5
319.10873	10.0
321.12341	24.5
325.12128	7.5
327.13379	58.6
331.07849	8.2
337.11780	7.7
338.12595	8.4
339.13397	21.6
341.14954	49.4
343.13284	6.8
351.13434	6.6
353.15189	14.8
357.14474	11.8
369.14499	40.9
371.15973	20.1
381.14597	9.4
383.16003	10.0
402.17853	9.9
411.15527	24.0
412.16440	10.7
413.17044	10.6
425.16965	27.1
429.16553	13.3
432.19080	8.9
435.15466	20.5
437.17392	8.4
443.17944	30.2
453.16681	56.4
465.16711	11.0
467.18054	9.7
471.17728	44.5
474.20087	17.5
481.15637	9.2
483.17917	8.7
485.19263	18.6
492.21054	25.1
497.18982	10.9
513.18402	12.6
515.20184	29.0
522.22394	15.6
534.22266	25.0
556.20306	8.7
574.21906	24.0
586.21887	25.8
588.23468	44.3
592.22485	31.5
594.24268	17.1
600.23724	49.0
603.25500	17.1
604.22675	33.5
606.24310	76.2
618.24518	57.0
624.25635	95.2
631.24823	15.6
632.25995	15.7
636.25525	100.0
664.24152	7.5
675.28369	9.3
693.29059	27.8
703.28357	7.6
707.30225	38.1
721.28571	62.7
725.31799	83.8
735.29559	12.5
739.29083	22.1
743.32965	14.3
753.31299	77.3
757.30627	20.6
771.31866	19.3
785.29211	20.3
888.34857	11.0
944.74860	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	941.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62968	0.3
67.05509	8.0
68.05848	0.5
69.03440	4.0
69.07070	1.8
70.06605	0.7
70.71307	0.8
70.71661	0.5
71.01361	0.6
71.04997	1.0
73.02923	3.3
79.05495	3.6
81.03416	3.0
81.07059	4.9
83.05000	0.6
83.08631	1.3
85.02908	6.5
86.09705	0.5
87.04495	0.5
91.03961	4.2
91.05485	3.0
93.07045	3.5
95.04990	0.9
95.08601	4.0
97.02902	5.7
97.06551	0.6
97.10183	1.1
99.04458	0.8
101.02404	1.5
103.03969	0.4
105.07030	1.6
107.05004	0.4
107.08562	1.8
109.02896	0.7
109.10149	3.4
110.10509	0.5
119.08628	1.5
120.54380	0.4
121.10143	1.9
122.26258	0.4
123.11732	0.5
125.09661	1.1
127.03902	2.4
129.06999	0.5
131.08595	0.9
133.10159	0.9
135.11760	1.0
145.04941	0.6
145.10085	0.4
147.11717	0.5
149.09706	0.4
149.13219	0.5
173.11864	0.7
173.13335	0.4
181.12344	0.3
185.04269	0.7
193.12288	0.8
200.03438	0.4
201.03688	0.4
203.05359	0.6
207.35748	0.3
229.14374	2.8
230.14766	1.0
243.08319	2.2
267.09293	0.5
267.16055	0.6
283.15112	2.7
301.16577	1.1
302.16910	0.4
305.08987	0.4
331.06018	0.4
335.25729	0.4
337.27481	2.8
338.27829	1.7
347.09546	2.9
363.08899	0.5
365.10541	0.7
405.13681	6.5
469.20334	0.4
480.37854	0.5
492.37909	0.5
501.23007	4.3
519.29413	6.0
531.33911	0.4
663.28363	4.0
681.34564	8.9
682.35352	0.6
779.45990	1.5
815.64929	0.4
941.50800	100.0
942.51086	6.3
946.28772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	7.2
69.03436	11.5
69.07084	6.3
70.06590	8.1
71.27178	8.7
79.05489	10.7
81.03420	21.5
81.07035	7.5
83.05018	6.3
85.02896	12.2
87.32390	4.6
89.03913	4.7
91.05479	21.1
93.07047	13.1
94.06585	21.7
95.04974	8.4
95.07370	5.5
95.08611	9.2
96.08125	31.3
97.02889	6.6
97.06534	5.0
99.04449	4.3
103.05472	5.2
106.06555	7.5
107.07290	4.6
108.08122	66.8
109.02900	8.6
110.09708	37.3
113.70776	4.2
117.07039	5.1
119.04955	8.1
120.04499	10.2
120.08120	38.9
121.02859	6.0
121.06509	4.5
121.10148	6.2
122.06055	18.7
124.07609	19.6
127.03932	9.3
127.32728	4.4
132.08116	9.8
136.07596	62.0
137.02325	24.3
137.06055	7.7
138.09148	59.7
143.08632	5.2
144.04466	14.7
145.02835	7.1
146.06036	12.1
147.04459	15.1
148.07584	38.5
150.05498	4.9
150.09174	15.3
152.07080	31.4
155.03197	5.1
157.05147	4.3
160.07594	14.0
162.09193	5.7
164.07086	11.1
165.09090	5.9
166.08649	71.5
167.07036	9.6
172.03949	46.7
174.05539	4.3
175.03940	8.2
176.07178	6.9
177.05496	17.9
179.06921	4.7
181.05032	6.7
190.05023	22.6
191.07057	7.8
197.10661	10.0
198.11569	6.6
204.06592	52.6
207.06538	19.3
208.09770	9.3
211.12250	27.8
213.10149	5.9
223.08778	5.4
223.12291	16.4
224.09587	5.5
225.10231	24.1
225.13799	6.5
226.10997	15.0
227.11925	22.7
229.13464	6.7
235.12349	6.8
236.09517	7.1
237.10260	29.8
238.11014	13.4
239.11732	39.4
240.12601	10.8
241.13364	6.7
242.08168	5.7
244.09802	7.7
249.10295	16.1
250.11110	7.8
251.11804	61.7
252.12540	12.3
253.09769	16.9
253.13356	15.8
255.11272	13.1
261.10385	6.0
263.11734	36.4
265.09888	22.1
265.13412	24.7
266.10507	19.7
267.11206	50.5
268.11798	8.7
269.12921	14.0
271.14584	7.4
273.12360	7.6
274.10785	7.1
275.11902	6.2
277.09686	12.7
277.13348	6.9
278.10519	15.6
279.11319	72.0
280.12012	14.5
281.12762	23.0
285.12332	38.0
291.11179	27.9
292.11990	13.6
293.12885	18.0
293.21863	5.6
294.13431	5.8
295.10840	6.4
297.12378	37.4
298.12991	8.2
299.13806	15.3
303.11246	5.1
307.10855	7.4
309.12332	19.9
310.12814	28.9
311.13852	21.6
319.10745	16.9
321.12305	15.0
323.10394	8.2
325.11758	21.2
327.13510	13.7
328.14420	5.9
331.08112	8.4
337.11859	14.8
339.13559	9.0
357.14532	13.5
358.15717	5.0
360.17218	5.9
365.14908	6.0
369.14594	5.1
372.17191	6.5
381.14316	8.4
387.14645	5.5
395.16034	6.1
397.17749	5.6
400.16348	10.2
404.19601	8.8
411.15491	15.5
412.16824	10.3
413.17142	6.3
414.18378	6.8
423.15137	6.2
425.16956	7.6
429.16577	25.7
430.17621	12.0
431.18024	7.3
432.19189	10.0
433.19690	6.3
435.15466	8.4
441.16644	12.8
446.20624	6.8
453.16516	14.8
463.14810	12.1
464.15836	12.0
465.16403	5.7
469.16003	18.8
473.19171	6.5
481.16254	28.9
483.17450	5.9
484.17776	5.7
556.20569	9.3
572.23950	14.5
574.21802	15.3
586.21545	9.2
590.24493	7.0
592.22760	24.9
593.23578	11.7
594.24371	8.1
595.25287	5.8
604.22253	11.6
606.24103	13.4
616.22620	15.1
620.22247	8.2
634.14093	5.7
634.23975	73.4
635.24707	7.1
636.25739	13.5
666.25983	16.0
693.28595	6.3
703.27661	8.7
721.28717	40.7
739.29529	26.7
746.25031	10.7
747.26135	6.6
748.26489	21.9
757.30695	54.9
758.24847	12.2
770.25281	6.8
774.23938	5.3
788.26599	100.0
789.27460	16.3
790.27844	9.1
820.28723	27.3
821.29791	17.4
911.33624	38.1
943.35315	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	954.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	67.2
69.03420	3.0
69.06717	1.0
69.07076	16.6
70.80275	1.8
71.04999	1.5
73.02934	4.1
76.14832	0.7
77.03917	1.0
79.05501	47.6
81.03413	1.8
81.07063	67.2
83.04989	1.7
83.08622	8.9
85.02415	1.1
85.02910	18.8
85.06534	1.8
91.03962	10.4
91.05485	28.8
93.07054	49.1
95.04987	3.8
95.08617	54.0
96.08954	0.7
97.02906	9.4
97.06512	3.1
97.10195	4.2
99.04523	1.0
99.08085	1.2
105.07042	22.7
107.08603	24.4
109.06518	2.7
109.10168	19.5
111.08096	1.9
111.11748	0.8
115.05450	1.2
117.07028	10.6
119.08588	19.9
121.10156	23.5
123.08070	1.1
123.11719	9.3
125.09630	2.1
127.03945	5.2
128.06229	1.3
129.06984	2.4
131.08574	14.9
133.10138	13.9
135.11710	16.5
137.09613	1.2
137.13271	2.9
139.11153	0.9
143.08575	1.9
145.04945	5.6
145.10149	10.0
147.11696	12.6
149.09599	1.0
149.13249	9.5
151.14842	0.9
157.10158	2.2
159.11713	10.0
161.13254	8.7
163.06036	5.9
163.11107	1.2
163.14818	4.7
171.11688	2.2
173.13271	7.1
175.14851	4.3
177.16420	2.0
183.11575	0.8
185.13269	3.0
187.14787	3.9
189.16356	1.2
199.14857	1.9
201.16437	2.2
213.69901	0.8
215.17990	1.2
217.16031	0.9
217.19473	0.8
219.17593	0.9
225.39377	0.7
231.17590	0.9
231.21014	1.3
233.22548	0.8
241.19490	4.6
243.21045	5.8
245.22729	1.1
259.20554	8.7
261.22153	20.6
263.23730	2.1
273.22018	0.8
279.23465	0.9
287.23798	1.0
289.25073	0.7
313.25403	0.9
315.23401	1.0
317.24905	3.7
333.24191	10.0
335.25827	100.0
336.26349	2.3
337.27429	14.5
435.30579	0.8
439.93591	0.8
451.35846	1.0
503.43234	1.0
521.43567	3.1
531.81482	0.9
539.44678	1.6
543.40491	1.3
595.47217	16.8
613.38757	1.4
613.48285	23.1
954.57922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	62.1
69.03414	2.4
69.07072	15.2
69.50122	0.9
71.04998	3.1
71.20804	2.1
73.02908	5.0
79.05495	41.1
81.03413	1.7
81.07057	64.3
81.96277	1.1
83.05009	1.7
83.08617	7.6
85.02902	16.6
85.06557	2.0
90.17969	1.0
91.03960	12.2
91.05476	26.9
93.07047	50.4
95.04962	2.5
95.08607	47.4
95.09224	2.2
97.02886	10.1
97.06535	3.7
97.10165	3.4
99.04408	1.5
99.08073	1.6
105.04510	1.7
105.07034	21.9
107.08592	25.3
109.06516	2.3
109.10152	23.2
111.08115	1.2
113.09678	1.4
114.42993	0.9
115.05457	1.6
117.07020	8.9
117.45128	1.1
119.08588	16.8
121.10146	24.4
123.08043	2.0
123.11686	8.6
127.03909	4.6
129.07043	2.3
131.08582	15.4
133.10138	14.9
135.11696	15.7
137.09682	1.0
137.13237	2.8
139.11244	1.7
143.08530	2.2
145.04982	6.4
145.10117	10.5
147.11696	11.3
149.09598	1.4
149.13251	9.8
151.11186	1.1
151.14870	1.1
157.10162	2.8
159.11676	11.1
161.13290	8.3
163.06039	8.0
163.11205	1.6
163.14745	5.3
169.10115	1.3
171.11667	3.3
173.13252	10.5
175.14813	3.6
177.16350	1.7
185.13274	3.1
187.14835	4.6
189.16397	1.7
199.14832	2.3
201.16455	1.6
225.16426	1.3
231.21199	1.7
241.19501	4.4
243.21057	6.7
259.20499	8.8
261.22137	18.7
261.24756	1.3
263.23727	1.3
275.20157	1.2
296.89548	1.0
305.15143	1.0
315.23087	1.4
317.24670	4.4
333.24197	7.3
335.25806	100.0
336.26044	2.5
337.27377	14.0
355.30374	1.2
411.32922	1.1
503.36368	1.2
521.43457	3.6
539.45343	1.1
595.38403	1.8
595.47327	20.6
596.47522	1.7
613.48279	19.2
954.57037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	95.5
67.60788	1.3
67.61160	1.3
69.03420	3.9
69.07073	35.4
69.39159	3.8
69.39585	7.4
71.08634	2.2
73.02919	7.6
79.05050	2.3
79.05499	47.7
81.03440	1.9
81.07059	100.0
83.04980	2.4
83.08617	16.7
85.02897	24.2
85.06535	2.7
91.03963	15.6
91.04958	2.0
91.05485	28.6
91.80778	1.2
93.07048	58.9
95.04959	3.8
95.08610	78.8
96.08918	1.3
97.02901	12.3
97.06525	5.6
97.10169	7.6
99.04435	2.6
99.08092	1.9
105.06379	1.6
105.07034	21.9
107.08600	32.0
109.06499	1.2
109.09446	1.9
109.10161	31.5
111.11720	2.6
115.03852	1.2
115.05432	1.4
117.07003	7.1
119.08585	19.8
121.10152	26.6
123.11702	14.9
127.03912	6.8
129.07008	1.8
131.08611	12.1
133.10126	16.8
135.11708	19.5
137.13237	4.7
145.04987	7.5
145.10132	10.3
147.11697	12.5
149.13274	11.5
151.14743	2.3
157.10069	1.8
159.11726	11.0
161.13258	8.4
163.06053	7.4
163.14847	6.3
165.16415	1.4
171.11670	2.4
173.13287	8.5
175.14774	4.3
177.16331	2.7
187.14848	3.7
189.16385	1.5
199.14867	1.6
201.16400	1.9
215.17744	1.4
233.22655	2.9
243.21086	6.8
245.22607	2.8
259.20587	5.4
261.22156	23.8
263.23694	5.5
269.06290	1.3
317.24612	4.7
333.24203	5.2
335.25803	69.9
336.26144	2.3
337.27386	80.0
338.27783	2.0
339.28848	7.7
343.29880	1.6
351.46725	1.6
410.63821	1.3
523.45032	3.6
597.48877	32.7
598.48889	2.2
615.49841	40.5
616.50360	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	961.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	3.0
69.03438	3.4
69.07074	1.0
69.54496	3.5
70.94859	0.5
73.02922	3.0
78.06270	0.4
79.05504	2.0
81.03411	1.4
81.07052	2.9
83.08625	0.5
84.87463	0.5
85.02922	4.0
91.03951	3.2
91.05502	1.0
93.07065	1.5
95.08602	2.5
97.02901	5.0
99.04440	0.9
100.78114	0.5
101.02399	1.4
105.07104	0.6
107.08612	1.0
109.10207	1.0
115.03950	0.5
121.10153	0.6
123.11769	0.8
127.03962	1.2
185.04214	0.9
194.86667	0.6
203.05246	0.8
243.08563	2.0
250.99048	0.6
277.40613	0.5
335.25854	0.8
342.30640	0.5
347.09732	1.9
365.10977	0.9
365.27521	0.5
405.13620	3.2
459.22119	0.6
510.46634	0.6
519.29297	2.5
521.30902	2.5
637.02435	0.6
681.34363	4.9
681.42786	0.5
683.36145	3.0
961.58612	100.0
962.58685	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	963.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01820	0.1
67.05502	0.1
68.99789	0.2
69.03396	0.2
70.06581	0.2
71.05003	0.8
71.60873	0.2
75.04463	0.1
77.03895	0.1
77.82165	0.1
79.05499	0.7
81.03383	0.2
83.04952	0.1
85.02910	1.7
91.05493	0.7
94.04156	0.2
95.04917	0.3
97.02833	0.3
97.74442	0.1
99.04479	0.1
103.05425	0.5
105.07033	4.3
107.04959	1.6
107.08541	0.2
109.02847	0.2
115.05436	0.4
117.06977	0.2
119.04958	0.8
121.02820	0.3
121.06479	0.1
121.10132	0.1
122.03606	0.4
127.03938	0.1
128.06146	0.2
129.05420	0.3
131.04877	0.4
133.06497	12.8
135.04372	0.2
137.05003	0.2
137.05991	3.4
139.03931	0.1
144.05717	0.2
145.02837	0.2
145.04892	0.1
145.06468	0.2
147.04419	1.4
149.06012	0.2
151.03854	0.3
153.01837	0.9
154.02644	0.2
157.06488	2.2
159.04381	0.2
160.05176	0.1
161.05943	0.2
163.03909	0.2
165.09015	0.1
167.07024	0.4
171.02965	0.3
171.04312	0.2
172.05162	0.3
175.02466	0.2
175.03912	2.6
175.07512	0.4
177.05421	0.3
178.02577	0.2
179.06999	0.4
181.04924	0.3
187.07544	1.9
189.05431	0.2
191.07002	0.5
193.04958	0.3
201.05452	1.1
203.06978	0.7
205.04909	0.2
206.00330	0.1
207.06465	0.7
207.08109	0.5
213.05493	0.2
218.07350	0.2
219.06390	0.1
219.08162	0.7
223.07611	0.1
229.05005	0.1
231.06471	0.5
234.06778	0.3
235.07623	0.6
236.08250	0.2
241.04878	0.3
241.08600	0.2
242.05698	1.3
246.06615	0.1
247.07512	0.9
248.08272	0.2
249.09169	0.4
252.07776	0.3
253.04915	0.2
253.08754	0.1
255.06549	0.7
256.07266	0.3
258.05258	1.3
261.09113	0.1
262.06238	0.3
263.06970	0.4
264.07816	0.4
265.08606	0.2
266.05753	0.1
267.10184	0.5
269.04535	0.3
270.05237	7.2
271.05786	0.3
273.03882	0.9
275.07111	0.2
276.07797	0.3
277.08575	0.4
279.06760	0.1
279.10120	0.7
280.07480	0.3
281.08102	0.2
281.11682	0.2
284.06641	0.2
285.03891	0.2
285.07129	0.2
286.04675	1.1
287.05496	2.9
287.08704	0.1
289.08716	0.1
292.07318	0.4
295.09628	3.8
296.10159	0.1
298.04974	0.1
299.05423	0.9
301.03439	2.0
302.04187	2.5
307.09680	3.4
311.05505	0.2
313.03473	0.8
315.04987	29.5
316.05728	4.0
325.10699	2.9
329.06534	0.6
330.06982	0.1
331.08121	100.0
332.08475	1.9
355.07803	0.1
368.97595	0.1
369.12122	0.1
373.09158	0.3
491.12973	0.1
493.13409	1.1
637.17328	0.2
639.18945	0.3
655.18164	9.9
656.18408	0.3
817.23120	0.5
913.56592	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	964.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	53.0
69.03453	6.9
69.07074	18.5
71.04990	4.1
71.08279	2.2
71.08634	29.1
71.60137	1.4
73.02908	3.6
75.13889	1.3
79.05493	33.1
81.03440	9.6
81.07057	56.2
83.04990	8.9
83.08630	15.5
85.02907	13.0
85.06535	2.8
85.10184	17.1
89.06008	2.0
89.40199	1.3
91.03949	4.8
91.05477	28.9
93.07049	42.5
95.04983	8.4
95.08609	46.8
97.02890	9.3
97.06528	8.7
97.10176	11.5
99.04457	2.2
99.08073	2.1
99.11702	2.3
104.22838	1.5
105.07028	21.2
107.04948	5.6
107.08589	23.1
109.02874	3.2
109.06510	5.9
109.10155	20.8
110.09580	1.4
111.04441	1.9
111.08065	3.4
111.11702	2.0
115.05478	1.7
117.07020	12.9
119.08591	20.5
121.06522	3.8
121.10143	11.9
123.08041	4.7
123.11708	5.7
125.09597	3.1
127.03914	5.1
129.06985	5.9
131.08566	17.4
132.34251	1.4
133.10117	17.1
135.08064	3.2
135.11687	10.0
137.09598	3.2
137.13257	2.5
141.06987	1.6
143.08589	3.7
145.04971	4.0
145.10135	12.0
147.11670	6.6
149.09645	8.3
149.13242	8.6
151.11215	1.7
157.10104	5.1
159.11678	9.7
159.13795	1.4
161.09529	1.9
161.13243	3.3
163.11159	3.8
165.12813	1.7
169.10153	1.8
171.11671	3.4
173.04448	3.7
173.09329	1.4
173.13239	2.1
176.02829	1.7
176.31180	1.4
177.12807	3.5
179.14342	2.5
185.13268	2.3
189.11104	1.8
189.16380	2.0
195.13821	3.6
217.15823	4.4
219.17511	2.5
227.12804	5.6
229.14322	8.1
239.17987	2.3
239.23685	3.5
247.20520	2.7
255.15746	7.1
257.19083	7.9
257.25009	1.7
267.15805	1.7
269.17505	28.5
275.20081	22.6
279.86694	1.4
291.19495	1.9
293.20850	3.1
303.15848	1.5
309.20630	6.4
313.27365	100.0
331.22720	3.3
349.23703	30.5
367.24832	4.9
413.21762	3.0
441.03186	1.7
467.37604	8.0
493.38965	14.5
507.40451	77.7
508.40628	2.1
521.41791	1.8
547.36121	2.0
547.43604	20.3
587.46698	41.2
605.47925	11.2
651.44727	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	968.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05177	1.3
67.05507	25.8
69.07076	6.4
71.60036	2.3
79.05492	19.8
81.03429	2.2
81.06635	2.0
81.07059	24.6
83.04986	2.8
83.08628	3.4
91.03947	1.1
91.05486	22.5
93.07047	25.6
95.04970	1.8
95.08611	20.0
97.06528	4.3
97.10159	1.3
99.04456	1.4
105.07029	19.5
105.08415	1.2
107.04961	3.5
107.08601	11.5
109.06518	3.9
109.10149	7.1
111.08083	1.6
117.07022	6.0
119.08589	14.7
121.10132	9.2
123.08095	3.1
124.08263	1.2
131.08563	9.7
133.10127	12.5
135.08037	1.9
135.11690	5.7
137.09631	1.4
145.10124	8.3
147.11678	5.3
149.09660	2.2
149.13261	1.6
157.10150	1.6
159.11679	5.9
161.13216	2.0
163.11162	1.4
173.13237	2.3
177.12772	1.6
179.14236	1.9
201.16360	1.8
219.17441	55.0
230.44576	1.4
245.44989	1.2
257.19101	2.1
275.20081	15.2
307.66391	1.1
335.25806	45.3
335.29892	2.2
337.82410	1.3
349.23721	14.5
609.45160	100.0
610.45374	4.1
870.49329	1.4
969.55182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	4.1
69.07068	19.0
69.63453	13.6
71.05013	5.4
73.02909	5.4
79.05495	81.0
81.03402	4.1
81.07062	92.1
83.04983	4.7
83.08611	11.3
85.02906	18.0
85.06545	5.7
90.74344	2.3
91.03974	11.9
91.05483	85.7
93.07050	98.0
95.04977	10.7
95.08611	76.2
97.02876	12.2
97.06538	5.8
97.10161	5.2
99.08112	3.5
104.18462	2.4
105.07036	82.7
107.08600	52.5
107.09285	4.4
109.06525	2.8
109.10163	33.6
111.08084	3.9
115.03960	2.3
115.05467	4.2
116.06316	2.2
117.07025	26.1
119.08587	65.4
121.10144	46.8
123.08086	4.7
123.11713	9.9
125.09611	2.7
127.03917	5.4
129.06984	12.2
131.08566	30.0
133.10136	51.3
133.11069	4.2
135.11710	27.3
137.13245	4.0
141.11343	2.2
143.08586	11.5
144.09363	2.3
145.04970	5.5
145.10139	33.0
147.08015	3.8
147.11679	46.8
149.13268	16.6
155.08569	3.8
157.10117	12.2
159.11703	27.0
161.09601	2.4
161.13271	29.5
161.44870	2.4
163.06062	9.9
163.11221	4.4
163.14874	6.5
169.10114	4.6
171.11723	16.2
173.13242	16.1
175.14775	13.6
183.11714	5.3
185.13290	12.7
187.14833	6.2
189.16441	3.6
195.11574	2.4
197.13213	4.4
199.14886	8.4
201.16385	2.5
209.13278	3.2
211.14790	2.9
213.16376	2.3
215.18048	2.9
217.19576	2.4
229.14221	2.2
231.21120	5.6
239.17961	6.2
241.19525	28.1
257.19034	11.2
259.20596	64.0
260.21060	2.6
261.22147	12.2
275.20276	3.7
277.21497	3.3
313.21414	2.6
315.23227	8.0
333.24240	64.2
333.28165	3.8
335.25836	100.0
337.27405	6.4
351.25870	2.3
367.22961	3.6
519.41858	9.9
537.42761	2.6
541.39899	2.8
593.45911	18.0
611.46759	95.9
612.46887	5.2
701.47369	4.9
719.49115	3.5
737.49323	3.1
755.51160	3.5
757.44934	2.5
839.44293	2.7
970.55969	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	970.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	5.4
69.07079	11.2
71.05003	2.9
71.08624	1.8
71.61489	1.7
71.61864	1.6
73.02930	5.1
79.05501	46.4
79.05955	2.8
81.03439	5.0
81.07065	58.8
83.04986	2.5
83.08614	8.3
85.02911	12.4
85.06564	3.1
91.03970	7.0
91.05486	40.0
93.07052	52.3
95.05013	5.4
95.08610	40.2
97.02911	9.7
97.06560	3.7
97.10201	3.1
99.04485	2.7
99.08138	2.6
105.04540	1.5
105.07040	32.5
107.08596	28.3
109.06548	4.6
109.10170	19.1
111.08105	1.9
117.07025	10.7
119.08591	25.0
121.10153	20.6
121.32655	1.5
123.08107	2.2
123.11748	4.7
125.09737	1.7
127.03991	4.7
128.06212	1.8
129.07060	5.5
131.08582	17.9
133.10139	19.6
135.11713	14.0
135.12531	1.3
136.11421	1.3
137.13202	1.7
143.08617	5.7
145.05096	1.6
145.10130	15.0
147.11700	15.3
149.09686	1.6
149.13251	8.1
155.08611	1.8
157.10182	4.4
159.11717	10.9
161.13287	8.5
163.06039	1.5
163.14911	4.9
171.11736	5.6
173.13315	6.8
175.14906	4.3
181.10062	1.5
185.13371	3.6
187.14938	6.2
199.14922	2.4
200.51833	1.7
201.16507	1.8
205.15964	2.5
228.12621	1.3
231.21097	1.8
241.19536	6.5
243.21118	2.1
257.19189	2.2
259.20621	18.7
261.22150	6.3
275.20062	1.7
277.21701	12.9
293.21390	2.3
295.22842	1.9
317.25018	1.7
331.22989	1.7
333.24207	14.6
335.25821	73.3
337.27588	1.7
347.09576	1.8
351.25351	27.5
351.29379	1.4
372.37619	2.0
405.13962	3.4
406.14294	1.7
497.30682	2.0
498.31317	2.1
519.41766	1.5
529.39227	3.3
551.28351	2.1
552.29272	2.6
591.32910	1.6
593.45343	3.8
611.46747	39.7
629.48511	1.5
660.36969	3.6
714.33960	2.2
834.77936	1.6
969.58350	2.6
970.58063	100.0
971.58337	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	975.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	3.1
69.07060	0.4
70.12019	1.5
71.01337	0.4
71.04969	0.4
73.02917	2.5
79.05490	2.4
81.03437	1.2
81.07051	2.6
85.02913	3.6
91.03965	2.0
91.05501	1.4
93.07068	2.3
94.43921	0.5
95.04979	0.5
95.08608	1.5
97.02906	3.9
97.05970	0.4
97.06537	0.5
99.04509	0.5
101.02368	1.9
105.07051	1.1
107.08605	1.3
109.02932	0.3
109.10159	0.7
117.07048	0.4
119.08642	1.0
121.10165	1.0
121.51320	0.3
127.03942	1.1
129.07112	0.4
131.08591	0.5
133.10201	0.8
135.11745	0.4
145.04977	0.4
147.11632	0.3
185.04254	1.1
203.05305	0.8
205.72565	0.4
243.08450	1.7
259.08020	0.4
335.25784	0.7
347.09399	2.3
363.09329	1.1
365.10535	0.6
405.13696	6.0
463.14679	0.7
465.21082	0.4
470.27585	0.3
477.15829	0.5
519.29340	4.4
535.16217	0.5
535.28741	2.3
681.34589	7.0
691.40381	0.8
697.34271	2.3
813.51251	0.8
975.56537	100.0
976.57117	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	984.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	7.6
69.07071	19.9
71.05000	1.8
71.59908	0.8
73.02919	1.2
79.05496	33.7
81.03419	7.0
81.07059	37.8
83.04977	3.8
83.08620	8.1
85.02908	4.1
85.06541	1.4
91.03958	1.5
91.05483	23.3
93.07046	33.7
94.07348	0.8
95.04977	7.9
95.08611	22.9
97.02895	9.8
97.06530	3.6
97.10170	8.2
97.10740	0.6
99.04439	1.0
99.08065	0.8
105.04550	0.9
105.07037	14.1
107.04961	5.8
107.08598	19.2
109.06529	2.3
109.10160	12.1
111.04462	1.2
111.08089	2.3
115.05524	1.2
117.07037	6.9
119.04984	1.0
119.06104	0.7
119.08587	13.1
121.06512	2.9
121.10151	12.7
121.91457	0.7
123.04434	0.9
123.08086	2.1
123.11704	3.5
125.09650	6.9
127.03979	1.2
129.07025	3.2
131.08575	9.9
133.06528	1.9
133.10138	7.6
134.07297	1.1
135.08069	3.3
135.11694	6.6
137.09653	2.1
141.07037	0.7
143.08562	3.0
145.05003	0.6
145.06532	0.8
145.10123	7.8
147.08038	4.8
147.11711	4.8
149.09613	1.7
149.13298	3.0
157.10159	2.6
159.11737	4.4
161.09636	2.0
161.13268	2.4
163.11206	2.2
163.14845	1.7
165.09166	2.0
171.10318	1.0
171.11725	1.8
173.09651	1.0
173.13365	2.3
175.11176	1.5
177.12628	0.9
181.12289	0.6
185.13298	0.9
187.11284	0.8
187.13251	0.7
187.14874	1.6
189.11264	2.4
193.12218	1.4
205.12300	2.0
211.13353	0.9
215.14214	0.7
223.13322	15.1
227.12796	3.5
233.15523	0.7
243.21150	2.9
245.13878	0.7
245.19031	0.8
249.14972	2.0
261.22153	6.7
267.15997	1.8
273.18527	10.7
291.19543	77.8
292.20038	1.2
317.24811	2.7
335.25812	73.6
336.26196	1.9
347.22208	1.8
365.23236	43.7
366.23624	0.9
453.33911	0.7
477.28186	0.9
505.35129	0.7
527.37817	0.7
545.38361	4.2
607.43695	2.8
625.44647	100.0
626.45154	6.3
689.41400	0.8
727.22919	0.8
751.00256	0.7
787.50323	0.7
945.95032	0.8
984.55707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	6.3
69.06715	1.4
69.07070	23.2
69.75897	0.9
70.27469	2.2
70.27861	1.7
71.04985	4.6
73.02897	2.6
77.03933	1.8
79.05492	57.3
80.05830	0.9
81.03422	9.9
81.07056	67.1
83.01350	0.8
83.04978	6.4
83.08622	12.3
83.87154	0.8
85.02905	11.2
85.06541	2.9
88.86739	0.8
91.03947	3.8
91.05480	45.9
93.07044	59.0
94.44662	0.9
95.04967	8.6
95.08608	46.5
97.02879	6.5
97.06535	9.4
97.10159	8.4
99.04436	1.1
99.08082	2.2
103.05453	0.9
105.04521	2.0
105.07035	33.1
107.04971	3.9
107.08595	37.2
109.02899	1.0
109.06530	4.9
109.10161	29.0
111.04403	1.2
111.08081	3.5
113.09627	0.9
115.05431	2.3
117.07020	16.0
119.08586	26.1
121.06516	1.3
121.10151	26.1
123.04381	1.1
123.08070	3.7
123.11684	5.8
125.09627	8.6
127.03919	4.4
128.06233	1.3
128.30322	1.0
129.07011	5.0
130.07755	1.5
131.08563	21.7
133.06500	1.2
133.10129	20.0
135.08073	3.2
135.11694	16.1
137.09612	3.6
137.13237	1.7
139.11166	1.4
141.06978	1.3
142.07837	0.9
143.08569	4.7
145.04947	2.9
145.06393	0.9
145.10129	19.4
146.10481	0.8
147.08025	1.9
147.11693	13.9
149.09624	9.3
149.13258	10.0
151.11203	1.4
153.09106	0.9
154.07610	0.8
155.08524	2.1
155.10677	2.1
157.10135	5.6
159.08034	1.0
159.11699	12.3
161.09659	1.2
161.13240	7.6
163.06036	1.3
163.11200	5.2
163.14824	3.2
165.09091	0.8
165.12801	1.1
168.48979	0.9
169.10135	2.6
171.10426	1.0
171.11671	5.2
173.04454	2.9
173.11726	3.3
173.13254	8.1
175.11148	1.2
175.14810	2.2
177.12755	2.6
179.14305	2.5
183.11708	4.0
185.13268	4.1
187.14841	2.8
189.11244	3.3
189.16339	1.5
195.13791	1.9
197.13210	2.7
199.14848	2.4
201.16429	1.7
205.15863	0.8
209.13281	0.9
213.12601	1.2
213.16386	1.1
217.15964	1.5
219.17467	2.0
227.12761	10.6
229.14355	12.9
229.19641	1.5
235.16930	1.8
239.18019	1.6
241.19504	1.7
243.21109	3.7
247.20630	2.1
255.15906	2.5
257.18970	7.9
259.20578	2.6
261.22156	12.7
267.15973	1.9
269.17422	10.6
275.20078	26.6
277.21509	1.4
291.19510	1.2
293.21069	2.8
299.23654	1.1
309.20633	3.8
313.21613	1.4
317.24680	3.6
331.22617	2.4
333.24207	3.0
335.25803	100.0
336.26169	2.7
337.27502	1.0
349.23712	30.4
350.24033	1.2
351.25403	1.3
367.24713	2.2
413.21661	1.0
489.35614	14.8
503.37857	1.0
505.35190	1.9
513.39417	1.2
515.37354	9.3
517.40308	0.9
529.38916	38.0
530.39417	1.9
543.40369	2.6
569.42029	13.5
609.45135	45.8
610.45209	2.6
627.46185	12.6
673.42737	1.2
751.27362	0.9
771.49780	1.3
863.00745	0.9
986.56860	1.4
987.52667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	4.9
69.07070	19.9
69.56088	1.5
69.56504	4.9
71.04993	3.7
73.02909	2.2
79.05495	51.0
81.03416	6.2
81.07059	62.0
83.05006	7.0
83.08621	11.9
85.02908	7.9
85.06536	2.4
91.03941	3.8
91.05480	43.0
93.07048	53.1
95.04974	12.5
95.08607	42.1
95.09229	2.2
97.02887	6.4
97.06533	9.2
97.10170	7.8
98.21381	1.8
99.08098	2.3
105.04537	1.2
105.07036	33.5
107.04961	4.6
107.08601	39.4
109.02897	1.6
109.06519	5.3
109.10153	19.2
111.04451	2.5
111.08082	3.6
113.82778	0.9
115.05441	1.2
117.07033	14.2
119.08578	26.9
121.06523	2.7
121.10147	24.1
123.08050	3.6
123.11723	4.3
123.57415	0.9
125.09634	8.2
127.03895	3.8
129.07007	5.2
129.54601	0.9
130.07800	1.3
131.08560	17.4
133.10130	18.4
135.08070	3.5
135.11697	15.0
137.09654	2.9
141.06935	1.3
142.21533	1.1
143.08565	4.4
143.10503	0.9
145.04968	2.4
145.10129	20.9
147.08054	1.3
147.10620	1.3
147.11703	13.4
149.09598	8.5
149.13260	7.2
151.11217	1.3
155.08574	2.8
157.10132	5.2
159.11690	11.5
161.09599	1.3
161.13301	6.2
163.11197	6.6
163.14783	3.0
165.12756	2.0
169.10147	2.7
171.11717	5.2
172.08665	0.9
173.09601	1.4
173.11827	1.8
173.13206	8.7
175.11136	1.3
175.14851	2.5
177.12656	1.9
183.11754	3.3
185.13274	4.7
187.11328	1.6
187.14749	2.3
189.11218	4.2
189.12679	1.1
189.16487	1.1
193.12218	1.1
197.13336	2.5
199.14795	3.2
201.16335	2.0
209.13287	1.2
219.17590	2.7
221.53918	1.0
223.13240	3.6
227.12744	7.1
229.14285	1.9
233.51791	0.9
239.17976	2.2
241.19461	1.0
243.21066	2.6
247.20326	2.0
255.15912	1.0
257.19009	9.9
259.20599	4.1
261.20056	0.9
261.22247	9.2
267.15964	1.6
269.17358	4.7
275.20081	33.3
291.19385	1.2
293.21228	6.5
309.20477	1.7
317.24722	2.1
331.22482	3.2
333.24289	3.4
335.25803	100.0
336.26099	3.0
349.23740	33.8
351.25232	1.5
367.24805	8.0
435.94635	1.0
471.42752	1.1
489.35751	3.0
505.35077	3.0
515.37280	7.4
517.39691	1.5
529.38959	17.6
569.42010	7.1
609.45129	62.7
610.44910	2.3
627.36469	1.8
627.46198	26.9
649.39374	1.3
753.49048	1.2
987.58057	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	989.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.6
69.07068	1.3
69.87061	1.1
69.87467	1.0
71.08648	0.4
73.02906	2.5
79.05490	4.7
81.03430	1.6
81.07056	5.5
83.04965	0.7
83.08645	0.9
85.02897	4.6
86.30647	0.4
91.03943	2.3
91.05497	2.9
93.07045	4.3
94.07373	0.4
95.04982	0.9
95.08607	3.7
97.02891	3.6
97.06521	0.4
97.10162	1.2
99.04468	0.5
101.02376	1.2
105.07034	2.4
107.08597	2.2
109.02895	0.8
109.10174	2.3
119.08590	1.9
121.10164	1.1
123.08089	0.5
125.09676	0.9
127.03947	1.8
131.08606	1.0
133.10173	1.0
135.11734	1.1
145.10188	0.8
149.13327	0.4
185.04272	0.7
189.11285	0.7
203.05299	0.9
227.12852	0.6
229.14415	0.9
243.08377	2.1
261.22479	0.6
267.77444	0.4
277.21729	0.5
331.18909	0.9
335.25763	3.0
336.26395	1.5
337.27359	0.5
347.09390	1.9
351.25323	0.7
352.25983	0.5
363.09290	0.7
365.10571	0.7
405.13657	5.6
405.18439	0.5
490.35999	0.5
519.29242	4.7
549.26898	2.3
611.47009	1.3
612.46918	2.3
665.43988	0.5
681.34521	5.8
711.32141	1.4
989.54480	100.0
990.54596	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	991.56
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.3
69.07073	0.9
70.10191	0.2
70.29919	0.7
71.01351	0.4
71.04993	0.4
71.21486	0.2
73.02918	2.8
79.05486	1.9
81.03413	1.6
81.07060	3.0
82.70892	0.2
83.04986	0.3
83.08624	0.5
85.02910	4.8
87.04459	0.5
91.03950	2.9
91.04440	0.3
91.05490	1.9
93.07041	2.2
95.05000	0.7
95.08610	1.9
97.02891	5.2
97.03493	0.3
97.06554	0.4
99.04501	0.8
101.02386	1.7
103.03960	0.3
105.07052	1.2
107.08611	1.2
109.02879	0.6
109.10181	0.6
117.07072	0.4
119.08611	0.7
121.10178	0.9
127.03912	1.6
131.08588	0.4
133.10173	0.6
135.11717	0.6
145.05016	0.3
145.10155	0.4
159.11784	0.2
161.03223	0.2
179.93190	0.2
185.04324	0.9
193.76678	0.2
203.05394	0.9
243.08424	2.2
333.20370	1.8
335.25995	0.4
347.09506	2.2
363.09088	0.6
365.10822	0.8
405.13696	5.7
439.19821	0.4
453.21295	0.5
460.35855	0.2
519.29309	4.6
535.16699	0.2
551.28351	2.7
681.34521	5.9
713.33691	2.1
721.07153	0.2
829.50696	0.7
893.47784	0.3
991.56018	100.0
992.56274	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	994.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.2
69.07072	4.5
69.21325	2.6
69.21742	9.3
70.06573	1.4
73.02898	1.5
79.05495	15.4
80.05017	1.5
81.07054	15.5
82.06569	3.6
83.08599	2.0
84.04492	1.9
84.08128	5.1
85.02906	5.2
91.03957	1.7
91.05474	13.4
93.07044	14.8
94.06562	9.0
95.04932	1.6
95.08611	8.7
96.04497	1.3
96.08133	2.4
97.02892	4.0
105.07020	9.0
106.06552	1.3
107.08604	9.1
109.06540	1.5
109.10154	4.2
112.07607	2.1
114.09206	1.3
117.07017	3.7
119.08607	6.0
120.08101	2.0
121.10134	5.0
122.09660	1.9
124.11236	4.1
129.07010	1.5
131.08556	3.6
133.10112	4.1
134.09631	1.3
135.11685	2.4
135.86942	1.1
136.11214	2.0
143.08487	1.7
145.10109	4.7
147.11656	3.0
148.11171	1.3
152.10641	1.5
156.02780	1.1
159.11679	1.5
173.13396	1.8
185.70671	1.2
245.36525	1.2
300.23148	2.4
305.63098	1.0
312.21463	1.2
312.32593	10.8
318.24341	3.3
334.23694	1.5
335.25760	6.8
374.27280	1.3
378.68524	1.2
392.27890	3.6
448.30273	1.2
551.80737	1.0
652.49194	6.5
670.50433	100.0
671.50391	4.3
814.54034	3.0
832.55627	46.1
833.55780	2.5
979.38214	1.3
994.60913	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	1003.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	23.8
71.39731	1.5
73.02933	2.7
73.53993	1.7
78.95944	1.4
80.02691	3.9
81.03461	3.9
83.01400	4.7
83.05057	8.7
84.02174	2.7
85.02960	4.2
87.00882	6.1
89.02465	16.6
97.02956	4.0
97.06585	1.5
97.55090	1.6
101.02446	19.4
113.02475	8.0
119.03509	6.0
122.12597	1.6
123.08225	2.7
125.02432	6.3
125.09727	5.6
127.11346	2.8
137.09734	29.1
139.11314	3.1
143.03470	2.5
151.11203	1.9
153.09216	2.6
155.10814	12.6
161.04559	3.8
163.11287	2.5
165.12834	2.9
167.10771	4.3
171.10303	31.3
179.05626	5.0
180.63278	1.6
186.75642	1.6
191.05644	2.0
193.12381	7.2
195.13745	1.6
207.79379	1.5
208.97966	1.6
209.11823	9.3
211.13391	1.8
235.08243	12.5
247.20738	6.7
251.79906	1.6
253.09209	3.0
263.20221	1.9
273.18466	1.7
277.21741	55.3
278.22076	3.0
279.68469	1.7
287.07837	3.7
291.19681	39.6
292.19931	2.3
295.22794	3.0
305.08847	2.1
309.20792	12.2
327.21640	10.3
397.13544	100.0
398.13913	5.5
415.14627	35.2
416.14807	2.7
675.35956	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	1023.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	1.5
71.01720	0.2
73.02976	0.5
78.13557	0.2
83.01392	0.6
85.02956	0.6
87.00898	0.7
93.03471	0.6
96.96017	1.4
97.02951	0.4
101.02454	1.0
104.02676	0.5
105.03479	0.3
108.02168	0.3
109.02935	0.3
111.09756	0.2
113.02464	0.6
116.92853	0.4
117.03496	0.9
119.05054	0.8
121.02966	0.5
123.04533	0.3
125.02454	0.6
132.02187	34.3
133.03046	2.8
134.03758	14.0
135.04483	1.0
136.01700	0.3
137.02460	1.5
147.04517	0.3
149.02455	0.4
149.06122	2.1
150.03304	0.3
151.03976	0.3
153.01971	0.3
159.04568	0.4
160.01677	100.0
161.02393	4.9
163.04030	0.3
163.55896	0.2
168.52530	0.2
173.06187	0.3
175.04019	85.2
176.04395	1.9
178.02721	1.8
179.03500	1.0
191.05627	0.3
191.07207	0.4
193.05083	11.0
217.05093	0.3
223.06154	0.3
235.06206	0.5
247.06293	0.4
265.07220	0.4
319.08295	0.8
337.09473	0.6
361.09290	0.5
379.10605	0.4
541.15991	0.5
555.14880	0.6
583.16376	0.4
601.17834	0.5
607.16827	0.3
625.18079	0.8
627.17133	0.3
643.18610	1.3
667.18890	1.5
685.19879	1.6
701.90076	0.3
759.21429	0.5
777.22223	0.8
801.22552	5.7
802.23682	0.6
819.23621	6.9
820.24756	0.4
861.24628	65.5
862.24988	7.6
903.25421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.3
73.02966	0.5
75.92577	0.2
78.17400	0.2
79.95750	0.2
82.66818	0.2
83.01421	0.4
85.02975	0.3
87.00900	0.6
93.03474	0.7
96.96017	1.9
97.03002	0.3
98.20574	0.2
99.00895	0.3
101.02462	1.0
104.02693	0.6
104.39593	0.2
105.03470	0.3
108.02206	0.4
113.02449	1.0
116.92872	0.3
117.03466	0.8
119.05036	0.8
121.02967	0.4
122.06195	0.2
125.02475	0.3
132.02190	37.3
133.03017	2.2
134.03757	13.4
134.04829	0.3
135.04541	1.2
137.02470	1.8
139.03912	0.3
141.01962	0.2
147.04518	0.4
149.02373	0.3
149.06096	2.1
150.03320	0.2
151.04008	0.3
153.01831	0.3
159.04591	0.2
160.01677	100.0
161.02379	4.9
162.03145	0.3
163.03935	0.4
165.01762	0.2
165.05591	0.4
166.02785	0.3
173.04561	0.4
175.04018	81.1
176.04378	2.2
177.01949	0.3
178.02676	1.7
179.03555	1.0
188.04776	0.4
190.02782	0.4
191.05582	0.3
191.07205	0.3
193.05064	9.3
194.05347	0.3
195.06587	0.3
205.05093	0.7
217.05042	0.4
223.06133	0.2
232.03746	0.3
235.06108	0.4
242.05841	0.3
247.06172	0.4
265.07178	0.8
267.64981	0.2
301.07251	0.3
317.89368	0.2
319.08267	0.5
329.06546	0.4
337.09381	0.6
361.09363	0.9
379.10214	0.5
504.68011	0.2
541.15198	0.4
547.28229	0.2
555.15106	0.7
559.16656	0.3
625.17712	0.9
637.17987	0.3
643.18915	1.4
667.18854	1.5
685.19550	1.7
759.21790	0.6
768.36029	0.2
777.23389	0.6
801.22437	5.7
802.23657	0.6
819.23669	6.1
819.36859	0.2
820.23956	0.9
861.24615	66.4
862.25024	7.3
862.41870	0.3
903.25555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55299	0.7
71.55688	0.7
71.56055	0.7
72.00904	0.7
74.02482	8.6
81.04593	0.9
82.02983	1.1
86.02488	2.5
87.05656	1.8
93.09624	0.8
96.96026	2.3
97.04079	1.3
99.05664	7.0
101.07238	1.4
102.05639	1.5
107.06137	0.7
109.04073	1.2
112.04047	0.8
116.46426	0.7
124.04102	0.9
125.03565	0.9
127.05140	1.7
128.03554	20.9
133.02940	0.8
135.05632	2.2
141.06731	1.7
143.04639	29.3
145.06238	1.0
146.04602	2.6
153.06715	1.8
160.00742	8.0
166.09827	0.8
167.04620	2.7
167.08295	0.9
177.03360	2.1
179.04659	4.8
181.05977	0.8
184.10896	0.8
185.05701	0.9
197.05638	0.9
209.11845	0.9
210.08884	6.7
254.07848	7.9
272.08899	13.8
288.06702	4.5
293.97488	0.6
306.07681	100.0
307.08014	3.2
324.34335	0.7
415.14450	0.8
439.90277	0.8
626.48260	0.8
839.84839	0.7
867.85785	0.7
1030.51013	10.0
1031.50732	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	1030.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55491	1.0
74.02473	9.2
82.02993	1.0
86.02502	3.3
86.02947	0.5
86.06144	0.7
86.99106	1.2
87.05642	2.0
90.00201	1.2
95.02474	0.6
96.96018	2.8
97.04085	0.9
99.05650	7.3
100.00437	0.6
101.07218	1.1
102.05621	1.1
109.04094	1.0
109.73636	0.6
111.05628	0.7
112.04042	1.1
116.01768	0.7
123.05694	1.1
125.03566	0.8
127.05151	1.7
127.70332	0.6
128.03557	21.6
135.05663	2.5
135.14615	0.5
137.07182	0.6
141.06680	1.5
143.04637	29.7
145.06230	1.1
146.04579	2.5
149.07291	0.6
153.06694	2.4
160.00778	8.9
166.09846	1.4
166.29161	0.6
167.04587	2.1
167.08261	1.0
171.07802	0.6
171.78090	0.5
177.03368	3.6
179.04646	8.5
181.06091	0.7
185.05743	0.7
191.05615	0.7
192.07732	0.7
197.05670	1.1
209.11801	1.0
210.08876	8.6
242.07857	0.7
254.07846	8.1
272.08917	16.0
277.21707	0.8
288.06671	5.7
306.07684	100.0
307.07959	3.2
411.19965	0.6
700.70050	0.6
781.72284	0.8
903.65131	0.7
1030.50500	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	1041.6017
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	1.5
73.02937	0.6
75.00884	7.2
83.01408	0.3
85.02962	10.4
87.00890	3.0
89.02459	1.8
93.03470	0.4
95.01408	2.7
95.28458	0.2
96.96029	0.6
99.00897	4.1
101.02473	0.5
103.00381	0.9
111.00845	0.3
111.04543	0.2
112.01754	0.3
113.02464	12.3
115.00369	0.6
117.01962	1.5
118.45072	0.2
129.01941	0.7
131.03490	0.5
136.28365	0.2
151.53836	0.2
157.01421	0.5
175.02505	1.2
205.07222	0.9
229.97696	0.4
231.05260	0.4
249.06125	2.2
259.20602	0.3
259.47650	0.2
267.07202	2.9
277.21747	26.3
278.22043	1.1
348.61887	0.3
428.91168	0.3
509.27579	1.0
527.28650	100.0
528.29034	8.3
528.37091	0.4
614.82544	0.3
638.07703	0.3
791.04681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02480	11.7
81.04580	0.8
82.02994	1.4
84.04567	0.4
85.04097	0.6
86.02477	4.9
86.06140	0.5
86.33818	0.4
86.99119	1.1
87.05639	2.2
88.04047	0.5
90.00175	0.8
95.02525	0.7
96.96006	0.7
97.04083	1.7
99.05656	10.1
100.00458	0.8
101.07195	1.5
102.05634	2.2
107.06148	0.8
109.04095	2.9
109.07710	0.6
111.05663	1.1
112.04037	1.2
113.03580	0.7
116.01786	1.6
121.04041	0.4
123.05638	1.5
124.04050	1.0
124.07672	0.4
125.03580	1.2
126.01986	0.6
127.05149	2.5
128.03557	32.2
129.03885	0.4
129.99686	0.5
131.04666	0.4
135.05673	3.9
137.07173	0.6
141.06712	1.9
143.04639	37.1
144.04996	0.4
145.06206	2.3
146.04630	4.2
149.07164	0.4
153.06725	2.9
155.08211	0.6
159.99503	0.7
160.00761	10.1
160.02107	0.7
166.09865	2.4
167.04636	2.9
167.08315	1.7
170.03294	0.6
171.04120	0.8
171.07770	1.5
175.01862	0.4
177.03418	3.2
179.04633	9.5
179.06096	0.7
181.06207	1.1
184.10927	0.5
185.05701	1.4
192.07803	0.7
197.05659	1.6
198.08917	0.5
199.13428	0.5
210.08862	9.1
213.03300	0.4
228.09903	0.6
231.04453	0.6
242.07837	1.1
254.07858	11.3
272.08908	22.7
273.09314	0.7
277.21835	0.6
288.06604	6.3
304.06131	3.9
305.08664	0.6
306.07681	100.0
307.07950	2.9
332.09222	4.7
770.95447	0.4
773.41876	0.7
870.40356	0.4
1046.50940	3.8
1047.51221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02481	9.1
81.04588	0.8
82.03001	1.9
84.04575	0.6
86.02484	3.9
86.06145	0.8
86.99101	1.5
87.05647	2.1
88.04044	0.6
90.00216	1.0
95.02533	0.5
95.06188	0.4
96.80453	0.3
96.96023	0.8
97.04091	1.4
99.05650	9.3
101.07222	1.4
102.05618	1.7
107.06158	0.7
109.04088	2.4
111.05673	1.2
112.04077	1.1
116.01795	1.0
120.01249	0.5
123.05683	0.7
124.04029	0.9
124.07661	0.3
125.03573	1.3
126.07314	0.4
127.05119	1.9
128.03555	28.0
129.03944	0.7
135.05634	3.5
137.07237	0.8
141.06737	2.4
143.04637	36.4
144.04985	0.6
145.06238	1.8
146.04620	3.7
153.06708	2.8
154.58235	0.4
160.00755	9.7
166.09862	1.7
167.04623	2.8
167.08229	1.9
170.03351	0.7
171.04158	0.6
171.07785	1.4
171.10222	1.0
177.03398	3.9
179.04633	8.6
180.07773	0.5
181.06219	0.9
184.10883	0.5
185.05716	1.4
192.07765	0.9
196.31770	0.4
197.05653	1.7
197.11729	0.4
199.07207	0.6
199.81645	0.4
207.09984	0.4
210.08855	7.7
223.13414	1.7
228.09894	1.1
242.07806	1.1
254.07840	11.4
272.08893	21.1
275.20267	0.4
277.21719	0.8
288.06625	6.3
293.21304	1.1
304.06125	1.5
306.07672	100.0
307.07919	2.6
309.20731	1.2
332.09250	5.1
369.96460	0.4
405.93045	0.4
459.22528	0.7
782.93335	0.4
1026.17676	0.4
1046.51331	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	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
57.98357	0.9
58.00577	1.2
59.01384	29.2
65.81855	0.8
71.54958	1.7
72.00911	1.0
72.99316	91.8
73.01248	1.4
73.99655	2.0
74.99218	0.9
75.00880	24.2
75.02818	1.7
93.11690	0.8
103.00377	1.0
105.01947	100.0
106.02270	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	1057.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	0.4
74.21333	0.2
77.20646	0.2
79.95767	0.2
81.03477	0.6
83.01382	0.2
85.02964	1.5
87.00887	0.4
89.02440	0.3
91.01913	0.4
93.03493	1.0
95.01411	0.7
96.96027	0.9
97.02991	0.3
99.05888	0.2
99.43557	0.2
101.02461	0.6
108.02189	30.9
109.02977	10.1
110.03334	0.3
111.00895	0.2
113.02460	0.5
116.76560	0.2
119.01390	0.9
119.05053	0.4
121.02984	1.3
123.00894	0.9
123.04531	0.4
125.02451	0.6
133.02979	0.5
134.03752	0.8
135.00906	0.7
135.04532	1.4
137.02455	0.7
138.03246	0.6
139.00450	0.2
139.04021	0.2
145.02982	0.2
147.00920	0.4
148.01718	0.5
149.02460	3.0
150.03261	1.5
151.00362	0.2
151.04037	0.8
152.01169	37.3
153.01959	10.7
153.05545	0.3
155.03522	0.2
160.01797	0.2
161.02489	0.5
161.04547	0.3
162.03249	0.2
163.04030	1.1
163.05240	0.2
164.04807	1.7
165.01958	0.9
165.05582	0.6
166.02687	0.2
167.03555	0.9
173.04594	0.8
175.00378	5.3
175.82443	0.2
176.01161	6.5
177.01846	0.8
179.03557	0.5
179.07178	0.4
181.05113	0.4
190.02737	13.3
191.03520	11.7
191.05551	1.2
192.03958	0.7
193.05023	0.4
194.02206	0.7
195.02974	0.5
205.05080	11.1
206.05545	0.5
207.02911	0.2
208.03806	0.3
209.02887	0.3
209.04564	2.0
209.87149	0.2
223.06123	2.2
225.04137	0.2
231.10223	0.4
243.02876	0.3
251.05685	0.6
252.25864	0.2
257.04602	0.3
272.06888	0.2
273.07642	0.6
275.09299	1.5
285.04117	0.5
300.06122	0.2
315.07245	9.3
316.07565	0.4
327.05051	0.2
329.06625	0.4
353.08746	2.5
354.09033	0.2
367.10327	0.5
449.14664	0.4
474.07990	0.4
477.13879	0.5
489.10165	0.9
491.12112	0.3
521.13025	100.0
522.13342	7.7
523.13660	0.6
609.15936	0.2
637.17810	0.5
651.13440	0.4
1057.37366	0.4
1062.21411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03973	1.8
80.96528	1.3
81.03480	2.1
83.05036	3.0
85.02974	3.4
87.00878	4.0
89.03981	1.2
93.03468	32.6
94.03815	0.6
95.05038	4.7
97.02930	0.7
99.04555	0.4
105.03472	15.6
106.04264	1.0
108.02171	0.5
109.02934	2.4
111.00887	1.3
111.04535	7.9
113.02428	0.5
121.02982	2.6
123.04531	1.5
124.01650	0.6
125.02458	0.5
127.04021	1.6
129.01978	0.8
132.02206	1.8
133.02974	100.0
134.03778	20.4
135.04543	20.8
137.01453	0.9
137.02469	14.6
139.04030	4.4
149.02458	1.2
150.03264	1.9
151.04018	1.7
155.03529	7.1
159.04543	0.6
160.01666	1.1
161.02477	2.1
164.13226	0.4
165.02043	0.5
173.04562	36.0
174.04901	0.8
177.01949	57.8
178.02728	24.1
179.03499	8.9
183.71446	0.5
187.04073	0.8
191.05621	22.6
192.05869	0.8
211.13402	4.8
211.82599	0.5
215.05594	0.7
277.21741	4.7
283.13412	0.8
299.16522	0.7
308.09070	1.6
309.15039	2.4
327.16019	4.9
345.17203	0.6
351.07166	4.7
352.07898	1.8
353.14133	0.5
387.08109	0.5
481.26175	0.5
555.28546	3.7
563.25238	0.5
581.25848	0.9
625.24646	0.5
699.31250	0.4
707.44086	1.7
823.46307	1.8
841.47418	11.6
842.47974	1.4
867.45227	8.0
867.60913	0.7
868.46417	0.6
885.46509	23.7
886.46686	3.2
916.53448	0.4
1041.49963	0.4
1059.51782	64.0
1060.52136	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	1061.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	1.1
85.02966	7.7
87.00893	2.0
93.03468	22.4
96.96028	1.4
98.20672	1.5
107.05033	1.0
108.02192	2.1
109.02975	5.1
111.00925	1.1
111.04541	4.3
115.00385	1.9
121.93276	0.8
124.49065	0.7
127.04026	1.7
133.02974	2.1
134.03766	3.5
135.04543	51.8
136.04871	1.1
137.02472	5.4
147.04527	0.7
149.06015	1.4
155.03526	4.4
161.02457	3.0
161.06078	1.6
173.04568	79.7
174.04898	1.5
179.03520	46.6
180.03792	1.0
191.05630	61.5
241.05219	1.7
242.05879	8.1
243.06596	2.8
271.09760	9.9
272.10165	0.9
284.10287	0.8
289.05829	1.4
297.07700	1.7
353.08810	100.0
354.09164	5.0
359.07843	4.0
463.11099	0.8
480.45248	0.7
514.11090	0.9
515.11389	0.8
533.13043	9.4
707.18329	37.7
708.18787	2.5
906.55823	0.8
1034.71570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.596
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07954	48.0
81.69461	53.4
90.33012	51.6
96.95998	69.6
97.37689	45.0
97.70921	60.1
98.19980	75.0
104.26163	59.7
118.15332	60.7
124.54029	50.5
138.94574	56.3
146.05286	55.3
167.55490	64.1
191.05598	64.6
198.01062	49.9
277.21985	57.4
441.56079	51.8
549.28412	100.0
569.41034	50.9
622.50452	52.8
965.04388	55.5
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
67.03027	2.1
70.38847	4.1
77.85725	1.1
93.21597	1.1
108.02192	100.0
108.04577	10.5
109.03040	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	11.4
83.05022	0.3
94.99067	0.2
96.96004	0.2
97.06583	0.2
98.19852	0.3
104.97518	0.3
110.98546	5.5
127.07656	0.2
137.00095	0.2
152.99625	0.5
162.45604	0.1
167.01157	2.6
167.02512	0.2
170.77853	0.2
175.15196	0.1
185.02225	4.4
185.03908	0.2
233.22786	0.5
259.20743	0.6
275.20209	0.6
277.21735	100.0
278.22058	4.4
299.53470	0.2
325.25952	0.1
329.49667	0.2
445.23633	30.7
446.24011	1.8
462.81516	0.2
481.15274	0.6
495.17035	0.3
540.17828	0.1
555.18964	0.6
572.15515	0.3
579.28711	0.2
641.22284	0.9
809.23914	0.7
894.21161	0.1
919.45154	3.0
920.45276	0.3
1055.44360	0.2
1056.45203	0.2
1087.46948	24.4
1088.47156	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	109.0297
Annotation	resorcinol
Peak:m/z	Relative Intensity
55.70175	2.2
58.17415	2.3
63.14563	2.0
65.03973	50.4
66.03490	6.4
67.01900	24.6
67.03022	7.7
76.76852	1.9
82.03017	2.9
108.02198	9.9
109.02961	100.0
109.04121	4.9
110.02522	2.5
110.03327	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	1096.6014
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95924	0.4
78.98605	2.4
79.95744	5.6
80.96525	34.1
81.03477	0.4
83.01389	0.2
85.02966	2.1
87.00880	1.0
91.04037	0.2
94.98097	8.7
95.01370	0.3
96.96018	1.7
97.02957	1.0
99.00909	0.4
100.01601	0.1
101.02470	1.3
106.98097	1.8
113.02438	0.3
122.97599	3.3
125.02468	2.2
127.04021	0.5
134.97600	2.8
134.98630	0.1
136.99191	1.0
138.77896	0.1
143.03481	0.2
144.15964	0.1
146.97507	0.2
148.99153	3.5
150.97038	0.1
152.98642	4.3
164.98643	6.9
167.00146	0.2
168.04280	0.1
176.98720	0.1
182.99704	1.1
188.50864	0.1
188.98689	0.2
191.02002	0.3
191.05666	0.2
206.99724	1.8
225.00766	14.2
226.01137	0.3
243.01790	1.1
277.21765	1.8
279.23297	4.9
295.98990	0.2
299.04407	2.8
317.05640	0.2
337.21472	0.1
440.40836	0.1
504.31012	4.0
577.26910	100.0
578.27197	8.8
631.24176	0.2
805.07458	0.2
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	Unknow
Peak:m/z	Relative Intensity
55.01884	6.1
67.01898	51.0
69.93920	5.7
69.94333	4.3
78.95914	100.0
83.01399	14.8
98.20689	3.0
110.97559	2.6
111.00900	63.6
112.01222	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
67.01902	74.4
68.02209	2.7
70.71805	6.3
74.69456	2.6
78.95481	5.4
78.95918	91.3
83.01398	6.8
84.04568	5.9
106.32260	2.6
107.21619	2.7
111.00896	100.0
112.01250	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	12.8
67.01898	68.8
68.02244	3.0
69.95863	11.9
71.01388	3.6
78.95916	100.0
83.01402	25.5
83.52920	2.5
84.04545	4.8
98.20577	3.4
111.00893	86.1
112.01221	2.8
112.04063	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	1123.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	52.4
79.95754	1.8
80.96520	4.0
96.96065	1.0
96.96944	4.1
102.19982	0.7
102.25075	0.7
105.80986	0.6
117.18739	0.6
150.98082	1.3
152.99609	55.4
164.98582	1.0
171.00665	15.0
225.00810	1.4
227.03284	3.1
245.04332	75.1
246.04745	1.3
248.66476	0.7
253.21744	40.9
254.22034	1.4
264.91998	0.7
277.21854	2.5
283.93796	0.8
376.50143	0.7
412.23148	0.7
445.23535	1.0
481.25769	100.0
482.26050	5.0
709.38745	1.6
795.22815	1.3
895.44379	1.0
1107.28564	0.9
1123.48877	27.9
1124.48523	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	1159.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.5
83.01399	0.2
85.02962	1.1
87.00873	0.1
91.01897	0.6
93.03461	0.6
95.01400	0.8
95.92339	0.1
96.96053	0.1
97.02963	0.3
98.20698	0.1
99.00919	0.2
101.02490	0.3
101.03072	0.1
103.01881	0.1
107.01399	0.3
107.05069	0.1
108.02189	32.8
109.02977	11.1
110.03323	0.2
113.02451	0.5
117.03484	0.1
119.01402	1.1
121.02975	1.3
122.03806	0.1
123.00916	0.9
123.04542	0.4
125.02439	0.3
132.02174	0.1
133.02959	0.4
134.03784	0.4
134.62642	0.1
135.00906	1.0
135.04530	0.8
136.01643	0.1
137.02484	0.3
138.03262	0.3
139.04042	0.1
147.00891	0.8
147.04536	0.1
148.01686	0.8
149.02460	3.2
150.03264	1.6
151.00459	0.2
151.04028	0.7
152.01166	36.5
153.01958	11.1
154.02281	0.3
155.03503	0.1
159.03046	0.1
161.02470	0.5
161.04584	0.1
162.03233	0.3
163.04041	1.2
164.04807	2.0
165.01959	0.8
165.05563	0.8
166.02711	0.3
167.03502	0.8
169.05058	0.2
170.02069	0.1
173.04494	0.1
175.00381	6.3
176.01160	8.0
177.01888	0.6
177.05502	0.2
179.03548	0.2
179.07129	0.4
181.05064	0.1
183.04552	0.1
189.02014	0.2
189.05627	0.1
190.02731	14.3
191.03516	12.0
192.03922	0.4
193.01476	0.2
193.05038	0.1
194.02235	0.7
195.02998	0.5
199.03957	0.1
205.05067	10.5
206.05478	0.4
207.03018	0.3
207.06641	0.2
208.03751	0.3
209.04559	2.0
213.05551	0.1
217.01389	0.3
219.02959	0.1
220.03793	0.1
221.08333	0.1
223.06139	1.9
225.04077	0.3
227.03633	0.1
229.05103	0.1
233.04492	0.1
235.02692	0.1
235.06042	0.1
239.03433	0.1
240.04265	0.1
242.02208	0.1
243.03180	0.4
244.37010	0.1
251.05690	0.4
257.04590	0.3
258.05399	0.2
265.07135	0.1
267.02966	0.1
272.06854	0.2
273.07651	0.7
284.03430	0.1
284.06644	0.1
285.04074	0.4
293.06934	0.1
297.06473	0.1
299.01953	0.2
299.05438	0.1
300.06506	0.3
314.04251	0.2
315.07236	9.2
316.07733	0.4
322.07013	0.1
324.61459	0.1
327.05142	0.1
329.06696	0.3
337.09567	0.1
338.06485	0.1
339.07407	0.1
353.08804	2.2
354.09360	0.1
367.10437	0.4
462.11975	0.1
474.08075	0.5
477.14221	0.5
489.10532	0.7
506.11020	0.3
521.13007	100.0
522.13354	7.7
522.21436	0.1
636.17316	0.1
637.17761	0.4
638.18225	0.3
639.18530	0.1
1159.40417	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01873	0.5
59.01386	0.8
70.16656	0.4
71.01396	0.7
71.55136	0.7
72.00896	0.7
73.02955	100.0
74.02489	1.7
74.03294	2.9
75.58796	0.4
78.74175	0.4
99.00891	8.7
99.01530	0.6
99.92568	2.1
107.90263	0.4
116.92869	5.4
117.01956	12.3
117.92929	0.6
118.02244	0.5
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
66.03493	2.9
66.20816	0.7
71.01395	1.0
74.57516	0.8
92.37251	0.8
93.03477	6.1
94.02998	20.5
98.20711	1.1
108.02193	5.1
121.02969	100.0
122.02490	13.2
122.03329	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	129.0196
Annotation	Itaconic acid
Peak:m/z	Relative Intensity
59.42667	0.8
69.47440	3.3
69.47847	3.1
70.39600	0.8
85.02962	100.0
86.03303	2.6
115.36952	0.8
129.02010	5.2
136.71060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
50.36339	2.4
54.75098	3.0
55.01882	6.3
56.26212	2.6
57.03444	12.2
58.02972	5.1
67.01892	25.6
68.99828	4.3
70.60885	6.2
70.61214	3.3
71.01379	8.1
73.02953	3.8
83.01402	3.1
85.02961	100.0
88.04060	8.0
94.79784	3.3
101.02449	5.3
129.01938	16.6
130.05081	3.1
130.08780	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.6
60.58102	1.4
67.01899	8.0
69.93743	7.5
72.99335	1.6
73.48514	1.4
76.60315	2.0
85.02962	100.0
85.87928	1.8
86.03309	3.0
88.04038	1.7
89.80968	1.4
111.59151	1.4
128.90131	3.2
129.01921	7.0
147.67946	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	130.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01717	0.9
50.62469	0.8
57.03443	1.2
69.41126	0.9
70.76982	2.1
73.02971	1.4
83.94708	0.9
84.08226	1.0
85.02956	1.7
86.03269	1.2
87.04525	1.4
88.04092	1.5
96.02871	0.8
101.29626	1.0
102.37727	0.8
115.54254	0.9
130.08755	100.0
131.09097	3.7
147.22490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01373	1.3
62.92662	0.9
69.82240	4.1
69.82650	2.2
71.01391	75.8
72.01709	2.0
72.99322	20.9
89.02454	9.3
98.20680	1.0
104.05396	1.0
115.00385	100.0
116.00744	2.7
122.98915	0.8
133.01439	22.0
134.01759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81721	0.9
59.01381	1.5
71.01391	81.4
71.03864	2.0
72.99316	17.4
73.04362	1.0
75.92197	1.0
89.02445	6.9
115.00389	100.0
116.00723	1.8
133.01440	21.9
145.38992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64808	1.0
56.00849	0.8
59.01384	1.8
71.01390	80.5
71.30649	1.5
71.30965	1.1
72.01721	2.4
72.99317	22.9
87.00861	1.6
89.02461	6.6
101.99554	0.9
112.13896	0.9
113.59232	0.8
115.00385	100.0
116.00703	3.0
124.98336	0.8
133.01454	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	133.0145
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
53.83821	0.6
59.01374	1.3
59.16765	0.8
63.22075	0.7
65.01467	1.2
69.73384	3.7
71.01390	59.5
72.01715	1.3
72.99315	14.9
76.41170	0.8
78.01019	0.8
87.00918	1.0
89.02451	5.8
92.02554	8.9
107.03649	32.3
115.00383	75.8
116.00731	1.5
120.13522	0.6
120.62267	0.8
129.62634	0.9
132.86783	1.2
133.01450	13.2
134.04741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
57.45273	1.3
57.80466	1.2
57.90770	1.3
61.55341	1.3
65.54595	1.3
69.51734	4.0
69.52156	6.0
75.00879	3.5
83.52274	1.6
85.02957	2.9
92.02561	2.4
93.03489	2.0
106.04274	4.5
107.03646	8.5
107.05037	8.6
117.03497	1.7
134.03746	45.6
134.04752	24.1
134.89497	33.3
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	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92115	2.3
59.01385	3.7
65.01450	2.0
69.46132	17.7
71.01392	7.0
71.29129	2.3
72.01707	4.5
72.99290	2.3
75.00878	6.3
81.15173	2.7
85.02949	7.2
91.01904	25.8
92.02523	2.7
99.92589	6.7
104.48167	2.2
106.04239	8.3
107.03647	16.6
107.05045	13.3
116.00693	4.0
134.00734	3.3
134.02562	2.9
134.03726	47.9
134.04735	47.4
134.86589	10.6
134.89487	96.0
135.00960	4.7
135.04536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
56.66605	0.3
65.01444	1.5
65.68988	0.3
66.67210	0.3
68.02550	0.7
70.93051	0.6
72.84456	0.3
78.75951	0.2
80.02563	0.5
92.02554	10.4
107.03651	38.8
108.03973	1.0
134.04742	100.0
135.03142	0.7
135.05203	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	135.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10678	0.3
55.01885	0.5
58.00598	0.4
59.01387	10.3
62.82682	0.3
70.24856	0.4
70.25194	1.0
71.01401	4.3
72.99316	16.1
73.02965	0.3
75.00881	100.0
76.01228	1.2
77.02566	0.3
87.00892	1.3
89.02459	8.5
99.00898	0.4
117.01945	2.0
131.72504	0.4
134.03673	0.4
135.03017	22.8
135.04617	1.4
136.94012	0.4
151.92743	0.7
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
51.10678	0.3
55.01885	0.5
58.00598	0.4
59.01387	10.3
62.82682	0.3
70.24856	0.4
70.25194	1.0
71.01401	4.3
72.99316	16.1
73.02965	0.3
75.00881	100.0
76.01228	1.2
77.02566	0.3
87.00892	1.3
89.02459	8.5
99.00898	0.4
117.01945	2.0
131.72504	0.4
134.03673	0.4
135.03017	22.8
135.04617	1.4
136.94012	0.4
151.92743	0.7
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	Unknow
Peak:m/z	Relative Intensity
61.67359	0.1
65.03967	1.0
69.48753	1.0
80.23653	0.2
93.03473	100.0
94.03217	0.3
94.03806	4.2
102.09796	0.2
104.09546	0.2
108.02186	0.4
119.68041	0.2
124.24715	0.2
137.02463	13.4
138.01888	0.3
138.02820	0.4
149.48627	0.2
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	Salicylic acid
Peak:m/z	Relative Intensity
50.61049	0.2
65.03976	1.6
66.67927	0.2
69.40754	0.7
69.41174	1.2
83.16263	0.2
93.03471	100.0
94.03806	4.4
94.07442	0.2
97.67648	0.2
98.20625	0.4
108.02203	0.4
132.50813	0.2
137.02458	10.8
138.01942	0.7
138.02838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
60.08546	0.4
67.01885	0.7
67.52139	0.5
69.50202	1.2
69.50614	2.4
89.85081	0.4
94.03010	0.5
94.03796	2.3
108.02189	76.4
109.02515	3.7
111.00898	2.5
123.03252	0.6
138.01988	100.0
138.05588	1.4
139.00371	1.0
139.02316	4.5
141.24649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.33001	0.6
66.62924	0.4
70.15975	1.2
90.71886	0.5
98.20638	0.5
108.02184	75.8
108.28455	0.5
109.02524	2.6
134.05759	0.5
138.01985	100.0
139.02339	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66089	2.7
53.00313	20.5
55.01885	2.4
58.02988	5.5
59.01370	11.4
59.01632	2.6
68.99825	5.6
69.03452	6.2
69.43425	6.0
69.43830	16.3
71.01392	71.6
72.99309	7.0
73.02943	4.1
73.90508	2.5
80.99818	7.2
81.03393	4.4
83.01385	3.3
85.02949	19.6
87.00892	18.2
96.99319	28.5
97.02953	5.0
99.04540	6.5
101.02414	2.8
102.05614	6.9
103.01302	2.4
106.21771	2.5
106.98119	2.5
112.98827	36.1
115.00387	3.1
124.98818	69.9
125.02458	9.4
125.99123	4.9
140.98311	8.6
142.99875	100.0
143.03545	8.5
144.00198	4.4
144.04543	3.9
144.06622	2.9
155.62010	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	25.1
53.82050	2.5
59.01384	12.8
63.82795	2.5
68.99822	6.6
70.36241	6.3
70.36633	5.6
71.01390	65.3
80.99821	6.5
83.01402	5.8
85.02949	8.8
87.00872	18.5
96.99329	29.5
97.02970	4.4
99.04512	5.4
111.02964	2.9
112.98819	35.2
115.00378	4.7
116.94836	3.1
124.98822	79.2
125.02464	4.0
140.98288	10.2
142.99878	100.0
143.03601	5.3
144.04546	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.99853	0.9
70.87483	0.8
82.94225	0.3
102.03514	1.3
116.05086	0.7
117.03329	0.3
144.04565	100.0
145.04921	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	145.0144
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
54.52848	4.7
55.01877	4.9
57.03444	8.2
58.02971	5.5
59.01379	15.6
65.41879	4.4
69.48730	35.0
69.49051	7.3
71.01385	32.3
72.99326	6.7
73.02950	8.1
74.02474	21.6
82.02993	8.5
83.01395	20.7
84.04556	15.1
87.00880	23.5
88.74817	4.3
96.08204	4.5
99.00880	6.4
101.02450	53.4
101.07207	8.9
102.05629	100.0
102.06264	4.0
107.02479	4.3
109.04089	10.7
110.77659	4.4
115.00383	25.0
125.03555	6.9
127.00368	15.1
127.05152	31.4
128.03563	49.7
145.01405	17.6
145.06204	19.4
146.04599	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	145.0621
Annotation	Glutamine Analogue, 1
Peak:m/z	Relative Intensity
50.33405	5.3
58.02969	12.2
67.03029	10.6
67.83668	4.5
69.99383	10.1
69.99779	11.5
71.01388	6.4
72.00911	13.2
72.99291	5.0
74.02480	45.0
79.68832	4.4
82.02988	10.5
84.04557	49.3
86.02470	5.7
98.02465	13.6
99.05650	8.9
101.07230	21.4
102.05618	100.0
107.02571	5.6
109.04111	40.1
125.03591	15.7
127.05154	93.9
128.03551	93.6
145.06224	39.6
146.04626	13.3
151.42203	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	145.0621
Annotation	Glutamine Analogue, 1
Peak:m/z	Relative Intensity
58.02973	4.0
67.03030	2.2
69.59462	7.6
69.59887	5.8
71.01399	3.1
72.00925	4.8
73.02946	2.3
74.02482	17.3
79.20805	2.0
82.02992	4.9
84.04563	20.4
86.02471	2.7
88.04046	1.8
91.83862	2.0
98.02513	3.0
101.02450	9.2
101.07215	5.7
102.05623	100.0
109.04074	10.7
116.03508	2.1
125.03571	6.9
127.05151	37.8
127.61320	2.0
128.03560	44.2
128.76756	2.0
133.50839	2.3
134.36179	1.9
145.05348	2.1
145.06212	21.6
146.04628	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	146.0461
Annotation	Glutamate
Peak:m/z	Relative Intensity
57.03454	5.1
59.01377	5.0
67.53927	1.4
70.02987	3.1
71.01389	15.3
71.55113	2.0
74.02470	17.7
75.00873	1.7
78.73563	1.1
80.62691	1.3
84.04566	7.7
84.67371	1.1
85.02956	11.7
87.00873	2.3
88.31548	1.4
98.02489	4.6
99.00900	8.8
100.04064	2.2
101.02491	4.5
102.05623	100.0
103.04060	3.0
103.05955	2.1
104.03569	1.6
113.22051	1.3
116.03540	3.1
125.78354	1.1
128.03554	36.3
128.05522	1.5
129.01988	8.9
129.02803	1.4
131.04523	1.1
134.67665	1.2
141.84975	1.4
146.04619	14.9
147.02989	2.2
151.60474	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	147.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10797	3.9
57.03460	22.0
59.01386	26.4
64.25752	4.4
71.01391	100.0
71.20341	10.5
72.99306	9.6
73.02921	4.7
74.98614	4.5
75.00919	6.4
83.01417	4.7
85.02963	48.9
87.00885	16.7
92.96003	11.5
99.00891	56.2
101.02461	15.2
102.05634	5.2
103.04012	10.5
103.05939	21.2
110.21484	4.5
129.01947	35.0
129.03902	10.2
137.29297	4.0
147.02959	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	147.0302
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
53.10797	3.9
57.03460	22.0
59.01386	26.4
64.25752	4.4
71.01391	100.0
71.20341	10.5
72.99306	9.6
73.02921	4.7
74.98614	4.5
75.00919	6.4
83.01417	4.7
85.02963	48.9
87.00885	16.7
92.96003	11.5
99.00891	56.2
101.02461	15.2
102.05634	5.2
103.04012	10.5
103.05939	21.2
110.21484	4.5
129.01947	35.0
129.03902	10.2
137.29297	4.0
147.02959	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	148.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90059	1.5
60.25466	1.5
65.44360	1.5
66.63683	1.4
67.39180	1.4
71.01400	4.5
71.04620	1.6
71.28920	2.3
73.02953	2.1
77.33883	1.6
77.46410	1.5
78.06153	1.5
80.35144	1.4
89.02464	9.5
91.05546	4.7
93.03471	4.8
95.05035	2.9
105.03491	3.0
119.05054	4.1
121.02968	37.8
129.03462	1.6
134.03740	1.9
147.04536	33.0
148.05327	100.0
149.02481	3.1
149.05681	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	148.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43988	3.2
52.76232	3.2
69.69708	6.5
69.70103	11.0
75.90543	3.1
98.20603	6.0
147.04565	7.4
148.05321	100.0
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	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
60.41397	0.9
61.81804	1.0
63.64305	0.9
69.03468	3.0
69.65928	2.1
69.66342	4.2
71.01003	2.1
71.01392	33.1
73.02959	24.1
87.00891	13.4
89.02457	100.0
90.02785	1.7
98.20717	1.7
101.02496	1.7
103.04019	5.4
126.01797	1.1
131.03531	7.0
133.01598	2.4
149.04576	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13511	0.4
51.99775	0.5
53.63087	0.4
59.01388	5.4
69.03472	2.3
70.81586	1.1
71.01390	32.7
73.02955	20.6
74.03323	0.7
83.30737	0.4
85.02960	0.6
86.95483	0.5
87.00889	10.8
89.02454	100.0
90.02785	1.7
101.02435	1.2
103.04028	5.5
131.03517	8.6
147.20262	0.5
149.04572	28.8
150.04907	1.1
167.22205	0.5
168.14348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	xylulose
Peak:m/z	Relative Intensity
53.25850	0.7
59.01383	6.1
66.40135	0.7
66.92299	0.8
69.03454	1.9
70.60299	1.6
71.01389	34.3
73.02554	1.3
73.02958	22.7
85.02959	0.8
87.00881	12.2
89.02457	100.0
90.02782	1.3
101.02492	1.3
103.04026	6.5
109.84523	0.8
131.03519	8.3
132.03954	0.8
149.04565	32.0
150.04901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0424
Annotation	Guanine
Peak:m/z	Relative Intensity
52.76795	0.3
63.41470	0.4
65.99884	0.7
66.00974	8.8
71.01410	0.4
78.00986	2.5
82.04120	1.3
89.02438	0.6
90.00989	1.3
90.61474	0.3
99.88570	0.3
106.00507	0.5
107.03651	8.2
108.02052	37.0
126.03107	9.1
132.03194	0.6
133.01579	100.0
134.02014	1.8
136.01663	1.9
143.08093	0.4
150.00314	0.6
150.04224	32.6
151.02634	35.4
152.01054	0.4
169.82672	0.4
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	Unknow
Peak:m/z	Relative Intensity
59.01394	2.4
65.00338	2.1
66.03500	3.6
67.01911	5.1
69.53078	2.9
71.01390	4.6
73.02971	1.2
75.00883	4.8
75.02429	1.3
79.01923	1.5
89.02483	1.7
91.01907	66.5
92.02259	2.0
93.03473	30.2
94.03812	1.0
95.01405	8.6
101.02473	2.6
106.04265	0.8
107.01411	0.7
107.05041	8.9
108.02194	11.3
109.02994	0.8
119.01396	19.9
121.02975	45.4
122.03855	4.2
123.00906	13.1
123.04543	3.4
124.25224	0.6
132.73859	0.7
133.02959	2.4
136.01683	96.7
137.02022	3.5
149.02437	1.5
151.00410	2.7
151.04028	100.0
151.07579	1.6
152.01128	2.0
152.03433	9.0
152.04559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.7
65.12650	0.9
69.42605	1.5
69.43011	4.2
75.00882	5.1
75.02393	1.8
91.01905	72.3
91.98407	0.8
92.02212	1.1
92.02708	1.5
93.03469	33.1
94.03781	0.9
95.01398	3.2
97.15659	0.7
98.19939	1.9
107.05047	8.6
108.02215	5.1
108.98096	0.7
119.01406	21.9
121.02968	44.1
122.03255	0.8
123.04568	1.2
133.02985	2.5
136.01672	12.6
137.02296	0.8
149.02475	1.1
151.04024	100.0
152.03380	1.4
152.04391	2.4
158.11191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93778	0.1
54.53094	0.1
57.86842	0.1
59.01396	0.6
66.03496	0.8
67.01906	0.2
68.99853	0.2
69.03470	0.4
71.01383	1.3
73.02944	0.3
79.01911	0.4
80.96518	0.2
89.02470	0.6
95.01411	1.5
98.19879	0.5
101.02459	0.6
107.01406	0.3
107.05044	0.8
108.02190	7.1
109.03011	0.3
113.11595	0.1
114.12794	0.2
122.03752	0.4
123.00915	0.4
123.04512	0.8
136.01678	100.0
137.02014	3.5
151.00476	0.3
151.04024	9.2
151.06044	0.3
151.07605	0.3
152.03532	0.6
152.04558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
65.03973	0.9
66.03493	3.8
67.01905	0.4
69.23096	1.6
69.23522	0.6
77.74489	0.2
81.03486	0.4
84.40184	0.2
92.18411	0.2
104.85088	0.2
105.04907	0.3
107.03832	0.3
108.02187	2.3
109.02982	9.2
110.00106	1.0
121.02962	1.1
122.03751	42.7
123.00901	0.5
123.03985	1.2
125.02467	0.4
135.00900	1.0
136.01669	0.9
137.02005	6.0
137.99622	1.0
138.02182	0.4
144.24162	0.2
152.03543	100.0
153.01953	4.2
153.03876	3.1
153.05220	0.3
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	Unknow
Peak:m/z	Relative Intensity
52.42393	0.2
53.36934	0.2
65.00355	0.3
66.03493	7.0
69.03481	0.3
70.28947	0.4
70.29305	0.6
76.01928	0.2
78.03493	1.7
81.03461	0.5
90.20412	0.2
93.03468	0.3
95.01431	0.3
97.02946	0.2
104.01437	0.5
105.02258	0.2
106.03005	0.6
107.03786	5.7
108.02190	1.7
108.04598	0.2
109.02965	7.2
109.06570	0.3
110.00101	0.9
121.02962	0.9
122.02515	1.0
122.03753	31.3
123.00883	0.2
123.04073	0.7
125.02493	0.5
135.03307	0.2
137.02034	0.8
137.99609	0.9
152.03546	100.0
153.01991	2.5
153.03885	3.4
153.05551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
51.09410	0.1
51.92857	0.1
65.00317	0.1
66.03496	2.6
69.03462	0.1
70.58747	0.3
78.85292	0.1
80.96530	0.1
81.03481	0.3
83.01393	0.1
94.49688	0.1
95.01360	0.1
98.19968	0.1
108.02209	1.0
108.04559	0.4
109.02964	5.0
110.00114	0.5
115.21086	0.1
121.02976	1.1
122.03753	44.9
123.00907	0.2
123.04035	1.2
124.98869	0.1
125.02469	0.3
135.04564	0.2
137.02022	0.3
137.99661	0.5
152.03549	100.0
153.02020	1.7
153.03905	3.5
153.05635	0.2
164.76930	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	152.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.4
66.03489	3.8
69.41570	0.7
69.41989	1.3
71.01388	0.3
78.03498	1.4
81.03456	0.6
95.01389	0.5
98.19940	0.6
99.92220	0.3
103.16198	0.3
106.03000	0.6
107.03777	5.1
108.02200	1.3
108.04578	0.5
109.02964	8.0
110.00107	0.9
121.02961	0.6
122.02531	1.3
122.03751	30.8
123.04115	0.6
125.02462	0.7
135.03333	0.3
135.04469	0.3
137.02025	1.0
137.99614	1.2
150.01978	0.4
152.03545	100.0
153.01973	3.2
153.03891	3.5
153.05051	0.3
153.05661	0.4
153.09230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
61.48264	0.2
64.27232	0.2
65.03979	0.2
66.03497	4.2
76.97292	0.2
93.40411	0.2
95.01392	0.2
108.02211	1.0
108.04582	0.3
109.02965	3.4
110.00100	0.5
117.50531	0.2
121.02966	1.0
122.03757	42.4
123.04092	1.5
124.04119	0.3
125.02489	0.3
137.02007	0.4
137.99643	0.3
152.03554	100.0
153.02007	1.2
153.03922	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	153.0196
Annotation	2,5-dihydroxy benzoic acid
Peak:m/z	Relative Intensity
56.89567	0.3
66.03500	0.4
68.99847	0.6
69.03465	1.3
70.32368	0.9
70.32713	0.3
70.39382	0.2
71.01389	1.0
79.01885	0.4
81.03467	5.6
85.02962	5.5
95.01398	5.9
95.02003	0.3
96.99260	0.3
99.00877	0.5
108.02193	82.2
109.02973	100.0
109.77513	0.3
110.00086	1.3
110.03305	2.8
113.02457	0.7
123.00902	5.1
125.02484	0.7
137.99652	0.7
139.00383	0.5
153.01958	37.4
154.02281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
50.56648	0.3
55.27122	0.4
58.37704	0.4
65.03972	18.4
66.04305	0.4
67.01896	8.0
71.13139	0.7
81.25588	0.4
91.01906	6.7
94.61597	0.4
109.02963	100.0
110.00137	0.4
110.03287	2.7
123.00851	0.5
130.45531	0.3
135.00900	32.2
136.01230	1.3
153.01952	64.9
154.02264	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	154.0148
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
65.99853	1.5
66.03508	0.7
67.01884	0.4
69.51583	0.7
69.52020	0.9
71.01398	0.3
73.11938	0.3
82.03001	0.4
83.01396	1.2
83.91422	0.2
93.03458	0.4
95.01422	1.0
99.91509	0.2
107.01412	0.9
107.38887	0.2
109.01745	0.2
110.03300	1.1
111.00958	1.0
111.04573	0.4
123.00895	11.9
124.01679	31.9
124.04062	0.7
125.02048	0.9
127.00405	0.3
134.61913	0.2
140.01137	0.3
154.01471	100.0
155.01807	2.5
155.03627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9988
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
53.60859	0.5
55.01885	10.4
58.31098	0.5
67.01896	18.9
68.01430	0.6
68.99827	0.6
69.03470	0.8
70.02986	1.1
71.01379	1.4
78.95911	0.8
78.98588	0.5
79.95745	2.0
81.03448	1.2
83.01395	87.7
83.05029	2.2
84.01727	1.6
85.02958	1.6
93.03466	8.7
94.98106	3.9
96.96017	0.9
99.00883	0.9
104.01539	0.5
108.02195	1.6
109.02963	1.7
110.02626	1.6
111.00891	100.0
111.03432	1.9
111.04510	7.2
111.08201	0.6
112.01230	2.2
112.04079	0.8
114.05619	7.5
125.01485	0.5
127.00373	2.8
127.04034	1.3
137.02441	2.0
143.91917	0.5
154.98494	0.8
154.99977	14.3
155.02426	1.4
155.03571	2.3
155.07076	0.5
156.06702	0.8
174.56245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	16.8
60.50375	0.6
64.42439	0.6
67.01894	15.9
70.30987	2.8
71.01391	2.8
74.58689	0.6
83.01398	90.7
83.05030	1.0
84.01710	2.3
85.02943	1.6
93.03478	3.9
94.98101	1.8
96.96010	2.4
98.20033	0.8
103.95033	0.7
111.00898	100.0
111.04512	3.3
112.01268	2.2
114.05638	0.9
117.71733	0.7
127.00397	4.0
151.20255	0.7
154.99895	18.6
155.03500	1.4
161.09969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.046
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01870	0.6
55.95390	0.3
56.01414	0.6
57.03450	2.2
64.96867	0.3
69.31611	2.0
69.32021	0.9
81.31268	0.3
83.01390	1.4
84.04556	10.2
86.06126	91.8
87.06456	1.5
88.04050	2.1
96.04546	0.4
112.04060	100.0
113.04404	2.7
114.05620	18.7
115.08807	1.0
130.05057	0.4
158.04602	19.6
159.04930	0.4
159.07735	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	159.0777
Annotation	D-Ala-D-Ala
Peak:m/z	Relative Intensity
57.03451	1.2
59.01375	1.3
63.48357	0.9
70.02986	3.4
70.89645	2.2
71.01382	3.9
71.25974	0.9
72.04564	6.4
73.02960	2.1
85.02975	1.8
86.06129	2.0
87.00925	1.3
87.05646	18.2
87.06445	4.6
88.04050	100.0
89.04370	1.4
94.92887	1.0
97.02965	2.1
98.06126	14.4
99.00898	4.2
99.05666	3.3
101.02499	1.2
108.67301	1.0
111.00896	1.3
113.04424	5.1
115.08788	58.6
116.09166	1.2
118.64957	0.9
123.93060	0.9
159.02985	3.2
159.07768	87.8
160.08105	2.5
165.91354	1.0
177.52133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01375	1.3
63.48357	0.9
70.02986	3.4
70.89645	2.2
71.01382	3.9
71.25974	0.9
72.04564	6.4
73.02960	2.1
85.02975	1.8
86.06129	2.0
87.00925	1.3
87.05646	18.2
87.06445	4.6
88.04050	100.0
89.04370	1.4
94.92887	1.0
97.02965	2.1
98.06126	14.4
99.00898	4.2
99.05666	3.3
101.02499	1.2
108.67301	1.0
111.00896	1.3
113.04424	5.1
115.08788	58.6
116.09166	1.2
118.64957	0.9
123.93060	0.9
159.02985	3.2
159.07768	87.8
160.08105	2.5
165.91354	1.0
177.52133	0.9
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	7-Hydroxychromone
Peak:m/z	Relative Intensity
51.40030	0.4
55.01886	0.6
57.03449	2.3
59.01388	11.1
63.80593	0.3
69.03455	0.9
69.83267	1.7
71.01389	12.6
71.05023	3.7
72.99327	2.0
73.02954	7.8
74.24249	0.3
75.00891	1.3
75.72169	0.3
77.03983	1.2
81.03484	1.3
83.01395	2.8
84.02178	0.5
85.02961	11.3
86.03288	0.4
87.00885	6.7
87.04510	0.5
89.02453	2.8
89.03994	1.6
95.01411	1.0
95.05051	0.6
97.02955	1.0
99.00888	0.9
99.04541	5.8
99.05684	0.3
101.02463	8.3
103.92020	0.5
104.02699	0.8
105.03468	2.7
113.02448	2.9
115.01923	1.7
115.04021	1.1
115.07711	0.7
117.03461	1.2
117.05577	1.4
118.02972	0.4
120.04549	0.7
123.04540	0.4
126.72076	0.3
131.03519	4.3
132.02196	11.6
132.03192	0.7
133.02972	100.0
134.03299	3.1
143.03506	1.6
143.89001	0.7
144.89160	0.6
160.01651	0.5
160.89281	9.0
161.02466	61.4
161.04588	12.6
161.06073	1.1
161.08170	1.5
161.89435	3.4
162.02924	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57127	0.4
55.01889	2.1
55.25291	0.4
57.03452	4.7
58.00595	1.3
59.01388	19.1
69.03455	1.2
69.92805	0.3
70.86494	1.0
71.01392	18.8
72.99311	2.3
73.02549	0.9
73.02958	14.6
75.00893	2.3
77.03976	1.2
81.03469	3.0
83.01403	4.6
85.02963	22.6
87.00889	5.8
87.04522	0.4
89.02456	4.3
89.03983	1.4
95.01405	0.8
95.05033	0.5
97.02960	1.7
99.00892	0.8
99.04546	1.8
101.02455	3.6
104.02705	0.9
105.03477	2.4
109.69340	0.4
113.02468	4.3
115.01911	1.4
117.03474	1.0
117.05531	0.4
118.03004	0.5
119.05032	0.6
123.04524	0.8
125.02439	1.1
128.46062	0.4
129.01900	0.5
131.03522	9.0
132.02188	12.0
133.02974	100.0
134.03316	3.3
143.03543	0.6
146.03757	0.5
148.44511	0.4
159.03053	0.6
160.89246	2.0
161.02469	73.7
161.04501	17.5
161.89467	1.1
162.02980	2.2
162.05775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03453	2.8
58.00599	0.7
59.01386	10.2
65.00333	0.2
68.99838	0.2
69.03471	0.8
69.24716	1.8
71.01390	10.3
71.05011	0.3
72.99312	1.5
73.02955	7.7
75.00876	1.4
77.03977	1.0
81.03477	1.6
83.01391	2.7
84.02201	0.3
84.04552	0.4
85.02961	12.5
86.03309	0.3
87.00883	3.8
87.04533	0.4
89.02459	2.6
89.03979	1.2
90.74991	0.2
95.01401	0.6
95.05032	0.4
97.02976	0.8
98.20612	0.4
99.00894	0.7
99.04523	1.7
101.02457	2.1
104.02681	0.6
105.03468	2.4
111.47288	0.2
113.02456	2.5
115.01915	1.5
115.04031	0.4
117.03472	0.8
118.03014	0.2
123.04535	0.5
125.02480	0.5
129.01964	0.2
131.03529	4.3
132.02190	12.1
133.02972	100.0
134.02417	0.4
134.03322	3.4
143.03496	0.5
146.03717	0.2
159.03023	0.2
160.84209	0.4
160.89320	0.3
161.02466	65.9
161.04475	12.1
161.08217	0.5
161.89499	0.2
162.02927	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	161.0247
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01877	0.9
57.03464	1.2
58.00590	0.3
59.01385	6.2
64.07318	0.2
69.03467	0.6
69.38725	1.1
69.39130	0.5
71.01389	6.0
72.99315	0.7
73.02956	4.4
75.00234	0.2
75.00881	0.7
77.03971	0.9
81.03456	0.9
81.19805	0.2
83.01398	1.4
84.02172	0.4
85.02961	6.5
87.00881	1.7
89.02463	1.1
89.03978	0.9
95.01398	0.4
95.05068	0.4
97.02941	0.5
99.04538	0.6
101.02473	1.3
104.02706	0.7
105.03481	2.5
113.02489	1.8
115.01931	1.4
117.03489	0.5
117.05450	0.7
123.04543	0.4
125.02474	0.3
131.03508	2.6
132.02191	10.8
133.02972	100.0
134.02361	0.2
134.03302	4.1
142.91537	0.2
160.01724	0.5
160.89319	0.2
161.02461	59.3
161.04416	5.5
162.02911	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	161.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03451	0.9
58.00591	0.3
59.01104	0.3
59.01386	4.4
61.00420	0.2
69.03452	0.4
71.01385	4.0
72.99303	0.7
73.02959	3.3
75.00861	0.5
81.03462	0.7
83.01389	1.3
85.02956	5.0
87.00893	1.2
89.02435	1.2
97.02956	0.5
99.00872	0.3
99.04494	0.7
101.02455	0.8
113.02458	1.2
120.97757	0.2
131.03767	11.5
132.04062	0.3
133.02956	0.5
143.03542	0.2
160.84222	3.7
160.89182	0.2
161.03569	100.0
162.03966	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	161.0458
Annotation	2-Dehydro-3-deoxy-L-rhamnonate
Peak:m/z	Relative Intensity
53.46996	1.6
55.01880	6.8
57.03454	29.4
58.00599	3.7
59.01387	74.6
69.03458	5.4
71.01387	100.0
71.05029	23.5
72.99321	16.0
73.02955	63.4
75.00881	6.6
81.03456	8.6
83.01394	14.5
85.02962	83.5
87.00890	32.6
87.04535	5.6
88.04053	2.8
89.02467	14.0
89.04382	1.6
95.01389	10.1
97.02971	6.7
98.20657	4.3
99.00908	6.4
99.04534	42.8
101.02464	33.4
113.02454	25.5
115.04021	12.5
117.05608	17.0
125.02512	2.0
129.02017	2.1
131.03520	21.0
132.02167	4.2
133.02979	36.0
142.14693	1.6
143.03516	33.6
159.02985	2.0
161.02524	25.2
161.04579	75.4
161.08154	4.1
162.01881	1.9
162.04810	2.0
173.70792	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	163.0767
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
52.40274	0.2
59.01379	0.8
69.43215	0.6
69.43626	1.5
71.01383	0.5
79.14001	0.2
81.22533	0.2
85.02945	0.7
85.30473	0.2
89.90106	0.3
101.02444	0.5
105.16922	0.3
119.05040	7.3
147.04478	0.5
148.05322	100.0
149.05630	2.9
160.25261	0.3
162.83949	0.3
163.04019	0.8
163.06154	1.6
163.07669	3.9
175.82886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51733	0.1
55.01871	0.3
57.03445	0.6
59.01383	2.5
69.72701	0.7
71.01395	1.7
72.99316	0.2
73.02947	0.4
74.00694	0.1
80.02676	0.2
81.03475	0.1
83.01413	0.1
85.02959	3.0
87.00871	0.2
89.02459	0.6
91.01908	0.7
91.05540	0.3
93.03470	1.1
101.02454	2.3
103.04011	0.3
105.03464	0.2
107.01387	0.2
107.05117	0.2
113.02467	0.4
115.45258	0.1
119.01387	0.3
119.05042	23.6
120.05356	0.8
121.02971	2.2
121.49850	0.1
122.03735	0.3
131.03506	0.4
135.00845	0.2
135.04521	0.6
147.04546	3.2
148.05322	100.0
149.02484	0.2
149.05646	3.7
162.83936	1.4
162.89380	0.6
162.90526	0.2
163.00433	1.1
163.04045	2.2
163.06148	5.0
163.07669	3.8
163.08992	0.2
163.11278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
55.62763	1.1
58.67953	1.4
59.01395	6.3
60.25500	1.1
69.90790	1.2
71.01385	4.3
71.55421	1.6
79.88018	1.3
80.56547	1.3
84.61998	1.1
85.02967	6.0
91.01921	2.2
93.03491	1.4
101.02486	9.0
119.05047	42.4
120.05375	1.1
123.83667	1.4
127.29827	1.3
131.03535	1.3
146.12790	1.2
162.83928	10.9
163.00380	2.2
163.04051	4.4
163.06149	10.6
163.11311	100.0
164.11670	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	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
70.87291	1.2
72.00916	39.0
87.00884	3.6
87.96622	0.5
91.05558	2.7
103.05560	6.0
105.01923	2.4
119.05062	1.9
120.05412	0.6
121.02990	1.8
144.56937	0.5
146.06122	0.7
147.04536	100.0
148.04858	3.4
150.03238	1.1
150.10632	0.5
164.07178	41.8
164.47522	0.5
165.04071	2.0
165.07515	1.1
184.09581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0195
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
56.56065	0.2
57.03435	0.3
59.01379	1.4
61.75032	0.2
62.84702	0.3
67.01888	0.4
68.99823	0.4
71.01395	1.6
71.11658	0.5
72.99316	1.0
73.02948	0.6
75.00884	3.6
75.86689	0.3
77.03966	2.2
87.00887	14.1
88.01287	0.3
89.02451	0.7
91.01901	0.4
92.99839	2.1
93.03484	3.6
95.01390	0.4
96.96053	0.4
97.51781	0.3
99.00900	0.9
101.02451	0.4
105.01946	10.8
105.02656	0.6
108.02205	0.7
109.02966	1.3
117.01981	0.4
119.05038	0.9
120.52562	0.3
121.02972	100.0
122.03179	2.3
123.00869	0.6
123.04568	0.4
135.03021	0.3
135.04567	0.3
137.02470	2.5
137.06033	0.3
138.85165	0.3
145.99751	0.3
146.50192	0.3
147.03018	1.2
147.04552	1.3
149.00992	0.5
150.02028	0.4
150.03239	7.1
151.00362	0.5
164.89667	0.9
165.01945	9.6
165.04065	7.8
165.05577	2.1
165.09196	1.0
166.05197	0.4
179.77069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
54.55945	0.3
54.78839	0.3
57.03455	0.7
58.00592	0.3
58.42800	0.3
59.01384	8.0
60.31697	0.3
68.99838	0.5
70.19484	0.8
70.19872	0.6
71.01394	6.9
72.98943	0.4
72.99323	5.0
73.02963	3.1
75.00883	7.8
85.02954	0.7
86.17335	0.3
87.00887	100.0
88.01213	1.5
89.02451	2.5
93.24442	0.3
99.00895	12.4
101.02454	3.6
103.00356	0.5
105.01948	79.0
106.02281	0.9
117.01946	3.0
119.03506	1.4
135.02998	1.7
147.03012	7.7
165.04057	44.0
166.04395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
59.16732	0.2
63.93352	0.2
69.27785	0.4
69.28193	1.2
73.46763	0.2
93.03468	0.6
95.01375	0.3
95.97591	0.2
108.02180	0.7
121.02959	12.5
122.02541	0.2
122.03307	1.0
123.00890	0.3
123.04546	0.4
136.05307	10.7
137.05653	0.3
151.00328	0.6
151.02757	26.5
152.01154	1.3
152.03116	0.6
161.67003	0.2
166.05101	100.0
166.83374	0.4
166.99936	0.2
167.03523	0.6
167.05424	3.3
177.25966	0.2
183.01727	9.5
184.02168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
64.01935	0.2
66.03491	0.5
67.01888	0.4
68.99821	0.2
69.30349	1.5
83.01372	0.2
92.05080	1.0
92.99836	0.2
93.03467	0.6
93.99374	0.3
94.02978	0.3
95.01416	0.8
95.05067	0.3
105.02222	0.4
106.03006	0.2
107.03755	0.2
108.02185	1.8
108.04560	0.5
109.02953	0.3
115.13070	0.2
118.03003	0.5
119.03728	0.2
120.04555	0.3
120.89937	0.2
121.02980	1.6
121.05359	2.8
122.02483	0.7
122.03317	2.2
122.06091	0.2
122.06934	0.3
123.00864	1.1
123.03293	0.2
123.04550	1.4
123.08142	0.2
124.04053	0.3
125.02425	0.4
126.93983	0.2
133.01680	0.3
135.04532	1.1
136.05316	24.6
137.02386	0.2
137.05652	0.7
138.01961	0.2
138.05602	0.5
148.04124	0.5
149.04871	0.2
151.00404	1.1
152.01169	3.7
166.05115	100.0
166.83406	0.8
166.99832	0.3
167.03500	1.7
167.05444	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	166.0511
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
54.35175	0.2
57.76509	0.2
60.46418	0.2
66.03497	0.3
67.01910	0.2
69.74008	0.9
70.67004	0.2
73.80943	0.2
75.00868	0.2
85.15314	0.2
92.05081	0.5
92.99843	0.3
93.03470	0.6
94.03023	0.3
95.01391	0.4
98.19942	0.3
108.02210	1.0
108.04576	0.3
111.00931	0.2
119.03823	0.2
120.04568	0.3
121.02972	0.4
121.05374	1.8
122.02521	0.4
122.03336	0.7
122.06084	0.2
123.00891	0.7
123.04546	0.5
125.02509	0.4
133.01718	0.2
135.04547	1.1
136.05313	25.3
137.05644	0.7
138.05630	0.5
146.48833	0.2
151.00386	1.4
152.01198	1.5
166.05109	100.0
167.03540	0.5
167.05440	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	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
52.49888	0.2
61.29929	0.2
65.56924	0.2
66.03490	0.4
66.87123	0.2
69.03473	0.2
71.28915	0.3
71.29242	0.2
79.95746	0.2
81.84956	0.2
89.16993	0.2
91.01893	0.2
92.99788	0.2
93.03454	0.8
93.77148	0.2
95.01396	0.6
108.02194	1.2
109.02946	0.3
111.00970	0.2
121.02969	11.3
122.02504	0.3
122.03288	1.3
122.06079	0.3
123.00875	0.7
123.04562	0.8
124.04076	0.2
125.02480	0.2
136.05313	12.9
137.02487	0.2
137.05640	0.5
138.01970	0.3
138.05634	0.3
147.15833	0.2
151.00328	1.3
151.02757	21.5
152.01170	2.4
152.03091	0.5
166.05107	100.0
167.03520	0.9
167.05453	3.1
180.01741	0.2
183.01735	9.4
184.02110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	100.0
59.03325	0.7
61.34381	0.3
61.98846	0.8
69.03455	0.7
69.72518	2.2
70.03000	0.8
72.90726	0.3
81.03503	0.5
82.95443	0.8
95.33849	0.3
97.02988	0.4
124.01731	0.3
125.02465	12.2
126.90434	0.7
132.86810	0.6
151.11276	0.4
168.13921	6.5
169.01436	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	168.9816
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
71.01389	100.0
72.01730	1.4
72.99310	0.3
78.95915	0.3
79.95731	1.2
80.96526	34.8
87.00881	2.9
94.98083	0.8
96.96020	2.1
96.96968	0.6
97.02936	0.1
98.84676	0.1
100.51933	0.1
106.98093	1.1
116.71011	0.1
122.97598	1.0
123.00985	0.1
125.00979	0.2
125.02449	1.4
126.98898	0.3
138.97125	0.3
143.78595	0.1
150.97084	60.0
151.97403	0.6
168.98140	59.6
169.98479	0.7
178.85229	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	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
59.01395	0.4
70.84931	0.9
72.92961	0.4
79.64255	0.4
97.06628	0.5
99.08150	0.8
123.08110	0.5
125.09756	2.9
127.07645	0.7
127.11293	6.8
153.09236	1.1
171.01981	0.7
171.10294	100.0
172.10622	2.4
179.80991	0.6
193.37930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
51.90810	0.2
52.01768	0.3
52.39999	0.3
55.01874	0.4
65.00335	0.9
69.03449	0.5
69.20721	0.3
69.21009	2.7
71.04961	0.2
71.63293	0.2
73.84843	0.3
75.26327	0.2
83.01430	0.3
83.05030	0.3
89.02434	0.4
96.96043	0.3
97.06621	0.3
99.00845	0.4
99.08158	0.5
101.75047	0.2
123.08208	0.5
125.09733	3.6
127.07653	1.1
127.11311	6.8
128.90054	0.3
153.09216	1.8
170.83368	0.4
171.02005	1.4
171.10292	100.0
171.13766	3.8
172.10620	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	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
67.01527	0.3
67.01894	5.6
68.84939	0.3
70.82024	0.7
72.99320	6.3
75.16270	0.3
81.81292	0.3
83.01396	4.7
85.02963	17.7
99.00895	2.3
101.02447	2.8
111.00893	100.0
112.01230	2.4
121.67413	0.3
129.01958	2.1
153.92996	0.3
154.99883	12.5
156.00243	0.3
173.00916	5.2
173.30408	0.3
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	cis-Aconitate
Peak:m/z	Relative Intensity
55.69618	0.7
56.10255	1.0
67.01891	4.6
67.10659	0.8
71.01383	3.4
71.30305	1.6
72.99318	3.9
73.25014	0.8
83.01399	3.5
85.02962	100.0
86.03297	1.6
93.03456	3.1
96.67623	0.7
99.00886	3.7
101.02443	2.4
111.00896	86.2
111.04533	1.5
112.01251	1.3
114.22906	0.9
120.16510	0.8
124.98717	0.8
129.01959	16.3
142.99883	1.3
154.99889	8.4
173.00952	4.5
173.04541	2.8
175.44887	0.8
185.84250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
51.76563	0.4
51.84962	0.3
55.01886	1.2
57.03451	1.7
59.01402	1.8
60.99325	0.5
67.01900	7.7
68.99815	0.5
69.03482	0.7
69.69841	1.3
69.70248	1.0
71.01393	13.3
72.99321	5.2
73.02949	1.5
83.01412	4.4
83.05038	1.1
85.02960	22.8
85.06606	4.6
85.21594	0.4
86.03251	0.4
87.00884	0.6
93.03473	12.0
96.99335	0.6
99.00895	6.2
99.04530	0.5
101.02475	2.7
111.00895	100.0
111.04513	4.6
112.01241	1.5
112.98836	2.8
124.98802	3.4
129.01974	3.3
129.05597	1.8
137.02444	0.7
142.98837	0.8
142.99879	7.8
154.99883	12.1
155.03532	1.8
173.00946	5.9
173.04558	11.9
173.11742	0.3
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	Unknow
Peak:m/z	Relative Intensity
53.00307	0.7
55.01879	1.1
57.03455	1.3
59.01386	1.2
67.01895	8.3
70.60023	0.5
70.66526	1.1
70.88556	0.5
71.01392	10.4
72.99315	4.6
73.02967	2.6
81.03463	0.5
83.01398	6.7
83.05048	1.4
85.02964	43.1
85.06599	0.9
86.03315	0.9
87.00906	0.9
92.81356	0.5
93.03471	10.5
99.00896	5.3
99.04524	1.1
101.02468	2.9
111.00893	100.0
111.04509	3.6
112.01220	1.5
112.98820	2.7
117.75334	0.6
124.98833	3.4
129.01952	6.0
137.02458	0.7
142.99887	6.6
154.99896	11.1
173.00945	5.7
173.04550	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	173.0093
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
57.03440	1.4
58.21120	0.5
59.01379	1.8
59.44756	0.5
60.99323	1.0
67.01896	12.2
69.03477	1.6
71.01389	3.6
72.35493	0.4
72.99322	5.3
73.02953	0.8
81.03471	1.3
83.01395	5.4
83.05035	1.9
85.02964	18.8
86.47522	0.4
87.90765	0.5
93.03469	31.9
98.20661	0.9
99.00881	2.8
99.04511	0.7
101.02471	2.9
107.14500	0.5
107.59172	0.5
109.02982	0.9
111.00894	100.0
111.04516	7.2
112.01220	1.5
121.50120	0.4
127.04037	0.7
129.01961	2.6
137.02519	0.5
146.62006	0.4
154.99892	13.2
155.03513	4.2
173.00935	5.2
173.04558	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.84061	0.2
57.03450	1.1
58.00608	0.3
59.01383	1.0
60.99302	1.0
62.43753	0.3
67.01899	12.2
69.03458	1.9
69.89721	1.3
71.01389	2.8
71.59113	0.2
72.99315	6.3
73.02966	0.9
81.03470	0.6
83.01400	5.7
83.05043	1.2
85.02964	17.7
88.85048	0.3
89.10461	0.3
93.03471	30.3
94.03818	0.6
94.04607	0.2
99.00893	2.9
99.04539	0.8
101.02445	2.8
109.02975	0.5
111.00896	100.0
111.04524	5.1
111.08172	1.0
112.01222	1.7
129.01964	2.4
129.09224	0.4
130.08740	0.3
131.09084	0.8
137.02512	0.4
140.21754	0.2
145.03062	0.4
154.99884	12.5
155.03505	0.6
156.00227	0.5
173.00949	5.0
173.02400	0.6
173.04575	9.4
173.06065	0.6
173.08220	0.7
173.11880	0.3
174.05434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	FO 6903A
Peak:m/z	Relative Intensity
57.03450	3.0
58.00611	0.7
59.01377	5.3
60.99314	1.9
65.03965	0.6
67.01897	20.3
69.03470	4.2
70.28447	0.9
70.28819	0.9
71.01390	10.5
72.99317	1.7
73.02949	0.7
74.36826	0.5
81.03466	4.0
83.01392	1.1
83.05024	2.7
85.02946	4.7
87.00896	0.5
93.03468	89.4
94.03802	2.3
95.01383	0.5
96.02227	0.5
99.00872	0.7
99.04535	1.0
101.02477	0.5
108.02167	0.5
109.02972	2.9
111.00897	16.2
111.04530	11.0
111.08159	0.6
113.02456	1.1
127.04023	0.9
129.01961	0.9
129.54428	0.4
137.02518	2.4
150.35709	0.4
154.99873	1.8
155.03525	3.3
173.04561	100.0
174.04932	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	173.0456
Annotation	Shikimate
Peak:m/z	Relative Intensity
50.88805	0.3
54.93756	0.4
57.03232	0.3
57.03457	3.5
58.00601	0.5
59.01383	5.4
59.71829	0.4
60.99305	2.8
65.03954	0.7
67.01897	20.2
69.03459	4.7
69.42776	2.4
69.43198	0.9
71.01389	10.3
72.99313	1.9
73.02940	0.6
81.03465	3.7
83.01387	1.0
83.05031	2.9
85.02960	4.6
87.00920	0.5
93.03469	100.0
94.03782	2.1
95.01414	0.4
99.00916	1.8
99.04529	0.8
109.02976	2.8
111.00894	11.6
111.04535	12.6
113.02468	0.7
127.04052	1.3
129.01993	0.6
137.02454	2.2
154.99908	1.3
155.03500	2.1
173.04561	96.8
174.04865	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	173.0456
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
57.03457	2.6
58.00594	0.6
59.01104	0.4
59.01388	5.1
60.99315	1.8
64.32932	0.3
65.03970	0.4
67.01898	19.2
68.02200	0.4
69.03465	4.0
71.01391	9.5
72.99306	0.7
73.02962	0.4
81.03467	3.0
83.01388	0.8
83.05043	2.8
85.02953	2.8
87.00882	0.8
93.03468	85.0
94.03812	1.6
96.02150	0.4
97.02940	0.6
99.00877	0.7
99.04524	0.6
108.02193	0.6
109.02959	2.8
111.00907	5.2
111.04537	10.5
113.02449	0.9
114.77824	0.3
115.04042	0.6
127.04068	0.8
137.02467	1.6
144.66702	0.4
154.99904	0.8
155.03511	1.9
173.04564	100.0
174.04892	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	177.0196
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
59.01383	0.7
61.77835	0.2
63.02420	0.4
67.01909	0.2
69.51107	1.4
70.59572	0.2
71.01398	0.7
73.70100	0.2
75.00887	0.3
77.03972	1.2
81.03468	2.2
83.01394	0.2
85.02982	0.3
89.03987	9.4
90.04324	0.3
91.01905	0.3
93.03477	1.5
95.05033	1.7
97.02988	0.2
99.00884	0.2
101.02486	0.3
105.03478	14.9
106.03797	0.3
107.01426	0.9
109.02985	0.5
113.56239	0.2
121.02986	1.9
123.04572	0.3
129.01950	0.2
133.02982	29.6
134.03281	1.0
135.00897	0.8
135.04556	0.4
139.04074	1.0
149.02464	4.9
151.00346	0.2
161.02419	0.3
162.03255	5.8
163.03596	0.3
165.12123	0.2
177.01956	100.0
178.02301	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	177.0922
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
54.15904	0.5
55.18507	0.5
57.03449	0.8
58.42392	0.5
59.01383	6.0
61.98825	0.9
63.97609	0.5
68.99828	1.1
71.01394	5.2
71.55340	0.7
72.99318	1.0
75.00882	1.8
80.02708	0.6
80.99203	0.5
83.01416	1.4
85.02957	1.8
87.00897	1.2
89.02454	2.1
89.03984	1.1
93.03462	1.6
95.01290	0.5
95.05016	0.9
99.00887	3.1
99.92567	0.6
105.03439	2.8
108.02205	2.6
116.92886	0.9
117.01965	0.6
121.02996	2.5
123.04493	0.8
129.01924	3.4
131.05054	0.5
133.02972	7.0
133.06619	1.7
134.02684	0.8
134.03741	3.2
134.06090	0.8
135.04486	0.8
141.86833	10.6
141.93655	1.3
148.05318	3.9
149.02415	2.5
149.06119	0.8
149.09720	1.0
159.87878	1.9
160.84218	1.2
161.02467	0.9
162.03241	32.7
163.03577	1.1
177.01942	15.8
177.05667	7.1
177.09221	100.0
177.84534	2.5
177.85884	0.9
177.90228	1.0
178.01361	0.7
178.02727	0.6
178.04977	0.6
178.09583	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	178.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36411	0.1
54.01876	0.1
55.01897	0.4
59.01389	0.5
60.78940	0.1
63.02416	0.2
65.00340	0.5
65.03963	0.9
67.01883	0.7
71.01399	0.6
71.56267	0.2
73.02984	0.3
79.05541	0.3
83.01398	0.2
85.02968	0.4
87.00880	1.9
89.02444	0.2
91.05564	0.3
93.03484	0.3
95.01387	0.2
97.02988	0.2
99.00881	0.6
101.02469	0.3
107.01411	0.3
107.05042	7.2
108.02179	0.2
109.02995	0.2
117.01945	0.4
117.03445	0.2
121.02963	0.4
123.00916	0.1
125.02458	0.3
130.89708	0.2
133.02965	0.4
134.02489	0.2
134.03705	0.4
134.06223	0.2
135.04539	84.3
136.04865	2.0
137.02472	0.2
141.85072	0.1
148.17358	0.1
149.02431	0.4
149.06023	0.7
150.06509	0.2
151.00337	0.2
151.03987	0.2
161.04562	1.1
163.04022	100.0
164.01181	0.3
164.04390	2.9
177.05603	0.5
178.02383	0.4
178.06384	3.6
178.99857	0.3
179.03529	0.6
179.05637	1.0
179.07036	0.3
179.10712	0.1
185.72215	0.1
186.69353	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98834	0.2
69.49957	0.7
69.50384	0.7
78.64892	0.2
79.95805	0.2
87.00915	0.2
87.08858	0.2
98.19938	0.5
119.93680	1.1
134.96103	44.9
135.96149	2.0
136.94023	100.0
137.94095	4.4
138.22261	0.2
138.94450	0.3
148.53357	0.2
151.92728	16.2
152.92793	0.9
154.95108	0.2
178.95076	62.2
179.95184	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	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.83664	0.2
55.86002	0.1
59.01385	0.3
70.89738	0.4
71.01391	0.2
84.65242	0.2
87.00900	0.4
89.03970	0.3
91.05579	0.6
93.03486	0.3
99.00889	0.2
106.04269	0.3
107.05054	2.2
108.02183	0.3
109.02949	0.3
111.56911	0.2
117.03484	0.7
134.03761	7.9
135.04544	100.0
136.04865	2.7
152.41826	0.2
153.13925	0.2
165.31458	0.2
179.03520	14.6
180.03914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01391	6.0
59.18837	0.2
69.03460	0.3
69.39401	1.5
69.39812	0.4
71.01394	4.9
71.05016	0.6
71.36890	0.2
72.99322	2.3
73.02956	1.5
75.00883	15.6
80.96524	0.5
81.03485	1.1
83.01384	0.3
85.02965	1.0
87.00890	4.2
89.02452	2.6
89.03997	0.6
90.98605	0.3
91.05551	0.7
93.03469	0.5
97.03005	0.5
99.00911	1.9
101.02482	0.6
106.04272	0.5
107.01361	0.2
107.05036	2.7
108.02214	0.5
117.01942	0.8
117.03520	1.2
119.05054	0.6
121.02981	0.4
123.04512	0.3
125.02470	0.5
134.02739	0.4
134.03766	9.7
135.04546	100.0
136.04866	2.5
143.03554	2.2
149.02412	0.4
151.00470	0.4
161.04594	2.6
163.04019	0.5
164.01245	0.3
164.04854	0.7
172.25095	0.3
179.00117	0.5
179.03537	14.7
179.05640	8.7
179.07233	0.4
180.03845	0.4
180.06578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
66.05537	0.2
68.08480	0.2
69.47691	1.3
71.01408	1.2
72.99329	0.2
73.02960	0.4
75.00880	0.3
81.03486	0.2
85.02969	0.5
87.00890	1.9
89.02473	0.4
89.04004	0.6
91.05545	0.7
93.03513	0.3
97.02979	0.3
99.00916	0.7
101.02464	0.2
106.04272	0.5
107.01439	0.3
107.05033	2.0
108.02200	0.5
109.02952	0.3
117.01986	0.4
117.03504	0.8
121.02972	0.5
123.04480	0.3
134.03758	7.8
135.04538	100.0
136.01675	0.2
136.04852	2.2
146.03833	0.3
149.02429	0.6
151.03972	0.4
161.04639	1.0
164.01154	0.6
164.04790	0.4
170.35632	0.3
179.00035	0.4
179.03508	14.8
179.05568	1.0
179.07051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0564
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
57.03431	0.5
58.00584	1.3
59.01385	22.0
69.60909	0.5
70.71140	1.6
71.01389	18.4
71.05020	3.1
72.99314	11.9
73.02956	7.2
75.00883	100.0
81.03470	6.5
85.02975	1.9
85.90389	0.6
87.00878	9.2
89.02451	9.3
99.00249	0.9
99.00883	8.0
99.04566	2.6
101.02474	1.5
113.02484	1.3
125.02451	1.3
143.03511	14.8
161.04570	6.7
179.05627	44.9
180.06041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03462	0.9
58.00601	0.9
59.01387	22.2
65.00344	1.3
67.01899	1.0
69.03461	0.8
71.01393	31.8
72.99310	0.8
73.02953	5.3
75.00883	0.3
81.03476	0.3
83.01403	2.9
85.02972	5.5
87.00897	0.9
89.02457	18.6
89.51923	0.3
91.04016	0.4
93.03482	2.4
95.01416	0.9
95.62534	0.3
97.02945	1.5
99.00876	0.4
101.02457	24.8
102.02783	0.5
102.05424	0.3
103.04025	0.4
104.94836	0.3
107.01450	0.3
108.91523	0.2
109.02978	0.7
113.02474	2.6
115.04034	0.6
119.03506	3.2
123.00905	17.0
123.03293	0.4
123.04525	0.4
124.01269	0.3
131.03535	1.8
136.98851	0.6
137.02481	1.5
137.06177	0.4
143.03471	0.4
149.04559	1.1
151.00389	86.9
152.00708	1.8
153.03055	2.8
163.06151	4.5
165.01929	1.9
166.02733	100.0
167.03064	2.4
181.01384	0.5
181.05096	13.6
181.07195	17.2
182.07440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01385	1.3
60.01728	0.4
66.03490	0.3
66.85349	0.3
69.72159	1.7
71.01402	1.4
72.01734	0.7
89.02444	0.8
90.02787	0.4
92.05073	4.1
94.02979	1.0
96.04549	0.4
96.96002	0.4
98.20654	0.4
100.08848	0.3
101.02467	0.5
102.02795	0.7
108.04569	55.9
109.04899	0.8
110.06134	1.0
120.04568	5.6
120.05357	0.2
122.02489	0.8
123.00889	0.7
123.03259	1.3
135.46527	0.3
136.04071	0.8
138.05626	100.0
138.68033	0.3
139.02638	0.4
139.05948	2.4
152.03542	1.1
164.03416	0.3
167.03137	0.6
168.00650	0.4
182.04594	21.5
182.07562	1.0
183.02969	0.3
183.04865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.45843	0.5
56.28947	0.5
59.01384	0.7
70.83560	1.0
71.01377	1.1
79.75567	0.5
81.58950	0.4
111.00903	0.8
124.01678	0.7
144.50818	0.4
168.00694	1.1
176.64279	0.5
183.03055	0.7
183.13910	100.0
184.14243	2.9
185.04153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
70.65285	0.4
71.25507	0.9
79.02445	0.5
84.66437	0.4
103.88197	0.4
106.98913	0.4
165.79622	0.4
168.00668	0.6
183.03017	0.5
183.13918	100.0
184.14220	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.07445	0.5
57.47350	0.5
59.01387	48.9
62.04273	0.6
69.03462	1.4
69.44463	1.2
69.44872	2.7
70.02991	2.3
71.01392	13.1
77.57399	0.5
78.95952	0.6
82.18821	0.6
83.05079	0.6
84.04563	8.6
85.02949	0.9
85.06547	0.6
90.57411	0.6
93.03475	3.4
94.02995	4.8
95.05041	2.1
96.00938	1.4
96.43704	0.6
97.01714	4.5
97.02999	0.6
97.06575	1.3
98.02449	0.7
98.06132	1.2
98.20657	0.7
105.44164	0.6
109.17170	0.7
110.02504	2.8
111.00906	0.8
111.04499	0.9
112.04060	100.0
113.02484	1.5
113.04386	1.2
113.06104	0.6
122.06137	8.7
122.06954	0.9
123.04470	1.0
124.04059	72.1
125.02499	1.4
125.04391	1.3
128.95906	0.6
140.07196	35.0
141.05600	0.9
141.09225	0.8
145.77826	0.6
149.02481	1.0
150.03180	1.2
151.04022	7.6
153.98622	0.6
166.05095	4.5
169.01018	1.0
173.04607	1.5
184.06171	63.6
185.06480	1.7
185.11850	1.1
191.24887	0.6
195.02982	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	185.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57177	0.4
58.14186	0.5
59.01383	0.9
68.99812	1.0
69.03452	0.5
73.66261	0.4
78.95911	87.1
84.99318	2.1
97.02955	1.4
102.81496	0.6
110.98544	100.0
112.98807	3.0
113.02432	0.8
123.08195	0.8
139.07211	0.4
140.62526	0.5
140.89700	1.2
141.09259	1.0
152.99617	6.0
177.00731	0.4
178.43657	0.4
185.02214	24.9
185.08276	0.5
185.11868	1.6
185.15469	0.9
186.02530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53660	0.7
52.69744	0.7
57.03432	1.1
59.01387	82.6
61.98824	1.3
71.01374	1.1
71.09212	1.7
74.99353	0.8
85.02976	0.8
90.75238	0.7
90.97129	2.0
97.06582	1.6
99.00887	1.1
114.98894	1.5
115.02529	3.9
117.00462	7.9
123.08192	1.7
125.09745	14.1
127.87083	3.4
141.86824	1.9
142.89398	9.4
143.01982	1.4
144.99922	1.1
159.01514	100.0
159.85992	1.9
160.01701	4.2
168.88960	1.5
186.88359	2.2
187.01013	13.7
187.04021	2.1
187.06146	1.2
187.08192	1.2
187.09808	8.1
187.13463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0767
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.35775	0.2
55.73042	0.2
57.03458	0.4
57.75736	0.2
59.01383	1.6
61.89587	0.2
61.98842	1.3
62.12251	0.2
65.53024	0.2
66.02772	0.2
67.01900	0.2
68.99825	0.4
69.54834	0.2
71.01389	0.9
71.57698	0.3
72.99319	0.3
90.97150	2.1
96.99322	0.6
97.06609	1.2
98.02588	0.2
98.06872	0.2
105.01923	0.3
105.91445	0.2
111.13354	0.2
123.08157	0.5
124.98820	0.5
125.06155	0.3
125.09747	8.0
132.98192	1.1
141.12888	0.4
141.86852	4.1
142.89403	0.9
143.07060	0.3
143.10864	0.2
144.04602	0.4
144.05792	0.5
158.03665	0.3
159.04535	0.5
159.08165	0.3
159.87880	1.4
168.88951	0.8
168.97786	0.5
169.08752	0.3
172.05321	23.5
173.05634	1.0
186.03256	0.5
186.95612	1.1
187.04207	4.2
187.07664	100.0
188.08006	3.8
202.78302	0.2
204.04298	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	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.73269	0.2
57.03456	4.0
59.01384	0.3
69.03468	0.7
69.07249	0.2
70.86246	0.5
71.01391	0.3
71.05039	0.3
75.17345	0.2
79.81081	0.2
80.02673	0.4
83.05040	0.6
84.57468	0.2
89.57535	0.2
95.05038	0.9
96.35996	0.2
97.06597	13.4
123.07273	0.3
123.08175	6.5
125.09736	100.0
126.10058	2.3
143.10786	1.9
159.30220	0.2
169.08722	2.6
187.09770	42.2
188.03520	0.4
188.10152	1.0
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
54.34610	0.2
65.76653	0.1
65.99865	0.2
69.73515	0.9
69.73920	0.2
72.89355	0.1
78.62354	0.2
87.72233	0.1
102.03506	0.6
116.05092	0.4
130.04115	0.2
144.04573	100.0
145.04906	2.9
147.03319	0.4
147.04358	0.2
159.03258	0.9
188.03563	3.6
208.80849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0201
Annotation	dehydroascorbate monohydrate
Peak:m/z	Relative Intensity
57.03451	2.7
59.01385	1.7
67.01901	2.6
71.01395	1.1
71.11443	0.7
72.98892	0.5
72.99316	13.9
73.02954	15.8
81.50205	0.4
83.01403	1.5
84.49316	0.3
84.65804	0.4
85.02962	43.1
85.78229	0.4
86.03298	0.8
87.00883	12.9
93.03471	3.1
99.00895	3.1
101.02461	2.5
103.04041	1.3
109.02960	0.8
111.00895	100.0
111.04572	1.0
111.90255	0.4
112.01239	2.5
116.41628	0.4
117.01122	0.8
117.01954	15.5
118.02258	0.4
127.04034	2.2
129.01953	9.2
129.02852	0.7
142.40141	0.4
154.99887	13.6
171.03111	0.6
172.99449	0.8
173.00929	15.7
173.04556	0.6
182.05670	0.4
191.02028	13.3
191.05637	49.5
192.05962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	dehydroascorbate monohydrate
Peak:m/z	Relative Intensity
57.03463	3.1
59.01373	0.9
67.01887	2.9
71.01395	0.7
71.11457	1.0
71.30437	0.5
72.99316	11.9
73.02956	16.7
83.01399	1.8
85.02962	37.9
87.00889	16.4
88.01196	0.5
93.03477	1.7
97.60487	0.5
99.00893	3.1
101.02453	2.1
103.04041	1.0
107.81367	0.5
109.03051	0.5
111.00896	100.0
112.01224	2.1
115.59152	0.4
117.01954	14.6
127.04031	1.2
129.01964	9.7
130.99846	0.5
154.99892	11.9
173.00938	17.2
173.02402	1.0
174.01233	0.6
191.02017	14.3
191.05644	25.6
192.06042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
57.03459	5.4
58.20417	0.3
59.01388	2.3
64.09019	0.3
67.01895	4.1
69.03460	0.5
70.66942	0.9
71.01383	1.8
72.99317	10.6
73.02952	12.8
74.03298	0.4
81.03448	0.4
83.01389	1.0
83.05048	0.6
85.02961	46.1
85.69603	0.3
86.03289	0.7
87.00884	28.0
90.40097	0.3
93.03461	4.9
98.19933	0.4
99.00891	2.0
99.04527	0.7
101.02457	1.8
103.04012	0.6
105.77950	0.4
109.02976	1.1
111.00893	100.0
111.04549	1.1
112.01234	1.7
115.45068	0.3
117.01954	10.9
127.04021	2.7
129.01962	6.7
130.99898	0.5
147.03012	0.5
154.99887	7.9
171.03094	0.5
173.00928	9.7
173.04510	1.0
191.02019	11.4
191.05626	53.3
192.02278	0.4
192.05946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03452	4.2
59.01386	0.8
66.48019	0.8
67.01897	2.6
70.50690	2.4
72.99318	2.9
73.02953	3.3
84.06507	0.8
85.02961	29.1
87.00883	34.2
93.03471	0.8
103.04025	1.0
108.06597	0.8
111.00893	100.0
112.01228	1.0
117.01951	3.5
129.01968	7.0
154.99908	4.0
173.00943	6.0
187.16991	0.8
190.06123	0.8
191.01987	14.9
191.03793	1.3
191.05597	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	191.02
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
52.58788	0.5
57.03459	4.1
59.01384	2.8
59.82267	0.4
65.59421	0.5
67.01903	4.2
69.03459	0.7
69.93323	2.0
71.01387	1.9
72.99316	11.7
73.02953	14.4
81.03473	0.8
83.01395	1.4
83.83053	0.5
85.02963	51.4
86.03281	0.8
87.00887	25.5
93.03469	6.0
99.00871	2.4
99.04550	0.4
101.02461	2.4
109.02988	1.2
111.00895	100.0
111.04532	2.0
112.01229	1.9
115.95361	0.5
117.01958	11.4
119.14314	0.5
127.04050	3.7
129.01952	8.5
147.03073	0.8
154.99886	10.2
156.00034	0.5
171.02956	1.4
173.00923	12.0
173.04555	1.2
191.02031	12.9
191.05629	72.6
192.05983	1.7
200.61192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03450	1.1
59.01385	1.7
67.01894	0.5
67.04408	0.2
69.03448	0.3
71.01383	0.9
72.99324	1.4
73.02955	1.8
75.02409	0.2
81.03434	0.3
83.05029	0.3
85.02962	12.2
87.00883	6.5
93.03471	3.1
97.02995	0.3
99.04520	0.4
101.02477	0.5
109.02969	0.7
111.00898	14.4
111.04540	0.7
112.01221	0.3
117.01945	0.7
117.03474	0.2
118.99332	0.5
119.01389	0.4
119.05033	1.3
121.02972	100.0
122.03312	2.3
123.04538	0.3
127.04032	1.6
129.01958	1.0
135.04572	0.8
147.00943	0.4
147.04535	6.7
147.08188	0.3
148.01718	0.6
154.99870	1.0
155.03383	0.3
163.00378	0.6
163.04042	1.4
170.05031	0.2
171.03018	0.3
173.00978	1.1
173.04564	0.5
176.01164	1.4
176.04857	0.3
177.01912	0.4
190.99893	0.7
191.01962	1.7
191.03577	10.6
191.05649	29.7
191.14523	0.4
192.04050	0.5
192.06047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
55.01878	0.2
57.03454	3.1
58.00609	0.1
59.01384	2.2
60.99311	0.1
65.03997	0.1
67.01894	3.6
68.02247	0.1
68.99821	0.1
69.03455	0.5
70.90101	0.1
70.90472	0.1
71.01391	1.5
71.05013	0.1
72.99318	20.3
73.02953	25.4
73.99660	0.1
74.03309	0.3
75.00908	0.1
78.95913	0.1
81.03459	0.7
82.31544	0.0
83.01398	2.5
83.05036	0.7
84.02164	0.1
85.02960	54.8
86.03284	0.9
87.00885	8.5
88.01233	0.1
90.09369	0.1
93.03468	5.2
94.03800	0.1
95.01385	0.3
96.02190	0.1
96.57529	0.0
97.02967	0.1
99.00892	4.3
99.04516	0.8
100.01253	0.1
101.02458	3.6
102.02763	0.1
103.04012	1.3
108.02200	0.2
109.02972	1.3
111.00892	100.0
111.04482	1.5
112.01227	1.8
113.02465	0.2
117.01951	19.4
118.02316	0.3
125.02449	0.1
127.04029	3.0
128.04366	0.1
129.01956	10.1
130.02278	0.2
130.99940	0.0
137.02469	0.3
143.03494	0.2
147.02982	0.6
153.01979	0.2
154.99879	15.8
156.00195	0.4
171.03017	0.9
173.00922	18.4
173.04443	1.4
174.01274	0.4
189.04008	0.1
191.02029	11.8
191.05617	58.3
192.02318	0.2
192.05971	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	191.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03454	3.1
58.00609	0.1
59.01384	2.2
60.99311	0.1
65.03997	0.1
67.01894	3.6
68.02247	0.1
68.99821	0.1
69.03455	0.5
70.90101	0.1
70.90472	0.1
71.01391	1.5
71.05013	0.1
72.99318	20.3
73.02953	25.4
73.99660	0.1
74.03309	0.3
75.00908	0.1
78.95913	0.1
81.03459	0.7
82.31544	0.0
83.01398	2.5
83.05036	0.7
84.02164	0.1
85.02960	54.8
86.03284	0.9
87.00885	8.5
88.01233	0.1
90.09369	0.1
93.03468	5.2
94.03800	0.1
95.01385	0.3
96.02190	0.1
96.57529	0.0
97.02967	0.1
99.00892	4.3
99.04516	0.8
100.01253	0.1
101.02458	3.6
102.02763	0.1
103.04012	1.3
108.02200	0.2
109.02972	1.3
111.00892	100.0
111.04482	1.5
112.01227	1.8
113.02465	0.2
117.01951	19.4
118.02316	0.3
125.02449	0.1
127.04029	3.0
128.04366	0.1
129.01956	10.1
130.02278	0.2
130.99940	0.0
137.02469	0.3
143.03494	0.2
147.02982	0.6
153.01979	0.2
154.99879	15.8
156.00195	0.4
171.03017	0.9
173.00922	18.4
173.04443	1.4
174.01274	0.4
189.04008	0.1
191.02029	11.8
191.05617	58.3
192.02318	0.2
192.05971	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.61982	0.2
57.03447	0.7
59.01385	3.6
67.01896	0.9
69.03455	0.5
69.47221	1.0
69.47639	0.6
71.01393	2.3
72.99321	0.5
73.02943	1.2
75.62108	0.2
81.03468	0.8
83.05045	1.0
85.02963	23.6
85.28226	0.2
86.03293	0.5
87.00886	5.0
87.01378	0.4
93.03472	8.0
98.19915	0.5
99.04530	0.9
99.51168	0.2
101.02445	0.3
108.02151	0.3
108.97686	0.2
109.02953	2.1
111.00899	3.4
111.04530	2.6
113.02400	0.3
117.01934	0.3
117.65327	0.2
125.02509	0.2
127.04033	5.3
129.01991	0.4
137.02466	0.4
153.01860	0.2
155.03603	0.3
171.03065	1.1
173.00938	0.3
173.04564	2.1
191.05634	100.0
192.06001	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	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.01871	0.3
55.54030	0.2
57.03457	1.5
57.59349	0.2
58.88260	0.2
59.01384	3.4
60.99316	0.2
67.01892	1.5
69.03449	0.8
70.82334	0.5
71.01389	2.4
72.99316	1.2
73.02954	2.3
81.03474	0.9
83.01394	0.2
83.05042	1.0
85.02960	28.7
86.03304	0.3
87.00883	6.7
93.03468	7.8
96.02186	0.2
99.00884	0.6
99.04533	1.1
101.02457	0.4
109.02970	2.3
111.00893	10.7
111.04530	2.7
113.02397	0.2
115.04047	0.2
117.01937	1.2
125.02475	0.2
126.24520	0.2
127.04029	5.2
129.01944	0.8
137.02455	0.4
147.04510	0.2
151.38940	0.2
153.01974	0.2
154.99878	1.0
155.03535	0.5
171.03021	1.7
173.00975	1.0
173.04561	2.4
176.01170	0.6
191.05635	100.0
192.05997	1.9
202.36560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21809	0.2
57.03453	2.0
58.53799	0.2
59.01383	3.9
59.14747	0.2
64.46658	0.3
67.01904	2.1
69.03467	0.3
69.42943	1.7
71.01386	2.7
71.41969	0.3
72.61758	0.3
72.99318	3.8
73.02950	4.9
77.00539	0.3
78.12960	0.2
81.03469	1.0
83.01397	0.7
83.05041	1.3
85.02959	37.2
86.03291	0.5
87.00885	12.2
93.03469	8.4
95.01382	0.3
99.00881	0.7
99.04532	1.3
101.02460	1.0
103.04007	0.4
108.02171	0.3
109.02960	1.7
111.00893	26.9
111.04520	2.8
112.01177	0.6
113.02408	0.4
117.01937	3.3
118.07576	0.3
127.04030	5.2
129.01959	2.4
137.02496	0.3
147.04573	0.3
154.99910	2.9
163.00418	0.4
171.03082	1.7
171.04407	0.4
173.00951	3.8
173.04556	2.1
176.01172	0.7
191.02129	3.5
191.05626	100.0
192.05984	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	193.0505
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.53553	0.2
59.01358	0.2
69.65162	1.0
71.01392	0.4
73.02975	0.3
83.40342	0.2
85.02985	0.7
87.00907	0.5
89.03977	6.2
98.20621	0.5
101.02447	0.4
103.56260	0.3
106.04284	0.9
117.02649	0.6
117.03481	11.9
118.03851	0.4
119.05003	0.3
121.02927	0.3
123.68672	0.3
134.03758	100.0
135.04062	2.3
137.02426	0.8
149.06102	3.6
153.70575	0.3
161.04538	0.5
178.02744	1.4
189.66785	0.3
193.05063	10.7
210.33058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
56.20668	0.3
57.03457	0.5
59.01383	3.6
65.00333	0.5
65.03990	0.3
67.01907	0.4
68.99813	0.3
69.03458	1.4
69.74883	1.5
71.01393	5.6
72.99318	0.9
73.02959	4.0
76.29031	0.3
79.01929	0.4
79.95750	0.4
81.03491	0.3
83.01384	1.9
84.02164	0.3
85.02959	5.4
86.00104	0.8
87.00885	3.7
88.70882	0.3
89.02451	0.8
92.99818	0.4
93.03487	0.5
95.01395	1.3
96.28882	0.2
97.02954	2.3
98.19894	0.5
99.00884	4.4
101.02457	6.7
102.39047	0.3
105.03516	0.3
107.05036	0.8
108.02195	0.8
109.02986	0.8
111.00897	0.9
112.01694	0.3
113.01342	0.4
113.02472	1.6
115.04021	0.3
117.01995	0.4
121.02950	1.5
121.06612	0.5
121.98475	0.3
122.29634	0.3
123.00905	0.9
123.04540	0.9
125.02485	1.9
127.03992	0.4
133.02939	1.9
134.03757	9.2
135.00842	0.4
135.04541	29.6
136.04916	0.9
137.02451	2.2
139.04042	0.7
140.01190	0.4
141.01953	2.0
148.98840	0.7
149.02473	1.1
149.06078	2.6
150.03255	0.4
151.03966	0.4
155.03519	0.7
159.02969	0.4
161.02415	0.9
161.04573	7.6
161.05905	0.5
163.04025	100.0
164.04353	3.1
165.01961	0.8
175.06125	0.5
178.02794	11.4
178.06366	53.0
179.06714	1.6
192.97824	0.4
193.01440	3.1
193.05081	5.9
193.07146	5.2
193.08748	6.0
193.71046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0872
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
55.01894	0.3
57.03453	0.4
59.01383	1.7
65.00337	0.2
65.03954	0.3
67.01894	0.2
68.99817	0.2
69.03458	0.6
70.30393	0.2
70.30750	0.5
71.01391	2.8
72.99323	0.4
73.02952	2.0
75.00866	0.1
81.03477	0.2
83.01393	0.9
85.02959	2.4
86.00121	0.6
87.00884	1.8
89.02469	0.3
93.03475	0.3
95.01398	0.9
95.66670	0.1
97.02972	1.0
99.00887	1.8
100.28027	0.1
101.02455	3.4
107.01443	0.2
107.05047	1.3
108.02213	0.3
109.02980	0.3
111.00887	0.5
112.01688	0.2
113.02490	0.6
113.97884	0.1
115.04029	0.2
121.02959	0.7
123.00888	0.6
123.04520	0.3
125.02455	0.9
133.02946	0.8
134.03754	4.5
135.04538	34.2
136.04907	0.9
137.02473	1.0
138.28171	0.1
139.04005	0.4
140.01213	0.2
141.01941	0.9
142.02705	0.2
149.02429	0.5
149.06076	1.5
149.99704	0.1
150.03273	0.3
151.00386	0.1
155.03436	0.4
161.02417	0.4
161.04575	3.4
163.04024	100.0
164.04355	2.7
175.06186	0.2
177.05569	0.6
178.02849	7.1
178.06366	63.4
179.06702	1.7
193.01491	0.9
193.05052	3.3
193.07129	1.9
193.08708	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	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86609	0.3
57.03461	0.3
59.01401	0.6
66.03499	0.5
67.01913	0.2
69.91092	0.6
69.91477	0.6
71.01420	0.4
75.00896	0.8
80.02716	0.3
80.96555	0.3
81.03456	0.5
87.00919	0.4
93.03467	2.0
95.01425	1.2
104.98803	0.3
105.01938	0.8
106.04291	0.7
107.01405	1.1
107.05003	0.4
108.02182	5.1
109.02968	1.8
112.00784	0.3
117.03495	0.3
121.02987	1.3
122.03777	0.9
122.06113	0.3
123.00898	3.8
123.04541	3.2
124.01656	0.3
125.02464	0.5
133.02986	0.6
134.03766	4.1
136.01669	3.8
136.04231	0.5
137.02460	10.9
138.02881	0.4
145.02957	0.4
149.02399	0.3
149.06050	0.4
150.03247	7.8
150.46709	0.3
151.00407	1.3
151.04057	1.5
151.07661	0.5
152.04874	0.4
152.91769	0.7
161.02435	0.7
162.03284	3.7
163.04039	3.8
165.01965	8.8
165.05608	4.3
167.03549	0.4
167.07196	0.3
177.05579	2.1
180.04309	100.0
181.04668	2.7
195.02974	1.1
195.06651	36.2
196.06963	1.1
203.47874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
58.96288	0.2
59.01378	0.3
61.98836	0.5
66.03469	0.3
68.99604	0.3
69.82604	1.2
80.06946	0.2
82.59512	0.2
84.41232	0.2
87.17736	0.2
95.79000	0.2
96.96004	0.5
98.20544	0.3
109.06602	3.9
111.08172	3.4
122.03749	0.5
123.00864	0.3
123.04534	0.2
125.09733	0.8
135.11816	0.3
138.06873	0.9
150.03268	0.3
151.11234	0.5
152.91782	3.7
152.94498	0.4
158.84610	0.4
160.84224	18.7
165.01907	0.5
167.14427	7.0
167.90472	1.1
168.14775	0.3
179.10783	5.1
180.04286	0.8
180.11270	0.3
194.92970	1.2
194.95538	0.3
194.99358	0.4
195.13911	100.0
195.81107	8.7
195.82936	0.4
196.14252	3.3
205.46948	0.3
212.93837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00334	1.3
59.01384	0.9
65.01469	0.8
65.03967	0.6
65.99859	4.3
67.01898	0.8
68.01418	1.2
68.99813	1.2
69.03458	0.7
71.01384	1.1
72.99312	0.8
76.01945	2.1
77.00337	0.7
78.03508	2.9
81.03477	0.4
85.02946	0.6
89.01488	0.9
92.01429	1.0
92.99825	0.8
93.03472	0.5
94.02980	1.7
95.01383	3.6
97.02951	1.4
101.39845	0.4
104.01425	2.8
104.99832	1.0
105.02217	1.1
106.02978	1.4
108.02193	1.0
109.02959	4.0
116.92846	0.5
119.02511	0.9
120.00918	2.6
121.02961	2.2
122.02457	1.3
123.00891	6.7
125.01216	0.4
125.02443	0.4
126.90510	1.0
132.00931	1.3
133.01715	3.5
136.00426	0.7
136.01668	0.5
137.02457	2.2
138.02008	2.3
138.03210	1.4
150.01987	8.2
151.01462	0.4
153.00761	0.5
153.02023	0.5
153.05646	2.0
153.09186	0.6
153.12869	0.7
160.84196	3.5
162.83931	12.0
163.01498	1.1
166.99858	4.2
167.00917	0.6
167.02170	2.5
168.01778	1.2
169.04030	0.9
169.12419	0.9
179.01060	3.9
180.01790	4.6
182.02213	9.9
197.02051	100.0
197.11812	4.8
197.80820	6.8
198.02420	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52246	0.4
52.13388	0.3
58.24236	0.3
59.01377	0.8
59.60104	0.3
61.98820	1.1
63.02374	0.4
64.01907	1.1
65.00339	0.4
65.03973	1.8
65.99854	0.4
66.03485	0.4
67.01897	0.5
69.03452	0.6
71.01383	1.1
81.03456	0.7
88.01915	0.3
93.03471	1.0
95.01384	1.6
97.02936	0.9
99.23551	0.3
100.70390	0.3
103.97668	0.8
108.02209	0.3
109.02967	13.0
109.06547	0.3
109.09879	0.3
110.02489	0.5
110.03325	0.3
111.00879	0.4
112.01640	0.4
116.44537	0.3
116.92862	1.5
121.02971	2.0
122.02522	0.7
123.00883	4.4
125.02459	0.8
126.90519	1.1
137.02455	20.0
138.01965	1.0
138.03188	1.3
139.00356	0.5
140.03551	3.8
150.01987	3.7
150.82990	0.3
153.01920	0.3
153.05592	1.2
153.12878	0.6
154.91351	0.7
160.84225	7.9
161.84264	1.0
162.83925	22.3
166.01501	1.2
166.99963	3.0
167.02246	9.4
167.03659	0.5
169.04085	0.7
169.12355	0.5
169.90048	0.3
179.10870	0.3
180.00189	0.7
180.01779	16.4
182.02220	7.4
197.02046	100.0
197.11821	4.7
197.15590	0.5
197.80804	10.3
198.02425	2.6
199.01215	0.6
212.00760	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	197.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66578	0.4
59.01385	0.6
65.03992	0.5
69.03471	0.6
69.84869	1.5
71.01380	0.7
80.96508	0.7
81.03460	1.0
83.01392	0.4
89.00333	0.5
90.58376	0.4
93.03432	0.5
94.81409	0.5
95.01395	3.0
95.05045	0.8
96.83414	0.4
97.02966	1.3
99.11967	0.5
109.02956	10.3
109.06592	0.9
121.02987	5.4
123.00906	13.0
123.04530	0.7
124.01711	0.9
125.02435	1.5
126.90461	0.6
135.04541	0.9
137.02460	100.0
138.03220	2.1
139.03960	0.5
149.02452	6.5
151.04112	0.5
152.04814	3.1
153.01979	0.7
153.05600	3.8
153.09171	1.0
154.01466	3.1
154.02577	0.6
164.04814	6.2
166.99881	10.2
167.03508	69.2
168.03838	1.4
169.12411	0.5
178.99930	0.5
179.07146	4.7
181.05066	0.7
182.00529	1.5
182.02286	20.0
182.05852	99.9
183.06169	2.5
184.03775	0.8
197.04652	5.1
197.06288	1.0
197.08211	20.8
197.11877	1.8
198.00458	1.3
198.08537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53778	0.3
58.74918	0.3
59.01379	0.8
61.98833	1.2
69.03466	2.1
70.77824	0.8
70.99711	0.4
71.01377	1.0
78.87841	0.4
83.05036	1.2
95.01390	0.7
97.02960	0.5
97.12250	0.4
103.97683	0.9
105.55161	0.4
112.98580	0.5
116.92896	0.7
121.02931	0.7
123.00913	1.9
125.09720	0.5
126.90418	0.4
138.03218	0.4
141.09235	1.1
151.11295	1.2
153.05675	0.8
153.09248	1.6
153.12878	3.8
154.91464	0.4
160.84224	9.8
161.84282	0.8
162.83925	26.5
166.99887	1.7
169.12361	18.0
169.13849	0.5
179.10789	2.1
182.02222	3.4
197.04692	1.0
197.11845	100.0
197.80815	15.2
198.12189	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.86932	0.4
59.01370	0.5
65.00346	0.7
69.03466	3.2
70.88165	0.5
70.88489	0.9
71.01399	1.4
71.05023	1.1
83.01362	0.6
83.05029	1.1
95.01394	2.1
97.02963	1.5
97.06625	0.9
109.02930	0.8
111.04517	0.8
112.01656	1.6
121.02947	2.7
123.00903	8.2
123.08186	0.8
125.02459	0.6
125.09744	0.8
126.90491	1.6
135.08189	0.6
137.02371	0.5
137.09787	0.5
138.03204	2.0
139.00354	0.5
151.11320	0.7
153.05573	1.7
153.09209	1.7
153.12874	4.3
160.84186	2.6
162.83929	7.8
166.99876	6.7
169.04063	1.1
169.12363	12.5
170.12810	0.6
179.10782	1.6
182.02248	11.4
197.04536	2.6
197.11847	100.0
197.80833	4.1
198.12134	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.53778	0.3
58.74918	0.3
59.01379	0.8
61.98833	1.2
69.03466	2.1
70.77824	0.8
70.99711	0.4
71.01377	1.0
78.87841	0.4
83.05036	1.2
95.01390	0.7
97.02960	0.5
97.12250	0.4
103.97683	0.9
105.55161	0.4
112.98580	0.5
116.92896	0.7
121.02931	0.7
123.00913	1.9
125.09720	0.5
126.90418	0.4
138.03218	0.4
141.09235	1.1
151.11295	1.2
153.05675	0.8
153.09248	1.6
153.12878	3.8
154.91464	0.4
160.84224	9.8
161.84282	0.8
162.83925	26.5
166.99887	1.7
169.12361	18.0
169.13849	0.5
179.10789	2.1
182.02222	3.4
197.04692	1.0
197.11845	100.0
197.80815	15.2
198.12189	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	197.1186
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03444	0.4
59.01368	1.3
61.98798	0.3
68.46838	0.3
69.03462	2.9
69.35852	1.3
69.36292	1.1
71.01384	1.1
71.41021	0.3
79.03345	0.3
81.03475	0.3
83.01385	0.3
83.05022	1.2
85.03023	0.3
85.06609	0.4
93.03478	0.4
95.01408	1.6
97.02961	1.0
97.06580	0.5
97.35844	0.3
98.20686	0.6
109.02979	0.7
110.18841	0.3
111.04513	0.4
112.01627	0.4
116.92873	1.0
121.02969	1.7
123.00896	6.5
123.08144	0.5
125.02423	0.3
125.09705	1.0
126.90522	1.2
137.02452	0.5
137.09711	0.4
138.03218	1.7
139.03986	0.4
141.09215	1.0
151.11298	0.8
153.01939	0.5
153.05551	2.1
153.09253	2.3
153.12863	4.1
160.84218	3.3
162.79056	0.3
162.83923	8.9
166.99844	4.2
169.04057	1.0
169.12352	16.7
170.12766	0.5
170.17844	0.3
178.99876	0.5
179.10803	2.1
182.02222	9.7
197.03493	1.0
197.04572	1.7
197.11841	100.0
197.80836	4.4
198.12181	3.5
201.23528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.41049	0.7
59.01378	1.6
61.62271	0.7
61.98842	4.1
65.00340	1.3
66.03494	0.7
67.01908	0.9
69.03462	1.7
71.01392	3.2
71.05035	1.7
72.99290	0.9
80.05110	0.9
81.03457	0.8
83.05068	0.9
84.47774	0.7
93.13728	0.9
94.54882	0.7
95.01399	4.4
95.05050	1.1
96.47529	0.7
97.02958	2.7
97.06604	16.0
99.08149	4.2
103.97708	1.4
109.02961	1.7
109.06607	1.9
111.00887	0.9
116.92867	3.4
121.02963	4.0
122.03755	2.4
123.00898	15.9
125.02474	1.6
125.09704	1.9
126.03237	1.2
126.90507	3.4
137.02440	1.2
137.09784	1.8
138.03235	4.0
151.11319	1.3
153.01987	1.2
153.05640	4.5
153.12866	100.0
154.13202	2.6
154.91319	2.0
160.84227	33.2
161.84296	3.7
162.83934	84.0
166.99875	11.3
169.04089	1.7
169.12279	0.8
172.89069	0.7
179.10796	19.7
180.11296	0.9
182.02225	22.9
182.04622	1.0
183.02574	0.9
196.81093	0.9
197.02113	5.2
197.04803	5.9
197.06282	1.3
197.08189	2.1
197.11853	14.5
197.15485	2.2
197.80814	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54867	0.4
65.00361	0.4
71.34767	0.7
79.92228	0.3
82.00600	0.5
92.99840	0.6
97.02957	0.6
99.76093	0.4
103.83360	0.3
104.98219	0.4
110.00158	0.5
111.00892	0.9
136.98735	0.5
137.09749	0.4
137.99664	0.4
139.99878	3.4
153.01955	1.3
154.01474	0.9
155.10785	0.7
166.01625	0.4
167.99403	90.5
168.99715	1.4
182.00995	1.8
183.01743	100.0
184.02097	1.9
198.04100	21.1
198.11327	0.4
199.04460	0.5
199.09796	0.7
199.13316	0.4
202.90294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03449	1.2
59.01390	0.5
65.00320	0.7
67.01889	1.3
68.99821	0.5
69.03447	0.5
71.01373	1.0
71.03851	0.6
71.05022	1.0
73.02948	2.6
81.27099	0.4
83.01411	0.7
83.05044	1.4
85.02978	0.9
86.31555	0.4
88.46789	0.5
92.99824	1.9
93.03474	1.4
95.01389	0.5
97.02946	0.6
99.00908	1.6
99.04543	0.4
99.08196	0.8
111.00864	2.8
111.08149	0.6
127.00376	0.5
127.04053	0.5
135.08192	1.2
136.98824	1.6
137.09734	10.6
141.12915	0.4
154.99898	0.5
155.10797	100.0
156.11140	3.2
169.12379	1.5
171.05751	0.5
180.97833	1.0
181.08736	0.6
198.04341	0.8
199.05092	0.8
199.07768	0.8
199.09781	9.0
199.13414	10.1
199.17001	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.77546	0.5
55.01879	1.4
57.03454	1.2
59.01374	1.2
59.68429	0.5
67.01915	0.9
68.99831	0.7
69.03484	0.6
69.51518	1.6
69.51946	2.3
71.01382	3.6
71.05017	1.5
73.02958	7.4
73.15446	0.5
83.05027	1.4
84.02168	2.2
85.02953	4.2
86.03740	3.2
88.92786	0.6
92.99841	1.4
95.05058	1.3
97.06603	4.4
98.19946	0.7
99.00891	1.7
99.08168	1.7
107.68875	0.7
109.06632	0.8
111.00846	1.3
112.01679	0.6
112.05313	8.5
115.07654	4.7
125.09714	2.3
127.07697	2.9
127.11306	7.0
129.01959	4.0
130.02737	38.6
131.03104	0.8
133.02902	0.6
137.09738	11.3
139.07759	0.7
153.09180	1.1
155.10797	100.0
156.11131	2.4
162.01680	0.7
171.10278	0.9
179.43878	0.6
181.08737	3.3
183.30179	0.6
190.53932	0.5
199.09766	7.1
199.13486	2.6
199.17036	1.2
215.46822	0.5
218.88776	0.6
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
57.03458	0.7
59.01376	1.6
65.00313	0.5
67.01904	1.3
68.99846	0.6
71.01403	0.7
71.05017	1.3
71.55901	0.6
73.02973	0.7
76.83563	0.4
78.91913	0.7
81.03463	0.5
83.01396	1.4
83.05039	1.2
85.02962	1.1
90.00763	0.4
92.99829	2.2
97.02956	0.7
99.00905	2.1
99.04559	0.5
99.08161	0.7
109.03016	0.6
111.00892	3.0
113.02429	1.0
127.00360	0.5
135.07988	0.5
136.98857	1.1
137.09735	6.6
154.99860	0.8
155.10805	100.0
156.11148	3.2
156.89520	0.8
169.12381	1.1
180.97920	0.6
181.08733	1.3
199.05048	0.5
199.07811	0.7
199.09770	9.9
199.13399	8.3
199.17061	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1342
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03443	0.4
59.01397	0.2
67.01891	0.6
69.03457	0.3
70.64309	0.6
71.01380	0.3
71.05030	1.3
76.60105	0.2
80.08908	0.3
80.73318	0.2
83.01376	0.4
83.05037	0.5
85.02964	0.4
87.00798	0.2
92.99823	0.5
97.06571	0.3
99.00878	1.0
99.08139	0.5
111.00891	0.9
115.73721	0.3
125.09789	1.5
127.11308	4.2
136.98817	0.6
139.03886	0.3
145.65787	0.3
153.12857	0.9
155.10767	1.5
155.14456	0.7
162.83932	0.3
163.11258	0.3
164.83582	0.3
169.12303	0.5
171.05634	0.4
171.10280	0.5
181.12360	0.9
197.11899	1.8
199.13412	100.0
199.80444	0.3
199.91592	0.3
200.03592	0.2
200.13748	3.8
207.13707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1342
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
58.56221	0.4
59.01374	1.0
61.53089	0.4
65.97099	0.4
66.05892	0.4
66.27682	0.4
69.80244	1.7
69.80650	0.9
87.97405	0.4
92.98411	0.4
92.99817	0.5
98.20710	0.6
99.00898	0.8
99.08153	0.5
102.19804	0.4
111.00890	0.6
135.35490	0.4
147.36882	0.4
154.99829	0.7
155.10803	1.1
163.11299	1.1
166.49147	0.4
169.11032	0.7
169.12360	6.7
181.12355	23.6
182.12653	0.9
197.11873	1.9
199.13409	100.0
200.13788	3.5
200.25615	0.4
201.48076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01687	0.3
59.01386	100.0
60.01720	0.7
66.73653	0.3
70.56921	0.9
113.04605	0.6
114.68845	0.3
115.02543	0.5
139.69986	0.3
157.03578	6.2
158.03784	0.4
159.01515	1.9
173.50467	0.3
181.83125	0.3
201.02576	12.8
202.02673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03458	7.0
59.01384	5.5
62.03570	0.4
66.46224	0.5
69.25160	3.9
83.80932	0.4
111.08158	5.6
137.09715	2.6
139.11308	100.0
140.11673	1.9
141.12933	0.5
157.12354	1.3
183.10287	45.7
184.10622	1.1
201.11343	76.7
202.11555	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1499
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.68945	0.4
57.03452	0.7
59.01385	39.6
69.03466	0.6
69.50931	3.4
87.04484	0.6
94.12404	0.5
95.84958	0.5
99.04522	0.6
99.92547	0.6
111.00923	0.5
125.09753	2.5
127.11327	0.8
131.37294	0.5
139.11311	1.7
155.14450	5.7
157.03566	0.9
159.01509	1.2
164.83559	1.2
173.06099	1.1
183.10245	0.7
183.13861	2.5
199.13480	0.6
201.02576	4.4
201.05505	2.4
201.11383	6.9
201.14978	100.0
201.80327	0.6
202.05156	1.1
202.15289	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
57.13942	0.8
69.72300	2.7
69.72712	1.6
72.00919	23.9
74.02480	32.4
84.93223	0.8
115.52300	1.0
116.05076	100.0
117.05415	1.7
130.06641	2.5
142.06641	27.3
143.06960	1.0
147.40685	0.9
157.07716	1.3
159.09288	18.1
170.73753	0.9
186.05617	3.9
203.08279	55.8
204.08701	1.3
215.64169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03445	0.3
59.01385	2.0
69.03465	0.6
69.38645	1.1
69.39068	1.2
71.01386	1.2
72.99335	0.4
85.02962	0.5
97.02955	0.4
97.06602	0.3
99.08150	0.4
103.92056	0.4
103.94621	0.3
105.46526	0.3
113.02452	0.4
121.90759	0.3
125.09724	0.7
127.11309	13.9
137.09720	0.6
139.11301	0.5
155.10791	8.3
156.11087	0.3
157.12350	46.6
158.12701	1.7
159.04523	0.5
160.04068	0.5
175.03978	0.4
182.08231	0.3
185.11877	0.7
201.11369	0.7
203.03438	0.9
203.12888	100.0
204.13232	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	204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01069	0.3
59.01386	17.9
60.01722	7.5
61.01812	2.5
61.98837	100.0
62.02145	0.3
69.59276	0.8
75.00881	0.1
83.05024	0.1
98.20618	0.3
103.34693	0.1
126.09227	0.4
142.91884	0.1
143.86497	0.5
159.03331	0.2
160.03659	0.7
161.01210	0.2
161.87540	0.2
162.01630	0.4
176.03462	0.2
204.00018	0.7
204.02698	2.7
204.06624	0.2
204.12329	0.5
205.04956	0.2
205.15961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
56.01813	1.0
57.03469	2.6
58.00581	1.7
58.02968	1.4
59.01382	25.9
61.48205	0.9
67.01889	7.0
68.99828	2.9
69.54947	6.0
69.55348	2.4
71.01392	32.2
71.05024	3.4
71.18773	1.0
72.99313	48.9
73.02950	9.4
73.99625	1.0
75.00882	11.4
81.03487	1.6
83.01396	10.9
85.02966	9.5
87.00891	25.2
89.02444	2.3
96.99325	3.2
98.20618	2.1
99.00893	15.8
99.04521	7.5
101.02454	10.2
103.00364	2.6
111.00896	100.0
112.01234	1.1
112.98817	6.9
113.02478	1.1
114.16969	1.0
115.00392	31.1
115.04004	3.0
117.01942	5.5
118.03331	1.6
124.98823	5.0
125.02466	24.6
127.00381	4.4
129.01971	8.2
142.99904	8.3
143.03557	5.9
143.07173	1.7
145.01447	8.9
154.99890	16.5
157.01352	1.5
161.04465	1.1
173.00931	13.8
175.02534	2.1
187.02458	3.2
205.03535	8.3
205.07123	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	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03452	1.6
59.01387	8.7
61.98858	1.3
67.01894	5.8
68.99828	0.9
69.46877	1.4
69.47290	3.6
71.01385	10.3
71.05019	1.2
72.99316	42.4
73.02956	6.7
75.00869	4.5
80.96501	1.0
83.01397	8.0
85.02966	11.5
87.00890	9.5
91.90088	0.7
96.99348	1.2
97.06576	1.3
99.00895	8.1
99.04539	1.6
101.02463	4.8
111.00895	100.0
112.01250	1.7
112.98849	1.2
115.00378	8.3
115.04012	2.5
117.01965	1.4
124.98853	1.4
125.02460	5.0
129.01965	5.3
131.03758	0.9
133.02971	0.9
142.99889	1.1
143.03526	7.6
143.07117	3.7
145.01416	2.0
145.05121	1.3
147.03297	1.2
148.04062	1.1
149.06041	0.9
154.99893	15.7
160.04099	1.2
161.02434	1.3
161.06007	1.0
161.07207	2.8
163.02681	0.8
163.11336	1.0
173.00931	11.8
175.02757	13.9
177.01993	1.2
179.19096	0.7
187.02434	0.9
190.02650	0.8
205.01610	1.7
205.03519	4.2
205.06387	5.7
205.12395	1.2
205.16003	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	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96592	2.0
55.01878	7.3
57.03440	6.8
58.58610	2.1
59.01103	3.8
59.01384	48.9
59.18121	2.0
60.99287	3.0
61.98832	10.0
67.01891	2.8
68.99818	6.5
69.40849	15.0
71.01390	54.8
71.05026	4.4
72.99308	37.5
73.02978	11.2
75.00882	33.0
80.07426	2.4
81.03427	4.0
83.01408	17.7
85.02959	17.2
87.00882	32.8
89.02473	8.0
93.03455	2.5
93.40108	2.5
96.21174	2.3
96.99303	2.7
99.00896	27.4
99.04569	4.1
100.98807	3.3
101.02441	9.5
103.00368	4.1
111.00883	31.3
112.98827	45.7
114.99563	3.5
115.00386	61.3
117.01939	10.3
124.98815	8.5
125.02454	29.5
127.00372	5.2
129.01964	14.9
142.99893	14.7
143.03497	3.3
145.01457	14.0
146.02524	6.6
147.03316	5.6
148.04057	8.9
148.63690	2.2
154.99852	11.6
157.01346	2.8
160.04068	6.3
161.02409	4.0
161.07164	5.3
162.05566	3.1
163.11305	2.9
173.00905	6.8
174.02034	2.9
175.02762	100.0
176.03081	2.9
177.06741	2.5
187.05186	3.5
190.02719	3.2
205.03448	6.5
205.06245	38.0
205.12331	3.8
205.15982	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1599
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01376	0.5
61.98816	0.3
68.53093	0.1
68.99876	0.1
71.01374	0.4
72.99298	0.2
75.00900	0.1
75.28628	0.1
79.17485	0.1
80.49451	0.1
82.74282	0.1
87.00882	0.2
100.99985	0.1
115.00380	0.4
117.04605	0.2
147.04544	0.1
149.09648	0.2
161.02435	0.3
161.06071	0.2
162.03244	0.1
162.89349	0.4
175.02742	0.5
177.01923	0.2
188.89857	0.1
189.12871	2.5
205.15982	100.0
206.16322	4.9
206.18307	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02982	32.8
66.93070	0.7
69.21853	4.0
69.22272	2.4
69.86627	0.7
70.02983	9.7
72.00916	5.4
76.75104	0.7
89.20593	0.6
91.05544	12.6
91.06119	0.7
94.06989	0.6
103.05548	1.5
119.05032	0.9
135.04559	1.1
147.04533	37.1
148.04837	1.4
162.09285	1.3
164.07176	100.0
165.07510	2.7
177.01923	0.8
190.99773	1.0
192.04285	0.8
206.08235	35.5
207.08501	1.1
216.10196	0.7
219.23915	0.6
225.70372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	L-glucaric acid
Peak:m/z	Relative Intensity
55.01881	2.4
57.03454	12.8
59.01386	14.8
68.99822	1.2
70.30907	1.1
71.01389	28.1
72.99317	6.2
73.02943	0.6
75.00879	4.5
83.01401	2.4
84.02164	3.1
84.43613	0.4
85.02962	100.0
86.03323	1.2
87.00872	3.2
89.02458	8.7
96.96040	0.7
99.00874	0.8
101.02446	0.9
103.00360	2.5
111.00894	2.1
112.98814	0.7
115.00369	2.2
120.23997	0.4
121.03050	0.8
129.01968	6.6
131.03529	0.4
133.01447	10.0
137.02443	0.5
142.99886	2.2
147.03003	3.3
173.00935	1.2
179.03459	0.7
191.02002	21.7
192.02261	0.5
198.21370	0.4
209.03038	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03457	12.3
58.00588	0.6
58.99605	1.3
59.01385	15.1
68.99831	1.1
69.56594	1.0
69.57001	2.0
70.19132	0.5
71.01390	28.3
72.67970	0.5
72.99322	6.5
73.01180	1.9
74.99110	1.0
75.00876	4.3
80.91861	0.4
80.96560	0.8
82.96464	0.5
83.01401	1.9
84.02161	3.3
84.20373	0.5
85.02962	100.0
86.03288	1.4
87.00879	4.1
89.02458	9.6
96.96022	1.1
98.20565	1.0
99.00893	0.7
101.02471	1.0
103.00384	2.3
103.02242	0.6
111.00892	1.7
112.98800	1.2
115.00393	2.2
121.03259	1.7
122.27098	0.5
124.98850	0.5
129.01970	5.7
133.01453	11.1
136.99100	0.7
142.99852	3.9
147.02988	3.9
167.83696	0.4
173.00916	2.1
179.03514	1.7
191.01999	19.2
191.05682	1.0
192.02516	0.6
194.05833	1.3
209.03053	25.0
209.04733	1.1
209.06558	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	209.0305
Annotation	L-glucaric acid
Peak:m/z	Relative Intensity
50.50131	0.5
55.01877	1.9
56.67920	0.5
57.03455	12.2
59.01385	15.6
67.63747	0.4
68.99821	1.8
69.48381	3.6
71.01388	30.0
72.99318	6.5
73.02941	0.7
75.00878	3.8
83.01388	1.9
84.02196	2.4
85.02959	100.0
86.03329	1.1
87.00896	3.4
89.02451	11.6
96.96031	1.0
100.74686	0.5
101.02460	0.9
103.00385	2.4
111.00878	1.3
115.00369	1.7
121.02988	1.0
129.01955	6.1
131.20932	0.4
133.01442	11.6
137.02423	0.5
141.42841	0.4
147.03012	3.2
157.89352	0.5
161.02437	0.6
173.00800	0.6
179.03499	1.0
191.00249	0.8
191.01996	16.4
194.02254	0.9
194.05869	0.8
208.49060	0.5
209.03029	28.2
209.11845	0.6
210.03358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74974	0.3
57.03481	0.9
59.01411	1.5
65.00358	0.5
68.99843	0.4
69.74435	2.0
71.01398	2.0
72.99336	0.4
80.02716	0.5
81.03452	1.8
83.05032	2.6
84.02208	0.3
85.02956	6.7
89.02488	0.7
89.94965	0.3
91.58524	0.3
92.99847	0.8
93.03501	0.9
94.03054	0.9
95.01459	0.6
95.05064	0.9
100.94051	0.3
104.24171	0.4
105.03522	0.4
107.05074	1.3
108.02226	0.7
109.03001	0.7
121.02966	23.9
121.06554	0.4
122.03306	0.4
123.04549	5.0
124.04065	1.6
124.04865	0.4
133.01524	0.5
133.02933	0.4
135.08249	0.6
136.01703	0.8
136.98834	0.6
137.02463	1.0
147.03021	0.4
149.02487	0.5
149.06084	0.8
150.03171	0.3
151.04019	30.7
152.04401	0.9
161.02444	2.2
163.11282	2.7
164.98309	0.9
165.01932	0.4
165.05582	1.3
165.12860	1.2
176.04811	0.9
179.03516	99.0
180.03845	3.3
181.12363	0.7
182.44621	0.3
191.00017	0.5
191.01967	1.5
193.05078	1.5
194.05858	100.0
195.06192	4.3
209.01123	0.5
209.02914	1.2
209.04579	3.3
209.06206	0.8
209.08228	28.5
209.11824	30.3
210.08470	1.0
210.12199	1.0
224.35722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
56.67812	0.5
57.03457	1.4
59.01380	2.1
65.00342	0.5
66.01102	0.9
69.82697	2.3
71.01388	3.9
72.99313	0.6
75.00876	0.6
77.03980	0.9
81.40290	0.6
83.01369	0.7
84.02190	0.5
85.02961	12.3
89.02468	1.2
91.01912	1.6
93.03478	2.6
95.01407	0.9
95.05034	1.5
105.03465	8.8
107.05048	0.7
111.00913	0.5
114.96362	0.5
117.03468	0.5
120.02195	3.8
121.02967	100.0
122.03263	2.9
123.04524	0.7
124.04020	1.0
129.01926	0.9
133.01411	0.9
133.02974	5.5
135.04559	0.8
136.01668	1.1
137.02486	1.1
147.04532	0.8
150.03221	1.8
151.04019	29.3
152.04326	0.8
157.97531	0.6
161.02455	62.4
162.02820	1.9
165.05513	0.7
175.04048	0.7
176.04794	28.2
177.05199	1.2
179.03508	95.7
180.03815	3.2
181.05179	0.6
190.99860	0.4
191.02005	2.3
191.07138	10.4
193.05008	1.1
194.02173	2.3
194.05852	86.0
195.06195	2.5
209.02924	2.4
209.04579	11.1
209.08191	22.0
209.11771	2.1
210.08568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.54157	0.4
54.85509	0.4
55.01892	3.4
57.03456	2.4
61.72774	0.4
62.27564	0.4
65.00306	0.4
69.03467	0.8
71.01378	0.6
71.05020	0.9
75.78820	0.4
80.02686	0.9
81.03464	4.8
81.27101	0.4
83.01395	31.4
83.05037	4.1
84.01714	0.5
84.02164	1.6
85.02982	0.5
92.99816	1.2
93.03426	0.6
94.02973	0.8
95.05025	1.8
97.06595	5.3
99.04570	0.6
101.92221	0.4
104.11547	0.4
111.08186	0.8
120.02187	0.5
121.02975	16.7
121.47473	0.4
123.08164	3.0
124.04089	1.4
125.09737	28.1
126.10088	0.7
134.03702	0.5
135.08199	2.0
147.11819	1.3
147.75604	0.4
161.09654	0.5
163.09900	0.6
163.11301	11.3
164.98337	0.7
165.12846	4.2
179.03503	0.6
181.12363	1.7
191.10806	8.8
192.11093	0.5
194.02249	0.5
209.04648	2.0
209.11839	100.0
210.12167	3.8
229.20534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Pulchellon
Peak:m/z	Relative Intensity
50.11936	0.6
52.35357	0.6
56.87426	0.6
57.03455	6.3
59.01403	4.2
61.98830	3.5
65.00339	3.2
66.03493	0.7
69.03463	3.1
71.01390	12.1
71.05040	1.4
71.56030	0.7
72.99340	0.6
73.02943	1.2
76.23862	0.6
80.02673	2.0
81.03476	2.1
83.01385	3.3
83.05029	5.1
84.02176	1.3
85.02966	2.4
88.04032	0.6
91.01917	1.8
92.99831	6.9
93.03469	2.0
94.03008	4.0
95.01404	1.5
95.05043	2.9
96.96039	2.8
97.02975	0.7
97.06606	4.9
107.05029	0.7
108.02208	1.0
109.02954	1.1
109.06606	0.9
111.08176	2.4
118.94221	2.0
120.02190	2.2
121.02970	100.0
122.03249	3.1
123.00893	0.8
123.08178	1.7
124.04053	9.8
125.02512	0.8
125.09743	8.6
135.08182	2.0
136.01695	1.4
136.98824	4.2
137.02405	1.5
137.09763	0.8
145.10245	1.4
147.08261	0.7
147.11790	2.2
149.09718	0.9
151.04024	1.3
151.07698	0.9
151.11296	21.8
153.12880	2.0
161.02461	2.0
161.09729	1.2
163.11302	7.5
164.98338	7.6
165.05597	1.1
165.09270	1.0
165.12851	17.0
167.10796	3.9
173.09734	2.6
176.04762	0.9
179.03542	3.9
179.10767	5.9
181.05190	0.8
181.12355	24.5
190.99911	1.0
191.07132	1.0
191.10812	13.4
194.02289	3.3
194.05850	3.7
208.97331	1.2
209.01060	0.7
209.02757	1.1
209.04590	14.0
209.11847	90.7
209.94943	1.8
210.00233	0.7
210.12196	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	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.32270	1.1
57.03452	3.4
59.01384	9.7
65.00315	1.3
65.03969	1.2
67.01894	1.4
69.03458	26.4
69.28086	9.9
71.01396	1.9
71.05039	3.0
79.78906	1.1
83.05020	4.4
85.02950	2.4
92.99853	1.2
93.03458	3.4
94.02969	1.7
95.05017	3.3
96.96008	6.5
97.06532	1.6
108.05817	2.5
109.06603	2.0
110.11389	1.2
110.72157	1.2
111.08149	4.3
121.02972	24.7
121.10252	2.5
124.04081	3.1
127.07693	2.1
135.08183	2.3
147.11841	2.6
153.09224	9.4
163.11293	3.4
165.09209	3.6
165.12848	20.2
179.03522	3.1
181.12364	22.9
191.10812	27.5
194.05823	3.7
209.04604	4.1
209.08502	4.6
209.11836	100.0
210.12181	4.6
218.46190	1.1
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
53.25276	0.4
54.26156	0.4
58.91925	0.4
59.01371	0.7
60.97329	0.4
61.98823	2.0
69.50991	0.4
70.85667	1.3
78.52187	0.4
81.03474	0.4
83.01387	1.5
85.02953	0.5
85.29651	0.4
88.35297	0.4
92.99821	1.6
93.03469	0.5
94.03037	0.5
96.96003	1.0
118.94231	1.0
120.02166	0.6
121.02969	27.8
121.23797	0.5
122.03281	1.1
124.04037	1.8
125.09755	1.2
125.71785	0.4
126.64959	0.5
128.41641	0.5
136.98817	0.9
144.71280	0.5
161.02425	0.7
163.11351	0.5
164.98297	0.8
165.05487	0.4
165.12865	1.0
165.48598	0.6
167.10780	0.9
169.94757	0.4
179.03531	1.2
191.10704	0.6
194.02144	0.6
194.05884	0.9
208.97263	0.5
209.04562	3.4
209.11838	100.0
209.94833	0.7
210.12195	3.8
223.10384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57749	0.3
65.00338	1.1
65.73672	0.3
66.25070	0.3
67.01894	0.3
71.56425	0.4
81.03502	0.4
83.08701	0.3
86.06042	0.3
90.12557	0.3
95.01405	0.7
96.96053	0.5
97.02960	5.7
108.02208	0.4
109.02949	0.5
122.00110	0.4
123.00904	0.4
125.02452	0.6
137.02460	1.8
149.02480	0.3
151.07675	0.5
153.01956	33.4
154.02277	0.6
155.03546	0.3
166.99655	0.3
167.03519	0.9
179.43616	0.3
181.01447	100.0
182.01775	2.6
183.13882	0.5
195.03065	1.3
196.03787	88.1
197.04132	2.7
211.06140	23.5
211.13414	3.7
212.06490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.80547	1.3
65.00341	1.2
65.98940	1.0
67.30246	0.9
70.15045	0.9
76.60887	1.0
77.80386	0.9
80.06058	0.9
81.03455	1.0
83.05067	1.0
85.02956	1.1
95.01385	2.5
97.06587	1.5
98.20680	1.5
108.38615	1.1
111.04552	2.2
121.02954	3.1
122.03321	1.2
123.00901	2.9
123.03481	2.2
123.04392	1.0
123.08138	1.0
124.01655	1.1
124.04076	1.0
125.01624	1.7
125.02469	16.4
125.06131	1.6
130.10339	1.1
135.03502	1.4
135.04547	25.3
137.02458	1.7
139.04030	1.4
139.07654	1.6
151.00243	1.0
152.01205	5.4
153.05600	3.6
155.00108	1.1
163.04024	100.0
164.04387	2.6
167.06184	2.2
173.96318	1.0
178.06372	83.4
179.06657	3.0
181.01495	7.2
181.05080	45.6
182.05333	1.3
192.97762	1.7
193.08710	34.1
194.09097	1.7
196.02139	1.8
196.03661	5.6
196.07431	48.5
197.07719	1.9
201.44701	0.9
211.06223	2.6
211.07751	1.3
211.09760	27.1
211.13235	7.9
212.10013	1.8
228.89896	0.9
229.01703	1.0
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
69.03465	0.5
70.10525	1.2
82.73792	0.3
83.05038	0.4
93.18624	0.3
155.10855	0.4
165.12810	0.7
167.10776	0.7
167.14441	1.6
183.13919	14.4
184.14232	0.7
193.12331	4.8
211.13405	100.0
212.13759	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	213.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
58.44720	0.4
59.01395	0.6
66.75721	0.3
71.28695	0.4
71.29034	0.6
79.87802	0.4
82.78071	0.3
93.03482	0.7
97.06588	1.0
116.07205	0.4
125.02483	0.7
125.09682	0.6
141.16562	0.3
151.11299	13.4
152.11636	0.4
169.12358	100.0
169.99684	0.9
170.12700	3.4
183.13914	4.9
194.99309	0.8
195.02974	0.5
195.10162	1.0
195.13943	3.5
197.99179	2.4
213.01622	2.1
213.03474	0.6
213.05597	0.5
213.11386	15.4
213.14969	18.3
213.18347	0.8
214.01688	0.4
214.15291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
51.92657	0.3
59.01366	0.4
66.59725	0.3
69.03457	0.4
70.36695	0.2
80.90582	0.3
83.05039	0.3
95.05042	0.3
97.02930	0.4
97.06590	1.3
151.11296	12.1
152.11646	0.4
159.65938	0.3
169.12352	100.0
170.12698	3.4
183.13928	1.7
184.05290	1.0
195.10231	1.1
195.13913	1.7
197.99216	0.8
213.01720	0.6
213.09541	0.6
213.11346	15.6
213.14935	8.9
213.18451	0.5
214.05109	6.9
214.11574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.30232	0.4
59.73816	0.5
61.21011	0.4
69.04839	0.4
70.11106	1.6
90.83277	0.4
96.96043	0.9
97.02969	0.7
98.20302	1.3
121.86967	0.5
183.13919	26.6
184.14235	0.8
186.02010	0.7
195.13925	22.6
196.14262	1.1
197.99213	3.9
211.13391	0.9
213.01599	1.7
213.14989	100.0
214.15329	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.66746	0.5
58.63073	0.5
59.01384	1.0
67.63538	0.5
70.64522	1.5
72.38698	0.5
101.63026	0.5
116.84400	0.4
120.34228	0.5
183.13910	25.4
184.14278	1.1
195.13925	21.5
196.14264	0.8
211.13449	0.8
213.14981	100.0
214.15364	4.3
227.01108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93584	0.4
59.01379	1.4
71.01374	0.6
71.56309	0.7
73.97372	0.4
81.03468	0.4
93.03454	0.5
98.20647	0.4
119.10399	0.4
121.02937	0.5
125.02419	0.4
137.00261	0.4
151.01913	0.5
151.11308	0.4
153.57841	0.4
167.10730	0.7
169.12370	1.6
177.12956	0.8
183.13918	31.6
184.14348	0.9
185.11836	1.0
188.09113	0.5
195.13922	25.0
196.14284	1.0
197.99173	2.1
209.96397	0.4
211.13402	0.5
213.01674	0.9
213.04504	0.8
213.11464	3.0
213.14987	100.0
214.15324	4.0
218.63460	0.5
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	Nepodin
Peak:m/z	Relative Intensity
53.87453	0.1
53.97251	0.1
57.03443	0.4
59.01379	0.4
65.00325	0.3
71.01389	0.4
83.05042	0.2
86.84810	0.1
87.00920	0.1
89.02469	0.5
95.59567	0.2
99.00887	0.2
101.02466	0.3
115.05491	0.2
125.09760	0.4
138.56042	0.1
144.00926	1.6
151.11293	0.2
152.98340	0.2
153.12866	10.4
154.13159	0.3
161.90546	0.2
171.02013	0.3
171.10243	0.2
171.13934	0.4
172.05330	3.0
173.05756	0.2
187.07674	0.5
197.11853	11.4
198.12202	0.4
200.04805	27.0
201.05121	1.2
215.01067	13.2
215.07141	100.0
215.12852	22.5
216.01340	0.3
216.07483	4.6
216.13229	0.7
232.03780	12.0
233.04079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0827
Annotation	6052-68-2
Peak:m/z	Relative Intensity
57.03448	1.5
57.74677	1.1
58.75730	1.0
59.01376	4.5
65.00329	1.9
69.94161	4.1
69.94569	2.7
70.90917	1.1
71.01392	3.4
71.67110	1.2
72.00538	2.3
72.00915	20.7
78.90897	1.1
83.05041	2.6
84.74475	1.1
85.02970	3.2
86.02489	97.6
87.02788	1.3
92.05074	97.1
93.03474	3.5
93.05378	1.9
97.06647	1.3
98.20015	1.7
99.00911	1.2
99.04575	1.6
111.04541	2.1
116.05081	100.0
117.05419	1.9
125.09753	2.0
127.03968	1.8
128.03638	1.4
129.05847	3.9
130.06651	2.8
133.02948	1.3
135.04585	2.3
142.06645	42.3
142.07770	2.0
143.06158	3.1
143.11945	1.7
144.00941	13.2
144.08189	14.1
153.09239	1.8
154.06644	9.0
154.74593	1.3
156.06973	9.6
161.04816	2.5
167.06265	1.8
169.07713	17.9
169.08875	1.6
171.01981	2.8
171.09291	93.0
172.00363	1.6
172.04019	1.3
172.09651	2.8
215.01027	99.9
215.05629	18.1
215.08316	56.5
215.12866	3.4
216.01302	4.8
216.08591	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	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.84700	0.6
57.03453	0.9
59.01381	2.5
65.00330	2.7
69.03468	0.7
70.25643	0.8
70.25988	1.8
71.01384	1.6
83.05043	0.7
89.02455	1.3
98.19968	1.0
99.00907	1.0
101.02455	0.9
108.02206	0.7
108.99261	0.7
113.02493	0.6
122.89469	0.7
125.09702	1.6
137.02524	0.8
144.00923	8.5
151.11301	1.3
152.98314	1.5
153.12866	48.8
154.13200	1.6
156.97820	0.7
171.02058	1.4
171.13916	1.9
172.00468	0.9
172.05287	3.2
187.07616	0.8
197.11839	44.4
198.12169	2.2
200.04807	28.8
201.05157	1.6
206.52728	0.5
215.01022	58.1
215.07143	100.0
215.12872	93.8
216.01361	3.4
216.07503	4.3
216.13248	3.8
232.03781	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	217.1083
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01384	2.6
71.56335	0.7
73.02966	0.5
79.71043	0.4
85.35932	0.4
96.27904	0.5
99.08163	0.5
116.04333	0.4
118.74880	0.4
125.09731	0.9
127.11298	2.8
137.09731	2.8
153.09297	1.0
155.10797	40.1
156.11102	1.1
171.10286	56.5
172.10614	1.9
174.99178	1.0
181.08727	0.6
199.09744	6.5
202.02904	0.4
217.10817	100.0
218.11197	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	217.1195
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.70291	1.0
55.56366	0.9
58.87151	0.9
59.01385	77.5
71.01388	5.0
71.05045	2.8
71.54495	1.5
72.00928	0.9
72.99337	2.3
73.02988	1.5
73.04078	12.8
74.06802	0.8
77.19639	0.9
77.36794	0.9
82.03011	0.9
83.05051	0.8
85.02969	2.9
87.00896	2.4
88.04047	12.9
88.04510	1.1
88.62933	0.8
89.02488	0.9
90.97167	1.9
91.24390	0.9
93.03459	1.9
96.96020	14.3
99.04517	1.4
109.06639	1.0
111.04536	1.6
111.08133	0.9
113.02509	1.1
125.06094	1.0
127.04032	3.6
129.05670	0.8
130.08752	90.9
131.09108	2.7
132.98267	2.5
137.06068	1.6
141.10381	1.5
143.11923	22.9
143.13063	1.2
146.08252	8.2
155.07178	1.7
157.05147	0.8
173.04596	3.4
174.99260	22.9
181.05080	1.9
187.10896	100.0
188.11319	3.8
199.06096	1.4
199.10938	2.4
202.02785	1.0
203.05940	1.2
216.98198	1.9
217.00162	16.1
217.03394	1.1
217.05203	1.7
217.07224	6.4
217.12015	42.4
218.04787	1.2
218.10367	5.4
218.98480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49031	0.1
62.54008	0.1
71.56654	0.1
76.72189	0.1
90.48265	0.1
108.02184	6.4
109.02505	0.2
118.06645	0.6
138.01984	100.0
139.02344	2.2
169.20973	0.1
217.97665	5.4
219.17523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1036
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.20116	0.4
59.01385	3.1
60.01707	0.6
69.32847	2.9
69.33267	1.0
71.01392	11.2
71.05029	19.1
72.00945	0.4
88.04052	100.0
89.04370	0.7
99.04531	6.1
116.07214	2.3
121.02977	0.6
124.09914	0.5
129.05586	0.9
146.08255	49.2
147.04544	0.5
147.08575	1.2
160.05211	0.5
174.01984	1.2
175.99541	0.4
218.00787	0.6
218.10350	22.7
219.06696	1.7
219.10590	0.9
219.17549	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	219.0777
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
59.01376	3.7
61.22238	1.1
61.98837	1.8
68.87315	1.1
71.01398	2.1
71.55948	2.3
72.00919	11.8
73.02950	1.2
74.02480	34.2
75.00877	3.7
79.55941	1.3
83.04965	1.4
84.76622	1.1
86.02489	6.0
92.05051	1.7
93.03480	2.1
96.96014	2.8
98.95599	1.8
116.05125	2.1
118.06651	3.8
121.02983	4.4
121.83770	1.1
129.01982	1.8
130.06635	4.6
131.03770	3.6
132.04567	100.0
133.04921	2.3
144.04567	84.2
145.04968	2.5
146.06129	1.7
147.00906	1.6
147.04556	4.9
148.07646	1.4
153.10155	1.3
157.07722	36.6
158.06139	14.5
159.04543	2.2
160.05380	2.5
161.02460	1.3
163.00427	1.7
163.04108	1.4
175.04051	5.6
175.07430	2.1
175.08804	24.0
189.68147	1.2
191.03506	2.3
201.06741	5.8
202.05150	1.7
204.04265	5.8
218.99326	2.2
219.03090	9.7
219.07816	86.5
219.12128	5.8
219.17557	38.9
220.08128	2.4
220.17860	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	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01382	0.7
69.86809	0.6
88.76350	0.2
98.19958	0.2
103.22382	0.2
127.07661	0.6
141.14185	0.2
148.05307	0.5
149.06012	0.4
151.07680	0.3
164.08434	2.2
164.43185	0.1
165.09164	0.2
177.05560	0.2
205.12352	1.7
206.12708	0.9
207.13913	1.3
220.14696	4.1
220.16811	0.3
221.15466	100.0
222.15794	5.3
235.13428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.4
57.03453	17.5
59.01387	11.7
67.01900	0.7
67.12186	0.6
68.78269	0.5
68.99817	2.2
69.47649	1.2
69.48049	3.2
71.01385	15.1
72.99313	6.7
73.02966	3.3
75.00879	6.5
79.28916	0.6
79.95708	0.8
83.01384	12.4
84.02169	3.3
85.02956	100.0
86.00130	0.8
86.03289	1.6
87.00890	6.0
91.01847	0.7
93.03457	1.7
95.01410	1.0
96.96046	0.8
99.00896	2.1
101.02451	11.8
101.92194	0.6
103.00378	1.7
103.04029	1.3
109.02935	1.0
110.00037	0.7
111.00892	43.8
112.01196	0.9
115.00369	0.6
121.02962	2.5
123.00841	1.1
125.02411	1.3
129.01955	29.1
135.04510	2.5
136.04056	0.7
137.02446	1.2
142.43353	0.6
143.03502	1.4
146.17595	0.6
147.03026	6.2
149.02455	6.4
151.00258	0.8
151.03960	0.9
152.01100	1.1
161.04591	1.6
163.04005	1.6
164.04816	3.5
165.01883	2.3
178.99768	0.6
179.03435	1.8
179.07111	1.8
187.02411	2.9
191.01871	0.9
193.01431	10.4
193.05005	0.7
195.04552	0.8
205.03535	36.1
206.03996	0.9
208.01906	1.0
208.03740	10.6
223.02808	1.9
223.04500	32.2
223.06177	3.4
223.09531	1.3
223.13339	1.3
224.04843	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
56.71208	0.5
57.03455	19.0
58.99025	0.6
59.01388	12.0
60.19487	0.6
62.98496	0.6
67.01899	1.1
68.99828	1.8
71.01388	14.6
72.99323	5.9
73.02950	3.1
75.00881	6.8
83.01393	11.3
84.02183	3.1
84.31454	0.5
85.02959	100.0
86.03325	0.7
87.00891	4.5
88.01695	0.6
93.03458	2.3
95.01374	0.7
96.96011	2.1
99.00871	1.1
101.02447	12.0
103.00402	1.3
103.04029	2.2
107.01367	0.8
109.02958	0.9
111.00896	46.7
112.01232	1.0
121.02967	5.6
123.00902	0.8
125.02473	1.3
129.01959	28.6
133.05086	0.9
135.04526	2.1
135.08121	0.6
137.02426	1.0
140.06824	0.7
143.03445	1.5
147.03009	6.1
149.02457	12.6
151.00323	0.6
152.01079	1.5
159.02997	0.7
161.04515	2.5
161.85551	0.7
163.02155	2.3
163.04012	1.9
164.04797	6.7
165.01953	2.9
179.03349	1.2
179.07100	1.4
187.02448	2.6
192.99831	0.7
193.01443	9.8
205.03555	39.1
206.03889	1.2
208.03783	10.4
223.02853	1.7
223.04485	32.5
223.06190	4.4
223.13324	0.8
224.04863	0.7
238.46266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
57.03452	19.9
58.02977	0.9
59.01107	1.1
59.01384	14.4
59.27389	0.8
67.01888	1.7
68.99822	1.8
71.01391	18.1
71.55175	1.2
72.99315	10.8
73.01164	1.2
73.02963	5.5
74.99090	2.5
75.00880	7.5
75.81051	0.7
78.73245	0.8
80.96505	0.9
81.03458	3.2
83.01395	13.6
84.02161	2.7
85.02957	100.0
86.03281	1.7
87.00872	6.2
87.02750	0.8
88.01649	1.2
88.53218	0.7
91.02232	3.3
99.00892	4.9
101.02448	16.0
103.00381	2.2
103.03992	1.5
111.00893	43.3
112.98832	0.9
113.02450	2.8
117.03811	1.5
119.05026	1.6
120.05376	0.8
120.99626	2.2
121.02970	2.6
125.02448	10.3
129.01952	39.5
130.02275	0.8
131.03543	1.1
133.37611	0.7
135.01231	4.5
135.04651	3.5
136.99202	1.0
137.03522	1.7
143.03508	2.6
147.01959	1.3
147.03018	10.6
149.02451	1.6
151.03998	1.1
156.02492	0.7
161.02403	1.0
161.04596	3.9
163.03940	1.2
164.04698	1.1
165.01950	2.5
179.07091	1.0
181.06941	2.2
187.02467	3.4
191.02048	0.9
193.01494	4.7
205.03551	41.3
206.03923	1.1
208.03732	6.2
223.02806	2.5
223.04561	42.5
223.06102	2.2
224.04942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.8
55.79676	3.8
56.37316	3.9
57.03453	7.8
59.01376	13.5
70.70345	10.9
70.70696	4.6
70.88535	4.2
71.01386	16.9
72.99311	37.7
74.54601	4.1
75.00875	10.2
78.95919	15.1
81.03463	20.4
83.01389	12.1
83.12467	4.3
83.63129	3.9
85.02958	91.1
87.00877	17.6
91.02206	3.8
95.01390	4.8
95.27454	4.5
98.14201	4.6
99.00899	26.4
100.37670	4.4
101.02448	11.9
105.01968	10.6
109.28143	4.7
111.00880	30.5
113.02442	7.5
114.46156	4.1
117.01949	7.0
125.02460	63.8
129.01952	77.0
131.03519	4.4
136.94147	4.1
143.03461	5.5
144.95479	15.6
147.03018	31.3
161.04596	8.1
165.04076	35.5
174.96492	6.3
193.01590	4.7
196.98567	7.6
204.97485	5.3
205.03531	62.5
222.96509	10.8
223.02545	7.0
223.04610	100.0
223.06758	7.2
240.97540	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03469	1.9
59.01388	17.1
59.06457	0.8
61.98819	2.5
65.00358	1.0
66.42875	0.7
67.79179	0.8
69.03458	7.3
71.01387	3.4
71.05035	2.4
83.05016	1.7
85.02966	1.8
85.06580	1.0
93.03461	2.3
95.01392	1.9
95.05056	1.5
101.02454	2.5
107.05045	0.7
109.02945	1.0
109.06596	2.2
121.02967	3.3
122.06091	0.7
123.00882	1.1
123.04498	0.9
125.09753	1.1
135.00905	1.8
135.04588	1.2
135.11778	0.8
137.02432	1.6
141.01715	1.3
144.13524	0.7
144.81145	0.9
147.88245	0.7
149.02460	6.1
149.09750	1.5
151.00461	1.5
151.03990	2.8
152.01151	2.5
161.13344	1.7
163.03979	2.0
163.06111	0.9
164.04808	3.1
165.01982	5.8
166.06371	1.0
167.10789	10.4
169.05125	1.1
176.83659	1.0
176.98317	1.2
177.12852	1.8
178.99854	1.2
179.03517	1.1
179.07173	1.5
179.10823	5.3
179.14401	10.1
193.01462	15.8
194.01532	0.7
194.99355	0.9
195.13924	24.9
196.14198	1.3
205.12361	19.7
208.03786	18.9
222.98933	2.1
223.02696	4.1
223.06140	10.2
223.13412	100.0
224.13838	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	223.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79754	0.8
56.22252	0.7
57.03449	1.2
59.01379	5.6
66.48697	0.8
69.03169	0.8
69.03465	8.3
71.00909	2.0
71.05021	3.0
83.05044	1.0
85.06581	1.4
91.71101	0.7
93.03458	0.8
95.05006	0.9
108.05910	0.8
109.06618	1.8
111.08203	1.0
125.09736	0.8
149.09700	2.1
153.09250	1.3
161.13405	2.3
167.10788	8.9
177.12837	1.5
179.10817	4.2
179.14412	11.1
187.11282	0.9
193.01471	1.2
195.13914	29.2
205.12354	21.8
208.03764	1.7
223.13408	100.0
224.13643	5.1
229.19766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01389	7.4
61.98829	0.9
69.03467	8.2
69.86659	0.4
71.01381	1.5
71.05035	2.5
74.99053	1.1
77.50717	0.5
83.05038	1.6
85.06577	1.3
93.03467	0.8
95.01402	0.5
95.05041	1.7
97.06632	0.7
104.95734	0.5
108.05794	0.8
109.06606	1.8
121.02921	0.6
123.00884	0.8
124.62982	0.6
125.09705	1.1
135.11810	0.8
137.02466	0.9
141.09268	0.9
149.02371	0.7
149.09735	1.6
151.04027	0.9
151.11284	0.8
153.09265	1.2
161.13405	1.3
164.04817	0.9
165.01933	1.5
166.06352	2.9
167.10791	9.6
176.80597	0.5
176.83777	0.8
177.12904	1.6
179.10828	4.0
179.14444	11.6
187.11261	0.6
193.01451	4.9
195.13921	30.1
196.14250	1.0
205.12360	23.3
206.12659	0.8
208.03799	4.9
223.02869	3.6
223.06180	2.5
223.13414	100.0
224.13672	3.5
237.77695	0.5
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	Ficusol
Peak:m/z	Relative Intensity
57.03451	2.5
59.01385	13.0
61.47462	1.3
65.00333	1.8
65.03960	2.7
67.01887	4.8
68.99820	17.2
69.03456	2.7
69.40237	2.6
69.40647	8.0
71.01392	8.0
73.02943	1.9
73.59027	1.4
75.00888	2.3
79.01871	1.4
79.05547	4.7
80.02679	2.6
81.03462	5.7
83.05047	2.7
85.02987	2.1
91.05562	4.1
93.03467	19.9
93.07123	4.2
94.03797	2.5
95.01410	2.6
95.05026	10.9
96.59795	1.3
96.96001	2.9
97.02959	3.5
97.06622	4.8
99.00896	3.6
99.04553	4.3
103.05540	6.6
105.07115	25.6
105.07779	2.3
106.04247	9.7
107.05033	11.6
108.02177	11.2
109.02977	4.2
109.06598	18.8
110.03759	4.4
111.04548	2.6
111.08149	3.0
119.05027	10.6
120.05830	42.6
121.02978	17.0
121.06615	82.9
123.04512	3.5
123.08181	27.5
125.02462	2.8
131.05031	13.7
133.06618	7.9
134.03764	9.3
135.04559	8.1
135.08182	45.3
136.01614	1.5
136.05299	3.4
136.98853	2.0
137.02457	13.8
137.06113	13.9
137.09830	1.6
138.06897	2.5
139.07707	5.7
147.04553	5.9
148.05331	4.6
149.02448	2.3
149.06096	79.5
150.06544	1.5
151.04027	3.6
151.07677	11.5
152.04855	2.2
152.08405	1.8
153.05653	1.5
153.09225	4.8
163.07678	7.4
163.11276	11.4
164.04990	1.6
165.01933	8.0
165.05591	13.5
166.06367	52.8
167.07059	3.0
169.12186	1.6
173.04559	3.9
174.04860	2.0
175.03996	3.5
177.05643	1.8
179.07179	7.1
179.10773	2.4
180.04321	4.3
181.08723	90.6
181.12358	6.1
182.09097	2.5
187.07642	7.3
188.08011	10.4
189.09227	3.3
193.05084	13.8
195.03052	7.9
195.06680	6.1
197.12039	1.5
199.09917	2.5
201.05611	2.2
202.06142	3.6
203.06810	3.8
207.04945	8.1
207.06908	2.3
207.10289	25.8
210.05363	21.3
225.07744	100.0
225.11250	57.3
225.14998	2.8
226.08076	2.3
226.11661	2.1
231.10277	3.0
232.10654	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	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.82908	0.5
59.01387	100.0
72.75450	0.5
81.03490	0.8
85.46931	0.5
97.06599	2.9
98.20745	1.3
98.35011	0.6
109.01022	0.5
109.06662	0.9
130.14368	0.5
135.08163	1.3
147.08195	3.6
149.06131	0.7
158.58557	0.5
163.11359	0.6
165.09230	1.2
167.31619	0.6
181.12337	0.9
195.03030	0.6
195.06799	1.3
207.10350	0.9
210.05298	1.2
225.11345	33.5
226.11656	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01389	4.0
65.00331	2.8
69.03470	0.7
69.52794	1.2
69.53223	1.3
71.05048	0.6
81.03487	1.2
83.05054	1.4
93.03513	1.0
97.02960	9.9
97.06633	0.5
98.19944	0.8
99.00886	2.8
106.04296	0.4
109.02982	0.6
109.06608	7.4
110.03761	4.3
111.04542	0.9
121.06615	0.5
123.04565	1.1
123.08112	0.4
125.02454	0.5
125.09752	1.0
135.08188	2.1
136.05275	2.4
136.98822	4.4
142.02740	5.7
145.10217	0.6
146.34875	0.3
153.12926	0.6
161.09770	1.3
163.11305	14.2
164.11664	0.5
179.10817	1.3
180.04254	0.4
181.12354	27.8
182.12686	1.3
189.09218	0.9
195.03030	1.0
197.11919	1.6
207.10281	74.7
208.10657	2.3
210.05273	0.5
224.96916	0.5
225.11336	100.0
226.11694	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86271	1.0
55.01870	1.3
57.03438	1.1
57.43195	1.1
59.01109	1.4
59.01386	14.0
63.85009	1.0
65.00335	2.2
68.46413	1.0
69.03452	1.4
69.22832	3.8
69.23252	7.3
71.35566	0.9
73.02959	9.2
73.63446	1.1
80.02666	1.1
81.03459	4.1
83.05037	4.3
84.02173	3.7
84.45464	1.0
92.53096	1.0
93.03457	1.8
94.55938	1.1
97.02969	12.0
98.19840	2.1
98.88284	1.2
99.00899	2.2
109.03018	1.4
109.06606	42.8
110.03736	4.5
110.06971	1.9
121.06595	3.3
123.04520	1.3
125.09679	1.3
135.08182	4.8
136.05301	3.0
136.98834	2.6
137.02449	1.9
142.02734	4.8
161.09737	3.2
163.11308	28.1
163.12564	2.2
164.11581	1.4
165.01860	2.0
179.10841	1.5
180.04211	2.3
181.12367	57.9
182.12689	2.7
187.49898	1.1
189.09126	1.5
195.02983	2.5
197.12022	1.1
207.10280	94.0
208.10651	3.9
210.05348	3.6
225.11345	100.0
225.14915	3.3
226.03377	9.8
226.11710	5.7
234.73944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.98314	0.4
59.01379	5.6
65.00330	1.2
67.01908	0.6
69.03471	1.2
71.01399	2.8
71.01739	0.4
71.05013	0.7
71.23475	0.5
71.56387	0.7
73.02945	1.4
80.02682	1.0
81.03472	1.3
83.05055	2.9
84.02170	0.8
85.02945	0.9
93.03461	2.6
95.01389	1.8
95.05043	6.7
97.02969	5.3
97.06608	1.1
99.00890	0.7
99.04527	1.7
106.04240	2.1
107.05060	0.6
108.02177	0.9
108.30582	0.4
109.02946	1.5
109.06598	10.6
110.03756	6.0
111.04512	2.1
111.17124	0.5
119.08620	0.7
121.06604	1.4
123.04522	0.5
123.08163	0.7
125.02458	0.5
125.06091	0.6
125.09752	1.5
135.08150	2.2
136.98788	2.0
137.02443	0.7
138.02010	0.9
145.10205	1.3
149.09761	0.6
151.03984	0.6
151.11285	1.1
153.12874	1.7
161.09775	2.3
163.07603	0.9
163.11308	15.5
164.11649	0.7
165.01918	1.7
165.09203	0.9
167.03577	0.6
169.12325	2.0
179.10742	2.7
180.04379	0.6
181.06622	0.7
181.12369	6.1
189.09195	7.0
195.03023	2.0
195.06651	1.1
197.06200	0.5
197.11815	2.5
207.10275	40.6
208.10593	1.4
210.05389	2.4
214.50810	0.5
225.11334	100.0
226.11646	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
57.03450	0.5
59.01388	11.1
65.00333	6.9
69.03466	1.3
70.90589	0.8
71.01405	0.5
71.05033	0.4
73.02977	0.6
80.02703	1.2
81.03457	2.6
83.05036	2.9
84.02197	1.7
85.02980	0.5
85.06582	0.4
92.99831	0.8
93.03468	2.3
95.05045	1.2
97.02958	10.5
97.06615	0.4
99.00916	1.9
106.04285	0.6
107.05046	0.8
109.02986	1.4
109.06603	23.9
110.03751	3.6
110.06940	0.8
111.04549	0.6
121.06614	1.9
123.04560	1.3
125.02459	1.3
125.09740	0.8
133.06593	0.6
135.08191	3.5
136.05266	2.3
136.98822	9.1
137.02464	1.6
137.09729	0.8
142.02736	5.1
142.69162	0.4
143.03073	0.6
145.10205	0.7
151.07649	0.5
152.08379	0.4
153.12932	0.4
161.09744	1.5
163.11305	17.9
164.11685	0.5
165.01947	1.7
167.03505	0.5
174.52847	0.4
179.10770	1.3
180.04341	1.0
180.97809	0.9
181.05107	0.5
181.12354	16.1
182.12624	0.6
189.09180	0.9
195.03018	2.0
195.06625	1.1
197.11795	1.2
207.10277	76.9
208.10599	3.0
210.05328	1.6
224.90640	0.8
224.96806	1.0
225.11337	100.0
226.11691	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	225.1498
Annotation	Annuionone E
Peak:m/z	Relative Intensity
57.03445	0.6
59.01388	5.6
61.98813	0.9
65.00328	2.0
69.19006	1.7
69.19422	4.2
76.07853	0.5
78.18451	0.6
81.03458	0.7
83.05015	0.9
83.67126	0.5
93.03463	1.0
97.06598	0.6
103.80956	0.5
109.02959	0.8
109.06610	1.6
125.02434	0.5
136.98819	2.2
137.02412	1.8
154.67865	0.6
156.00385	0.6
163.11281	1.5
163.14917	1.7
165.01947	1.3
169.12312	0.9
180.04292	0.7
181.12337	2.5
181.16046	1.2
190.73245	0.6
195.03000	2.2
195.13911	9.3
197.15460	3.9
207.10323	5.6
207.13913	24.6
208.14206	0.9
210.05327	1.8
224.90535	0.6
225.07686	1.6
225.11688	9.6
225.14969	100.0
226.15327	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	227.0714
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
60.84032	0.9
66.88678	0.8
67.01891	2.3
68.53777	0.8
68.99810	0.9
69.76790	1.6
69.77195	4.1
74.52396	0.7
82.00613	8.2
83.01421	1.2
92.02686	8.9
93.03467	5.4
95.01401	29.4
99.21297	1.0
102.33046	1.0
108.02191	59.1
111.00861	1.9
121.02969	7.3
122.45306	0.8
123.00887	1.9
128.43159	0.9
136.01675	59.1
163.11317	1.0
165.12866	3.5
183.08109	5.0
183.13954	6.5
199.13423	1.0
209.11835	19.3
227.07166	100.0
227.12904	10.2
227.20168	3.0
228.07507	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	227.0928
Annotation	Loganetin
Peak:m/z	Relative Intensity
55.01883	2.0
57.03443	6.4
59.01382	2.0
67.01877	2.7
69.03426	1.2
69.57036	8.3
71.01402	3.7
71.05031	1.2
79.05540	4.1
83.01395	3.8
83.05051	1.9
83.09223	1.2
84.02190	3.5
85.02958	15.5
93.03490	1.6
95.01392	3.7
95.05039	7.6
97.06601	32.4
98.03760	6.5
105.07099	1.7
106.04269	1.2
106.07148	1.1
107.05059	6.0
108.02216	1.9
109.06615	1.4
111.00885	7.2
111.04559	1.3
111.08173	12.5
112.93745	1.4
113.03613	2.3
118.95107	1.1
121.06604	6.6
123.04541	19.7
123.08176	3.4
124.01604	1.3
124.05364	2.8
125.02369	1.3
125.06078	4.0
129.01952	22.4
134.03775	1.9
135.08171	3.2
137.02428	2.4
137.06059	3.1
139.00398	1.2
139.07668	94.4
140.07155	1.3
142.00258	1.1
149.02429	1.1
149.06100	29.7
150.06386	1.2
151.07727	2.2
153.09242	5.4
163.07672	2.5
164.01190	1.4
167.07156	100.0
168.07498	3.1
179.07112	2.6
181.08704	1.2
183.13919	3.6
191.07117	2.0
201.95630	1.2
209.08197	8.7
227.09238	19.2
227.12808	2.2
227.20102	6.2
235.48131	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45076	0.3
56.33223	0.3
69.22118	2.9
70.40458	0.4
71.05019	0.5
79.30979	0.3
80.02686	1.8
81.03458	1.5
83.05031	7.5
84.02174	2.6
95.05043	1.0
109.06615	0.4
122.54056	0.3
125.06073	0.9
125.09749	0.5
126.93214	0.4
135.08176	0.9
139.11218	0.4
153.12831	0.4
161.02376	0.5
163.11301	5.8
165.12843	4.5
181.12387	0.9
191.10823	1.4
199.13441	1.5
203.43323	0.4
209.11841	100.0
210.12183	4.3
227.03499	0.4
227.12877	4.3
233.07538	0.4
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	Cladospolide B
Peak:m/z	Relative Intensity
62.82145	0.4
67.68894	0.4
69.40173	3.2
71.05013	0.7
80.02669	2.3
81.03456	2.1
83.05028	6.3
84.02174	3.3
95.05045	1.2
97.06598	0.5
100.59074	0.4
108.98095	0.4
123.60897	0.4
125.06102	1.1
126.44908	0.5
127.11314	0.4
135.08179	1.1
163.11298	4.7
165.12885	4.4
166.25688	0.4
181.12393	0.7
191.10771	1.7
199.13385	1.5
209.11838	100.0
210.12173	3.4
227.12929	5.4
227.20332	0.4
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
69.27034	3.8
80.02691	1.9
81.03499	2.0
81.03880	0.4
83.05036	7.3
84.02171	3.8
87.18441	0.4
95.05025	1.2
100.15215	0.4
105.47710	0.4
107.96434	0.4
123.00984	0.5
125.06099	1.2
127.65549	0.5
135.08124	0.6
136.06589	0.4
147.11923	0.4
163.11316	5.4
165.12871	3.7
181.12398	1.0
183.00452	0.7
191.10818	1.6
209.11847	100.0
210.12131	3.8
227.03175	0.6
227.12971	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03439	0.3
65.81653	0.2
69.03463	0.4
69.32919	0.2
98.20772	0.4
111.08160	1.0
140.26625	0.2
165.12857	19.5
166.13199	0.7
183.13913	100.0
184.14265	3.9
191.10773	0.4
198.12645	0.3
209.11819	1.8
211.25372	0.2
227.12907	17.5
228.13295	0.8
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
65.47906	0.4
67.01902	0.6
69.21773	4.4
71.05030	0.4
80.02679	2.6
81.03461	1.6
83.01448	0.6
83.05035	7.2
84.02172	4.0
93.03473	0.6
94.27153	0.4
95.01395	0.4
95.05018	1.1
97.02914	0.5
97.06609	0.6
102.50385	0.5
109.06581	0.5
111.00893	1.0
125.06028	0.8
127.11298	0.4
129.68857	0.4
135.08167	0.9
139.00357	0.7
147.11810	0.5
153.09117	0.5
163.11295	5.7
165.09367	0.4
165.12839	3.7
176.99149	0.4
181.12372	1.3
183.10234	0.5
183.13885	1.1
190.14159	0.4
191.10760	1.4
209.11847	100.0
210.12149	3.8
227.03493	0.9
227.07127	1.2
227.12935	6.6
227.20183	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	227.2019
Annotation	Myristic acid
Peak:m/z	Relative Intensity
70.87103	1.1
95.01424	0.5
98.57992	0.5
103.49405	0.6
116.66466	0.4
128.99767	0.5
227.20189	100.0
228.20500	4.9
228.32545	0.5
246.10362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
59.01366	1.3
67.01893	1.4
70.67125	2.7
72.98896	1.3
72.99317	56.8
73.02956	65.6
74.34496	0.9
78.95901	2.5
85.02960	3.2
87.00889	54.7
99.00891	34.7
99.01539	2.0
101.02441	3.2
102.94404	5.6
111.00898	38.7
117.01958	100.0
118.02292	1.8
123.34263	1.0
126.82757	0.9
129.01988	1.3
130.95277	0.9
136.98557	4.1
138.98059	7.5
142.58221	0.9
142.97557	6.3
154.91579	1.9
154.97539	2.2
154.99753	4.0
156.38322	1.0
166.97528	33.3
167.97948	1.5
168.95522	2.3
170.96875	1.1
173.00922	3.6
210.96507	36.8
211.97038	1.2
228.97578	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03435	0.5
69.71797	2.1
87.28693	0.4
96.96104	0.4
98.19958	0.6
99.41969	0.4
129.05640	0.4
139.11290	0.8
145.17578	0.4
165.12856	1.1
167.14430	39.6
168.14771	1.6
185.15508	1.4
211.13420	52.8
212.13730	2.5
223.34778	0.4
229.14461	100.0
230.14799	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	229.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76006	0.4
57.03442	1.5
59.01366	0.7
69.29527	3.5
71.05018	0.8
83.05042	1.3
84.02140	0.5
85.02977	0.5
101.36445	0.3
101.77418	0.3
125.09743	2.4
127.11301	4.8
139.11333	0.7
155.10814	4.9
155.14442	1.5
159.45206	0.4
163.11279	0.6
165.12827	1.0
167.14442	1.0
171.10286	3.3
181.12326	3.1
183.10365	0.5
183.13907	1.6
185.06035	0.4
185.11853	0.9
193.12372	1.8
197.11928	0.6
199.13423	6.8
200.13895	0.4
201.11345	2.2
209.11874	2.8
210.58823	0.4
211.13420	14.3
212.13789	0.6
226.10670	0.4
229.14464	100.0
230.14763	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03453	1.1
62.36877	0.2
69.03464	0.4
71.05015	0.3
81.69092	0.2
83.05029	0.8
84.02200	0.3
85.02956	0.5
85.59291	0.2
88.52773	0.3
97.06661	0.2
104.07404	0.2
121.69834	0.2
125.09748	2.2
127.11295	2.8
136.80876	0.2
143.10786	0.2
150.53526	0.3
155.14430	1.2
163.11279	0.3
165.12866	1.0
167.14423	2.0
171.10298	3.6
183.13910	1.9
193.12393	0.9
209.11823	3.2
211.13419	10.3
212.13734	0.5
213.92566	0.2
223.06862	0.2
229.14453	100.0
230.14815	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	229.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97835	0.2
57.03455	1.5
59.01379	0.7
69.26425	0.7
69.26842	1.7
71.05034	0.8
71.53623	0.3
83.05048	0.4
84.02167	0.6
85.02952	0.7
88.69592	0.2
91.04281	0.3
97.06590	0.8
100.81976	0.2
117.03431	0.3
119.58899	0.3
125.09735	4.1
125.23549	0.3
127.11295	5.1
155.14459	2.2
165.12851	1.0
167.14432	1.9
171.10368	0.5
183.13899	1.0
185.15479	0.5
209.11845	2.3
211.13438	3.7
229.14459	100.0
230.14772	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03451	1.4
71.05033	0.5
71.57647	0.9
74.56335	0.6
85.02950	0.7
94.67274	0.5
97.06532	0.6
120.88535	0.5
125.09724	2.7
127.11286	4.0
145.71948	0.5
155.14444	2.0
165.12875	0.8
167.14409	1.2
171.10304	4.8
183.13951	1.3
185.11807	3.5
193.12358	0.8
209.11899	3.0
211.13441	14.4
215.11865	0.6
229.14461	100.0
230.14841	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
57.17044	0.8
66.03500	1.3
68.35617	0.8
69.31139	7.0
73.01167	6.9
80.05061	2.4
82.03002	5.1
96.04565	29.6
97.04881	1.4
98.19862	1.5
98.99126	4.1
108.04570	27.1
114.00206	89.6
115.00563	1.4
124.11428	0.8
130.08749	2.8
133.39214	0.8
142.03339	100.0
143.03650	2.4
143.11897	1.3
166.74146	0.8
186.02307	37.8
187.02658	0.9
187.10886	3.4
187.12405	0.9
194.00275	0.9
230.01295	75.6
231.01485	1.4
231.13571	1.1
232.52695	0.8
237.97783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.14
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
52.04918	0.6
63.48025	0.6
70.96503	1.3
71.05034	19.5
99.04511	1.2
101.06101	0.7
114.09267	3.9
116.07150	1.0
130.08760	33.3
184.17880	0.6
186.15002	15.3
194.11745	0.8
209.29619	0.7
211.21034	0.6
211.26489	0.7
221.09425	0.6
230.13994	100.0
231.14244	3.5
238.30217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05608	0.1
58.88528	0.2
59.01382	0.2
69.08810	0.2
71.02026	0.4
71.26021	0.2
93.03503	0.2
99.03242	0.2
122.03756	8.0
152.03554	100.0
153.03906	3.1
228.89482	0.2
231.15036	0.3
231.99232	6.6
233.07208	0.3
233.15533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1346
Annotation	Thalictroidine
Peak:m/z	Relative Intensity
58.24667	1.3
59.01113	1.8
59.01386	28.4
61.98833	1.2
69.56660	7.7
75.00871	2.9
77.28709	1.1
80.90791	1.3
89.00346	1.7
91.05537	4.5
93.03454	6.6
98.19843	1.3
100.07663	2.5
101.06071	2.0
103.60053	1.1
128.07188	80.6
129.07549	1.5
146.06139	1.5
147.06657	1.6
152.91830	2.0
160.98819	5.4
161.02501	1.4
164.86316	1.3
172.07608	1.5
172.88055	2.3
173.04578	5.6
188.98502	2.3
190.98714	2.0
204.13937	3.7
232.13432	100.0
232.97287	4.0
233.11671	2.4
233.15518	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.3
59.01384	100.0
64.15258	2.1
65.03967	2.3
67.01890	7.1
67.65573	2.4
68.99796	3.8
69.02563	2.6
69.66220	6.9
69.66619	9.3
71.01392	35.3
71.05051	3.0
72.99302	5.5
73.02961	6.5
75.00882	2.7
78.95907	7.4
80.96494	3.3
83.01390	10.6
85.02969	10.5
87.00890	6.7
93.03467	64.1
96.96020	19.0
96.96971	6.4
99.00901	7.0
99.04520	4.0
101.02434	7.0
101.04292	6.6
104.03572	3.2
109.02939	4.8
111.00897	13.6
111.04517	5.3
115.00346	4.0
128.03568	4.0
129.01959	21.1
130.04277	5.6
143.05045	10.7
145.00870	27.1
145.03192	4.2
145.06602	47.0
160.89246	16.5
161.00427	3.8
161.89453	3.2
173.04565	20.6
173.08153	3.0
188.96248	3.1
188.99841	14.4
189.05594	20.0
191.05640	3.4
232.98874	20.4
233.00897	2.9
233.04543	6.4
233.06493	18.9
233.10381	9.1
233.15485	98.2
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
59.01384	1.6
59.96737	0.6
60.97523	0.8
70.05313	1.3
74.99075	9.0
75.96247	0.4
84.66736	0.3
91.02231	1.0
93.00129	1.6
105.44871	0.3
118.63933	0.3
118.96233	1.7
134.99416	7.3
136.97346	2.2
141.07474	0.4
143.05325	1.4
149.00969	70.2
150.00894	2.3
150.98872	0.8
159.08479	2.4
161.06410	3.8
167.02000	0.3
171.52740	0.3
173.04590	0.4
199.47772	0.3
201.04137	0.5
215.05624	1.4
215.09210	0.4
216.05795	0.3
217.07219	100.0
218.07344	6.0
233.10349	99.5
234.10507	5.5
247.56393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1502
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01389	1.4
69.35900	2.6
71.01398	0.4
74.00385	0.3
81.29533	0.3
85.02946	0.3
91.01867	0.4
103.93486	0.3
109.63215	0.3
163.00429	0.4
179.07132	0.7
207.13893	0.5
218.11879	2.1
219.12564	0.5
234.15001	100.0
235.15195	4.4
235.17155	0.8
251.11609	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
59.63670	0.2
71.05057	0.3
71.08723	0.5
71.72238	0.2
80.85783	0.2
90.61983	0.2
95.96255	0.2
134.03764	0.6
135.04538	0.5
136.05309	0.8
140.67220	0.2
148.05324	9.5
149.05786	0.4
149.09747	1.7
162.06857	0.5
175.07664	0.5
176.08429	1.0
177.09236	45.7
178.09576	2.0
178.95071	0.3
190.10033	2.0
191.10773	0.8
192.11598	33.7
193.12024	1.7
201.09300	0.7
203.07195	0.9
209.15524	0.4
217.08705	3.2
218.09505	9.2
219.09799	0.4
236.10565	100.0
237.10941	5.3
237.14955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03456	2.1
59.01375	2.0
61.95336	0.4
71.01389	4.3
71.56305	0.5
72.99323	0.9
74.84270	0.4
75.00882	3.8
78.95916	4.7
83.32761	0.4
85.02974	1.4
85.97068	0.4
87.00885	100.0
88.01208	0.9
89.02473	0.5
101.02459	0.5
105.00175	0.5
115.00392	6.2
120.99669	8.0
129.01958	15.7
130.02283	0.6
136.94035	1.1
147.41963	0.4
192.97597	1.5
217.22160	0.5
226.81212	0.5
236.96506	1.3
237.00775	1.2
237.06143	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	237.0772
Annotation	Radicinol
Peak:m/z	Relative Intensity
57.03445	0.3
59.01379	1.7
59.95763	0.3
63.96260	0.4
65.00360	1.5
71.01418	1.1
73.02981	0.5
75.00910	0.6
78.95932	0.4
85.02998	0.8
86.94920	0.4
89.02510	0.4
91.01923	0.6
92.99870	0.4
93.03483	0.8
96.95983	0.3
101.02486	1.0
107.05019	0.5
108.02215	0.5
113.02491	0.3
119.01397	2.3
121.03008	1.6
133.02986	0.5
135.04599	0.7
147.00896	14.8
148.01566	0.6
149.02472	1.3
151.04045	3.1
161.04654	0.7
164.01163	1.6
165.01845	0.4
175.00414	0.8
179.03520	36.6
180.03917	1.0
193.01436	0.4
193.05029	0.9
202.17853	0.4
207.03008	100.0
208.03377	4.1
221.04541	1.3
222.05356	86.7
223.05714	3.9
237.07693	35.8
237.15065	1.1
238.08008	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	237.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	11.6
57.03440	6.7
58.00607	2.6
59.01387	76.3
61.98805	1.7
65.24608	1.9
66.91974	2.7
70.65495	1.6
71.01391	93.6
71.40952	2.0
71.53941	1.9
71.54276	2.4
72.99313	5.1
73.02557	2.3
73.02959	37.3
75.00871	4.5
78.95920	3.1
79.70443	1.9
83.01397	21.7
84.02221	2.1
85.02963	44.6
87.00877	9.6
87.38037	2.0
89.02444	11.6
93.46830	2.2
95.01410	6.2
95.50075	1.8
97.02956	3.3
99.00897	13.1
100.14378	2.2
101.02457	100.0
113.02459	39.1
115.00391	2.4
119.03489	3.5
120.99711	2.8
129.01958	2.9
143.03471	4.2
149.06444	2.1
159.02983	8.4
161.04593	36.3
211.00978	2.0
237.09883	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01392	6.2
70.86198	0.5
70.86525	1.0
71.01376	0.9
78.86504	0.4
79.01896	0.5
81.03492	0.5
81.88686	0.4
83.05043	0.7
85.02952	1.6
87.00863	0.9
95.01416	0.4
96.96016	0.9
97.06604	0.5
106.04290	0.5
107.01434	0.4
109.46043	0.4
118.03001	0.6
123.00932	0.6
123.04675	0.5
147.74910	0.4
161.04576	0.7
177.12888	2.9
179.05632	3.8
194.06035	1.0
195.13914	100.0
196.07712	6.5
196.14291	3.8
203.10681	0.8
221.11783	1.3
223.02855	1.0
223.23576	0.5
239.09331	0.6
239.12924	13.3
239.16626	1.4
240.06644	4.7
240.13219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01875	2.3
57.03456	13.7
59.01396	6.8
67.01890	3.4
69.03462	2.1
69.39002	2.1
69.39424	2.8
71.01386	1.7
71.05041	1.3
72.79968	0.8
80.02679	1.4
81.03467	5.4
83.01406	5.5
83.05036	22.5
84.02171	7.6
85.02962	100.0
86.03286	2.1
87.00886	1.6
97.02957	8.5
97.06583	1.1
100.35969	0.7
108.02197	1.0
109.02956	0.9
109.06578	3.1
110.03735	0.9
111.04559	1.2
123.00823	1.1
123.04512	1.0
123.08131	0.9
125.09743	0.9
136.05301	1.1
137.06107	1.1
142.02751	1.5
154.26355	0.7
155.10817	5.1
161.04558	0.9
163.11415	0.7
171.10272	8.4
175.11258	1.0
177.12866	5.7
179.05640	3.4
183.14063	0.8
193.12337	7.3
195.04480	1.3
195.10254	1.0
195.13914	5.3
203.10718	0.9
209.11882	1.0
211.13283	1.4
221.11838	41.5
222.12184	2.0
224.91087	0.9
227.63768	0.7
237.21335	0.9
239.03249	2.1
239.07603	3.7
239.12907	91.8
239.16714	2.4
240.13197	4.5
258.40424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01871	2.7
57.03458	12.3
59.01383	6.6
67.01888	2.0
69.03445	1.9
69.23649	8.0
71.01379	1.4
71.05024	1.6
71.70651	0.9
79.01882	1.1
80.02693	1.3
81.03448	4.2
81.70934	0.8
83.01387	4.2
83.05037	20.4
84.02191	5.6
85.02959	100.0
86.03304	1.2
95.05051	1.1
97.02942	7.0
97.06634	1.6
106.04257	1.2
108.02185	1.7
109.06597	3.5
110.03762	1.9
115.48248	0.8
123.04526	0.9
123.08210	1.1
125.08780	0.8
125.09711	1.5
127.40015	0.9
136.05321	1.2
142.02724	2.7
146.91212	0.9
149.09651	1.3
151.11192	0.9
155.10785	5.5
171.10265	6.2
177.12880	5.9
179.05603	3.8
189.44688	0.8
193.12346	6.2
195.13922	6.9
210.10779	0.9
211.13458	1.2
221.11845	46.6
222.12257	2.5
223.02849	1.3
239.12909	90.3
239.16663	3.1
240.13307	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	239.2019
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
50.08958	0.3
51.13153	0.3
52.22655	0.2
54.69142	0.2
57.86366	0.3
59.01386	4.6
59.19290	0.3
62.06308	0.2
69.52380	0.2
70.79633	0.5
71.01395	0.4
81.17020	0.2
93.59352	0.2
125.28822	0.3
125.39254	0.2
149.70334	0.3
187.33034	0.2
221.19139	1.1
239.20189	100.0
240.20552	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	239.2019
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
53.76855	0.7
59.01389	7.9
64.10388	0.8
65.00322	2.6
68.99783	1.0
69.98534	3.7
71.01400	0.8
79.01917	2.8
81.03462	1.4
87.00911	1.0
91.55479	0.7
93.55403	0.7
95.01406	4.2
98.20586	1.0
107.01402	3.4
111.00917	0.8
111.29052	0.9
123.00900	7.2
139.04021	1.0
148.98834	0.9
151.00365	3.7
154.06422	1.3
166.99867	2.6
167.14462	0.9
179.05626	3.7
194.99304	3.8
195.13985	4.2
207.04102	3.0
220.97264	1.7
223.02885	3.2
238.98378	2.5
239.06792	16.7
239.12553	2.3
239.20193	100.0
240.20554	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	240.0668
Annotation	N-Benzoylanthranilate
Peak:m/z	Relative Intensity
70.50805	0.3
70.51148	0.9
71.01384	0.4
92.05069	4.6
100.84490	0.3
115.02061	0.4
118.02201	0.5
118.03001	7.4
121.02962	1.4
123.81224	0.3
159.11182	0.4
166.06633	0.6
168.08177	2.3
185.56818	0.3
194.06116	11.9
195.06532	0.6
196.07686	100.0
197.08020	5.4
197.15642	0.3
219.47903	0.3
240.06677	54.2
241.07082	2.9
241.10735	0.4
241.14592	0.3
241.54930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0833
Annotation	Thymidine
Peak:m/z	Relative Intensity
55.23306	2.1
59.01389	5.7
69.89816	8.3
96.96043	3.2
125.03619	7.6
143.45514	2.0
148.90692	2.2
151.05162	19.3
153.01263	21.0
163.00456	5.9
165.05704	2.3
166.02840	2.1
178.02779	8.1
181.01512	2.6
181.05116	3.8
193.05132	5.9
211.06198	8.6
213.81921	1.9
226.04840	2.8
241.08388	100.0
241.21794	5.9
242.08733	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	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03468	1.0
59.01396	1.9
60.00485	0.5
61.46421	0.5
64.74484	0.4
68.75276	0.5
69.03468	2.0
71.05031	3.6
71.24664	0.9
76.09974	0.5
83.05046	0.9
83.84502	0.5
85.42764	0.5
87.00934	0.7
95.05039	0.6
123.08160	0.8
125.09738	2.2
153.12874	3.4
161.09714	0.7
169.12344	0.9
179.10800	5.3
181.01489	0.6
189.08183	0.5
197.11858	100.0
198.12186	3.8
219.32141	0.5
223.09831	5.0
241.10846	42.6
241.14597	1.5
241.21674	1.8
242.11261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03444	0.8
58.00593	0.6
58.01945	0.5
58.57327	0.5
59.01382	2.1
60.21288	0.5
61.79930	0.6
67.01816	0.4
71.01387	1.6
73.02943	2.4
75.05782	0.5
79.07240	0.5
83.05037	0.8
84.02195	0.6
85.02991	0.6
87.00900	1.9
96.96060	0.5
97.06614	0.6
98.20654	1.3
104.63975	0.5
125.09721	1.7
137.09734	0.7
149.09642	0.8
151.11279	1.6
152.00954	0.5
153.07401	0.5
153.09222	1.2
155.10776	1.5
158.46025	0.5
161.09702	0.8
165.09193	0.8
169.12360	100.0
170.12706	3.4
177.09158	0.7
179.10796	2.5
183.10246	0.8
186.62378	0.6
195.10457	0.7
195.14020	0.7
197.11841	18.5
198.12170	0.9
205.08846	0.6
213.05617	0.7
213.11436	0.7
213.14992	2.8
223.09830	3.7
223.13435	0.8
241.10849	39.2
241.14455	9.5
241.21707	2.4
242.11238	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	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01894	0.7
57.03451	1.0
58.41302	0.5
60.65942	0.5
67.01897	0.7
69.03470	2.9
69.84400	2.4
71.05037	4.5
80.44982	0.5
83.05005	0.7
83.88390	0.6
97.06613	0.9
111.00874	0.7
120.03469	0.6
123.08202	0.8
125.09725	2.1
137.37088	0.5
151.11327	1.4
153.12877	3.7
161.09741	1.2
179.10789	6.7
197.05984	2.9
197.11853	100.0
198.12206	4.9
223.09789	3.3
241.10844	74.8
242.11137	3.2
248.69072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2176
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
56.05684	0.5
69.53828	1.7
69.54256	2.0
74.06131	0.5
84.60496	0.6
107.53822	0.6
213.35475	0.5
213.60847	0.6
241.21745	100.0
242.22086	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	242.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11828	0.6
59.01394	1.2
61.98801	0.5
66.03490	0.6
67.01907	0.5
69.28371	0.5
69.55192	3.4
71.60130	0.6
73.03065	0.6
78.57005	0.5
82.06631	2.2
82.65945	0.6
85.06577	0.6
97.06575	0.5
98.19961	1.1
100.07702	1.2
101.06091	0.7
110.02516	0.7
111.00932	0.8
114.94971	0.5
125.09745	1.4
125.83292	0.5
160.84280	0.6
164.10628	0.5
170.15517	13.3
181.15942	1.5
198.15007	100.0
199.15329	3.9
201.11481	0.9
225.11404	0.8
225.15053	1.0
226.02690	2.0
242.13918	3.3
242.17522	2.6
243.08202	0.6
243.12440	1.2
243.15935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0625
Annotation	Spongouridine
Peak:m/z	Relative Intensity
59.01370	5.2
66.03490	16.4
68.01405	2.9
69.03458	2.2
71.01382	4.5
71.54066	1.6
72.99298	4.2
76.63145	1.4
78.38897	1.2
78.95901	2.2
81.03463	1.5
82.02557	1.4
82.02988	32.7
83.01416	2.9
83.05028	2.5
84.04538	2.1
85.02963	1.7
87.00883	12.8
88.04055	9.3
93.03466	5.7
94.02968	3.7
95.05047	1.5
96.00880	2.5
96.04575	1.7
96.96003	1.7
98.02482	3.4
108.04575	2.8
109.06560	2.0
110.02490	100.0
111.00861	2.0
111.02055	9.1
111.02740	2.7
111.04579	1.7
112.98792	2.7
113.03583	1.8
113.06091	1.7
115.08758	3.4
117.01958	2.8
121.02921	3.2
122.02465	7.8
124.04059	5.0
128.03566	1.8
129.01945	2.5
131.98048	1.6
135.04572	1.9
137.02428	3.6
140.03558	9.8
142.99850	1.8
152.03551	16.9
153.01988	1.7
153.03078	19.4
159.07765	2.1
163.04018	1.9
165.01952	1.5
173.00879	2.5
195.06456	2.1
197.06512	1.6
199.06053	1.6
200.05661	37.0
205.09433	1.4
226.07013	1.9
229.70534	1.4
243.02895	1.4
243.06519	32.0
243.09424	5.2
244.06244	2.7
244.13060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0625
Annotation	Uridine
Peak:m/z	Relative Intensity
51.88108	0.7
54.83661	0.7
59.01386	1.6
59.09234	0.6
66.03498	13.6
68.01421	2.7
70.88840	1.6
70.89164	1.0
71.01385	2.3
71.28030	0.7
74.38512	0.7
76.51955	0.8
82.02998	31.9
83.01421	1.7
84.04569	1.0
85.52928	0.7
92.03104	0.8
94.02998	2.2
96.04546	2.2
98.06090	0.7
107.30797	0.8
108.04576	2.9
110.02496	100.0
111.02026	6.4
111.02850	2.6
117.01964	1.4
122.02478	6.7
124.04064	3.3
124.06989	0.8
128.67226	0.7
136.59966	0.8
140.03572	9.5
152.03549	16.6
153.03061	8.3
162.47151	0.8
200.05672	36.6
243.03714	1.2
243.06241	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	243.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49718	0.4
67.01888	0.5
67.74992	0.4
68.99809	0.5
69.03463	30.9
69.66704	2.1
79.01900	18.0
79.02378	0.6
80.02229	0.4
81.03450	1.0
85.02953	1.3
95.01402	6.3
96.01733	0.4
97.02959	16.9
98.03372	0.4
107.01401	25.0
108.02186	63.7
109.02341	0.6
109.02956	2.3
111.00893	1.2
113.02364	0.4
121.02976	1.8
123.00906	6.4
123.02319	0.4
125.02456	19.7
126.02699	0.4
135.00897	67.5
136.01236	1.6
137.02455	4.4
139.29033	0.3
151.00388	2.3
152.01163	100.0
153.01500	2.4
154.99915	0.6
185.01027	0.4
190.38716	0.4
197.06099	3.8
211.13376	1.0
213.05525	0.6
215.07121	1.1
243.06635	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01849	0.7
57.03447	1.1
59.01381	1.6
59.94939	0.6
67.01899	1.2
68.45283	0.6
69.24944	6.4
71.01371	0.8
71.05030	3.9
71.63262	0.5
75.24408	0.6
83.05029	1.8
85.92450	0.6
97.02966	5.8
97.06613	2.2
98.20667	1.3
99.00889	24.9
109.06602	2.1
110.02518	0.7
110.03748	2.4
111.00880	4.1
123.08134	1.1
125.09715	6.7
127.11266	1.0
135.08162	1.7
136.05299	1.2
140.28546	0.6
142.02722	2.5
142.28090	0.6
145.10284	0.8
153.12878	1.2
154.99899	1.6
155.14369	2.0
161.09802	0.7
163.11299	12.1
171.10281	1.3
179.10724	1.0
181.12363	30.4
182.12637	1.3
197.11824	1.9
199.13405	20.3
200.16791	0.6
201.11609	0.7
207.10278	50.1
208.10612	2.2
225.11337	100.0
226.11673	4.7
243.02960	1.4
243.12384	90.2
244.12700	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	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.81211	0.8
57.03429	1.2
59.01382	20.0
69.39809	4.9
69.40221	1.9
69.51563	0.9
71.01402	1.4
71.05023	2.5
72.71680	0.9
76.61055	0.8
83.05039	1.5
97.02953	1.5
99.00894	9.2
109.06583	1.5
111.00878	1.3
125.09731	4.6
127.11320	2.3
136.99030	0.8
137.64908	0.8
139.11296	11.2
140.04306	0.8
153.12904	1.0
163.11292	5.2
181.12352	19.1
183.10272	15.0
197.11931	1.8
199.13412	38.0
200.13815	2.0
201.11308	1.4
207.10289	27.0
225.11331	60.1
226.11641	3.3
243.12378	100.0
244.12585	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03451	0.8
59.01383	0.9
59.86081	0.5
61.73428	0.4
67.01886	1.1
68.31891	0.6
69.39201	3.8
71.05030	2.7
76.97964	0.4
83.05017	0.6
97.02958	3.7
97.06592	1.5
99.00890	16.0
109.06604	1.2
110.03709	1.7
111.00902	2.7
123.08202	0.7
125.09724	5.8
127.11307	0.5
128.42178	0.5
136.05302	0.7
142.02716	0.8
153.12865	1.0
154.99826	0.7
155.14413	1.4
161.09741	0.6
163.11311	6.5
169.12328	0.6
171.10265	1.5
181.12363	17.4
182.12700	1.0
193.22684	0.5
197.11871	1.2
199.13417	18.2
207.10274	35.4
208.10657	1.9
215.12877	0.6
225.11336	65.4
226.11687	2.9
243.12381	100.0
244.12726	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	243.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78842	1.1
59.01377	3.0
67.01897	2.3
69.03454	1.4
70.32413	3.6
71.01367	1.3
72.86777	1.1
72.98580	1.1
73.85439	1.0
83.01369	1.3
83.05023	1.4
85.84749	1.0
96.96078	1.0
101.00625	1.1
110.02498	2.4
111.00881	9.7
125.09712	4.6
142.65523	1.0
145.16006	1.1
152.01172	2.3
154.99869	2.8
166.55070	1.1
167.14398	1.8
183.13940	7.5
193.12328	1.9
201.11287	2.4
207.10208	2.2
211.13416	100.0
212.13809	3.9
225.11336	2.4
243.02768	2.8
243.06630	4.2
243.10300	1.4
243.12437	3.3
243.15858	2.1
244.02702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
53.40541	0.7
58.02708	1.5
58.02984	23.3
66.05923	0.8
66.80757	0.7
69.40760	6.1
70.02991	16.4
72.00931	4.9
72.04553	3.6
73.24609	0.8
74.02485	100.0
75.02789	1.0
81.08935	0.7
81.67539	1.0
82.49411	0.8
98.02488	23.0
105.48428	0.8
106.04596	0.8
116.03563	24.9
116.05077	34.6
117.05473	1.4
130.06650	4.9
138.97440	0.8
142.06654	6.5
159.09312	7.1
160.02519	0.9
183.09294	2.2
186.05721	1.3
193.08392	0.7
201.10310	7.3
203.08287	88.6
204.08600	3.4
245.09341	71.8
246.09663	3.3
264.47406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99995	1.2
57.03453	2.6
58.00610	6.6
58.14875	1.1
59.01387	21.4
67.01868	1.2
69.58035	1.4
69.62017	4.7
71.01389	12.1
72.02175	2.0
72.99310	2.3
73.02952	2.4
74.02492	4.9
78.95889	1.3
81.07104	1.4
83.01385	2.3
84.02150	1.9
85.02983	2.8
87.00890	15.9
89.02455	9.2
93.03458	1.2
95.01443	1.6
95.05032	3.4
96.96964	2.2
97.06606	16.3
99.00897	1.2
99.04532	1.3
99.08170	9.2
99.18848	1.3
101.02486	2.8
105.01909	2.9
107.05091	1.6
108.02187	4.8
109.06622	5.2
110.21169	1.1
111.00898	1.8
112.01738	1.6
113.06097	1.4
125.06096	3.4
127.07670	100.0
128.07996	3.5
129.01945	4.1
129.09225	7.0
129.10350	7.2
130.08752	8.0
135.08128	1.4
137.06108	8.1
139.07672	8.7
140.07120	1.8
141.09378	1.4
141.10349	5.7
144.00624	2.9
147.02995	3.4
155.07169	40.3
157.08723	2.9
167.07141	3.0
183.11426	2.5
185.08202	4.8
186.15680	1.4
215.10379	7.2
227.10498	2.4
245.00948	2.3
245.10037	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	40.4
67.28535	0.3
69.45020	2.6
79.95748	1.2
98.19892	0.7
127.11315	4.7
139.11285	1.3
150.03307	0.4
155.10774	2.1
157.12361	21.5
158.12709	0.7
163.03966	0.5
165.05573	2.4
185.11852	16.8
186.12256	0.7
187.27432	0.3
201.11340	0.7
203.12910	100.0
204.13251	3.7
245.00980	1.2
245.13969	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	246.0081
Annotation	2-hydroxyacetaminophen sulfate
Peak:m/z	Relative Intensity
55.01200	0.2
68.38799	0.2
73.07879	0.2
98.20677	0.3
117.23226	0.2
117.24250	0.2
121.02970	1.6
136.05324	3.5
151.02765	5.5
152.87723	0.2
166.05112	100.0
167.05452	3.1
183.01747	1.6
186.95612	0.2
202.99908	0.2
240.50514	0.2
241.71474	0.2
246.00790	8.2
247.01003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
56.94265	0.8
57.03447	1.4
59.01378	2.5
65.12879	0.8
67.01888	0.9
69.61067	5.6
71.01376	2.3
82.48360	0.8
83.05042	1.7
91.01916	1.1
100.68066	0.8
107.05020	3.3
109.06617	0.8
119.01377	0.9
121.06571	1.3
123.08176	51.1
124.08482	1.9
126.04049	0.9
132.98209	1.0
135.08183	8.0
137.09724	2.4
149.09840	0.9
161.02429	1.0
161.09769	4.3
165.03506	0.7
167.74652	0.8
174.99265	1.4
175.03998	0.9
175.07597	1.1
186.95676	4.3
187.11240	1.3
189.02002	0.9
191.03496	0.9
197.11865	1.5
201.12788	1.0
202.99911	2.0
203.03540	1.3
203.10669	1.2
203.14438	36.7
204.14790	1.8
217.01442	1.0
229.12251	0.8
246.98871	3.5
247.02412	3.1
247.09547	2.9
247.13412	100.0
248.13681	5.2
250.04788	0.9
269.98929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1342
Annotation	Lyratol D
Peak:m/z	Relative Intensity
57.03448	1.3
59.01369	3.9
71.01397	0.9
71.55989	1.3
79.05542	1.3
81.03477	3.1
82.29862	0.8
89.02467	0.9
90.97110	1.4
91.41705	0.9
94.94022	0.8
95.05000	1.1
95.08694	0.9
97.06580	3.5
111.88927	0.9
119.08649	2.9
121.02982	1.0
121.06602	13.2
121.10229	2.8
132.98238	2.1
137.09740	91.5
138.10074	3.3
147.00819	2.0
147.08177	39.6
148.08496	1.4
159.04549	1.0
165.01956	1.0
171.08151	2.0
174.99271	2.7
175.03903	1.0
186.95647	7.4
187.11304	11.7
202.99950	2.5
203.14429	62.6
204.14813	2.4
217.01349	1.2
232.03891	1.3
246.98920	4.9
247.02519	5.1
247.06224	3.8
247.13416	100.0
248.13741	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	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.51336	0.2
57.20387	0.1
73.34702	0.2
77.60365	0.1
80.27789	0.1
91.01881	0.2
104.18625	0.2
108.79303	0.2
115.19235	0.1
117.38919	0.2
119.01406	0.2
127.11066	0.2
136.18951	0.2
147.00972	0.3
174.57114	0.2
175.00444	0.3
175.04063	0.2
184.00183	0.6
186.95628	0.5
202.99823	0.6
205.16081	0.3
220.17047	0.9
231.13901	0.6
246.98837	0.9
247.02582	1.2
247.17038	100.0
248.08028	0.5
248.17369	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	249.0552
Annotation	gamma-L-Glutamyl-L-cysteine
Peak:m/z	Relative Intensity
51.03235	0.5
51.54013	0.5
52.02351	0.5
58.02987	1.1
59.01383	1.4
67.38850	0.5
69.27184	4.9
69.30004	0.4
71.01383	2.5
72.00900	0.8
74.02501	3.3
74.22663	0.5
79.95753	0.5
82.02972	2.8
84.04560	3.4
85.02968	1.4
86.02483	12.7
87.00925	0.7
88.04049	6.7
91.05540	1.7
93.03473	0.8
95.01381	0.7
96.04547	1.2
96.96036	1.4
98.20592	1.0
102.98626	1.7
109.02939	0.7
109.07731	0.8
113.02425	0.7
114.01999	0.6
115.00388	0.9
119.05042	2.2
120.01268	11.1
127.05135	3.1
127.08789	14.3
128.03554	100.0
129.03889	1.6
132.03044	6.3
135.04532	1.7
136.01720	0.6
143.27721	0.5
145.03006	0.7
147.04536	6.3
149.02419	0.6
153.06715	6.0
161.02437	1.1
161.06078	0.9
162.03239	0.7
163.04016	1.8
169.03404	0.9
171.07770	46.6
172.08102	1.3
174.03169	1.0
175.04034	5.5
177.01976	1.9
177.05615	0.9
179.04634	1.1
185.11877	0.5
189.03920	0.6
189.05522	0.8
190.05070	1.3
191.03522	1.4
196.29082	0.4
197.05809	0.8
204.04263	3.7
205.05069	1.9
205.08755	1.1
205.15987	0.7
213.03349	1.2
215.06676	1.3
219.03017	23.2
219.06348	3.1
220.03419	1.0
231.04515	2.3
234.05322	19.0
235.05786	0.9
249.05588	5.0
249.07796	8.8
249.14963	1.5
250.07375	1.6
250.14545	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	249.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03454	3.8
58.00343	0.3
58.00598	1.6
59.01384	29.6
60.01727	0.3
65.03969	0.2
65.55202	0.2
67.01904	3.4
68.99825	10.1
69.03461	7.3
70.02953	0.2
70.06884	0.3
71.01389	44.9
71.12701	0.6
72.01722	0.5
72.99315	8.7
73.02951	6.5
75.00880	27.8
79.95723	0.4
81.03461	2.0
83.01391	3.2
83.05024	1.2
84.02191	0.4
85.02959	24.2
86.00095	0.4
87.00883	9.4
89.02456	8.4
91.04010	2.6
93.03467	2.6
95.01398	8.2
95.02358	0.4
95.05029	0.4
96.96007	0.9
97.02953	2.1
99.00890	14.6
99.04498	0.4
101.02473	0.7
103.00381	2.6
103.04005	0.8
108.02168	0.4
109.02964	1.5
111.00886	2.6
111.04530	1.3
112.01664	0.9
113.02461	28.3
114.02808	0.4
115.00395	2.7
115.04024	1.1
117.01962	4.8
119.04986	0.3
121.02966	0.5
125.02451	0.3
127.04052	0.4
128.03561	0.3
129.01956	2.8
130.99858	1.0
133.05086	0.7
139.00336	0.5
143.03500	0.5
143.05096	0.3
147.04538	0.6
148.98779	0.3
157.01424	1.4
159.92033	0.3
161.02467	0.3
161.06096	0.9
169.05025	0.6
175.02464	2.1
175.03914	0.4
177.01921	0.3
177.05573	0.3
179.71785	0.3
189.04086	2.2
204.04283	1.7
205.04971	1.1
219.02982	2.0
219.06488	1.3
231.05087	5.7
234.05377	1.7
249.06149	100.0
250.06424	3.2
250.14529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65437	1.6
54.33305	2.0
57.03446	2.0
59.01376	4.0
68.99559	2.6
71.01373	3.1
71.03344	1.9
71.55740	2.1
83.05002	2.3
93.03487	2.4
101.02451	1.7
112.98556	4.5
122.03668	2.3
127.07651	8.5
128.03531	2.1
154.97383	3.5
160.98801	2.5
161.13373	2.9
177.01982	2.3
181.12363	22.7
182.12840	2.1
197.11844	2.1
199.07581	2.5
201.08888	2.4
203.10522	11.2
204.04309	5.6
205.05003	2.7
205.08626	3.9
205.12303	8.0
205.16014	3.0
217.08496	3.4
219.03174	3.4
219.06645	5.9
219.10011	6.5
221.11668	3.6
223.13177	63.5
224.13428	2.0
233.07903	11.4
234.05371	3.9
234.99387	2.3
235.09499	20.9
237.11107	37.7
248.97328	7.3
249.03932	3.6
249.08171	3.4
249.11107	100.0
249.14925	25.2
250.11484	5.3
250.14523	21.8
265.10629	7.9
267.12161	86.9
268.12411	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	249.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	13.0
57.03460	9.7
58.00593	4.6
59.01386	70.1
60.99260	1.1
67.09629	1.0
69.03472	1.6
70.06039	2.0
70.06408	4.6
71.01389	89.3
72.99312	5.6
73.02955	40.5
75.00879	2.8
81.97173	1.0
83.01399	21.3
85.02962	48.6
85.06601	2.7
86.00091	1.9
87.00886	4.5
87.08149	2.1
89.02439	5.3
93.03427	1.6
95.01393	6.8
96.96024	4.5
97.02988	2.1
98.20580	1.3
99.00885	14.0
101.02454	100.0
110.84653	1.1
111.00870	2.8
111.54326	1.2
113.02462	37.4
125.02473	2.4
128.03552	3.9
129.01880	2.2
133.02982	2.6
134.03770	2.2
135.04565	2.8
143.03487	2.3
147.04546	1.4
149.06107	1.6
155.03593	1.4
157.08656	1.5
159.03032	6.4
161.04552	20.5
171.07706	1.1
173.04573	1.6
175.04071	1.7
176.04715	1.3
177.01930	3.8
191.03621	1.3
194.57317	1.4
204.04245	2.5
205.08743	2.1
219.03024	3.0
227.25710	1.3
234.05461	1.2
248.96988	1.1
249.08000	16.4
249.13348	22.4
250.14534	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
53.33196	0.7
56.33914	0.8
57.03428	1.4
59.01383	5.4
63.60201	0.9
69.03464	18.4
71.01389	5.0
71.05045	1.1
73.02942	1.0
83.05032	2.8
89.00340	1.2
95.05066	1.5
96.95989	1.1
97.06579	1.7
99.73038	0.7
101.02419	0.9
108.76240	0.7
109.06664	0.7
118.69041	0.8
121.06639	0.8
121.24049	0.7
133.10239	1.0
134.07423	1.4
135.08185	7.0
149.13362	1.7
152.94722	0.7
159.11716	0.8
163.11305	1.1
167.10806	2.0
175.03984	1.3
175.11371	0.8
177.12852	15.5
178.13240	0.9
179.10779	1.3
187.14963	2.6
193.12350	3.7
203.14368	1.1
204.04279	2.6
205.12383	5.0
205.13980	0.8
205.14349	1.0
205.15999	9.7
219.02937	0.9
219.06592	1.0
221.15472	10.0
231.13901	17.4
234.05316	1.6
249.14973	100.0
250.14645	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	249.1862
Annotation	roughanic acid
Peak:m/z	Relative Intensity
54.93349	0.7
59.01381	5.9
60.88797	0.6
65.00339	3.6
67.24473	0.6
69.74802	2.7
71.01387	1.1
73.02947	1.0
77.00317	0.8
89.00333	1.6
90.97758	0.7
92.99825	1.0
95.01381	2.4
101.02434	0.9
159.97131	0.6
160.98860	1.9
176.98343	1.0
177.01900	0.9
204.04295	1.5
204.97807	2.1
205.15996	17.6
205.19688	1.7
219.06599	0.7
231.17499	1.4
248.96910	3.9
249.00383	1.1
249.14961	27.9
249.18585	100.0
250.14511	24.5
250.18700	5.4
253.80475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
59.40942	0.9
69.03467	1.2
71.01373	1.1
71.54564	1.3
74.99103	12.8
77.56549	0.9
85.02963	21.2
89.02388	0.9
93.03471	8.9
96.29249	0.8
99.00887	7.4
101.02435	1.8
101.04307	1.6
113.02471	1.8
119.05083	2.0
120.99664	11.9
121.02158	1.6
121.02972	19.0
129.01970	17.1
130.04233	2.5
135.04530	1.5
136.99167	8.1
143.05022	6.2
145.06612	100.0
146.06914	4.0
156.21924	0.9
157.00096	0.8
157.01425	3.7
159.04482	1.1
163.04329	12.0
189.05594	66.3
190.05847	1.4
198.19075	1.1
233.04539	2.4
251.05804	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	251.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16551	0.9
55.01873	1.0
59.01382	4.1
59.04789	0.8
69.03452	2.4
71.01398	3.6
71.56023	1.0
73.04076	29.4
74.99095	1.7
83.01424	1.1
84.76240	0.8
85.02964	15.5
87.00885	3.2
89.02486	0.9
90.98601	1.0
93.03461	7.8
96.96035	2.1
99.00895	3.7
101.02479	2.6
101.04316	1.5
103.05174	1.2
109.02967	1.1
113.02432	2.2
115.44463	0.9
119.05042	3.1
120.99668	12.7
121.02963	16.5
127.00378	1.5
129.01945	10.4
129.05598	2.4
130.04247	3.6
133.06699	1.7
135.04556	1.9
136.99142	1.0
143.05048	4.6
145.06612	100.0
146.06950	3.8
147.04556	5.6
157.01434	3.4
163.00533	1.4
163.04352	21.9
164.07159	9.6
170.22278	0.9
177.05620	1.8
186.59845	0.9
189.05591	64.3
190.05931	3.6
191.03439	1.0
203.03568	1.4
204.28346	0.9
207.06682	1.3
221.09354	13.2
233.04582	2.4
236.06924	1.5
238.69049	0.9
251.05869	21.0
251.10323	12.5
251.14778	2.3
253.96220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2019
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01394	2.1
65.00329	0.5
68.99811	0.5
70.12340	1.6
71.01405	1.9
73.02940	0.5
79.01912	0.6
82.22153	0.4
85.02975	0.6
91.01908	3.3
92.41621	0.4
95.79430	0.4
101.02446	1.1
113.02481	0.4
113.13890	0.4
119.01447	1.0
125.02464	0.4
128.02158	0.4
131.07472	0.4
134.60864	0.4
135.00914	4.0
163.00385	3.2
178.99886	1.2
206.99406	1.5
233.19160	1.0
250.98360	1.7
251.00912	0.4
251.14856	2.6
251.20186	100.0
252.20531	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	253.2176
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
65.00314	46.3
71.20092	22.7
73.58611	10.2
90.48952	12.2
124.73169	11.5
136.98822	79.0
180.97803	22.4
253.21718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2176
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
54.21545	0.4
54.82166	0.4
59.01377	1.2
64.99881	0.3
65.00320	1.4
65.09194	0.4
65.13338	0.3
66.62772	0.4
67.08841	0.3
70.71333	0.5
70.71697	0.9
72.91627	0.4
75.86418	0.4
81.59890	0.4
82.98959	0.4
113.44211	0.4
115.66973	0.4
117.90660	0.4
136.98796	1.9
253.21753	100.0
254.22079	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	254.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
71.02856	0.9
79.95743	12.0
80.96527	4.7
88.04046	0.6
99.34976	0.4
106.98105	9.0
119.28912	0.4
122.21317	0.4
124.00753	61.1
125.01078	0.4
152.00243	14.0
152.01466	0.7
179.99734	1.5
236.06033	0.6
254.07050	100.0
255.00006	0.6
255.07294	3.0
255.23318	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	255.2332
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
59.10185	0.4
64.90598	0.5
70.87007	1.5
70.87406	0.5
84.38367	0.5
106.98595	0.5
138.09251	0.5
145.72490	0.5
148.03432	0.5
208.06471	0.5
226.57265	0.5
254.79192	0.5
255.23308	100.0
256.23645	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	256.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46640	1.1
55.01882	1.5
57.03446	1.5
59.01358	1.0
60.95006	1.0
63.64606	1.1
63.90002	0.9
69.03460	1.8
71.05023	3.7
71.54546	1.3
72.04559	6.4
72.99313	1.4
80.05064	1.1
82.02995	35.0
83.01392	2.6
83.05039	2.5
84.00922	3.2
84.04553	3.4
93.03472	8.5
94.03021	1.4
95.79526	0.9
96.04601	1.5
98.02487	28.3
98.06133	11.4
100.04058	21.4
110.02494	4.3
110.06121	3.5
111.04528	3.0
112.04059	2.5
122.06121	1.1
124.04047	1.8
126.00272	1.1
126.05615	9.3
128.03549	3.2
128.07201	19.3
135.04552	1.4
135.84126	1.0
140.10854	5.4
148.07710	11.8
150.09258	34.3
154.05103	3.1
156.06628	1.3
166.08736	3.8
168.10320	3.5
169.08763	1.2
179.03491	1.1
184.09785	5.8
194.08197	3.6
194.09804	1.0
196.03375	1.5
210.07751	28.0
211.08118	1.6
212.09305	28.0
213.09471	1.1
228.08827	8.7
236.19574	1.0
255.23341	26.3
256.08295	100.0
256.23651	59.2
257.08517	3.1
257.11435	2.1
257.23743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.082
Annotation	Dehydrooxoperezinone
Peak:m/z	Relative Intensity
51.02407	0.6
57.03466	0.5
67.01904	2.7
68.99832	1.2
69.03461	10.5
69.03799	0.7
69.51287	3.0
79.01894	7.6
79.88239	0.5
81.03465	19.3
93.03490	2.0
95.01398	5.4
97.02947	4.7
107.01398	47.3
108.02203	10.6
116.74811	0.5
121.03001	1.1
123.00908	11.0
123.01758	1.0
124.01674	4.4
125.02460	3.8
136.01682	4.7
149.02533	0.6
151.00381	33.4
152.00771	0.7
166.02710	0.8
173.94325	0.4
177.94391	0.5
221.11853	0.7
225.11397	0.6
239.12950	0.6
242.05862	100.0
243.06207	6.0
256.23758	0.9
257.08209	41.2
257.13824	1.3
257.17480	0.9
257.23947	0.8
258.08447	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	257.176
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03442	0.8
57.05829	0.8
68.82330	0.8
71.55967	0.9
83.05056	1.1
85.10690	0.8
96.96009	1.1
98.19925	0.9
100.16932	0.8
104.47070	0.8
194.39365	0.8
195.17564	47.5
196.17851	3.2
196.92403	0.8
197.90172	1.3
213.18651	2.0
219.84521	3.3
220.84576	1.2
221.84349	7.7
238.34865	0.8
239.16551	50.5
239.73914	0.9
240.16833	2.0
257.17609	100.0
257.93961	1.2
258.17917	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	257.2126
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
59.01388	1.8
71.01369	0.9
71.57639	0.9
78.63680	0.7
78.64323	0.7
83.05054	1.4
96.96012	1.0
100.06754	0.7
113.02484	0.9
123.00906	0.8
127.11341	1.1
149.50751	0.9
181.99481	0.8
185.54860	0.8
196.92538	1.0
197.19113	2.2
197.90305	1.0
211.20757	0.9
219.84593	3.4
220.84605	1.5
221.84248	8.0
239.20308	0.9
257.21265	100.0
257.23767	5.5
257.94046	1.1
258.21567	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	258.0986
Annotation	Proacacipetalin
Peak:m/z	Relative Intensity
57.03458	1.2
59.01376	1.2
69.03463	6.0
71.01368	1.2
71.56827	0.9
72.00898	1.4
72.04565	1.9
72.99313	1.9
78.95920	1.8
80.05043	2.3
80.96535	1.4
81.43317	0.8
82.02991	16.9
82.06640	3.6
84.00938	1.0
84.04551	4.3
85.02959	16.0
93.03468	4.1
95.84236	0.9
96.04519	1.4
98.02490	8.3
100.04063	10.9
101.02454	8.8
107.04957	1.0
110.02496	1.9
110.06098	1.8
111.04512	2.2
112.04071	1.4
113.02457	8.3
113.06104	1.0
114.38240	1.1
115.08808	1.2
117.39160	1.0
126.05613	7.3
128.03545	2.1
128.07187	7.3
129.01959	32.2
130.08772	6.2
135.04567	1.9
136.07707	2.2
138.05605	2.9
143.11897	1.3
148.07724	3.6
150.09258	11.0
152.10825	7.8
153.28725	1.0
155.14558	1.0
156.06688	5.3
168.10330	3.6
179.03458	1.8
186.16104	1.4
196.09790	10.8
203.16115	1.0
212.09293	13.7
214.10884	2.9
214.15604	2.2
221.61903	1.0
240.08795	20.7
258.09842	100.0
258.14444	3.1
259.02457	1.2
259.10208	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	259.0227
Annotation	D-myo-Inositol-1-phosphate
Peak:m/z	Relative Intensity
51.99570	0.2
52.72751	0.2
58.84243	0.2
70.17465	0.5
70.17871	0.5
71.01375	0.3
72.99329	0.3
73.62321	0.2
74.02503	0.3
78.95912	100.0
79.95770	0.3
80.96526	2.1
87.05659	0.5
91.15204	0.2
94.98112	0.6
96.96971	30.4
97.02979	0.4
101.02434	0.3
122.97598	0.4
138.98036	1.5
161.04620	0.8
168.99109	0.6
176.92043	0.2
179.00230	1.0
182.99776	0.5
197.01297	0.3
198.90541	0.9
199.00180	0.5
213.05267	0.7
214.93694	0.4
216.90640	2.7
227.64713	0.2
239.86940	0.2
240.91644	0.6
241.01065	0.7
258.92020	1.3
259.02267	35.6
260.02515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
68.64668	1.5
71.01382	1.7
71.56349	1.6
72.00923	10.3
78.95905	4.0
85.02956	1.4
86.02492	51.0
92.05071	50.4
96.96970	1.9
101.02475	1.5
113.02451	2.4
115.34311	1.6
116.05078	50.4
123.04614	1.3
129.05818	3.9
130.06648	2.7
135.04535	3.0
138.05653	1.8
142.06644	23.8
143.06155	2.4
144.08168	7.1
154.06654	5.8
156.07016	6.6
156.08041	1.3
159.04510	1.3
161.04843	3.2
169.07719	10.1
171.09305	58.5
172.04387	9.5
172.09695	2.6
179.03549	2.3
185.11887	1.3
215.08279	100.0
216.08627	4.0
259.02441	2.6
259.07404	5.3
259.11938	2.0
260.05960	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	259.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.57953	0.9
59.01384	1.6
69.39101	7.2
71.01356	1.0
71.05072	1.0
72.00918	11.3
78.95908	1.0
85.02969	1.2
86.02487	53.6
92.05067	57.2
93.05377	1.5
116.05077	58.6
117.05374	2.6
129.05875	1.3
130.06590	1.1
135.04524	1.7
136.04007	1.0
142.06630	23.8
142.18228	0.9
143.06142	2.5
144.08202	7.7
154.06618	4.1
156.06966	5.8
161.04784	1.1
167.06175	1.2
169.07730	11.0
171.09294	61.6
172.09602	2.1
179.03477	1.6
179.52325	0.9
213.77200	1.1
213.79379	1.3
215.08267	100.0
216.08609	5.2
259.07263	19.3
259.11578	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	259.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76727	1.8
58.80741	1.7
69.51678	12.9
70.21390	1.7
78.95893	1.7
80.02691	2.6
83.05038	6.8
84.02190	3.0
91.35971	1.6
141.83553	1.9
163.11336	4.9
165.12917	3.7
167.86203	1.9
179.16628	1.7
180.28130	1.7
199.92372	1.7
209.11847	100.0
210.12141	3.8
227.12952	8.1
259.15564	2.8
274.21750	2.0
275.13068	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	261.0077
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
59.01393	1.0
71.11730	1.5
72.99314	14.4
74.02477	3.2
75.00896	2.4
78.58493	0.6
79.95749	8.5
80.96555	1.5
81.03481	1.9
93.03470	23.9
94.03813	0.7
96.96020	3.1
100.82459	0.7
101.86716	0.7
107.05050	2.3
107.52341	0.6
109.38023	0.6
116.03551	1.8
119.05042	48.3
120.05419	1.3
126.13837	0.6
132.04547	0.8
134.03764	1.4
135.04541	31.6
136.04819	0.8
137.06111	1.4
158.26112	0.7
163.04022	35.8
164.04356	1.2
181.05087	85.1
182.05440	2.5
199.00711	18.7
200.01109	0.8
215.00212	8.2
219.12311	1.1
261.00763	100.0
262.01022	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	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.39777	1.8
66.11221	2.1
69.49016	12.1
71.01350	4.0
71.92090	1.9
73.02923	2.8
73.26948	1.9
73.27406	1.8
77.31929	2.0
85.02955	1.9
101.02464	3.9
113.02468	2.6
123.45384	1.8
163.03894	1.9
180.94771	2.2
219.13806	2.5
219.17447	1.9
263.13074	5.1
263.16541	11.4
263.19470	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	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66545	0.9
59.01385	100.0
60.01740	0.9
69.28894	4.5
69.29320	3.0
69.78620	0.8
70.94250	0.7
71.01380	1.7
72.70405	0.8
73.02953	0.8
73.63627	0.8
80.54364	0.8
98.19807	1.7
101.02455	1.5
122.62524	0.9
129.61876	0.8
132.57788	0.8
143.13756	0.8
146.37889	0.9
190.99815	1.4
218.99323	1.1
228.91797	0.9
262.98438	0.9
263.02075	2.0
263.13034	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	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.75065	4.9
78.98524	0.8
80.50545	0.8
85.02992	1.0
90.75429	0.8
99.51958	0.9
100.09800	0.7
101.02436	2.0
109.37059	0.8
131.03194	0.8
133.95197	0.8
240.34538	0.8
262.98224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.69599	1.1
66.44987	1.0
69.37760	9.2
73.02935	1.5
76.18210	1.0
98.20650	2.1
137.06015	0.9
151.07640	3.1
204.11641	1.6
208.58446	1.2
219.13936	2.6
263.12961	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	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10875	1.5
58.55413	1.2
59.01386	100.0
59.78532	1.3
60.01717	1.8
69.36755	4.3
69.37172	6.4
69.76234	1.4
71.01385	2.8
73.02961	1.9
83.01412	1.5
85.02966	2.3
89.17088	1.4
90.98444	1.5
93.03509	1.5
96.96016	3.6
101.02425	3.0
109.38699	1.3
113.02418	1.9
113.51856	1.2
119.01409	1.4
161.02425	3.3
163.00395	2.1
174.03270	10.3
175.04085	1.8
187.03996	3.8
188.04727	2.6
196.60765	1.3
201.12764	1.3
201.64233	1.3
202.06226	1.5
203.03534	1.7
203.07143	18.6
209.94351	1.7
214.66313	1.4
219.03078	2.5
219.10335	1.9
219.13986	1.9
231.06616	3.3
245.11804	1.4
248.20761	1.5
262.98413	2.2
263.05780	1.6
263.09460	8.3
263.12949	8.5
263.16534	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.51982	1.4
69.64938	7.3
69.93409	1.2
71.01387	3.9
73.02951	2.2
75.76740	1.2
83.15465	1.3
88.41293	1.3
101.02470	2.2
126.21387	1.3
133.06952	5.2
135.04524	1.4
161.02472	3.7
175.04079	1.5
191.03502	1.5
263.05576	2.3
263.13083	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	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30175	1.8
57.37666	1.8
59.01387	100.0
63.15725	1.7
73.20564	1.5
77.51254	1.9
81.97878	1.6
82.80129	2.0
85.02964	2.3
93.03476	2.4
98.20671	4.3
102.15662	1.5
113.02450	4.2
137.02406	4.2
143.03496	4.3
193.82120	1.9
263.05811	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	263.1138
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01872	8.4
57.03436	4.2
57.79836	1.1
58.00599	4.0
59.01383	72.7
60.17556	1.3
61.34510	1.1
69.03485	1.1
69.81334	2.9
69.81749	3.5
71.01385	100.0
72.99318	3.6
73.02951	26.4
75.00879	1.4
83.01388	11.7
85.02960	41.0
87.00873	4.3
89.02451	27.6
95.01378	8.7
97.02950	2.0
99.00898	11.4
101.02450	80.2
101.06084	1.9
103.69036	1.1
106.38337	1.4
113.02454	38.7
114.02731	1.0
119.03495	8.7
125.02450	2.4
129.01936	1.6
143.03473	4.0
159.02983	9.2
161.04573	44.9
179.05560	2.2
192.18965	1.3
263.08475	2.2
263.11319	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	263.129
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
53.68383	2.2
57.03424	2.5
59.01387	100.0
66.31351	2.2
70.76270	2.2
71.01391	9.8
71.27453	4.2
73.02936	2.7
79.01900	8.5
79.95722	2.5
83.05050	5.1
85.02948	4.5
87.00921	3.0
93.03427	4.6
96.96017	6.3
97.02953	11.2
101.02521	3.2
105.63171	2.3
107.05050	3.8
108.05849	5.6
109.02970	9.4
109.06582	3.0
111.04539	16.5
113.02513	3.7
113.06116	7.5
121.06615	3.9
122.03761	13.6
123.08164	7.0
125.06096	11.1
131.25009	2.3
135.04535	3.5
135.08159	4.9
136.05350	15.0
137.06104	7.2
137.09706	3.1
138.06882	13.2
139.07672	29.6
147.08235	3.4
148.05316	9.7
149.06094	3.7
151.00394	11.0
151.03990	4.2
151.07660	61.3
152.04810	6.7
152.08423	37.8
153.09186	9.1
159.11786	6.8
161.09778	4.7
163.00360	6.1
163.07690	12.9
166.06335	9.1
179.03595	3.4
182.46542	2.7
189.09225	7.1
194.05806	16.8
198.05309	10.7
201.12846	26.8
203.10855	27.5
204.11563	57.6
205.11925	3.3
219.10553	3.5
219.13908	79.8
220.14218	4.2
262.98361	6.1
263.05051	5.4
263.09433	6.4
263.12903	54.0
263.15918	3.2
264.13412	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	263.2018
Annotation	KDC 165
Peak:m/z	Relative Intensity
58.94823	0.3
59.01397	2.0
62.98996	0.3
71.01383	1.0
71.56198	0.4
71.56602	0.3
72.56893	0.3
73.96459	0.3
78.15843	0.3
96.73631	0.3
105.71624	0.3
121.02976	0.4
127.07609	0.5
133.02962	0.3
153.46066	0.4
163.00548	0.3
164.23004	0.3
190.99876	0.3
196.27553	0.3
219.17548	0.4
219.21400	0.7
227.21049	0.4
234.64594	0.3
238.52686	0.3
241.60460	0.3
245.19212	0.8
261.18658	0.5
263.02277	0.4
263.20169	100.0
264.20529	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	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03468	1.3
58.00593	4.6
59.01387	100.0
66.65395	1.1
68.60703	1.3
71.01392	64.4
72.99312	6.5
73.02946	2.0
74.02488	2.8
82.00191	1.1
83.01385	2.0
85.02962	58.2
85.04081	2.1
87.00900	4.2
89.02457	67.3
95.01389	5.8
101.02454	32.8
106.75182	1.3
107.03627	1.4
107.05021	1.1
109.02977	2.6
112.67622	1.0
113.02462	23.9
115.00442	1.5
117.05600	4.6
119.03514	29.4
124.69524	1.4
129.02077	1.3
131.03546	2.7
133.01570	3.2
133.03014	1.5
134.03696	1.8
135.04547	8.0
143.03487	3.2
149.02531	1.3
149.04626	2.2
150.04228	10.7
160.34021	1.2
161.02483	7.8
161.04564	3.6
163.04004	2.3
163.67023	1.1
173.04544	1.3
176.05760	1.1
177.05772	2.4
178.06375	1.5
179.03514	4.1
179.05623	5.7
179.07088	2.1
191.05502	1.3
209.02966	2.8
221.09384	6.5
228.94621	1.5
230.23166	1.1
265.04984	1.6
265.09528	11.2
265.12003	2.0
266.06512	1.1
266.08884	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	265.1448
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.30410	1.8
55.15109	1.6
56.12477	1.8
57.03447	4.0
58.15118	1.7
58.52015	1.6
59.01381	6.3
59.68911	1.7
65.02082	1.8
65.03953	7.0
67.01882	1.9
69.03471	1.9
69.56074	11.4
71.01382	7.6
81.03468	22.6
83.05039	30.2
85.02948	2.3
93.03457	19.2
95.01379	3.3
95.05029	8.7
96.96008	6.1
97.03001	1.8
101.02486	2.1
107.05035	2.2
108.02197	2.5
109.02941	7.0
109.06600	5.6
110.03741	7.4
111.04537	63.2
111.08126	1.7
121.02937	3.9
122.48276	1.7
123.04504	3.3
123.08163	2.1
125.09724	4.3
135.04576	2.8
137.09746	3.0
139.11296	9.5
155.10944	2.6
163.03973	8.4
171.10281	7.4
177.12883	8.3
178.06387	4.0
191.03607	2.7
193.15985	14.2
203.14386	2.3
219.13931	7.3
220.14424	2.0
221.11844	17.0
221.15401	3.0
232.31287	1.8
237.14969	87.1
238.15341	5.1
247.13371	16.0
265.07306	2.5
265.14474	100.0
266.14841	5.5
277.95105	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	265.2175
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.88961	0.4
59.01379	0.5
69.33775	0.5
69.34126	3.4
86.50111	0.4
96.71376	0.5
96.96019	8.1
98.20606	0.7
149.60547	0.4
163.03998	0.6
186.58115	0.3
247.20491	0.7
265.15091	5.2
265.21741	100.0
266.22110	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	266.0825
Annotation	PD 98059
Peak:m/z	Relative Intensity
51.23518	0.8
52.05340	0.9
52.87471	0.7
58.66974	0.7
59.01372	1.4
70.58349	1.7
71.01388	0.9
73.32758	0.7
79.73410	0.7
85.02946	0.7
92.05070	36.8
93.05400	1.3
96.96027	1.0
116.05075	21.6
117.22433	0.7
118.02999	3.1
121.02976	0.9
131.03763	3.5
144.04570	34.0
145.04909	1.2
147.04526	2.7
161.11797	0.8
172.62106	0.8
183.69432	0.8
192.08258	5.3
194.09779	31.4
194.11540	1.7
195.10056	1.5
200.35028	0.7
203.07478	1.5
204.08182	6.9
220.07668	0.9
222.09259	100.0
222.99043	0.8
223.09627	4.4
245.11472	0.7
248.07143	1.6
248.91042	0.8
266.08243	99.2
266.97620	0.7
267.08585	6.5
267.16263	1.1
267.19708	2.6
269.93365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88365	0.3
56.03274	0.3
57.03452	0.6
57.12512	0.3
59.01387	4.6
65.01477	0.5
66.00987	0.9
69.67077	1.8
71.01390	3.2
72.99303	0.8
75.00883	1.4
78.01004	0.4
82.04131	1.1
85.02954	4.8
87.00898	1.3
89.02442	1.3
92.02557	0.7
93.03461	0.8
96.96023	0.5
98.20603	0.5
99.00896	0.6
101.02464	0.6
101.10150	0.3
106.02840	0.6
107.03649	4.4
108.02047	10.7
109.02959	1.2
113.02464	3.1
115.65388	0.3
117.01981	0.4
118.98113	1.0
125.04750	0.4
126.03107	4.8
132.03082	0.4
133.01572	32.9
133.02933	1.5
133.05211	0.6
134.01950	0.6
134.03665	2.2
134.04547	0.5
135.04544	3.8
147.52507	0.4
149.03444	1.5
149.06248	0.3
150.04224	100.0
151.02631	1.1
151.04514	1.3
159.03220	0.5
161.02460	4.0
161.05989	0.5
167.85925	0.4
173.04584	0.6
176.05785	11.7
177.06029	0.5
179.03564	3.0
180.03807	0.4
189.04762	0.4
191.05653	1.0
192.40848	0.3
209.02998	1.4
244.89973	0.4
249.86182	0.4
266.08957	62.1
267.06995	6.2
267.09863	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	267.0725
Annotation	formycin b
Peak:m/z	Relative Intensity
50.71189	0.5
55.01884	1.0
57.03190	0.7
57.03450	6.2
58.00585	0.7
59.01385	31.3
66.03634	0.5
69.03468	0.6
70.88647	1.2
70.88979	0.5
71.01386	39.4
72.99311	4.3
73.02966	1.1
74.99152	0.5
75.00878	15.8
78.95920	0.8
83.01395	0.7
84.02159	0.5
85.02959	38.1
86.50522	0.5
87.00882	17.5
89.02451	13.4
91.04037	0.9
95.01394	7.4
99.00895	9.4
101.02467	3.1
101.03006	0.5
102.99792	0.5
103.00365	3.1
112.01669	0.9
113.02460	47.2
114.02795	0.8
115.00385	2.0
117.01971	3.4
119.03500	0.9
127.03986	0.6
129.01965	2.7
131.03520	1.4
157.01363	0.7
164.40294	0.6
175.02492	2.1
179.03882	0.6
205.07248	0.9
206.95529	0.9
207.05139	1.9
249.06171	5.5
267.07233	100.0
268.07581	3.5
268.67593	0.4
271.16559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1241
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
57.03440	0.8
59.01374	3.0
65.00359	0.6
70.75471	0.5
71.01376	1.7
71.11186	1.0
83.05061	0.6
85.02953	1.0
92.24895	0.5
96.96024	5.3
97.02985	0.7
101.02459	1.0
105.05642	0.7
121.02977	1.0
135.00902	0.7
161.04543	0.7
180.14818	0.6
205.12401	1.2
209.04639	0.8
223.13406	100.0
224.13759	5.0
249.14989	1.8
252.04286	0.9
256.77911	0.6
267.06662	1.5
267.09766	1.0
267.12384	11.3
267.15988	3.3
267.19891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1241
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.68287	0.9
55.52666	0.8
56.60147	0.9
57.03455	5.0
57.97562	0.9
59.01385	100.0
60.01738	1.0
66.48860	0.8
69.52374	3.4
69.52795	2.6
71.01394	2.7
71.05019	2.8
73.02961	1.0
79.95747	5.6
80.96540	1.8
83.05022	3.1
85.02940	0.9
87.00889	2.6
89.13747	1.1
95.01319	0.8
96.96012	3.2
101.02391	1.4
107.01342	1.0
123.04496	1.1
134.03830	1.3
140.93240	2.6
149.06073	1.9
160.95235	0.9
161.13300	2.1
162.06909	1.1
163.11296	1.7
178.99905	1.6
179.14435	1.2
187.11200	0.9
195.13878	5.6
205.12393	4.5
205.16090	1.4
207.10318	2.2
222.19293	0.9
223.13409	58.0
224.13725	3.3
233.20882	0.9
236.09642	6.6
249.07671	2.4
267.08862	2.6
267.12378	14.0
267.15982	7.8
268.06763	7.0
268.12820	1.1
272.92905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.72767	0.7
54.16782	0.6
54.27802	0.7
55.89362	0.7
57.03456	3.8
59.01386	100.0
59.30442	0.7
60.01722	1.1
69.46619	0.7
71.01400	1.5
71.05041	2.5
71.12945	1.0
71.28815	0.7
71.95869	0.7
73.02967	0.8
81.52263	0.7
83.05024	1.2
85.02947	0.9
87.00908	2.8
92.75681	0.7
96.96040	3.1
101.02489	0.9
109.02998	0.8
121.03000	1.4
135.11725	0.8
161.04691	1.0
161.13460	2.7
163.11343	1.8
189.65796	0.8
205.12326	1.7
205.16191	1.2
207.10359	3.2
223.13409	45.2
224.13835	2.0
248.96565	0.8
249.15123	1.6
267.06628	0.8
267.12534	6.9
267.16138	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	267.2332
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
50.58210	0.3
51.43326	0.3
63.02411	0.6
65.00323	0.8
70.80385	0.8
73.73996	0.3
89.00336	0.6
91.01922	0.5
98.10267	0.3
98.95603	0.6
107.01414	0.8
135.00919	0.8
136.98788	1.2
151.00313	0.7
157.10252	0.4
162.77615	0.3
162.83763	0.3
163.56386	0.4
178.99861	1.3
222.98781	0.4
248.96786	0.7
266.97928	0.5
267.23318	100.0
268.23672	6.2
281.78830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.03444	0.2
58.98809	0.2
59.01379	0.7
63.02090	0.5
63.02404	5.9
65.00334	3.1
70.18432	0.7
71.01382	0.3
83.01393	0.7
85.02991	0.4
89.00362	0.3
93.03470	0.9
105.03465	0.6
107.01408	4.6
108.24802	0.2
109.02967	0.4
109.06596	0.4
117.03481	13.3
118.03796	0.4
119.05002	0.2
121.02979	0.7
123.08115	0.2
135.04532	0.9
143.29338	0.2
149.02451	3.0
151.00385	3.1
155.05057	0.3
157.06604	0.5
159.04524	4.0
160.04802	0.3
161.02428	1.6
168.05595	0.2
169.06601	1.0
171.04526	0.5
173.06099	0.3
180.05824	0.6
181.06578	0.7
182.03670	0.3
183.04507	1.5
195.04489	0.3
196.05283	0.6
197.06065	1.3
199.03983	0.3
201.05562	1.1
203.03569	0.3
207.13995	0.4
213.05566	0.3
224.04878	0.9
225.05583	2.6
225.15004	0.6
227.03539	1.1
241.05193	0.3
268.03870	0.3
269.04575	100.0
269.13901	1.3
269.17554	0.8
269.21249	1.3
269.24869	0.7
270.04926	5.7
274.44174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	12.2
71.01392	10.8
72.99294	4.1
73.98357	2.6
85.02962	3.8
87.00903	3.1
89.02451	100.0
96.96017	4.5
109.02943	2.4
117.03517	3.7
121.02975	2.9
124.00746	2.9
159.04533	2.7
167.03812	2.4
171.85858	2.3
177.43164	2.6
185.01407	2.3
198.36433	2.5
207.24007	2.4
213.89026	2.1
269.04477	6.5
269.07288	8.6
269.21246	8.9
269.24744	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	11.2
57.03442	7.2
58.00593	3.4
59.01385	57.9
69.52982	6.7
69.53409	5.1
71.01389	100.0
72.01701	2.1
72.99320	6.5
73.02959	43.7
75.00861	2.8
75.98676	1.6
83.01389	19.8
85.02957	53.7
89.02448	6.4
95.01405	9.4
97.02961	3.2
98.19798	3.1
99.00900	18.5
101.02454	87.2
111.00900	1.8
113.02460	41.7
125.02480	2.8
135.04501	2.0
137.78612	1.8
143.03465	3.1
159.01822	1.9
159.03021	9.6
161.04570	23.9
215.45944	1.7
269.10266	5.1
271.71130	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	269.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86773	1.3
55.01888	13.4
57.03455	8.7
58.00611	3.5
59.01386	52.4
63.41413	1.4
71.01390	100.0
71.55362	2.3
72.01685	1.5
72.99322	3.2
73.02959	40.0
75.00875	2.3
75.68625	1.4
83.01397	17.3
85.02963	62.7
87.00888	3.8
89.02486	3.5
95.01423	7.0
96.96016	3.0
97.02939	2.4
99.00890	16.1
101.02458	82.5
107.05033	2.7
109.02947	3.3
113.02460	40.2
125.02441	2.2
129.01974	2.7
135.04543	2.4
143.03485	3.3
147.04543	6.3
159.03018	8.6
159.04474	3.4
159.05775	1.6
161.04573	25.0
163.19676	1.5
170.22911	1.3
197.85970	1.6
205.03532	1.7
269.08038	3.6
269.10645	7.6
269.21262	7.0
269.24805	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	269.1299
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.44428	0.5
59.01369	0.9
62.96413	1.0
65.25757	0.4
71.01377	1.3
83.01427	0.5
96.33922	0.5
98.19828	1.0
120.04558	2.0
132.98192	0.5
134.06152	0.5
136.07672	0.7
161.04680	0.6
167.14445	0.7
186.95657	2.2
207.17584	1.1
210.09117	0.7
211.08755	4.6
211.13419	1.0
212.09456	0.9
225.06905	0.8
225.10347	7.0
225.18713	0.5
226.10760	0.9
226.12491	1.5
239.08241	4.5
240.08905	0.8
241.13498	3.5
251.12000	0.7
253.09734	2.8
254.10619	17.0
255.10902	1.0
269.04984	2.6
269.12964	100.0
269.17679	4.4
269.20700	4.3
269.24832	3.1
270.10501	0.7
270.13293	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	269.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73157	0.6
57.03454	2.1
59.01386	100.0
63.19951	0.6
69.34713	5.4
71.01406	0.9
71.05078	0.6
77.29418	0.6
83.05038	0.8
85.02976	0.6
87.00890	1.3
87.04512	0.7
91.56771	0.7
95.05044	0.7
97.06627	1.1
99.04533	3.9
109.06593	0.9
112.45506	0.7
136.23016	0.6
165.12851	10.2
189.12929	1.9
191.10721	1.4
207.13924	17.5
209.11850	20.6
225.14969	12.0
239.03299	0.7
251.12923	9.9
269.04529	2.7
269.13962	67.8
269.21255	3.7
269.24762	1.6
270.14188	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	269.2125
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.69878	0.3
57.03445	1.0
59.01381	0.4
69.63706	1.9
83.45039	0.3
94.95227	0.3
111.97854	0.3
113.02477	0.4
142.42883	0.3
186.95598	0.9
209.19078	1.1
225.22295	0.9
257.07150	0.3
269.21231	100.0
270.21619	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	269.2489
Annotation	Margaric acid
Peak:m/z	Relative Intensity
69.69362	1.7
69.69766	2.9
87.11802	0.8
95.01389	1.2
109.02947	1.3
112.68736	0.8
137.02489	1.3
153.01920	0.9
269.04361	1.4
269.24869	100.0
270.25214	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	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.15452	0.7
54.97971	0.7
57.02021	0.8
57.03448	0.8
59.01391	1.3
63.02406	12.4
64.35923	0.6
65.00333	19.3
68.21913	0.7
78.90944	0.7
81.03432	0.9
83.01398	12.8
83.05032	1.1
93.03466	17.3
95.01395	2.1
95.05021	0.9
98.19888	2.0
107.01402	27.2
108.02209	3.9
109.02951	1.3
119.05039	82.3
120.05388	2.0
121.02978	1.8
125.02489	2.3
133.02937	1.8
135.00928	1.1
143.05035	2.4
145.02960	1.9
149.02414	0.9
151.00380	77.6
152.00723	1.5
161.02444	1.4
161.06081	1.6
165.01965	4.2
169.01456	3.5
171.04570	1.2
177.01941	12.3
183.04694	1.1
183.13908	0.9
185.05942	1.5
187.04030	2.3
191.03513	2.5
199.04057	1.4
201.01933	1.5
209.11797	0.9
227.07214	2.2
241.05034	0.9
243.02948	2.2
253.08574	0.7
253.14464	1.6
256.07574	0.9
271.02542	27.8
271.06113	100.0
271.15567	3.5
271.22736	1.7
272.02875	2.2
272.06442	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	271.0616
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.29301	0.4
56.51713	0.4
59.01389	1.1
63.02404	10.8
65.00332	20.0
65.74268	0.4
67.01913	0.9
68.67895	0.4
68.99809	0.5
71.01380	0.5
71.58138	0.7
77.73550	0.4
79.95755	0.7
81.03497	0.6
83.01394	12.2
83.05042	0.7
85.02943	0.9
87.04488	0.4
93.03471	16.2
95.01427	1.2
107.01405	28.5
108.02235	2.6
109.02975	1.0
109.84721	0.4
110.50846	0.4
114.01241	0.5
117.03502	0.7
117.63371	0.4
119.05042	84.5
120.05393	2.0
121.02964	0.9
125.02472	1.6
133.03017	0.8
137.02473	0.7
143.05035	1.0
145.02966	1.7
151.00383	71.8
152.00710	1.8
157.06609	0.5
161.06110	1.4
165.01958	3.9
169.01404	3.7
174.01802	0.6
177.01964	9.6
177.03355	0.5
185.06107	1.3
187.04016	2.9
197.11713	0.5
197.47070	0.5
209.15375	0.9
211.13441	0.6
221.11850	0.7
223.49823	0.5
227.03616	0.6
227.07173	1.8
227.16515	0.6
229.05096	0.8
235.13397	0.8
238.13744	0.8
239.13002	1.0
253.05060	0.7
253.16260	0.7
265.92886	0.5
271.06143	100.0
271.15433	4.6
271.19193	1.3
271.22754	2.1
272.06555	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	271.0826
Annotation	Arbutin
Peak:m/z	Relative Intensity
51.70607	0.3
55.01892	0.4
58.17406	0.3
59.01381	1.2
69.87619	1.8
71.01389	7.5
73.02950	2.7
83.01389	0.5
83.47848	0.4
85.02955	3.4
88.24786	0.4
91.46089	0.4
95.01392	1.4
98.19981	0.7
99.00916	0.9
101.02457	4.8
108.02187	100.0
109.02995	12.5
110.03307	0.5
113.02457	3.5
119.54255	0.4
121.02937	0.9
122.03671	0.5
123.00879	0.7
123.04529	1.7
124.71567	0.4
125.02454	0.4
127.93658	0.4
133.02937	0.8
135.04549	0.6
151.04036	3.7
159.02994	0.6
161.04572	4.6
163.04045	1.6
242.05861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.84719	1.5
59.01384	11.4
68.99819	2.1
69.03450	2.4
69.70953	7.3
71.01389	14.3
72.99321	12.9
73.02941	2.6
75.00876	1.9
80.02663	1.6
81.03407	1.6
83.01411	2.4
87.00881	3.7
87.33174	1.6
93.03447	6.7
97.06609	9.2
98.20644	2.0
99.00882	9.7
107.05032	3.1
108.02190	12.1
109.06615	10.1
111.00885	3.3
111.08145	2.5
112.98821	12.3
115.00391	3.3
117.01945	4.6
121.06635	4.0
122.53777	1.7
123.04477	1.8
124.98788	2.6
125.06074	10.4
127.07656	6.3
130.08740	1.9
132.02155	2.0
133.03012	2.4
134.03749	3.2
135.03023	2.1
135.04555	2.4
136.44885	1.5
137.06107	10.7
139.07652	4.7
142.99879	50.8
149.06087	7.6
153.05585	19.4
155.07133	3.7
160.01688	3.7
163.07637	1.7
165.05597	3.9
167.07166	5.4
168.38281	1.6
173.00865	6.4
173.04539	4.1
174.01706	100.0
175.02144	3.5
175.04018	3.4
179.07138	2.1
185.16615	2.2
186.15002	1.5
191.19693	1.9
193.05058	15.4
211.06123	5.3
213.05664	2.1
241.05009	3.7
256.07422	4.1
271.02560	3.1
271.05743	2.5
271.15869	3.1
271.22745	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00779	0.5
59.01369	1.1
71.25232	0.9
75.00879	100.0
83.05051	1.1
83.60386	0.5
99.52950	0.5
106.27386	0.6
108.02192	3.8
109.02966	1.5
125.02430	0.5
140.35110	0.7
140.95346	0.6
176.98816	1.5
193.46574	0.6
241.05067	1.0
271.06174	0.9
271.09760	1.0
271.15585	1.1
271.19205	1.7
271.22806	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	271.1918
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03463	0.7
59.01373	0.5
69.80676	2.5
73.83044	0.5
80.48763	0.4
80.79014	0.5
93.87897	0.5
102.94973	0.5
108.02220	0.7
109.02940	0.5
117.79341	0.4
189.29416	0.5
194.95973	0.4
207.17543	0.6
209.19128	59.0
210.19434	2.9
227.20161	1.8
253.18111	45.5
254.18411	2.5
271.19180	100.0
272.19547	5.2
292.94098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.31528	0.2
54.56324	0.2
59.01379	0.4
71.20460	0.6
72.99297	0.2
74.35035	0.2
85.13525	0.2
91.27176	0.2
95.01440	0.3
95.12209	0.3
101.57931	0.3
106.16479	0.2
107.19964	0.3
108.02172	0.3
135.54231	0.3
139.00468	0.3
209.19122	0.6
211.20631	1.8
225.22217	1.4
245.68770	0.2
253.21774	1.7
269.21194	0.9
271.22803	100.0
272.23138	6.8
282.03024	0.3
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
57.88887	0.8
59.01375	2.2
61.98846	0.9
67.30571	0.8
68.99562	1.9
71.05006	1.9
83.05033	1.1
95.01368	1.0
97.06564	0.9
99.08155	3.4
104.33342	1.0
106.68977	0.8
108.02175	2.2
112.98573	2.5
125.02466	1.1
125.72161	0.9
155.14426	3.8
155.41832	0.9
169.15967	1.0
171.93060	0.9
176.98787	2.6
186.78685	0.9
211.20770	1.7
225.22279	7.2
227.20190	2.7
253.21730	2.0
258.15729	0.9
269.21216	1.4
271.19617	3.4
271.22800	100.0
272.23077	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	271.2282
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.19839	0.3
55.01893	0.5
62.01893	0.3
71.01437	0.3
71.20634	0.6
72.99284	0.3
95.01386	1.0
179.79286	0.3
197.19067	0.9
221.19122	0.8
223.20642	3.6
225.22252	62.6
226.22617	3.7
244.85370	0.4
253.21797	1.9
266.92996	0.3
271.22803	100.0
272.23117	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	272.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08624	0.3
57.03476	0.3
59.01385	10.7
70.69312	0.7
71.01392	1.5
72.01708	0.6
72.99303	0.7
73.02937	0.4
74.99387	0.5
77.53245	0.3
78.95918	1.4
83.01381	0.4
84.08210	0.4
85.02999	0.5
87.05676	0.4
88.04031	0.4
101.02460	0.7
108.02192	9.3
108.02927	0.8
109.02486	9.1
110.02540	0.9
110.03345	1.0
110.98532	1.0
114.05629	1.2
117.00433	1.8
126.98867	0.6
128.07216	1.1
130.08751	100.0
131.09123	1.9
134.04721	1.0
152.04381	0.7
156.99910	0.8
159.01524	0.4
159.07736	0.6
162.04826	0.5
168.99937	1.7
172.01009	0.4
178.89304	0.4
185.03119	0.7
210.06297	0.7
212.07965	0.4
212.98996	0.9
228.07333	3.1
230.08849	8.2
231.09109	0.4
241.01009	0.5
243.11790	0.4
244.06889	0.4
254.99997	1.1
272.09924	46.8
273.03848	2.1
273.10138	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	273.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81623	1.9
54.99484	2.3
59.01375	2.4
60.27635	1.9
62.03567	1.9
62.24882	2.0
63.47092	2.1
71.01387	3.5
71.53943	2.3
72.99315	18.6
78.95911	92.7
87.88879	2.0
96.96969	4.7
110.98541	59.1
114.01886	2.2
115.00337	2.4
117.00455	3.1
117.90485	2.2
125.00977	32.4
126.98882	18.5
127.98970	2.3
131.02003	6.2
132.04198	2.6
141.00435	4.7
145.06200	2.9
156.99957	25.0
157.03531	4.7
167.02026	2.8
168.98543	4.5
168.99944	76.3
170.00024	4.3
173.03091	4.7
183.01445	5.1
185.03119	15.2
187.00958	6.3
191.05641	20.2
195.01331	2.4
198.90620	2.3
199.01001	8.5
211.00972	11.0
212.98955	31.1
241.01259	17.6
255.00003	35.1
256.00201	2.8
273.03845	100.0
274.04178	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	275.0928
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01377	1.8
69.03465	0.9
69.33044	3.2
69.33472	1.7
71.01397	0.7
76.20973	0.5
77.03981	1.2
81.03494	0.7
83.01419	0.9
85.02975	0.7
89.02482	0.6
89.03976	1.3
93.03483	0.9
94.05587	0.6
95.05045	1.8
97.06619	1.2
105.03460	6.7
117.03490	3.5
119.05074	0.6
121.03032	0.8
121.07565	0.5
123.04533	1.1
125.02446	1.9
125.94003	0.5
130.04297	1.0
133.02975	16.3
134.03755	28.7
135.04582	8.2
137.02449	0.9
139.04019	0.6
145.02946	1.1
145.06543	0.7
146.03737	1.3
148.05244	0.7
149.02400	0.7
158.03714	2.9
159.04526	4.2
159.08144	0.8
161.02438	4.0
162.03227	11.2
162.78439	0.5
172.05299	11.2
173.04640	1.2
173.06096	7.9
174.06813	1.4
177.01913	1.3
178.02750	2.1
179.03546	0.7
185.09758	0.7
187.04158	4.4
187.07658	100.0
188.08066	3.6
201.05603	10.7
202.06367	18.0
203.03539	1.4
203.06711	0.7
203.10760	3.5
204.04271	2.4
213.09225	3.4
216.07933	1.4
231.06570	1.3
231.10272	43.0
232.10577	2.3
247.09779	0.6
275.05893	1.9
275.09268	31.8
276.09583	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	275.2019
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01394	5.7
59.42027	0.8
83.05000	1.1
85.14840	0.9
98.20683	1.9
102.23194	0.9
103.50240	1.0
107.53291	0.7
169.28389	0.8
177.16534	1.1
195.02975	0.8
196.64667	0.8
231.21165	7.6
232.21474	1.1
275.20166	100.0
276.20554	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	275.202
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
59.01384	9.1
60.17484	4.6
64.75214	4.3
71.56235	6.4
72.35184	4.5
78.79676	4.3
83.48223	4.1
96.08569	5.2
127.87491	5.2
135.32550	4.3
155.63414	4.9
160.68637	4.6
187.00391	8.5
202.99809	7.9
206.06964	4.2
209.39186	4.4
231.21207	100.0
232.21423	6.2
274.98315	7.5
275.17130	5.9
275.20212	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77677	1.6
59.01385	4.8
62.94222	1.5
71.55383	1.8
71.55774	2.3
89.00354	2.2
91.05545	2.7
100.07742	2.1
103.61454	1.3
104.99515	1.4
116.05096	1.7
118.06576	1.6
121.02989	2.9
128.07196	34.2
128.08147	2.3
129.07625	1.8
130.57086	1.5
152.91801	5.2
160.98892	2.0
194.92856	12.7
194.95630	1.7
204.13969	1.9
204.97714	1.7
210.58891	1.6
212.24384	1.9
232.13443	100.0
232.97209	2.4
233.13780	4.8
276.93311	1.8
277.18631	2.1
277.21756	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	276.1606
Annotation	Grandisine C
Peak:m/z	Relative Intensity
51.09489	0.6
55.01885	0.6
59.01368	2.0
70.63823	1.6
85.03016	0.7
89.00346	0.6
103.65534	0.5
116.99792	0.7
119.07394	0.8
120.22652	0.6
121.02959	0.9
134.09772	39.1
135.10118	0.9
148.11325	0.7
150.07584	0.6
152.90607	0.6
152.91772	2.6
160.98970	0.6
161.08470	1.0
162.50714	0.6
167.90541	0.8
172.11279	0.6
175.09958	1.8
190.12392	100.0
191.05641	0.8
191.12718	4.7
194.92772	4.3
194.95451	0.8
204.97906	0.6
233.45871	0.5
271.51306	0.6
276.12939	0.9
276.16034	16.2
276.20602	1.0
277.21664	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	276.9184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07184	0.4
57.30745	0.4
59.01385	0.6
72.99307	1.7
78.95908	16.0
79.95760	0.6
84.70728	0.4
94.02987	0.8
96.96023	12.9
96.96960	5.1
112.04104	0.5
117.37103	0.4
120.02139	0.4
120.94518	0.4
134.96100	4.0
134.97092	1.9
136.94023	100.0
137.23477	0.4
137.94095	5.3
151.92744	0.8
156.03059	0.7
160.32498	0.4
176.98122	0.6
178.93474	1.0
178.95020	16.8
179.01265	0.6
179.95256	1.2
190.01796	0.8
194.93077	1.9
198.89325	0.8
198.90689	1.6
202.93533	0.4
214.93660	0.7
216.90462	68.9
217.90538	3.7
218.93044	4.3
219.92989	0.7
220.94661	2.4
232.94751	0.7
234.90659	17.9
235.90950	0.7
240.91556	0.7
246.92067	0.6
255.42378	0.6
255.92323	1.2
258.91672	8.0
276.92075	1.0
276.98831	9.4
277.21802	0.9
290.45047	0.4
294.94672	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	277.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99610	7.4
59.01388	1.3
63.04337	0.9
71.01395	1.2
71.58038	1.5
72.97540	3.3
74.99107	49.7
84.76421	0.8
87.00886	19.7
89.00344	2.9
90.98606	74.6
98.01955	4.7
117.00146	2.7
120.99674	1.5
121.02970	1.3
127.05894	100.0
128.06268	2.5
129.10344	2.5
130.06587	1.2
134.03772	1.0
135.01228	4.9
145.06946	78.3
146.07234	1.3
146.08293	1.0
160.98943	3.0
174.05661	1.1
179.00201	22.5
189.05917	19.3
193.52023	0.9
197.04617	1.2
215.07477	28.8
216.07768	1.8
232.97278	2.6
233.08548	11.0
259.06332	1.2
276.96265	1.5
277.04807	1.5
277.07578	14.6
277.15494	3.1
277.21832	1.3
278.07599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1447
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
52.84532	1.8
56.73129	1.6
59.01107	2.7
59.01389	41.4
64.08675	1.5
70.53230	1.4
70.56358	2.4
70.56696	2.0
71.01405	3.5
74.13461	1.5
75.02412	4.8
79.95748	2.5
85.02962	1.8
88.54336	1.6
89.00343	10.5
92.99833	2.7
93.03481	2.0
107.05035	4.4
108.59372	1.4
116.99852	2.3
121.02972	49.3
127.11309	56.7
128.11569	2.0
129.12967	1.6
134.03763	93.6
134.89471	1.9
135.04451	4.8
147.00885	7.2
152.91772	8.1
160.98820	10.1
165.01976	2.6
167.90598	1.9
170.57938	1.4
188.98306	3.3
190.99942	3.2
194.92773	9.5
204.97798	6.1
205.16016	15.0
232.97299	5.8
233.00960	1.9
233.15480	10.7
233.19051	7.5
233.86057	1.7
249.14954	2.9
270.20319	1.9
271.34381	1.5
276.93494	1.7
276.96222	6.2
277.07748	1.6
277.11472	3.1
277.14511	55.5
277.18112	100.0
277.21686	35.5
278.14926	2.5
278.18433	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
61.33605	0.2
65.00325	0.3
70.36290	0.8
71.01378	0.5
83.05060	0.3
89.00332	1.1
92.99864	0.3
121.02937	0.5
144.99193	0.2
152.91667	0.3
160.98804	0.5
161.04588	0.2
175.85811	0.2
188.98314	0.3
196.34557	0.2
204.97768	0.8
205.15955	0.3
232.97260	0.6
233.22697	0.4
256.39978	0.2
259.20819	0.5
275.20181	0.6
276.96323	0.5
277.21741	100.0
278.18970	0.4
278.22083	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01388	7.3
62.50376	0.6
70.10322	2.4
89.00330	2.6
116.99880	0.7
121.02935	1.7
127.11263	0.7
134.03716	0.7
138.45557	0.6
152.91702	0.7
160.98811	1.9
194.92810	0.9
204.97798	2.0
205.15984	1.9
232.97202	1.2
233.19041	1.0
271.51285	0.5
276.96002	1.2
277.18207	11.5
277.21713	100.0
278.18817	1.1
278.22040	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	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25896	0.5
59.01399	2.8
65.00339	0.6
65.97086	0.5
71.01387	1.7
71.57602	0.6
89.00337	5.7
92.99834	1.1
96.96041	0.7
99.96711	0.5
116.99833	1.3
121.02960	2.3
144.99277	0.7
148.33495	0.5
160.98843	4.4
188.98315	1.8
196.61159	0.7
204.97829	2.5
232.97298	3.0
233.00908	0.7
259.20746	0.6
275.92325	0.6
276.96332	1.6
276.99677	0.8
277.21756	100.0
278.22131	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	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85047	0.2
56.09722	0.2
59.01385	1.6
65.13873	0.2
71.01382	0.6
93.52957	0.2
98.19812	0.4
103.67638	0.2
150.42514	0.2
172.84108	0.2
183.53807	0.2
204.97833	0.3
205.16075	0.2
205.36765	0.2
233.22824	0.7
259.20547	0.4
275.20328	0.4
277.21744	100.0
278.22116	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01381	1.1
69.55350	3.4
69.55677	0.5
100.18597	0.5
176.89093	0.5
180.70879	0.6
188.60283	0.6
218.75699	0.5
237.59134	0.5
246.98627	0.5
257.11508	0.5
259.20636	0.7
277.21738	100.0
278.22101	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	279.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
60.93245	0.6
71.01377	0.8
71.15749	1.2
74.82599	0.7
76.25240	0.6
91.01974	0.7
92.05066	43.1
92.48459	0.6
96.96020	6.6
107.01444	0.6
116.05075	100.0
117.05451	2.2
118.03012	22.4
118.03860	1.3
119.01393	1.2
119.05000	0.9
132.33919	0.8
134.02538	0.6
134.40057	0.7
136.04056	97.2
137.04401	2.5
139.07619	0.8
149.50978	0.7
162.01984	59.3
163.02347	1.7
191.14374	0.7
200.01219	45.2
217.07802	2.0
219.03101	1.0
235.08810	5.9
279.07834	9.7
279.12607	5.0
279.15619	1.4
279.19754	2.3
279.23325	9.2
279.96924	4.4
280.07779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.6
69.73654	1.4
71.01389	1.3
71.55752	2.0
72.00401	4.4
72.97533	5.2
73.98323	1.9
83.93172	1.3
85.63007	1.4
87.00890	27.2
90.11475	1.3
90.98607	100.0
96.96039	4.6
117.00188	3.7
120.99680	5.0
129.07463	94.4
130.07748	3.5
135.01259	6.4
142.08113	1.2
145.06958	5.0
147.08519	87.4
148.08803	2.0
148.69560	1.3
160.99210	1.5
173.06447	20.8
179.00237	31.3
180.00502	1.5
191.07504	25.5
194.11853	1.5
217.09039	33.3
235.10034	13.4
261.07993	10.2
279.09070	28.7
279.12161	1.6
279.23254	7.4
280.09409	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	279.1969
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.44485	3.7
59.01382	17.4
59.41074	3.4
64.17210	3.4
71.01375	8.7
71.55807	5.7
96.96037	12.3
101.02469	5.1
106.83892	3.8
107.08673	40.3
171.10283	84.6
185.11946	4.6
190.99850	4.2
217.19633	7.8
219.03006	4.7
233.15355	5.5
235.17062	7.1
261.18597	100.0
262.18997	5.4
279.12482	5.0
279.16400	10.0
279.19681	87.5
279.23276	55.3
280.20026	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01372	1.9
60.02279	0.6
60.33416	0.6
70.05513	3.1
71.01381	1.1
80.26405	0.6
91.01958	0.7
96.96029	9.9
101.02441	0.8
118.54761	0.7
163.00385	0.7
228.69559	0.6
235.10115	2.8
263.52985	0.8
279.16528	14.0
279.23303	100.0
280.16794	1.1
280.23746	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
60.97191	0.3
71.00889	0.9
75.80873	0.4
77.49174	0.3
105.25345	0.4
174.40092	0.3
183.25439	0.4
279.23312	100.0
280.23654	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
65.03987	0.6
69.03448	0.7
69.28593	2.0
69.29007	0.5
71.01396	1.8
72.33800	0.2
72.99298	0.3
73.02957	0.9
83.01401	1.2
85.02959	0.4
86.41259	0.3
87.00899	0.6
93.03468	82.5
94.03802	2.4
96.96074	0.3
101.02458	0.8
107.05027	0.6
113.02463	0.5
114.59147	0.3
119.05026	0.4
121.02954	1.4
135.04552	1.8
137.02458	100.0
138.02774	3.1
145.02890	0.4
149.02451	0.5
151.04037	3.5
161.02496	0.5
163.04047	0.6
169.44019	0.2
179.03496	2.1
191.03523	0.9
209.11885	0.4
210.03650	0.3
224.83926	0.2
227.12918	0.3
266.05853	0.5
281.06622	1.5
281.09839	0.3
281.14105	0.4
281.24915	0.5
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
55.01891	5.1
57.03459	3.0
58.00591	1.7
58.99594	0.8
59.01386	61.0
61.98813	0.9
67.03001	1.4
69.03419	1.1
71.01392	61.9
71.56170	0.9
72.01720	1.3
72.99319	4.7
73.02952	15.3
73.04076	5.6
74.43394	1.0
74.99090	1.8
75.00877	1.1
79.95768	1.3
80.96549	1.4
82.04114	1.2
83.01396	10.6
85.02961	27.4
87.00887	5.5
87.04536	1.9
89.02453	30.3
93.03465	1.1
93.04605	3.2
95.01385	5.1
96.96041	5.1
97.02937	1.3
98.02415	0.9
99.00903	7.1
101.02454	53.2
105.26698	0.8
107.03669	4.7
108.02054	9.1
109.02932	1.4
110.02472	1.1
113.02460	28.3
114.31757	0.9
119.02626	1.6
119.03487	9.4
119.05025	2.2
119.07174	9.6
121.02956	1.1
121.04136	1.3
125.02438	1.4
126.03120	5.0
129.01949	1.9
131.03473	2.0
133.01575	31.3
133.02585	1.8
134.06180	1.0
135.04565	1.1
137.02454	1.4
143.03493	4.2
147.23016	1.1
149.04601	1.1
150.04230	100.0
159.03001	4.7
159.04274	1.0
160.04071	7.8
160.05231	1.4
161.04575	28.3
163.03983	1.2
179.05627	3.2
180.06656	2.0
190.27109	1.1
193.09856	1.5
219.97279	1.0
237.08942	5.2
240.07800	1.0
281.03848	1.3
281.06909	4.5
281.12399	25.6
281.24902	7.2
282.08572	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99602	2.9
59.01386	100.0
60.01703	1.3
69.71243	5.3
70.36256	0.9
71.01405	6.2
72.99313	2.4
74.99097	4.6
80.96532	0.9
81.39700	1.0
85.02955	3.3
86.94632	0.8
87.00872	0.9
89.02459	3.2
93.03474	1.0
96.96021	2.6
101.02455	4.6
113.02447	3.4
119.03477	1.0
135.04514	0.8
135.68268	0.9
136.99126	1.7
137.02472	1.0
145.24089	0.8
150.04225	3.4
159.03036	1.2
159.49782	0.9
160.05336	1.0
161.04568	1.2
162.11169	0.8
164.86029	0.8
175.07623	1.6
193.05043	1.3
205.64348	0.8
221.10271	2.8
263.05688	1.1
269.53812	0.8
281.04080	1.1
281.06946	3.0
281.11035	1.2
281.24899	3.4
282.08633	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	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
54.03958	0.4
66.20972	0.4
70.87044	1.0
82.81508	0.4
87.93874	0.4
104.91362	0.4
176.69481	0.4
178.86275	0.4
214.30000	0.4
265.77859	0.5
281.24878	100.0
282.25189	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	282.0847
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.96754	0.2
58.99622	0.4
59.01385	2.0
66.00998	0.8
69.58257	0.4
69.58664	1.1
71.01383	0.9
80.96917	0.2
82.04102	1.2
85.02969	0.4
89.02466	0.5
94.89535	0.3
98.20745	0.2
101.00964	0.6
101.02490	0.5
102.98614	0.9
103.91000	0.2
107.03640	4.2
108.02050	10.3
113.02510	0.3
117.00441	0.7
126.03110	4.2
130.08734	0.7
130.92570	0.3
133.01576	30.6
134.01924	0.7
139.94165	0.3
150.04225	100.0
151.04640	1.8
160.04044	0.4
181.33717	0.2
189.18945	0.3
201.00896	0.2
201.02655	0.4
282.08472	27.9
283.01596	0.7
283.08667	1.1
283.26422	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54284	0.5
55.01878	0.9
57.03449	0.7
58.99611	25.4
59.01388	10.7
69.68092	2.9
71.01389	11.8
72.99315	0.9
73.02950	3.0
74.99099	0.6
76.18931	0.5
83.01387	1.8
85.02948	4.7
87.00882	11.3
87.01373	0.8
89.02454	5.1
95.01442	1.2
96.96008	1.0
98.19904	0.6
99.00900	1.3
101.02464	5.5
102.98610	100.0
103.98958	1.1
110.56124	0.5
113.02457	4.9
119.03512	1.7
120.99671	0.9
122.30128	0.6
123.04523	0.6
135.04555	0.6
150.03241	10.2
151.03995	1.7
161.04555	6.6
165.05592	9.1
166.06180	0.6
173.02364	0.7
179.05693	0.8
180.04271	2.1
195.06653	16.7
196.06995	0.5
200.83728	0.6
240.43051	0.5
249.06187	5.5
250.82544	0.5
253.07077	0.8
283.04941	16.3
283.07947	0.8
283.26453	47.2
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
55.34904	0.4
55.80316	0.4
59.01377	0.7
70.60007	0.8
70.60362	0.9
71.10752	0.4
101.89191	0.3
104.75031	0.4
107.05040	100.0
108.05385	3.1
121.13123	0.4
131.14297	0.4
149.64442	0.4
163.11308	97.6
164.11638	4.4
169.49168	0.4
178.81584	0.4
201.02446	0.5
268.03683	0.5
283.17062	84.0
283.22852	8.2
283.26453	28.4
284.17383	6.9
284.26550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.062
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.22790	0.4
54.17405	0.4
62.63687	0.4
71.01389	0.8
71.32108	0.5
71.32427	0.5
95.01400	0.4
108.02187	100.0
109.03000	12.9
121.02975	0.7
122.03762	1.5
123.04500	1.0
133.02953	0.9
135.00951	0.6
135.04610	0.5
151.04027	1.5
152.01166	62.5
153.01959	29.9
154.02280	0.8
163.04025	1.2
165.01950	1.0
167.01686	0.4
170.46968	0.4
183.07758	0.7
191.03467	0.4
192.44788	0.4
225.03867	0.5
285.06192	60.2
286.06561	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
52.15004	0.4
69.70128	2.5
78.12488	0.4
81.03481	1.0
108.02187	100.0
109.02999	14.0
110.03354	0.5
120.77812	0.4
121.02947	0.7
123.04491	0.7
133.02965	0.8
151.04012	1.6
152.01169	61.2
153.01959	29.8
154.02292	0.8
163.04044	1.5
165.01938	1.0
168.44774	0.4
285.06180	58.9
286.06528	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	285.0983
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
51.43920	0.5
55.01884	1.2
57.03456	0.7
58.00594	0.7
59.01383	12.5
60.99192	1.2
69.25459	5.1
69.42751	0.6
71.01387	12.7
71.01780	0.8
72.39464	0.5
72.99304	1.0
73.02955	4.1
75.00904	0.8
83.01391	3.4
85.02965	7.4
87.00887	2.7
89.02462	2.5
93.03457	5.4
95.01396	0.8
95.05036	2.2
95.63511	0.5
96.96057	0.7
97.02946	0.5
97.09207	0.5
99.00896	1.7
101.02450	9.8
102.98589	1.4
104.98185	3.5
105.03462	1.2
107.05045	2.1
108.02202	4.1
108.96358	0.6
109.02980	1.3
113.02471	4.2
116.09853	0.6
119.03504	1.0
119.05068	1.3
120.99660	1.1
121.02967	3.2
123.04539	100.0
124.04877	2.8
125.02481	0.8
133.02985	1.7
137.02463	1.7
152.01141	2.2
153.01974	1.5
159.02963	0.9
161.04558	0.6
165.05513	0.7
167.03600	0.8
182.02248	1.9
182.05856	0.8
197.04587	1.8
284.26813	6.0
285.04089	2.7
285.06482	2.5
285.09818	30.5
285.27106	2.7
286.10007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03503	0.7
59.01381	3.4
59.26976	0.6
61.59970	0.7
65.00347	1.0
66.37180	0.7
69.50071	5.5
71.01407	0.7
80.49628	0.7
83.05065	0.7
95.75156	0.7
101.50281	0.6
107.01436	1.9
108.02182	0.7
133.02979	10.3
137.73184	0.8
139.84979	0.8
149.02478	2.1
151.00398	3.9
152.91826	1.4
175.04108	1.0
183.13919	6.2
193.12392	1.4
199.04091	1.2
211.13414	100.0
212.13757	5.3
217.04921	0.8
223.17055	1.0
241.04993	0.9
241.18202	0.7
285.04050	35.0
285.17096	5.4
285.20703	3.4
285.23947	0.9
285.27017	3.7
286.04391	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	285.2076
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03442	0.7
59.01371	0.9
60.57640	0.4
70.68085	0.7
78.95914	0.6
94.06326	0.3
96.95992	0.4
97.14194	0.4
101.17474	0.4
133.02997	0.4
144.26791	0.3
152.91765	1.2
180.51062	0.4
194.92847	0.4
221.19144	0.8
223.20685	62.8
224.21048	3.5
241.21799	1.6
254.18277	0.4
260.66696	0.4
267.19675	36.3
268.19910	2.2
285.04074	1.6
285.20740	100.0
286.21085	7.8
286.24240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.48507	0.3
59.01387	0.8
59.97917	0.3
61.98824	0.6
70.02972	0.8
70.30080	0.3
70.30421	1.1
71.01383	0.3
74.06119	1.6
76.36105	0.3
78.95941	0.3
117.07122	6.7
118.05120	1.0
125.02447	1.0
148.56549	0.3
220.05728	0.3
227.70821	0.3
240.23311	3.6
242.21248	1.6
242.25043	0.4
268.22873	1.3
284.22437	0.4
286.23898	100.0
287.16583	5.1
287.24307	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	287.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98069	3.0
56.97991	3.1
57.29384	2.9
58.99607	13.0
59.01391	8.4
63.53767	3.0
69.03465	4.1
70.02945	2.8
71.54910	5.0
72.99334	4.5
73.02967	3.4
74.67783	2.8
74.99108	48.3
83.34515	2.8
87.00878	3.2
88.04053	8.7
95.83981	2.8
97.02979	6.0
113.02457	3.3
119.05036	14.0
121.02963	14.9
125.02464	100.0
136.99159	40.0
149.06094	3.9
181.03333	5.1
199.04437	5.4
213.40114	3.2
287.08813	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	287.093
Annotation	2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
54.66965	0.2
59.01387	0.7
70.62373	0.7
71.01375	0.8
73.02943	0.2
77.96241	0.2
85.02949	0.3
87.71487	0.2
91.04000	0.3
95.01431	0.3
96.96021	0.3
97.02965	0.4
99.00835	0.2
99.25424	0.2
101.02425	0.3
113.02494	0.5
120.08210	0.3
124.01663	0.5
125.02473	5.0
143.08710	0.3
148.07727	2.5
159.00928	0.3
161.02472	0.8
161.04558	0.2
172.05280	0.4
173.06145	0.4
175.04028	0.8
176.91959	0.3
185.06061	0.7
186.06917	0.5
187.00340	0.4
187.04079	0.7
188.04758	0.5
189.05560	1.6
197.06081	1.7
198.06902	1.0
199.04012	0.5
199.07658	3.9
200.08345	1.3
203.03593	0.3
203.07161	2.0
212.04828	1.1
213.05602	0.9
213.14992	2.0
214.99986	0.3
215.03510	1.1
227.03619	2.6
227.07211	3.3
228.04247	0.3
228.07895	0.9
229.05067	1.0
230.05864	0.5
230.99358	0.5
231.06491	0.4
232.07333	0.4
237.05656	0.4
240.04312	7.8
241.05072	5.1
243.02951	1.0
243.06615	0.7
255.06656	15.5
256.06998	1.1
257.04590	1.1
257.08218	1.1
258.05383	3.0
259.06039	0.3
259.09836	0.7
262.04962	0.5
272.03391	0.6
272.06946	0.7
286.98605	2.1
287.09286	100.0
288.09628	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	287.1506
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03469	1.5
57.09526	0.5
59.01389	100.0
60.48948	0.5
69.10437	0.6
69.26198	6.0
71.01398	1.0
79.74899	0.6
81.03476	0.7
82.73298	0.5
83.98639	0.5
93.39681	0.6
94.95493	0.7
96.53139	0.6
96.53939	0.6
96.96020	1.7
97.06638	0.7
98.20641	1.4
99.04548	2.6
113.02484	0.7
125.02473	2.6
125.09724	1.0
141.55965	0.6
145.17131	0.6
165.12851	1.9
173.04562	0.7
189.12802	0.7
191.98869	1.4
207.01268	1.2
207.13864	3.0
209.11833	12.4
210.12192	0.9
225.15015	6.8
227.12909	58.7
228.13245	2.9
228.66679	0.6
239.12900	0.7
251.12971	5.2
257.13934	0.7
269.13959	16.3
270.14319	1.5
286.98267	2.0
287.15036	80.0
288.15341	5.3
305.58771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1656
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
50.57318	0.8
58.68042	0.8
59.01380	5.2
65.03956	2.4
69.48568	4.4
71.01383	3.2
73.02962	0.9
85.02964	1.9
91.05557	2.3
97.02888	0.8
97.06560	0.8
105.07092	1.2
113.02452	1.1
117.07077	0.8
121.06607	10.7
125.02463	7.7
133.10274	1.0
135.08160	1.2
137.09789	0.8
139.06464	0.7
140.39874	0.9
147.08177	7.9
153.09254	0.9
158.07436	1.5
159.08162	0.8
159.11787	1.0
160.08931	7.8
161.09528	1.1
170.88435	0.8
171.08128	3.8
173.09686	1.1
185.09714	2.2
186.10556	4.3
187.00505	0.9
187.14954	6.2
199.11345	0.9
207.08205	2.0
208.09839	1.2
213.12936	1.2
231.13904	22.5
232.14133	1.5
243.17566	9.6
266.62021	0.9
286.98270	2.1
287.16559	100.0
287.21967	2.7
288.16928	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	287.1656
Annotation	Hynapene B
Peak:m/z	Relative Intensity
55.72882	0.5
57.03439	0.6
59.01387	6.3
64.89810	0.6
64.91547	0.5
70.85823	1.4
71.01376	2.1
73.71111	0.6
80.02668	0.9
81.03461	1.8
83.05020	2.1
85.02946	0.9
93.03448	0.6
93.07097	0.7
95.05031	5.2
98.20686	0.5
100.86783	0.6
101.02437	1.0
106.04241	1.7
107.05007	2.8
109.06603	10.0
110.95018	0.6
111.08184	1.3
113.02502	0.6
117.07090	0.6
119.05043	0.6
119.08649	0.8
120.85242	0.6
121.06620	2.7
121.10228	2.0
123.08169	5.6
125.02458	4.1
127.07639	0.8
129.40179	0.6
132.05815	0.6
133.10202	0.9
135.08195	3.4
135.11775	0.6
137.09714	0.9
145.06616	1.0
147.08162	5.7
149.09734	4.3
159.08109	1.2
160.08911	0.7
161.09723	2.5
171.08098	1.1
173.09660	1.4
175.11275	2.3
177.09291	0.7
185.09660	1.1
186.10471	1.6
187.11224	1.2
189.12872	7.1
193.03036	0.6
201.16475	0.6
214.13649	0.6
215.14439	1.4
219.13768	0.9
227.14400	0.8
231.14005	0.7
241.15924	0.7
243.10008	1.4
243.17537	29.7
244.17845	2.1
245.15668	0.7
259.13284	1.1
269.15457	2.5
275.69775	0.6
286.98401	1.1
287.12894	6.0
287.16534	100.0
288.16904	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	287.1655
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
59.01369	4.3
68.99809	1.3
71.01382	4.8
73.02943	1.5
78.95882	1.1
80.02692	1.4
85.02952	2.1
96.95992	2.3
97.02946	2.2
97.06620	2.2
98.20650	3.0
101.02427	1.6
102.04781	2.6
113.02488	1.8
115.05529	4.7
117.07119	100.0
118.07442	4.2
121.06602	1.6
123.08157	1.1
125.02462	16.2
125.09734	11.9
147.08192	1.2
148.88535	1.3
160.08998	1.3
170.26047	1.3
225.16470	1.8
230.99388	1.8
231.13936	2.9
243.17569	3.3
269.15408	1.8
286.98367	4.2
287.07904	2.5
287.16556	81.0
287.21936	3.1
288.16953	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
57.21167	0.3
57.24076	0.2
58.72745	0.3
59.01385	0.8
65.85242	0.2
69.73342	0.8
69.73756	0.7
71.01406	0.3
78.98543	0.3
81.03471	2.0
91.42968	0.3
91.94854	0.3
92.05066	1.4
93.03471	2.4
104.30325	0.3
107.03780	0.6
108.02183	0.6
108.04567	5.6
109.02963	6.4
124.01710	0.3
134.02495	38.6
135.03299	10.4
136.04059	41.1
137.02444	1.7
137.04439	1.4
148.04051	1.0
149.04848	1.0
168.17607	0.3
176.03548	5.5
177.04320	0.7
180.25526	0.3
181.03819	0.3
190.05112	0.6
204.06639	0.5
288.16074	100.0
289.16257	8.0
297.04169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.8
65.03963	0.5
69.21635	4.7
69.21950	0.5
71.01419	0.6
75.22808	0.4
87.77605	0.4
88.11263	0.4
89.00359	0.5
92.99809	0.4
96.96032	0.6
106.33512	0.4
109.68830	0.4
119.08665	2.6
125.09719	0.5
131.05093	0.8
135.37439	0.4
145.06607	1.8
147.08188	0.8
148.00362	0.4
160.08949	12.2
160.98886	0.9
163.63698	0.4
165.02118	0.4
166.06293	0.5
188.98257	0.4
189.16519	1.4
209.06058	0.5
215.14458	0.5
216.97835	0.8
227.18188	0.4
233.15488	65.5
234.15831	3.7
244.97318	0.4
245.08273	0.4
245.19113	2.0
265.79807	0.5
271.17014	1.4
288.96323	0.6
289.18121	100.0
290.18463	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	289.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
57.65202	0.8
59.01381	2.7
65.03948	1.2
69.78885	2.9
69.79310	3.0
71.01389	1.2
97.06574	2.3
98.20651	1.1
106.04240	1.2
109.06580	1.7
119.08681	76.8
120.09029	2.6
125.09733	14.6
159.08286	0.9
160.08965	3.4
160.98820	1.1
216.97806	1.5
233.15497	14.4
233.78705	0.9
234.15892	1.1
245.19148	4.7
271.17090	2.1
288.96255	1.1
289.18127	100.0
290.18460	7.7
307.94168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22475	0.5
55.01878	2.3
57.03455	13.9
58.03778	0.8
59.01384	8.6
66.56805	0.6
68.99821	1.0
69.37750	1.7
69.38182	3.4
71.01383	6.1
72.99313	2.4
73.02934	0.8
75.00876	1.9
78.95916	4.9
83.01385	3.0
84.02184	2.0
85.02959	100.0
86.03293	1.6
87.00876	1.5
89.02466	1.3
98.20654	1.2
99.04525	5.4
101.02451	2.1
103.00404	2.8
104.38596	0.6
109.02994	0.7
110.98537	5.7
111.00889	5.0
114.40090	0.7
115.00391	1.0
120.99649	4.2
129.01949	10.3
129.05595	1.1
135.04536	1.5
136.78020	0.6
144.45412	0.7
147.03009	10.3
170.69365	0.6
173.00929	1.8
191.01996	16.6
191.03467	0.6
229.05278	1.0
247.02617	1.0
260.81403	0.7
291.07251	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	291.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41398	0.6
57.03457	1.1
59.01385	100.0
60.01719	1.0
61.78907	0.6
63.16392	0.6
63.62988	0.7
70.32097	0.6
71.01392	6.1
72.99412	0.7
73.02963	2.4
79.95724	0.8
83.01414	1.7
85.02957	4.2
95.01363	0.7
96.96044	0.8
99.00915	1.0
101.02473	7.8
104.78973	0.7
109.43639	0.7
113.02470	2.5
119.21970	0.7
147.04538	0.8
161.04614	2.6
177.01962	1.2
187.07669	0.7
203.10931	1.1
219.06645	1.2
247.02565	1.3
247.09892	0.8
249.13469	8.4
291.09213	1.1
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
57.03446	1.4
59.01397	3.2
70.60047	0.8
70.60377	1.3
71.05025	15.6
83.05006	0.8
97.06602	4.8
105.80781	0.6
109.06675	0.7
111.08161	5.1
121.10247	1.7
125.09766	0.8
137.51770	0.6
167.10815	0.9
177.12825	1.5
181.12369	1.8
185.11844	1.3
195.13910	3.2
207.13937	0.8
219.13829	2.0
235.17078	2.8
247.20683	2.6
273.18683	2.4
291.19684	100.0
292.20010	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.81731	0.3
69.32510	0.7
69.32919	2.0
71.01376	0.4
77.62522	0.3
79.72603	0.3
80.02687	0.4
86.73357	0.3
97.06604	0.5
98.19880	0.7
109.06571	0.3
111.18856	0.3
125.06128	0.4
144.12280	0.4
147.08286	0.3
148.08960	1.5
150.10503	1.1
151.11234	0.5
163.11317	0.8
165.12863	18.1
166.13252	1.0
175.11223	0.5
176.12042	0.8
177.12872	0.6
179.14455	0.5
191.14493	0.7
217.16055	0.8
245.18933	0.5
247.20685	8.8
248.20882	0.8
267.73462	0.3
273.18622	6.2
274.18912	0.6
289.59061	0.4
291.19690	100.0
292.20023	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95436	0.5
57.03441	2.3
68.52152	0.5
69.97196	2.3
74.50703	0.5
85.03166	0.5
86.68843	0.5
93.07110	1.8
94.36040	0.5
97.06612	1.9
98.20135	1.1
121.09377	0.7
121.10255	14.4
122.10568	0.6
123.08179	1.7
125.09734	8.2
139.11183	0.7
141.12889	1.2
147.08125	0.8
156.96725	0.6
171.10413	0.5
185.11839	17.1
185.13489	1.1
186.12192	0.9
197.11832	4.4
201.81189	0.6
209.11815	2.1
211.13434	2.6
223.13457	0.9
247.13483	0.9
247.20717	0.7
268.27951	0.6
271.00836	0.5
273.18634	1.5
291.19681	100.0
292.20038	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.19375	0.4
52.21625	0.4
53.91092	0.4
58.74083	0.5
59.01366	0.5
62.28438	0.4
70.32934	1.6
73.02953	53.5
74.03284	1.1
79.95761	0.6
121.02925	0.6
173.73619	0.4
203.03502	0.6
240.31926	0.5
247.00388	0.4
247.02341	2.0
275.57932	0.5
291.19684	100.0
292.20020	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0671
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
54.63528	0.7
57.03457	7.2
59.01356	0.7
60.31146	0.5
63.02410	0.9
63.86614	0.6
65.00345	0.9
65.58424	0.6
69.66415	3.4
69.66810	1.5
71.01395	3.3
72.99333	0.6
78.05699	0.5
81.03474	1.8
83.01386	3.6
85.02978	1.6
87.00890	1.1
93.03446	0.5
95.01425	0.8
95.05048	1.2
101.02393	0.7
106.25949	0.6
107.01404	2.9
121.06618	1.6
123.04562	2.7
125.02461	100.0
126.02764	1.8
135.04561	0.7
145.06627	0.6
147.03415	0.8
147.04524	5.2
149.02499	3.5
151.00397	6.7
159.04482	0.7
161.09662	0.6
163.07651	1.6
164.07240	0.7
165.05629	1.0
167.03561	1.2
177.09096	0.8
190.02739	6.3
191.03537	49.3
192.03865	1.4
203.03526	46.6
204.03879	2.5
205.05052	0.8
213.05614	1.2
229.05130	0.9
231.06682	7.1
232.06813	0.7
247.06122	20.4
248.06377	1.0
249.07729	3.0
250.08005	0.7
257.04565	1.4
275.05670	8.7
276.06018	1.0
293.06702	75.7
294.06985	5.0
311.07870	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	293.0671
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
57.03455	7.1
59.01379	2.6
59.55079	0.5
59.55384	0.5
61.80783	0.6
65.00322	2.8
67.01875	0.6
68.99798	0.6
69.32941	5.0
71.01399	4.6
72.99312	1.3
80.96530	9.1
81.03469	2.1
83.01394	3.3
85.02942	0.6
87.00887	1.3
89.02452	1.2
95.01396	1.5
95.05033	1.6
96.96018	1.1
97.06615	1.5
98.20653	1.3
103.05515	0.6
105.03483	1.2
107.01409	2.7
107.05024	0.7
109.02989	1.2
119.05079	1.0
121.02951	0.9
121.06609	2.3
123.04529	3.4
125.02462	100.0
126.02788	2.8
133.02997	0.9
134.03761	11.4
135.04608	3.2
137.02438	1.2
147.04489	4.5
148.98871	1.0
149.02451	4.6
151.00398	7.7
151.04059	0.9
161.02429	0.8
163.07663	2.2
165.05638	1.1
167.03441	1.1
177.02025	1.4
178.02698	2.3
179.03462	1.4
187.07678	1.1
190.02760	5.5
191.03520	53.6
192.03903	3.0
193.01505	0.9
193.04993	0.8
203.03522	47.0
204.03908	2.8
205.08594	0.6
211.13377	4.4
213.05594	1.3
229.05026	1.4
231.06616	6.2
231.10210	0.6
247.06129	19.4
247.13361	0.8
248.06439	1.1
249.07686	3.6
257.04678	1.6
275.05649	9.3
275.08707	1.0
293.06726	84.7
293.10306	6.8
293.13840	2.1
294.07013	5.2
304.66864	0.6
311.07800	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	293.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03443	4.7
58.00603	4.0
59.01384	75.9
62.57686	1.5
63.42021	1.4
63.53650	1.8
64.36163	1.7
65.00316	2.2
65.87859	1.5
67.01884	1.4
68.99828	2.3
69.03472	10.0
71.01390	100.0
71.56796	2.1
72.01729	1.9
72.99300	4.6
73.02950	9.6
81.03461	4.8
83.01401	10.6
83.05021	5.2
85.02966	17.7
87.00887	5.8
89.02452	83.2
95.01382	5.4
96.96004	6.4
97.02965	11.1
97.06577	6.0
99.00872	3.7
101.02453	16.0
107.01396	2.7
111.00878	2.4
113.02438	10.3
119.05038	7.9
120.05392	1.5
120.99688	4.0
125.02463	71.8
126.02779	2.2
131.03575	9.1
133.02972	6.4
134.03758	97.5
135.04561	31.8
137.02473	3.6
139.03975	2.0
143.03529	4.5
147.04515	2.8
149.02400	2.5
149.04544	6.8
149.06013	1.6
149.09756	1.7
151.00369	6.1
177.01912	11.2
178.02727	28.0
179.03458	8.5
190.02672	4.4
191.03529	31.9
191.05327	2.9
201.40977	1.5
203.03516	23.0
231.06622	4.3
231.10210	4.7
233.06612	2.6
247.05963	9.6
249.09325	3.8
275.05600	6.8
275.09244	5.7
293.06741	37.5
293.10336	27.9
293.13934	5.2
293.17490	1.9
293.21155	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	293.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44347	0.5
52.55265	0.5
59.01387	15.2
61.98825	0.7
65.00311	1.4
68.65565	0.5
68.99842	0.8
69.03468	0.7
71.01398	1.1
71.05025	0.6
71.58058	0.6
73.02970	0.9
85.02936	0.6
89.02425	0.8
95.01392	0.9
96.85792	0.5
96.96028	5.8
97.55192	0.5
133.02898	0.7
145.12379	0.7
147.79546	0.5
148.98785	0.6
152.91783	0.8
155.07152	0.5
165.12868	1.2
167.14415	1.5
176.98351	0.8
183.13922	8.4
193.12418	2.4
211.13414	100.0
212.13748	4.8
221.15442	1.3
232.87479	0.7
233.11613	14.6
234.12025	0.8
236.10654	0.9
264.96222	1.1
275.16547	0.6
293.08911	0.7
293.14069	7.9
293.17612	2.0
293.20917	4.4
294.14322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99263	0.4
53.31265	0.4
56.58932	0.4
70.60134	1.3
71.01387	8.7
78.85847	0.4
86.84632	0.4
121.12010	0.4
127.07713	0.5
148.05341	0.6
151.07672	0.7
157.99274	0.4
164.08458	1.5
177.09232	5.0
192.11572	6.8
205.12321	7.0
207.13887	1.2
217.08864	0.6
218.09563	2.0
220.14700	49.6
221.15477	100.0
222.15787	6.0
235.13358	0.9
236.10551	73.8
237.10912	5.0
293.17596	7.8
293.20667	0.8
300.88522	0.4
308.96970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07974	0.3
57.03442	2.2
59.01386	1.9
61.98810	0.3
68.99847	0.3
69.74569	1.6
71.01383	1.5
71.05018	0.6
79.95747	1.1
83.05050	0.4
83.18732	0.3
95.05032	0.4
96.96005	0.6
97.06574	0.8
98.20656	0.3
109.78924	0.3
111.08207	0.4
113.09740	6.2
121.10228	0.7
125.09741	0.6
136.08936	3.1
137.09717	0.4
139.11314	0.8
140.39407	0.3
141.09212	0.4
141.12885	0.4
149.09709	0.4
152.91792	0.4
163.11293	1.2
165.12775	0.4
167.10780	1.0
167.14388	0.3
171.10234	0.8
177.09189	0.7
177.12889	0.5
179.10802	0.3
179.14450	0.5
185.11798	0.8
192.11600	2.5
193.14296	0.5
193.15994	6.3
194.92805	0.4
195.13919	7.4
196.14540	0.4
205.12337	1.2
211.13402	0.8
220.14713	4.3
221.15471	9.0
222.15913	0.7
223.13431	4.4
224.14081	0.3
225.18529	0.9
228.13763	0.6
231.21216	0.6
232.87547	0.4
235.17015	1.2
236.06509	0.3
236.10579	6.1
237.10870	0.4
249.18584	2.1
249.22229	1.6
250.88568	0.3
256.13284	1.4
265.21771	1.0
275.20157	6.6
293.17627	8.3
293.21222	100.0
294.18155	0.6
294.21558	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04989	0.3
57.03455	0.7
59.01388	2.1
60.77144	0.3
61.98822	0.7
69.03461	0.4
70.86201	0.3
70.86517	0.6
71.01398	1.5
78.95905	0.7
79.95731	1.1
83.99752	0.3
89.02444	0.3
95.05077	0.3
96.96060	1.6
97.06612	0.6
109.01495	0.4
111.08183	0.6
113.09723	1.1
121.10233	0.4
127.87882	0.3
136.08926	0.8
136.72569	0.3
139.11284	0.3
151.11317	0.4
152.91776	0.7
153.09073	0.3
167.10652	0.6
171.10342	1.0
177.09273	1.1
177.16542	0.4
179.14406	1.1
192.11606	1.8
193.15996	1.9
195.13924	11.8
196.14427	0.8
200.84634	0.3
205.12291	1.3
205.15977	0.6
211.13449	1.2
220.14699	4.0
221.15495	8.5
222.15814	0.5
223.13391	9.2
224.14011	0.6
228.13644	1.2
231.21155	0.6
232.87450	0.9
236.10570	6.2
237.10956	0.4
249.18559	1.2
249.22290	0.6
250.88585	0.3
256.13208	2.8
264.96146	0.4
265.21695	0.6
275.20203	7.7
276.20627	0.5
293.21243	100.0
294.18185	0.7
294.21548	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15106	0.5
57.03452	1.1
57.83982	0.5
59.01386	2.6
63.95264	0.5
69.03455	0.7
70.79407	1.2
70.79753	0.8
71.01395	1.8
71.05019	0.8
73.87433	0.5
96.96040	1.0
112.95113	0.6
123.08183	1.4
136.08949	0.6
139.11272	1.2
151.11327	2.5
153.09148	0.7
153.12946	0.8
167.14442	0.6
169.12337	2.2
171.10345	0.8
176.98236	0.6
177.12898	0.6
185.22066	0.5
192.11594	0.9
193.15981	1.6
195.17509	0.6
197.11855	33.9
198.12105	0.9
205.12216	0.6
220.14667	3.4
221.15489	6.3
222.18643	1.2
231.21204	1.0
236.10612	4.6
249.18669	1.2
249.22287	1.1
250.21866	1.5
275.20166	17.1
276.20499	1.7
293.21255	100.0
294.21515	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55629	1.0
60.82048	1.1
69.29134	8.7
69.29545	2.7
82.84866	1.1
98.00036	1.0
118.19984	1.4
121.10249	37.1
122.10640	1.3
127.61561	1.2
171.10281	65.3
172.10649	2.9
183.13924	1.9
185.11832	2.4
200.49837	1.3
231.21156	4.2
232.21315	1.3
275.20178	100.0
276.20535	8.5
293.21249	72.8
294.21667	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67937	0.6
54.34869	0.6
57.03461	6.0
59.01383	2.7
59.67694	0.7
64.27641	0.7
73.86336	0.7
84.18996	0.7
90.25287	0.7
92.89497	0.6
97.06599	0.7
105.90851	0.8
110.42852	0.7
113.09746	20.2
114.76637	0.7
121.10210	1.2
139.11296	2.0
149.09683	0.6
149.90314	0.7
167.10754	1.5
171.10260	4.1
177.12823	1.0
179.10785	2.1
185.11824	0.9
195.13971	3.1
229.08047	0.7
249.22168	2.3
264.71841	0.7
275.20197	5.1
293.21265	100.0
294.21561	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	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
66.96561	0.4
69.23518	1.4
69.23946	2.8
80.21574	0.5
87.88705	0.4
94.13754	0.4
97.06625	0.5
114.17643	0.5
123.08162	0.5
125.09740	4.3
141.12833	0.7
142.95724	0.4
149.09746	1.8
185.11841	8.9
187.92561	0.4
197.11856	2.7
216.66307	0.5
249.22235	0.5
293.21268	100.0
294.21634	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.7
59.10049	0.6
69.96382	2.7
69.96752	1.4
90.94743	0.8
98.20617	1.4
113.09738	0.9
121.10239	1.1
167.10812	0.9
171.10294	0.8
179.14445	1.2
195.13913	13.9
196.14592	2.2
205.12349	1.1
223.13409	12.0
228.13673	2.0
256.13177	4.9
275.20175	8.9
276.20432	1.1
291.84549	0.8
293.21255	100.0
294.21643	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01381	4.3
60.59710	0.8
60.87096	0.7
69.36481	7.0
70.56821	0.8
71.05026	5.6
97.06592	1.1
109.06599	1.0
148.64287	0.9
169.76942	0.8
191.18050	0.8
205.15874	1.1
209.15474	2.9
221.15451	3.2
223.17084	6.5
231.21214	3.5
235.17050	46.2
236.10641	1.0
236.17418	3.1
251.94205	1.1
275.20169	48.0
276.20584	4.1
293.08838	4.7
293.21262	100.0
294.21585	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	293.2124
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
57.03454	5.0
59.01382	2.7
61.98804	0.3
71.01383	1.4
71.27287	0.5
71.27634	0.5
85.06629	0.3
96.96015	0.6
97.06590	0.9
109.06581	0.8
113.09739	19.5
114.10063	0.6
114.31957	0.4
121.10248	1.3
128.77313	0.3
135.11844	0.4
139.11298	1.9
149.09677	0.8
152.91800	0.5
158.20171	0.4
165.12802	0.4
167.10753	2.0
171.10306	3.2
177.12865	1.2
179.10818	2.0
192.11623	0.8
195.13908	3.4
205.12352	0.9
220.14697	3.8
221.15483	9.3
223.13318	0.5
236.10583	6.8
237.10980	0.4
249.22298	2.5
250.23033	0.4
271.73328	0.3
275.20151	4.8
293.21243	100.0
294.21579	7.8
311.96661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.249
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
57.03031	0.7
59.01382	1.2
65.00322	1.0
67.77620	0.9
71.01378	1.1
96.96020	26.6
116.90305	0.9
120.87131	0.6
156.97784	1.0
165.99440	0.8
192.11613	1.2
193.16025	0.7
204.77934	0.8
205.01404	1.0
205.12354	0.9
220.14751	5.4
221.15457	10.8
236.10567	9.3
293.18018	17.1
293.24869	100.0
294.18164	1.8
294.25214	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	294.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14212	0.2
57.45285	0.2
59.01375	0.7
62.97264	0.2
71.01368	0.3
79.95751	4.1
95.95245	100.0
96.95150	0.2
96.96028	1.6
97.04281	0.2
101.02442	0.2
116.95202	0.2
134.17676	0.2
146.05809	0.2
205.05347	0.4
247.06599	1.0
252.06755	1.4
294.06586	5.4
295.06754	0.4
295.10901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03450	2.3
57.86998	1.0
58.00595	4.0
59.01387	96.1
66.48917	0.9
66.65992	0.9
69.03426	1.2
71.01394	52.7
71.56667	1.0
72.99326	6.0
73.02951	3.8
74.99093	1.0
75.00881	1.8
80.96509	1.0
83.01392	3.6
85.02966	14.3
87.00890	4.3
89.02454	60.5
90.02787	1.0
91.01865	0.9
95.01402	4.5
95.51707	1.0
96.96017	3.1
99.00907	3.2
101.02459	39.7
102.02787	1.0
110.02541	0.9
113.02471	22.7
115.00387	5.9
115.04018	1.8
117.05585	2.7
119.03524	25.1
121.02927	1.2
129.01944	2.7
131.03491	1.8
133.01418	6.1
133.05058	2.7
133.08762	1.0
135.04532	1.4
136.99104	1.0
143.03516	2.7
149.04562	2.6
161.04584	8.0
161.07201	1.2
163.04059	2.8
175.06050	1.0
179.03508	1.4
179.05692	3.5
227.90602	1.0
295.04980	3.1
295.10406	100.0
296.10788	6.0
318.71088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00971	0.8
55.12778	1.2
57.03445	1.0
59.01387	100.0
60.01769	1.0
61.77485	0.8
67.12539	0.9
69.48261	0.9
70.28458	1.7
70.28857	1.5
71.01389	2.9
73.01199	1.0
73.02955	1.7
80.70552	0.9
83.01415	0.9
83.11111	0.9
85.02949	2.9
89.02469	1.1
93.03454	1.5
96.96040	1.9
101.02454	2.9
102.16833	0.9
113.02463	1.0
121.02955	3.5
133.01489	1.0
152.10121	1.2
161.04558	1.3
161.06007	1.4
163.03986	1.0
163.72787	0.9
189.12866	0.9
207.10614	2.6
235.06020	1.0
235.11850	2.6
262.87149	1.2
295.12497	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	295.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49474	0.5
59.01387	21.0
67.47841	0.5
69.49579	3.3
70.88157	0.5
71.01370	1.1
89.87979	0.5
91.01908	0.6
96.15198	0.5
96.96023	5.3
98.80681	0.5
101.02430	0.5
119.01343	0.6
135.00858	0.7
161.04494	0.6
181.12383	0.5
183.13908	17.0
183.74028	0.5
184.14194	0.7
195.13927	15.0
196.14191	0.7
211.13304	0.6
213.14980	100.0
214.15347	6.1
223.13145	1.5
235.13240	2.7
237.11154	0.6
265.13052	0.9
267.12131	1.7
279.12213	1.9
295.02438	0.5
295.15472	8.2
295.22513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.40633	0.7
59.01379	5.4
59.55679	0.7
63.24721	0.7
67.34763	0.7
69.03444	0.9
69.23643	5.7
69.24052	1.6
71.01382	1.8
91.01889	1.0
96.96020	1.0
99.08154	1.1
101.02450	0.9
105.74647	0.8
116.82261	0.8
125.09695	2.0
135.00914	1.1
149.76579	0.7
171.10286	30.5
172.10597	1.4
190.10101	0.8
195.13890	3.5
203.07414	1.0
238.30193	0.8
277.18106	11.2
277.21695	40.7
278.18811	1.4
278.22028	3.9
279.09192	1.7
295.19159	14.2
295.22736	100.0
296.12888	2.2
296.19690	2.0
296.23102	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	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03450	0.7
59.01384	2.1
69.32637	4.8
70.71124	0.5
72.82715	0.5
113.09752	3.7
134.57784	0.6
170.29958	0.6
179.14392	1.2
181.12389	0.7
194.39398	0.7
195.13933	22.0
196.14319	0.8
208.31511	0.5
210.63538	0.6
213.42761	0.6
231.16785	0.6
277.21747	20.2
278.22137	2.2
278.31976	0.6
292.52789	0.7
293.01218	0.5
295.22806	100.0
296.23166	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03461	1.2
59.01385	1.4
60.89773	0.8
61.62282	0.7
69.77146	3.1
70.22374	0.6
85.11253	0.7
98.19907	1.3
125.09729	1.0
127.11315	0.8
141.12848	1.8
157.06424	0.7
171.10283	40.3
172.10585	1.6
225.15308	0.7
237.32710	0.8
252.80226	0.8
277.21738	51.4
278.22055	4.0
295.22803	100.0
296.23111	7.9
318.38901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60365	0.6
55.74223	0.6
57.03450	0.9
59.01387	3.5
61.97228	0.6
62.79145	0.7
69.51552	3.3
82.21021	0.7
83.61336	0.6
89.01829	0.7
91.66421	0.7
93.03419	0.6
95.49809	0.6
97.06523	0.6
98.19926	1.3
113.09734	3.0
156.30798	0.7
179.14401	1.5
183.13916	3.6
195.13914	25.8
196.14294	1.3
277.21719	21.6
278.22125	2.3
295.22803	100.0
296.23087	9.3
297.48248	0.7
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	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01370	3.0
70.88531	2.4
99.08168	1.9
127.11268	1.2
148.57727	1.0
155.14418	1.8
171.10298	42.9
172.10637	2.6
183.10173	1.6
221.14166	1.0
251.23740	1.6
264.56345	1.1
277.21747	59.1
278.22083	4.9
293.21146	1.2
295.22806	100.0
296.23135	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	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03455	0.9
59.01383	6.8
71.01406	1.2
89.02472	0.7
98.19924	2.2
108.25218	0.6
121.10220	1.0
122.10611	0.9
141.12863	1.3
169.12399	2.6
171.10358	1.2
172.10710	1.3
173.10869	1.4
195.13998	0.7
196.14301	1.4
197.11864	1.2
197.14493	1.3
224.13693	0.8
225.14020	2.9
235.08366	0.8
251.23811	0.8
253.09088	0.8
258.13824	0.8
275.20221	0.8
277.21484	9.2
278.22186	0.9
295.22708	100.0
296.23105	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	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.17828	0.2
57.03435	1.1
59.01387	3.9
60.20315	0.2
60.58237	0.2
71.01388	0.9
71.56549	0.4
78.95896	0.4
83.05032	0.6
85.02973	0.4
96.81796	0.2
96.96013	0.3
97.06605	0.6
99.08133	0.3
101.02425	0.5
109.78287	0.3
113.09744	3.2
125.02526	0.3
133.00832	0.2
135.00854	0.6
148.75206	0.2
161.04613	0.3
169.12332	0.3
177.12959	0.4
178.74095	0.3
179.14413	1.6
181.12367	0.9
182.33868	0.3
195.13921	18.7
196.14243	0.7
235.08168	0.3
237.11153	0.3
251.16608	0.3
251.23647	0.3
263.41220	0.2
277.21738	18.5
278.22052	1.4
293.21173	0.2
295.22797	100.0
296.23148	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03447	1.0
59.01384	5.6
71.01390	1.0
71.56230	0.5
78.29773	0.5
78.95908	0.7
83.05030	0.7
85.02958	0.5
96.96060	0.6
97.06564	0.6
99.08195	0.5
113.09750	2.8
121.10178	0.5
135.00923	0.7
161.04593	0.5
163.00383	0.6
171.10263	4.5
177.12894	0.7
179.14397	1.0
188.31287	0.4
195.13914	17.5
196.14268	0.9
213.15112	0.4
235.17111	0.5
236.17395	0.9
237.17694	2.4
251.20251	0.4
259.20566	0.5
264.86591	0.3
275.20050	0.5
277.18170	1.4
277.21729	21.3
278.22043	1.7
295.22787	100.0
296.23148	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	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03447	1.1
57.82260	0.3
59.01382	2.1
69.59222	1.1
69.59641	1.4
95.01404	0.4
101.02464	0.7
116.67873	0.3
127.50378	0.4
131.97870	0.4
183.01236	3.4
189.06873	0.4
235.91083	0.4
237.22362	1.2
249.07504	0.4
253.25348	1.1
282.05222	0.9
297.07632	0.8
297.15393	6.4
297.24368	100.0
298.24716	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	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01392	0.9
71.20033	0.7
122.75734	0.4
125.09729	0.6
127.11258	0.7
137.74741	0.4
141.12877	0.4
155.10823	3.0
171.10303	5.0
182.61960	0.4
183.01259	0.5
192.08289	0.4
219.93907	0.5
232.30235	0.4
253.25414	0.8
279.23318	7.9
280.23511	0.5
295.22836	0.7
297.15341	1.5
297.24371	100.0
298.24725	10.4
303.72348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01392	3.2
71.01368	0.6
71.17812	0.7
81.99485	0.5
101.02422	0.7
113.02510	0.4
141.12863	1.3
143.09698	0.4
155.10785	11.1
163.03864	0.5
171.10301	1.0
177.75467	0.5
183.01239	4.6
184.01991	0.6
237.09877	0.5
279.23328	11.1
280.23578	1.1
281.34027	0.5
282.05356	0.7
295.22778	0.6
297.15375	8.7
297.24384	100.0
298.15591	0.8
298.24759	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	297.2803
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
51.91234	0.6
53.00181	0.6
59.01380	0.9
69.95229	1.2
69.95637	2.8
79.73564	0.6
183.01222	6.5
184.01964	0.7
297.15295	14.7
297.28006	100.0
298.28360	8.8
303.87790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98043	16.3
59.01384	10.2
71.01396	9.9
71.55720	2.3
73.02948	2.2
73.98350	2.8
74.99107	100.0
78.95911	11.7
85.02966	7.5
87.00896	10.1
87.37280	1.3
89.02454	5.6
93.03471	36.1
95.01393	1.7
96.96976	2.7
99.00896	1.9
101.02445	3.3
104.03484	1.4
105.51426	1.5
108.02217	2.2
113.02470	10.2
117.76104	1.3
118.98083	6.9
119.03543	2.1
119.04987	1.7
120.99656	1.5
123.03294	3.8
124.36840	1.3
135.04523	4.8
137.02467	55.7
137.03523	2.9
138.05629	33.1
140.48759	1.4
148.10449	1.4
148.29930	1.6
153.01860	1.8
153.82315	1.3
179.03514	6.7
180.06726	1.5
195.04922	1.7
217.00214	1.7
237.04388	24.7
281.03482	3.6
284.03247	6.4
299.04541	5.7
299.07739	4.1
300.05151	3.3
300.10855	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	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01434	0.4
62.73630	0.2
63.02406	2.2
65.00388	1.0
69.19080	0.5
69.19498	1.0
75.60818	0.1
80.35638	0.2
83.01412	1.5
89.64225	0.2
107.01402	4.3
109.03057	0.2
109.94702	0.2
121.49885	0.1
123.00936	0.3
125.02481	0.2
130.83459	0.1
132.01346	0.1
132.02257	0.5
133.02946	1.2
134.03735	2.0
135.00943	0.2
137.02565	0.2
138.05661	0.3
148.01712	0.8
149.02493	0.2
149.99683	0.6
151.00395	5.0
151.01555	0.3
152.00925	0.2
155.05026	0.2
157.08871	0.1
161.02545	0.4
162.03317	0.3
169.01433	0.4
171.04565	0.2
172.05344	0.3
174.03273	0.3
177.01912	0.2
182.03854	0.2
183.04527	0.9
184.05287	0.3
185.02443	0.2
187.03960	0.7
188.04820	0.6
195.04590	0.3
199.04054	0.9
200.04749	0.8
201.01862	0.3
207.10287	0.2
211.04025	1.3
212.04776	0.5
213.01912	0.2
215.03481	0.2
216.04285	0.3
225.11322	0.5
227.03528	3.5
228.04231	0.5
239.03513	0.6
240.04109	0.2
243.03038	0.2
255.02968	2.1
256.03781	10.8
257.04156	0.5
271.02527	4.2
272.02731	0.4
277.17383	0.2
283.02576	1.3
284.03278	100.0
285.03610	6.5
299.05603	71.5
300.02460	0.3
300.05942	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	299.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47990	0.4
57.03470	1.0
59.01382	2.8
70.87449	0.7
98.05260	0.4
104.94401	0.4
138.05649	1.0
147.45488	0.4
174.99275	0.8
185.00809	0.6
204.28534	0.4
209.19243	0.4
217.00261	2.3
235.20702	1.1
237.22263	69.1
238.22586	5.6
255.23326	1.2
281.21243	33.8
282.21594	2.5
284.03391	1.1
299.05383	1.0
299.22308	100.0
300.22684	8.3
305.65421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.01888	0.5
58.61079	0.4
59.25122	0.4
71.19072	0.6
71.19384	0.4
72.99346	0.4
84.02155	0.4
118.00376	0.4
225.22342	0.8
249.22209	1.3
251.23819	4.8
253.25381	57.8
254.25777	3.8
271.02383	0.5
281.24884	1.4
284.03326	0.5
297.24213	0.4
298.98471	0.4
299.01877	0.9
299.25925	100.0
300.26245	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	299.2596
Annotation	(S)-2-Hydroxystearate
Peak:m/z	Relative Intensity
52.08253	1.4
59.01388	100.0
65.40334	1.4
66.48815	1.3
70.88638	3.2
75.00861	1.6
83.82101	1.3
87.59303	1.4
107.43324	1.4
109.43932	1.4
124.68159	1.1
128.22871	1.3
138.05623	4.4
145.02876	1.2
153.75211	1.3
163.06859	1.3
225.22267	3.2
251.23880	2.7
251.94398	1.6
253.22693	2.5
253.25362	32.7
254.25761	2.0
270.98901	2.6
271.02512	2.0
271.22812	3.1
279.24655	1.3
279.28021	1.5
284.03256	3.2
298.98590	2.0
299.01987	3.9
299.05618	3.3
299.25940	96.7
300.26306	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	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01385	4.6
66.97950	0.4
70.11247	0.7
70.11642	1.2
76.32394	0.4
76.64227	0.4
82.57684	0.3
84.27042	0.3
109.02965	0.5
138.05693	1.7
145.02951	0.5
168.17978	0.4
174.99217	0.9
217.00333	3.9
251.23787	0.5
253.25380	3.8
254.25635	0.5
281.24808	1.5
284.03226	2.3
297.24384	0.9
298.98669	0.7
299.01938	1.1
299.05502	1.7
299.25937	100.0
299.98685	0.7
300.26257	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	300.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00337	0.6
51.74275	0.2
59.01385	2.6
68.01417	3.4
68.76507	0.2
69.82439	0.6
69.82829	0.3
71.01404	0.9
72.99317	0.4
89.02479	0.4
91.87700	0.2
93.03496	0.3
94.06670	0.3
95.05042	0.2
96.04555	0.4
96.96019	0.2
101.02453	0.3
110.06163	0.3
122.02480	1.0
122.06112	0.4
123.00970	0.2
123.03279	6.2
124.04074	0.3
124.07713	0.9
130.08749	0.8
136.07739	0.3
137.04839	0.9
138.05626	100.0
139.05975	2.7
140.07237	0.3
146.13419	0.2
150.04231	0.3
150.05600	0.2
152.03612	0.5
152.07208	1.8
161.04697	0.3
166.08751	0.7
167.05894	2.4
168.06659	0.6
180.06676	5.5
210.07800	0.6
240.08592	0.3
299.99271	0.3
300.10904	12.7
300.19144	0.4
301.00031	1.8
301.11215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
69.03457	2.5
69.75656	2.9
79.01885	1.1
81.03480	1.2
83.01382	1.6
83.80250	0.6
97.02947	2.0
107.01392	1.6
108.22149	0.6
123.00892	5.1
124.01678	19.1
124.52357	0.6
125.02459	55.9
126.02800	1.7
132.89966	0.6
137.02467	1.7
138.03252	0.7
139.03989	1.2
140.07140	0.8
149.99599	30.9
151.00363	3.1
167.03606	0.7
168.00655	72.3
169.01408	8.9
176.49251	0.6
213.03709	0.7
283.04608	6.5
301.05667	100.0
302.05963	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	301.0719
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
51.99183	0.3
59.01376	0.9
63.02090	0.6
63.02404	9.1
65.00332	13.4
66.00658	0.5
68.63910	0.3
71.01372	0.5
71.56040	0.6
80.02700	1.8
83.01395	9.8
83.05032	0.7
89.52265	0.4
93.03463	0.4
95.01414	0.7
101.93070	0.4
107.01401	26.7
108.02202	13.1
109.04076	0.7
121.03011	0.9
123.00881	1.9
123.04534	3.7
124.01695	0.8
125.02439	1.3
133.02953	0.5
134.03755	39.5
135.04288	0.8
136.01675	7.7
137.02348	0.4
138.03227	0.5
145.02998	1.0
147.04565	0.4
149.06093	24.1
150.06430	0.8
151.00381	57.2
152.00800	1.7
157.02989	0.5
163.04030	0.5
163.11299	0.7
164.01175	9.8
165.01979	3.2
165.12852	0.7
169.01436	2.6
173.02449	1.5
174.03218	1.2
175.04013	1.1
177.01927	7.1
177.12866	0.4
185.02454	1.1
189.01988	0.7
196.00143	8.2
199.04037	1.4
200.04829	0.5
201.01961	3.7
209.11842	15.7
209.13802	0.8
210.11975	0.7
215.03592	0.6
216.04228	0.5
217.01527	0.4
227.12868	2.2
229.01477	1.6
239.79892	0.4
241.05215	0.6
242.05898	0.9
245.00917	0.7
257.01016	0.7
257.08279	0.4
283.99640	1.6
285.04068	1.7
286.04633	3.7
299.99188	1.7
300.99954	32.1
301.07190	100.0
301.20264	1.0
302.00226	2.3
302.07538	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	301.0933
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01382	1.1
59.01813	0.4
59.44282	0.3
70.82408	0.8
70.82744	0.4
71.01391	5.2
73.02954	1.4
83.01394	0.7
85.02993	2.1
89.02483	0.7
89.77590	0.4
93.03476	1.4
95.01402	6.4
99.00890	0.9
101.02441	2.8
108.02219	0.8
109.02972	1.2
113.02469	3.4
114.12902	0.4
120.99590	0.4
121.03004	2.6
122.03775	0.4
123.00902	100.0
124.01771	6.3
125.02457	1.1
135.04495	0.5
136.01688	0.5
137.02449	4.0
137.07372	0.3
138.03244	63.4
139.00366	0.7
139.04050	15.7
141.55385	0.4
149.02443	2.2
150.03249	0.5
151.04030	1.7
159.03027	0.9
161.04584	4.1
163.04019	1.0
166.02708	1.9
168.00749	0.6
178.02730	1.3
181.05072	5.8
187.80112	0.4
193.05063	2.7
258.14615	0.4
300.99899	1.8
301.05652	1.2
301.09366	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	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
59.17161	0.5
69.86819	0.6
70.66263	1.5
71.01008	1.1
71.01392	19.0
72.01709	0.6
73.02951	0.7
73.40591	0.6
78.95901	0.8
87.00893	3.1
89.02453	1.5
95.05032	0.6
96.02695	0.5
110.03786	0.6
123.12630	0.5
130.91296	0.5
136.86882	0.5
155.10780	0.6
165.12862	4.4
167.14348	0.8
173.02495	1.0
183.13901	6.3
185.02419	1.0
193.12373	1.4
201.01866	0.8
203.14363	0.7
211.13420	100.0
211.50415	0.5
212.04721	0.7
212.13760	6.8
213.14975	4.1
214.15398	0.7
215.03491	1.1
223.13399	0.9
225.14803	0.7
229.01456	1.5
235.13402	1.4
239.03487	1.1
240.04282	0.7
241.14490	11.9
243.02927	1.4
247.13428	0.7
253.14461	2.5
255.16005	3.7
257.01038	0.6
257.04587	1.4
265.14441	4.4
269.04654	1.9
271.02451	0.8
283.15479	1.9
283.99606	1.4
285.04028	3.0
286.04822	4.6
299.99146	1.2
300.99933	25.4
301.07150	8.1
301.16858	2.7
301.20081	1.0
302.00259	2.7
302.07501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
69.28104	0.8
69.28529	1.2
77.83780	0.2
78.95905	0.4
89.02479	0.3
91.04016	1.0
96.96034	0.3
111.08200	0.3
123.00884	0.6
129.98616	0.2
138.03169	0.4
145.02963	0.5
146.89644	0.2
165.12852	4.0
173.02475	0.5
183.13913	100.0
184.14256	4.8
185.02463	0.5
201.02014	0.3
209.11847	2.7
212.04903	0.3
227.12898	5.3
229.01450	1.0
240.04393	0.4
241.05038	0.5
245.01070	0.3
283.06152	0.8
283.99628	0.4
297.30988	0.3
299.99081	0.4
300.99921	13.8
301.07196	1.0
301.11337	0.5
301.16635	9.9
301.19720	0.4
302.00281	0.9
302.16937	1.0
304.04883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1664
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.75498	0.3
60.97520	0.5
62.52697	0.2
70.88763	0.7
72.34089	0.2
74.99075	0.5
79.48019	0.2
110.90818	0.3
118.96278	1.2
134.99417	6.6
136.97354	1.7
141.07469	0.4
143.05374	1.9
145.58879	0.3
146.03360	0.3
150.98874	0.3
159.08484	1.7
161.05174	0.5
161.06419	5.5
170.78719	0.3
185.02458	0.4
201.04028	0.6
203.05696	2.8
204.05914	0.3
205.03587	1.6
215.05666	1.2
217.07230	87.3
218.07347	6.5
226.99924	0.3
229.01363	0.6
245.00697	0.3
261.06232	0.6
283.12003	0.6
283.15445	0.5
283.99503	0.3
285.13510	35.9
286.13672	4.6
299.99207	0.3
300.99942	8.2
301.16638	100.0
302.00214	0.4
302.16855	12.8
315.35440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.1
58.00599	8.4
59.01385	71.9
60.66610	2.2
68.77566	2.5
69.03469	3.0
69.78873	9.4
69.79283	3.6
71.01391	60.8
72.99326	19.6
73.02948	7.3
75.00878	14.0
79.05547	3.0
83.01381	2.5
83.05045	2.8
83.45795	2.5
85.02954	4.6
87.00906	3.3
89.02454	36.0
93.03474	2.9
95.05034	3.9
96.96001	2.7
97.06616	16.3
99.00886	9.4
100.44162	2.1
101.02459	17.6
109.06596	6.2
110.03777	3.9
111.08173	8.7
112.98837	7.3
113.02456	9.0
117.01964	14.1
120.05835	2.4
120.49773	2.0
121.02908	2.2
121.06600	7.1
123.04507	2.1
123.08142	4.8
124.98793	2.8
125.06113	6.8
125.09686	2.8
127.11308	11.6
131.03505	2.0
132.15031	2.1
133.06958	5.2
134.28888	2.2
135.03020	8.5
137.02457	3.9
139.07657	8.5
139.11319	4.8
142.99869	44.3
149.06113	10.8
149.09686	2.8
153.05554	10.2
153.09221	4.6
155.10852	15.1
156.56537	2.1
157.12352	3.2
166.06454	2.5
167.07161	19.4
167.10773	21.2
171.10291	26.3
173.00908	9.0
174.01691	10.8
181.08717	8.6
183.10101	2.6
185.08279	3.1
185.11852	98.4
186.12170	3.8
191.96460	2.6
193.05031	4.6
193.44356	2.2
195.10320	12.3
205.12244	2.4
207.10184	6.3
211.06285	2.7
213.11346	100.0
214.11696	2.8
221.11833	2.6
222.16452	2.1
225.07764	21.8
225.11296	14.1
227.12868	4.3
229.14409	7.1
238.68056	2.4
243.12511	2.8
249.11400	2.7
255.12479	2.9
267.12537	2.6
273.04202	2.4
302.97653	4.0
303.09473	3.8
303.14551	12.2
304.10794	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	303.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55909	0.9
55.01881	1.5
57.03436	1.2
59.01388	100.0
68.81987	0.8
70.52769	0.8
70.89162	1.5
71.01392	20.0
72.51227	1.0
73.02952	14.1
83.01384	2.9
84.25349	0.7
85.02966	5.7
89.02454	4.6
95.01380	2.7
99.00899	1.1
99.19419	0.8
101.02468	11.0
113.02473	10.6
119.03549	1.8
131.15887	0.8
172.39018	0.9
185.11824	5.2
216.18039	0.9
223.06099	1.5
230.99342	3.6
302.97696	2.5
303.14432	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97214	1.3
56.25293	1.3
57.03449	5.9
58.00597	6.6
58.19585	1.4
58.60144	1.4
59.01386	53.0
69.03430	1.5
69.23672	5.0
69.24090	8.7
71.01391	59.1
71.05013	1.6
72.99318	20.9
73.02952	5.9
74.99104	1.4
75.00883	9.7
79.05531	2.6
83.05037	4.1
84.02168	1.9
85.02953	5.7
87.00870	4.3
89.02451	28.4
91.04024	2.7
93.03473	2.3
95.05033	4.6
96.96042	2.4
97.06591	9.3
99.00880	6.4
101.02449	13.4
107.05010	2.2
108.02174	2.0
109.06595	4.4
111.08163	8.1
112.98805	4.7
113.02454	6.6
117.01951	11.9
120.05793	1.8
121.06588	6.0
122.06084	1.4
123.04546	2.1
123.08219	3.5
124.01665	3.4
124.98828	2.8
125.06097	4.0
125.09729	4.6
126.05695	1.5
127.11324	8.1
131.03514	1.5
133.06935	2.4
135.03012	4.3
135.04553	1.8
135.08167	2.3
137.02444	3.0
137.06087	2.2
139.07660	4.0
139.11320	5.0
142.99889	31.3
149.06136	7.5
149.09763	3.1
151.11301	4.1
153.05562	7.4
153.09250	2.7
155.10791	16.6
157.12357	5.0
165.09187	2.0
166.06416	2.7
167.07162	10.4
167.10799	20.8
169.12450	1.6
171.10275	25.9
173.00961	7.9
174.01781	8.0
175.00349	1.9
179.07063	1.8
181.08679	5.7
183.10268	2.6
185.11841	94.7
186.12204	5.0
193.05109	3.9
195.10280	18.0
199.13353	1.8
201.11343	3.2
202.99895	2.5
207.10292	3.1
211.06061	1.7
211.13504	1.7
213.11339	100.0
214.11673	6.4
221.11835	5.1
223.13499	1.8
225.07741	10.8
225.11288	11.3
227.12851	2.8
229.14415	7.4
230.99338	6.5
243.12457	3.7
249.11240	2.2
255.12357	2.9
262.07343	2.5
267.12311	2.5
301.20822	1.4
302.97791	6.0
303.09222	3.3
303.14417	9.6
304.10880	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	304.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04674	0.8
59.01381	14.7
60.01726	1.7
61.98838	100.0
70.85369	1.7
71.01390	4.8
72.99335	2.2
73.33529	0.7
76.16793	0.7
78.95945	1.2
79.95757	0.8
85.07754	1.2
96.96021	7.0
99.05615	0.8
100.04060	3.1
101.04417	1.2
116.02627	0.8
117.00388	0.7
117.02233	0.8
118.05125	2.4
119.00244	1.4
119.05494	0.7
136.94009	1.6
158.99947	0.8
159.01505	2.1
160.01602	6.2
161.01231	7.4
161.98967	18.8
162.01414	0.7
178.83911	0.8
183.07738	1.0
185.74843	0.7
187.10933	1.9
188.11317	2.4
190.99004	0.9
201.08795	1.4
202.02724	1.5
202.09212	1.1
203.02361	0.9
204.00090	3.2
204.89801	1.2
211.31464	0.8
213.08881	1.4
214.09274	1.1
231.11916	0.8
232.99916	1.8
242.12172	1.0
261.87378	0.8
262.87537	0.8
263.84995	5.6
264.34973	2.1
264.84775	2.1
266.88922	1.3
272.89120	1.1
279.88455	2.8
280.88080	1.0
285.10959	1.1
286.11325	8.5
294.87244	1.5
303.82806	9.4
303.88351	0.9
303.99866	10.5
304.03299	5.5
304.12320	2.2
304.32849	3.1
304.82770	3.8
304.88733	1.0
305.00140	1.7
321.89722	2.2
322.89102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32798	0.3
58.02982	39.8
59.03323	0.5
70.41557	0.9
72.67331	0.3
79.95741	0.3
93.70572	0.3
96.34631	0.3
102.61120	0.3
126.76691	0.3
135.08180	0.3
141.92111	0.3
168.13954	100.0
169.14311	5.4
186.74203	0.3
190.39229	0.3
195.57788	0.4
212.12915	2.8
257.55801	0.3
304.15814	0.5
304.19272	0.8
305.17551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98747	0.5
59.01375	2.7
61.52686	0.5
65.79885	0.4
70.24277	1.2
70.24671	0.9
71.01393	2.4
73.02968	1.2
81.43547	0.5
85.02977	1.6
96.96048	0.7
97.06539	0.5
101.02455	2.3
106.04231	0.6
113.02445	1.0
116.05079	100.0
117.05403	3.2
128.05066	2.3
130.06584	1.0
133.02930	0.5
135.04567	1.0
135.08153	0.9
140.05026	0.6
147.04541	0.5
158.06125	4.3
160.98820	0.9
161.02469	0.5
161.04555	0.8
172.04079	0.7
188.07133	1.3
194.53183	0.5
195.53935	0.5
230.08459	1.4
243.09273	9.3
244.09589	0.8
245.10861	31.4
246.11215	2.3
257.10895	2.8
287.16583	1.3
305.12985	58.3
305.17447	3.1
306.13290	6.1
324.36566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.8
59.01386	26.7
69.03448	4.6
71.01385	5.1
71.05035	2.7
71.25804	2.4
73.02940	2.1
76.08183	1.2
80.02690	1.8
81.03490	1.5
81.05857	1.4
83.01383	1.6
83.05013	2.1
84.06451	1.1
85.02968	3.1
89.02428	1.5
93.03429	1.5
93.07082	2.5
95.05029	3.5
96.96011	2.4
97.06577	3.2
99.00934	1.4
101.02439	5.2
106.04221	1.6
106.91486	1.2
108.02198	1.5
109.06608	2.5
113.02444	2.9
117.07121	33.7
119.05038	2.2
121.06600	1.8
123.08184	1.7
123.75612	1.1
125.09731	12.0
135.04552	1.4
135.08170	16.8
141.01694	2.1
146.86781	1.4
147.04588	1.7
149.09673	1.4
161.06026	1.7
162.16617	1.2
163.11325	1.4
167.10791	3.2
177.12848	1.6
179.10800	3.1
179.14423	4.0
185.11809	2.2
189.12897	1.7
195.13924	10.6
197.18294	1.3
199.13306	1.2
205.12332	10.7
209.11806	3.7
223.13409	100.0
224.13695	7.0
225.05173	3.5
232.97395	1.4
233.85506	1.2
243.17531	4.5
245.11598	7.8
249.14882	1.6
261.18539	2.1
269.15457	2.1
277.18008	8.4
287.16537	54.9
288.16830	5.2
305.08249	2.8
305.13840	9.4
305.17566	38.5
306.17810	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	305.1761
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
59.01385	39.1
64.91213	3.6
69.03451	4.0
69.09980	3.9
71.01388	32.8
71.57318	7.0
73.02945	11.2
81.03439	5.8
83.01408	5.0
83.05056	4.1
85.02961	21.9
89.00336	12.4
89.02447	4.7
95.01387	7.4
97.06622	8.2
99.00872	11.2
101.02451	24.9
101.68126	4.1
107.56024	4.2
109.02966	9.7
111.00939	4.8
113.02458	16.0
121.02934	4.8
123.00957	5.6
123.08187	4.9
125.02444	5.2
125.06083	11.9
127.07663	11.9
136.05400	4.4
138.06851	4.9
141.01749	7.8
149.02451	4.0
149.09702	7.4
151.11241	5.7
160.98788	9.9
161.04572	8.0
167.10608	4.5
168.13965	4.7
188.98218	11.0
189.12894	9.9
195.13899	31.1
207.40646	4.2
232.97295	11.2
243.17526	40.9
250.12119	14.6
257.94800	4.4
261.18588	14.3
287.16531	52.8
304.95590	4.4
305.08411	7.2
305.17566	100.0
305.21207	30.6
306.17715	7.3
306.21243	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	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01880	0.8
56.06942	0.7
57.03447	2.8
59.01390	2.8
65.03969	2.6
69.03471	1.2
69.81789	2.4
71.05034	7.3
71.76081	0.6
77.41049	0.7
79.05539	12.3
83.05022	0.6
83.81167	0.7
91.05522	0.9
93.03482	1.9
94.04276	0.8
95.05042	1.7
97.06603	15.1
106.04276	8.9
107.05044	3.0
109.06621	2.4
117.07108	1.1
119.05068	2.0
120.05843	5.9
121.06629	2.8
123.08174	6.8
125.09742	17.0
133.06627	1.9
135.08177	100.0
136.08545	3.7
137.09731	2.3
139.11183	0.8
142.14285	0.7
149.09694	0.7
151.11293	2.0
161.05963	0.9
162.06908	1.3
163.11270	1.4
165.12883	0.8
165.55142	0.6
171.10228	1.1
177.12816	0.9
183.10295	1.2
185.11877	1.9
189.12862	1.5
199.13492	1.2
203.14413	0.7
205.15991	4.9
207.10262	2.3
209.11858	2.4
221.11919	1.6
231.13995	1.8
233.11890	1.9
235.13463	0.8
249.14975	43.8
250.15245	4.0
251.96803	0.8
258.41074	0.8
263.16528	1.9
269.15567	2.1
277.18155	2.5
287.16537	11.7
288.16898	1.4
305.17609	75.6
306.17957	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
50.97230	0.9
57.03455	1.1
59.01375	3.5
60.13094	0.9
71.04144	1.4
71.05032	28.8
79.40266	1.0
81.03448	2.5
83.05025	1.3
93.03467	1.5
95.05029	15.2
96.92117	0.8
97.06583	1.6
106.04240	2.3
107.05035	1.7
109.06599	13.2
111.04494	1.9
120.05811	1.1
121.06590	4.2
122.03771	1.2
122.26302	0.9
123.04537	1.4
123.08187	1.8
125.09708	3.5
127.07666	1.7
128.65848	0.9
135.08177	15.3
136.56674	0.9
137.09755	1.2
139.07578	1.1
147.04492	2.5
147.08157	2.5
149.06108	1.3
149.09853	1.0
150.06845	2.1
161.06166	2.2
164.08409	1.4
165.09227	9.5
173.09729	0.9
175.07805	1.2
181.95265	1.1
185.11852	2.5
189.12897	10.7
190.13254	1.0
205.15976	9.4
231.13841	1.4
233.11810	5.4
243.17516	8.9
244.17978	1.2
245.15465	1.7
249.14960	13.7
261.18579	3.0
263.16614	2.0
269.15558	3.0
287.16559	69.5
288.16864	6.7
295.28867	0.9
305.17596	100.0
306.17963	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03444	1.3
59.01385	5.3
69.03430	1.5
69.55377	6.6
71.01406	1.8
71.05028	38.9
73.02954	1.1
78.59209	1.0
81.03466	3.0
83.05030	1.8
89.60425	0.9
93.03452	1.9
95.05031	19.1
106.04235	2.0
107.05047	1.9
109.02967	1.3
109.06609	19.4
109.66589	1.1
110.06931	1.0
111.04515	2.2
119.05058	2.9
120.17108	1.2
121.06653	5.4
123.04604	1.3
123.08208	1.8
127.07664	2.7
133.06590	1.0
135.08185	4.4
147.04462	1.2
147.08217	2.5
149.06152	2.1
149.09608	1.2
150.06845	1.4
159.08122	1.0
161.06099	2.8
161.09743	2.0
165.09201	12.9
175.07716	1.4
189.12888	13.0
201.16518	1.0
205.15956	9.5
231.13876	3.4
233.11830	9.0
243.17517	11.9
249.14995	12.7
250.15096	1.4
261.18594	2.8
269.15466	2.5
287.16556	81.9
288.16895	8.0
305.17609	100.0
306.17892	10.8
306.21268	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.66735	1.2
59.01395	2.4
71.01383	2.6
71.55465	1.2
80.19511	1.1
82.89877	0.9
85.02982	1.1
88.99778	0.8
89.00340	4.3
99.00900	1.6
101.02456	1.9
101.82719	1.1
111.56371	1.0
113.02458	1.8
114.83288	1.0
137.13017	1.2
160.98839	3.1
166.75197	1.1
188.98329	2.5
191.15405	1.2
210.68774	1.0
232.97223	3.7
235.03136	1.3
305.24884	100.0
306.25293	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01376	1.3
62.34740	0.3
66.25582	0.3
69.82056	0.4
71.01389	1.5
71.44161	0.6
72.02013	0.4
73.02964	0.3
73.35565	0.4
85.02958	0.4
89.00344	3.6
101.02467	0.8
116.99865	1.0
119.01415	0.4
160.98830	4.1
172.98830	0.3
188.98277	1.9
216.97844	1.4
232.97304	3.8
304.95850	0.8
305.24887	100.0
306.25226	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	307.0825
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
53.57011	0.4
56.14388	0.6
56.81732	0.4
57.03460	1.5
59.01388	6.5
69.23207	5.1
71.01392	2.3
73.02944	0.5
80.96544	0.6
81.03501	0.6
82.09132	0.5
83.01398	0.8
85.02452	1.0
85.02962	18.9
87.00899	2.3
89.02486	1.3
93.03488	1.0
96.96026	0.6
98.19795	0.6
101.02421	1.2
105.03471	0.6
107.05056	0.8
108.02151	0.7
109.02970	1.4
111.00893	1.8
113.02549	0.8
115.34591	0.4
120.99693	0.6
121.02974	2.7
122.03782	0.7
123.04598	2.3
127.04037	1.6
128.03494	0.6
129.01945	1.3
132.02197	1.2
133.02974	33.4
134.03680	1.7
135.04544	39.9
136.04858	1.3
137.02470	2.1
139.04088	0.8
143.04613	0.7
145.06784	0.5
149.02437	1.6
149.06059	0.8
150.03239	20.5
151.03944	2.2
151.56671	0.5
152.84132	0.6
157.05124	3.8
161.02464	100.0
162.02785	4.0
163.03969	0.6
175.04015	1.7
177.05577	2.9
178.02705	2.1
179.03513	29.8
180.03900	1.2
199.07652	0.8
201.05609	0.7
203.03493	3.5
205.03526	0.7
221.04604	1.5
227.07166	1.0
243.06691	1.3
245.08263	2.3
265.12799	1.0
271.06119	1.6
289.07260	4.1
307.08261	51.2
308.08572	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	307.1192
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
54.33389	0.2
59.01390	0.7
68.66521	0.2
71.01402	0.6
73.02966	0.2
77.09582	0.2
85.02962	0.4
89.10430	0.2
93.03499	0.3
95.05033	0.4
96.96027	0.9
97.06600	5.4
101.02470	0.4
105.03475	0.8
106.04245	1.0
109.02943	0.2
113.02531	0.2
123.04601	0.3
125.02428	0.2
133.02979	3.9
134.03757	100.0
135.04599	9.6
136.04871	0.2
137.02449	1.1
139.04048	0.5
161.02475	0.5
173.04573	0.2
177.01939	6.2
178.02730	18.2
179.03421	2.2
187.07695	0.6
231.10281	3.3
263.12939	0.6
267.71329	0.3
275.09262	4.3
276.09659	0.4
307.11896	24.1
308.12268	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	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11600	0.3
50.26325	0.3
59.01395	1.4
59.96741	0.5
63.41998	0.4
68.60604	0.3
70.87334	0.8
71.01389	0.8
74.99079	6.4
74.99467	0.6
83.01432	0.4
85.02961	0.5
91.02238	2.4
93.00156	1.9
100.50274	0.4
101.02455	0.7
119.01402	0.6
138.09114	0.3
141.07510	0.4
147.00903	0.5
149.00986	2.9
149.02017	0.4
159.08493	6.6
160.08699	0.6
161.06406	1.8
192.98183	0.9
194.79727	0.4
206.99695	1.6
209.01297	2.5
217.07201	0.5
223.02858	51.1
224.02895	4.4
225.00781	0.5
234.99060	0.4
235.02716	0.4
241.03960	0.6
275.05804	0.6
289.07550	1.8
289.18054	0.9
291.09128	100.0
292.09265	11.6
307.12219	2.9
307.19308	0.6
309.10083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51833	0.3
52.13973	0.3
59.96745	0.4
60.34642	0.3
63.72684	0.3
71.03238	0.6
71.03572	0.5
72.30762	0.3
74.99084	7.3
91.02220	2.5
93.00147	1.6
98.20560	0.4
143.05327	0.8
149.00978	2.8
159.08488	7.0
160.50974	0.4
161.06381	1.6
192.98164	0.8
206.99649	1.5
209.01257	2.7
217.07170	0.8
223.02850	50.9
224.02875	4.2
233.48906	0.4
241.23195	0.3
256.02100	0.4
275.05869	0.7
289.07657	2.1
289.17972	0.6
291.09128	100.0
292.09241	12.1
292.70209	0.4
307.12308	2.8
307.19183	1.1
307.22659	0.3
309.10016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01869	1.5
57.03454	1.1
58.00595	1.8
59.01385	50.4
69.50095	6.8
71.01391	25.1
72.99309	1.4
83.01382	1.9
85.02955	5.7
89.02457	23.1
89.04253	1.0
95.01406	2.2
98.19807	1.5
99.00863	1.1
99.08167	23.9
101.02458	14.9
109.22884	0.9
113.02457	9.5
119.03511	8.9
127.07646	3.6
129.09204	2.5
141.09265	1.9
145.08719	69.4
146.09050	2.8
187.09871	2.0
209.52113	1.0
283.09680	1.0
307.14020	100.0
308.14398	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	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
57.03458	3.6
57.22275	0.8
58.02958	0.8
59.01387	100.0
69.22544	8.7
71.01396	8.6
73.02972	1.4
74.02485	1.0
74.99117	1.1
79.95762	1.2
80.96527	1.2
83.01392	2.9
84.02184	0.9
85.02963	26.7
85.03473	1.7
86.02501	0.9
87.00883	2.6
89.02457	5.7
96.96010	2.1
98.20630	1.4
99.00919	1.2
101.02467	5.8
101.06079	1.6
109.02959	0.8
111.00904	3.8
113.02466	3.6
113.04382	1.2
116.33416	0.8
119.03547	2.2
120.99674	17.4
123.31758	0.9
127.04020	1.0
127.07650	0.9
128.03545	3.3
129.01941	7.9
129.03908	2.1
131.03531	0.9
133.02983	16.5
134.03772	2.1
135.04541	52.7
136.04919	2.1
137.02509	1.2
143.04651	3.8
144.04979	2.4
145.08704	1.3
150.03215	2.7
152.51791	0.8
161.02452	43.3
161.04614	2.7
161.06369	2.7
162.02905	2.5
175.04015	1.6
177.05545	2.0
179.03513	49.0
180.03711	2.4
191.02020	2.7
203.03540	3.0
203.07069	1.1
205.03564	2.0
219.10564	5.2
225.02312	1.3
233.08177	0.9
245.08290	0.9
255.08275	1.7
265.12964	3.4
273.09235	1.0
289.07077	2.5
307.04825	1.0
307.08261	26.4
307.12262	5.3
307.13889	6.3
308.08466	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01383	4.1
60.59634	0.4
61.35973	0.3
69.03471	0.7
69.10012	0.3
69.26305	3.1
71.01398	2.0
71.05025	0.9
72.55846	0.3
80.02692	1.6
80.39568	0.3
81.03455	1.5
83.01382	0.4
83.05031	5.7
85.02985	0.7
93.03456	0.4
95.01408	0.7
95.05030	1.5
96.96014	1.1
97.06603	3.0
98.03741	0.7
98.19928	0.7
101.02435	0.8
106.04240	0.4
107.05013	0.8
109.02968	0.5
109.06598	1.7
111.04541	0.5
111.08169	1.2
113.02460	0.5
113.09750	0.7
119.01406	0.4
119.04992	0.4
121.02964	1.5
121.06599	0.8
122.03743	0.6
123.00919	0.4
123.04546	1.3
123.08152	0.8
124.05328	0.7
125.06043	0.8
125.09734	0.8
127.07653	0.5
133.03001	0.4
135.04520	2.2
135.08186	1.5
137.02448	0.5
137.06105	0.5
137.09744	1.5
139.03931	0.4
139.07678	0.6
139.11288	0.5
141.09225	4.1
149.06096	0.5
149.09703	1.1
151.11316	0.8
152.08444	0.7
153.09235	0.7
161.02470	0.8
163.11295	5.9
165.09189	0.8
165.12872	3.6
167.10789	0.7
171.10384	0.5
177.09248	0.4
177.12869	0.9
178.10010	6.5
179.03459	1.1
179.10727	1.4
181.12386	2.3
183.13936	0.9
185.11871	0.8
191.10811	1.8
191.14432	7.4
192.14722	0.5
209.11848	49.2
210.12253	2.8
211.13399	1.4
217.15955	0.8
219.13901	2.3
219.17459	0.5
227.07182	1.1
235.13394	0.5
235.20607	0.4
236.10493	1.7
238.12123	2.8
239.12875	0.4
242.40120	0.4
245.19133	10.4
246.19449	0.7
249.14854	0.5
251.20148	0.6
253.10828	2.4
261.18582	1.1
263.20166	3.3
271.17032	0.8
279.19650	1.3
287.16608	0.8
289.18124	30.8
290.18497	2.4
307.02869	1.2
307.19180	100.0
308.19513	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.3
57.03461	6.8
57.78752	3.6
59.01380	4.4
61.33677	3.2
61.77417	3.4
65.03973	58.2
66.94573	3.3
69.84400	14.5
71.05035	42.2
83.05022	14.4
93.03471	14.9
97.06614	78.6
98.20644	4.7
107.08676	3.0
117.07117	12.4
119.08687	28.7
120.05792	4.2
121.06614	87.3
123.08169	7.4
125.09747	52.3
135.07225	3.6
135.08197	52.2
137.09709	10.1
138.00812	2.9
138.06874	4.2
151.11296	3.2
171.10289	45.8
185.11859	78.8
186.12218	4.7
187.14929	5.0
191.98485	3.1
205.16023	4.0
209.11832	33.9
211.13414	39.0
213.87798	3.4
221.15462	5.3
231.13852	3.7
233.15465	15.4
235.11186	5.7
235.13432	83.5
236.13728	4.8
245.19075	7.3
248.50958	3.4
249.15004	24.3
271.16937	5.8
279.19553	6.6
289.18112	100.0
290.18509	8.8
307.19156	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
57.03440	4.4
59.01376	3.4
61.98837	3.8
65.03972	65.4
66.04294	1.6
69.03435	2.2
69.21523	13.9
69.21940	3.4
71.05032	37.3
75.70496	1.4
78.53241	1.7
95.05025	2.0
97.06603	77.5
109.06560	1.6
119.08688	19.0
121.06609	100.0
122.06929	4.5
123.08190	3.1
125.09741	45.3
135.08128	3.4
137.09706	6.5
141.12930	1.7
171.37502	1.6
185.11845	91.1
186.12221	3.5
187.89789	1.6
209.11836	34.0
210.12106	2.3
211.13402	39.6
217.12337	1.8
235.13409	99.4
236.13730	6.8
249.14838	1.7
251.16481	1.7
279.19559	1.9
289.18121	25.8
307.15628	2.0
307.19186	35.2
308.19601	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.5
59.01393	2.3
69.03465	0.8
69.49401	2.4
71.05023	5.1
80.02679	1.0
81.03466	2.1
83.05038	2.1
95.05009	2.0
96.95988	0.4
97.06599	0.8
98.03756	2.4
100.16924	0.4
105.18945	0.4
105.78493	0.5
106.04238	1.2
107.05050	0.7
109.06598	14.3
110.03772	0.6
110.06921	0.5
111.04530	6.3
111.08163	1.6
112.05315	0.9
114.71770	0.4
117.16817	0.4
121.06590	0.7
121.89464	0.4
123.08166	1.8
125.09738	0.6
127.07677	3.8
131.16154	0.5
135.08139	0.8
136.38338	0.4
137.06104	0.8
137.09749	1.0
141.09241	0.7
143.10771	2.1
145.06580	2.3
149.06126	1.2
149.09717	1.5
151.11282	0.6
163.11334	0.6
167.10799	2.7
177.09225	0.5
177.86049	0.4
179.10777	1.0
191.14453	1.3
195.13954	4.1
235.13348	2.1
245.19119	5.5
249.14822	0.8
251.16440	1.2
271.17047	2.0
273.14890	1.0
287.16516	1.8
289.18112	100.0
290.18451	8.6
307.19162	10.9
308.19357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.4
59.01381	4.6
65.97645	1.9
67.05507	3.1
69.03464	2.4
69.41041	8.3
69.41443	6.6
81.03465	6.6
83.01395	7.7
83.05004	4.8
93.03477	2.5
95.05020	2.6
97.02985	5.4
97.06616	10.3
98.19897	3.9
106.04252	2.0
106.65004	2.1
109.06614	2.2
111.97623	1.9
119.08659	2.2
121.06620	3.8
123.04512	9.9
123.08200	3.3
125.09737	18.4
135.08209	4.5
137.09734	14.1
141.12869	3.2
163.11305	17.6
165.12935	4.3
171.10281	3.5
179.10818	3.1
185.11859	20.2
191.10811	3.0
191.14442	23.2
207.10281	13.7
209.11850	36.1
215.94101	2.1
217.16072	2.5
225.11377	9.7
245.19125	47.2
246.19522	2.7
263.20145	3.4
268.26248	2.3
271.16974	6.4
289.18112	100.0
290.18484	10.8
307.19189	52.0
308.19574	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83347	2.5
57.03456	15.9
59.01391	12.6
69.03459	5.1
70.88528	7.1
71.01382	9.9
79.95758	6.9
80.02650	3.3
83.05032	6.1
83.53218	2.1
85.02936	2.9
93.07079	2.9
95.04985	4.5
97.06601	25.1
109.06585	6.5
111.08170	13.0
121.06617	12.6
125.09747	16.1
135.08159	8.8
137.09724	4.1
140.95578	2.3
149.09740	4.3
151.07664	3.3
151.11285	31.1
153.09225	10.5
153.12915	4.1
155.10777	16.4
161.09644	2.8
163.11258	7.5
165.12854	29.9
167.10776	7.1
169.12320	5.0
171.10310	24.7
177.12822	4.8
179.10789	7.3
181.12376	35.4
181.92267	2.6
185.11864	30.0
191.10855	12.3
191.14420	7.4
197.11844	3.3
205.12376	4.0
209.11850	67.5
210.12337	3.4
211.13432	12.8
224.10539	2.9
224.96667	2.4
245.19122	45.6
246.19310	4.0
247.67911	2.4
261.18542	6.4
263.20145	13.7
271.17068	7.2
279.19659	9.1
289.18112	56.2
290.18332	4.4
307.19174	100.0
308.19470	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	307.1918
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
54.80744	2.3
56.80867	2.1
57.03444	9.3
58.86291	2.6
59.01394	12.3
59.75806	2.7
69.03455	3.0
71.01377	10.6
74.47015	2.5
78.02620	2.3
79.80904	2.6
80.02683	2.5
83.05036	6.5
88.84119	2.4
92.15836	2.4
93.03473	3.4
95.05007	4.6
97.06621	17.5
98.20657	6.9
107.03306	2.6
108.12238	2.4
109.06586	4.4
111.08176	9.7
121.06536	3.1
123.08170	3.4
125.09706	4.8
127.11308	2.6
137.09700	4.7
149.09734	4.0
151.11266	19.8
153.09203	4.3
154.38617	3.0
155.10774	11.4
163.11299	6.0
165.12828	19.4
167.10764	5.9
169.12334	2.7
177.12862	4.2
179.10796	3.4
181.12364	27.1
191.10843	11.4
191.14397	10.7
205.12334	4.8
209.11839	46.7
211.13379	9.6
239.09261	4.7
245.19124	30.9
246.19626	3.5
263.20184	11.0
271.17245	3.2
279.19672	5.5
289.18118	53.7
290.18591	4.5
307.15622	5.5
307.19168	100.0
308.19498	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
59.01385	8.2
69.03479	1.6
69.54568	8.2
71.01398	3.2
71.05030	3.2
80.02691	7.5
80.82697	1.6
81.03458	4.7
83.05027	8.6
84.02166	3.7
85.02937	2.4
90.99224	1.4
93.03395	1.7
95.05042	3.4
96.96018	3.5
97.06605	9.4
101.02467	1.7
106.04273	7.0
107.08662	2.7
109.06608	4.7
111.08160	3.5
113.06168	1.7
113.09701	1.8
121.02998	1.7
121.06629	13.6
123.01003	1.6
123.04533	2.5
123.08176	10.8
125.09742	19.4
127.07690	4.4
127.11314	2.6
135.04547	3.8
135.08177	36.2
137.09717	11.6
139.11269	2.0
149.09721	3.0
151.07657	2.2
151.11371	4.4
153.09232	12.3
155.10817	4.1
164.08484	1.6
165.12944	3.0
167.10844	2.4
171.10286	59.3
172.10635	1.8
177.12912	2.7
179.03526	2.8
179.10611	2.1
181.12363	1.7
182.77888	1.6
185.11836	38.7
191.14484	3.4
193.12338	5.6
199.13470	5.6
205.12408	1.7
209.11763	9.4
211.13396	12.9
212.10561	2.7
217.15974	2.3
219.90170	2.0
245.19110	20.2
246.19502	2.2
261.18594	4.5
263.20193	9.4
271.17126	4.3
279.19760	5.4
289.18118	61.7
290.18527	5.2
307.08322	2.4
307.19196	100.0
308.19391	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05235	1.4
55.01878	1.3
57.03454	2.9
59.01384	10.6
61.53932	1.4
62.78392	1.5
62.78725	1.5
65.03951	2.9
68.04802	1.3
69.03549	1.3
69.53923	9.9
71.01387	2.4
71.05018	10.2
80.02674	2.1
83.05019	4.6
85.02943	2.4
95.05015	2.7
96.96018	6.1
97.02962	6.3
97.06610	4.9
106.04275	2.2
109.06590	7.6
111.04522	2.2
119.08675	3.4
121.06615	10.5
123.04539	4.4
123.08159	4.6
125.09724	2.7
135.04567	3.6
135.08142	2.6
137.09726	3.5
139.11259	2.6
149.09738	2.4
151.11278	6.1
153.12869	2.0
163.11253	2.7
165.12840	3.4
170.66467	1.5
171.10265	2.3
178.09888	1.9
179.03503	3.3
185.11865	7.4
191.14381	5.8
195.13849	2.3
199.13364	2.3
209.11809	15.8
211.13385	4.7
217.15948	2.3
235.13358	17.6
236.10687	1.9
239.12733	1.5
240.26497	1.6
245.19118	37.8
246.19328	3.6
289.18106	100.0
290.18527	9.3
307.08417	1.6
307.15704	3.3
307.19150	36.1
308.19464	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	307.2282
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.49702	1.7
56.17538	1.9
57.03445	2.0
59.01389	12.0
71.01388	4.5
71.56359	2.3
85.02939	3.1
91.11188	1.8
92.70176	1.9
95.57456	2.1
96.96039	5.9
97.06557	2.4
101.02437	3.3
102.15094	2.0
125.09699	2.1
135.04501	9.7
139.28204	2.2
147.00891	2.5
161.02365	4.3
163.00349	2.0
179.03543	6.0
179.14397	6.8
185.11867	7.3
205.15901	2.5
223.13428	8.1
231.21207	6.5
245.16896	3.1
275.20184	100.0
276.20453	7.6
289.17920	4.6
291.09015	2.8
306.97424	2.7
307.19330	8.8
307.22791	91.7
308.23105	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2285
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
54.11754	0.3
59.01373	1.0
69.41873	1.1
69.42303	1.9
71.01373	0.8
86.35861	0.4
96.96037	1.0
101.02427	0.4
113.49126	0.3
135.04510	0.6
150.55229	0.4
179.03455	0.8
179.14752	0.4
187.23277	0.4
216.97743	0.4
307.22803	100.0
308.23148	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	307.2646
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
63.98439	0.6
71.01369	0.7
71.32649	0.5
75.02402	0.8
77.12103	0.6
89.00347	0.8
91.01906	1.7
96.96052	0.6
103.01880	0.7
116.08247	0.6
119.01392	2.4
135.00896	0.9
147.00888	2.3
163.00375	1.0
175.00424	1.0
188.98325	0.8
190.99933	1.5
216.97826	2.9
218.99367	1.0
234.98706	0.7
288.96329	1.2
306.97440	1.8
307.26453	100.0
308.26785	8.9
311.15060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89774	0.8
54.91449	0.7
59.01386	100.0
60.01722	1.8
64.53018	0.9
71.01382	3.2
71.10295	1.1
71.10647	1.0
75.74873	0.7
85.02947	2.1
89.02459	1.7
96.96049	1.3
101.02465	1.7
113.02457	1.1
135.04556	6.4
144.04572	2.5
147.03049	1.2
161.02428	2.3
161.04506	1.1
163.04007	1.8
165.12166	0.7
179.03574	1.4
180.03911	1.6
187.04074	1.3
191.03532	1.4
206.02151	1.5
214.54347	0.9
267.75485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51933	0.5
59.01385	100.0
60.01723	0.8
69.33694	4.7
69.34016	1.0
71.01387	1.6
73.02975	0.6
80.96536	0.9
85.02966	2.7
93.03472	0.6
96.96029	1.6
101.02473	1.7
105.03518	0.6
107.05071	0.8
111.41206	0.6
113.02502	1.0
123.04589	0.6
129.01900	0.8
133.03020	2.6
147.03067	1.9
177.01912	0.8
177.05408	0.5
214.23232	0.6
232.03856	0.6
249.13380	3.9
281.04633	0.8
296.72394	0.5
309.03976	1.0
309.10245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51443	0.4
59.01387	22.8
60.26947	0.4
70.96504	0.5
70.96826	1.0
96.96014	5.8
129.27927	0.4
151.04028	0.9
151.07645	1.5
152.08421	1.5
164.74628	0.4
166.33519	0.4
171.10315	0.6
197.11940	0.7
209.15494	3.4
227.20187	100.0
228.20496	8.4
265.17966	0.5
291.19720	2.0
309.17264	8.3
309.20569	20.8
309.24152	0.8
310.17715	0.6
310.20773	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	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.67591	1.1
57.03447	2.9
57.32497	1.3
59.01386	8.4
61.33824	1.1
69.03473	1.8
71.05022	16.7
72.78397	1.2
93.07090	1.2
95.05021	1.6
96.96021	4.9
97.06606	6.3
111.08205	1.6
119.08622	2.5
121.10259	11.1
123.04517	1.4
123.08189	2.2
125.09747	10.2
132.26387	1.3
135.08217	1.9
137.09744	22.6
141.12868	1.3
171.10303	52.8
172.10670	2.2
181.12448	1.6
185.11838	16.0
197.11909	4.6
199.88042	1.3
207.13896	1.9
209.11757	2.6
209.15593	1.2
219.14018	3.0
237.14946	3.2
247.20607	2.8
251.16547	39.7
252.16936	1.5
265.18237	1.4
267.09244	1.5
273.18677	4.9
282.13205	1.2
291.19690	100.0
292.20032	10.0
309.04199	1.7
309.10202	4.3
309.20752	85.7
310.21042	5.8
311.43567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03452	2.5
59.01379	4.9
68.45597	1.0
69.03441	1.4
71.01379	1.8
71.02991	2.7
71.05031	24.2
75.44257	1.0
95.05019	1.2
96.19766	0.9
96.96035	1.5
97.06050	1.0
97.06576	6.5
107.05035	1.7
115.17973	1.1
119.08660	1.9
121.10281	5.4
123.08163	1.5
125.09766	6.2
135.08168	2.0
137.09755	22.3
141.12871	1.6
165.12851	1.8
171.10295	57.9
172.10593	2.1
181.12347	1.6
185.11861	8.4
186.12122	1.3
195.13916	1.4
197.11917	2.2
207.13850	1.8
211.13388	5.2
219.13844	1.6
223.13379	1.2
233.15410	3.2
235.17130	1.8
237.14977	3.0
247.20718	2.4
251.16539	18.3
273.18741	3.1
291.19681	76.8
292.19992	8.2
309.20724	100.0
310.21109	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
59.01377	2.8
70.84273	3.3
71.05029	35.6
83.05027	2.1
95.05035	2.1
96.95995	1.8
97.06606	8.7
107.05039	2.2
109.06582	2.4
111.08173	4.9
119.08701	2.0
121.10230	7.7
123.08157	1.9
125.09748	8.6
137.09752	29.5
171.10291	86.4
172.10612	2.8
185.11833	10.9
187.87216	2.2
195.13876	2.5
197.11829	6.3
207.13902	3.5
209.11919	2.8
211.13362	3.4
221.15443	2.2
228.90657	1.9
235.16977	2.4
237.14995	3.8
239.16531	3.1
247.20636	3.0
251.16550	28.8
252.16805	2.2
273.18442	2.2
291.19693	94.5
292.19904	9.4
309.20737	100.0
310.21173	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18495	1.3
57.03436	1.3
59.01385	2.1
59.25371	1.1
63.29247	1.1
67.01873	1.6
70.09191	5.7
71.18622	1.1
78.47375	1.1
80.05376	1.1
97.02969	2.0
97.06614	1.5
111.08163	3.6
121.10246	9.6
123.53365	1.4
125.09758	7.6
134.30115	1.2
135.47092	1.4
137.09737	5.3
140.41521	1.3
156.39853	1.2
164.24815	1.2
166.27852	1.1
167.14436	2.3
171.10312	8.5
173.94560	1.3
185.11841	12.4
195.13933	2.5
197.11835	9.6
209.11815	2.3
211.13416	61.6
212.13771	2.8
236.58821	1.3
246.02809	1.1
247.20908	1.6
273.18539	2.7
278.26352	1.2
291.19690	100.0
292.20016	11.6
309.20728	19.1
310.21140	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
69.03455	2.7
70.45984	2.4
82.11502	0.8
83.05037	1.5
85.02966	3.1
97.02961	36.8
98.03242	1.4
111.08167	1.8
119.08710	1.8
125.09747	1.7
137.09737	11.8
151.11287	3.7
155.10802	1.3
155.32036	0.8
171.10298	18.9
177.12888	1.6
185.11890	2.2
193.12376	1.1
195.13890	3.2
211.13368	2.0
221.11810	4.2
239.12856	4.7
240.13593	1.1
247.20724	5.9
273.18558	2.5
291.16269	1.6
291.19687	90.4
292.19934	6.0
309.20740	100.0
310.21118	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.5
67.01872	1.6
69.03458	6.9
83.05012	3.3
83.28777	1.2
85.02943	3.9
97.02356	2.8
97.02963	51.9
97.06585	1.3
98.20759	2.4
111.08155	2.6
119.08675	5.9
125.09729	2.7
127.11297	2.2
137.09732	22.5
139.70920	1.4
151.07590	1.9
152.08420	3.4
153.09254	1.3
163.11310	2.7
165.12877	1.8
167.10805	2.0
171.10286	43.7
172.10555	2.8
177.12799	2.2
185.11777	4.3
195.13979	2.4
209.15527	4.0
211.13367	2.9
221.11789	4.8
228.67546	1.3
229.00711	1.3
239.12892	6.2
247.20686	2.6
273.18515	3.9
274.19199	1.5
291.19684	45.3
292.20059	4.1
309.17181	8.6
309.20706	100.0
310.21069	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28598	1.5
57.03444	2.9
59.01387	3.7
69.03471	5.2
70.08215	6.4
71.05045	1.8
73.22536	1.4
83.05056	1.8
97.64790	1.4
107.08712	2.0
111.08134	3.0
111.98392	1.5
116.94238	1.6
119.08685	15.3
125.09737	9.7
127.11298	3.4
135.08160	3.1
135.63364	1.5
137.09740	28.5
139.11232	2.2
151.11285	2.4
153.09219	2.2
155.10838	3.9
167.10800	3.7
171.10295	100.0
172.10619	4.2
183.10260	6.7
185.11827	22.0
197.11850	8.1
198.80569	1.5
201.11328	6.0
211.13524	3.5
213.11348	7.3
225.40329	1.5
229.19508	1.8
247.20682	1.8
273.18747	7.7
278.01270	1.5
291.19662	34.7
292.20090	2.7
309.17191	2.7
309.20712	30.5
310.21146	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.1
58.88030	1.4
59.01389	1.2
62.70506	1.0
69.03469	1.7
69.84643	6.4
98.19846	1.5
111.08173	34.9
137.09711	1.9
151.11365	1.2
153.12794	1.6
154.86476	1.7
169.12357	7.3
171.10341	2.5
174.24596	1.3
181.12318	1.6
197.11852	100.0
198.12137	5.8
199.13403	3.3
209.15416	2.3
211.13365	8.3
225.14920	1.6
227.12885	2.5
263.20123	5.0
265.18082	2.1
273.18570	2.3
291.19705	19.6
309.20740	35.9
310.21347	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.23335	0.6
57.03448	1.7
58.00611	0.6
58.43492	0.6
59.01367	1.0
63.56463	0.6
69.80713	3.8
71.01415	0.7
83.05049	0.8
95.05032	0.7
95.91440	0.7
97.06596	1.7
113.09729	1.0
123.08165	0.7
125.06099	1.5
125.09722	4.3
127.07636	0.8
127.11315	1.2
139.11307	1.2
141.09244	2.2
151.07686	0.9
153.09201	1.0
153.12859	1.1
155.10759	0.9
159.97736	0.6
165.12848	1.4
167.14473	1.2
171.10294	2.2
181.12326	1.5
183.13980	1.2
183.67564	0.7
185.11920	0.9
195.13913	1.0
199.09723	3.2
200.10605	3.8
201.11311	2.5
211.13432	1.4
247.20648	5.2
249.41838	0.7
265.21719	1.6
273.18607	2.3
281.21298	1.6
291.19684	25.8
292.20013	2.8
309.20749	100.0
310.21085	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12184	1.6
57.03458	2.4
59.01388	1.9
67.01899	1.4
69.03449	1.5
69.69822	7.3
71.05029	1.5
80.02683	11.5
81.03461	3.8
83.05035	29.3
84.02179	10.9
86.12184	1.2
95.05036	1.9
97.06589	3.0
99.08196	9.4
109.06597	2.6
110.03732	1.5
111.08170	1.6
113.09718	2.5
115.07677	5.4
123.04544	2.0
125.09706	4.5
127.11295	3.8
135.08192	1.4
137.09737	46.8
138.10088	2.7
139.11351	7.0
144.61761	1.4
151.11299	4.8
153.09212	9.4
153.12845	2.7
154.09958	1.4
155.10793	52.2
156.11160	1.7
163.11299	1.9
167.10779	4.4
171.10287	49.9
172.10616	2.8
193.12337	24.9
194.12793	1.8
197.11868	1.4
209.11818	4.6
211.13428	4.9
244.46159	1.2
247.20680	7.8
263.20062	6.2
265.21710	9.7
273.18701	2.2
291.19684	100.0
292.20035	8.2
295.06885	1.3
309.20737	75.6
310.21115	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44137	1.2
57.03455	2.0
59.01369	4.0
60.09720	1.7
70.69655	1.3
70.70013	3.9
81.03446	2.8
83.01405	9.1
83.05015	4.1
91.27786	1.3
95.05061	2.2
97.02979	1.7
97.06589	5.9
98.03768	2.1
109.06581	1.7
123.04518	3.9
123.08142	3.8
125.06094	3.2
125.09727	9.5
127.11248	1.4
137.09775	2.9
139.11330	11.5
149.09613	1.7
151.11314	2.3
161.09679	1.5
163.11292	5.8
165.12846	17.5
167.10773	6.1
168.11443	2.0
171.10289	3.7
181.12311	4.3
183.13846	1.5
185.11823	2.4
191.10802	2.5
193.12393	1.9
193.15968	5.2
195.10173	1.8
207.10187	2.2
209.11852	57.1
210.12117	3.7
211.13318	1.8
247.20726	14.4
265.21674	4.3
273.18582	4.2
281.21179	2.2
291.19687	100.0
292.19916	9.0
309.20743	35.5
310.20966	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03136	1.6
55.66064	1.6
57.03445	3.8
59.01377	3.7
63.88354	1.6
69.18835	20.1
71.01384	3.5
71.05016	1.8
75.75241	1.8
80.02676	7.1
80.63352	2.1
84.02165	2.5
88.18421	1.9
95.05124	1.9
97.06596	3.7
99.08131	2.2
101.05257	1.8
116.58804	1.7
123.08165	23.3
125.09738	25.0
127.11324	8.8
137.09744	16.6
139.11292	8.0
141.09206	2.2
141.12885	3.2
151.11340	3.0
153.09184	3.5
155.10791	50.6
156.11038	2.1
160.15387	2.1
167.10736	5.1
171.10295	91.3
172.10539	4.8
185.11856	100.0
186.12180	5.3
193.15988	2.1
209.15411	4.3
212.10558	4.8
247.20703	6.1
263.20148	8.0
265.21695	4.6
273.18753	2.4
281.21204	16.7
291.16647	3.6
291.19693	42.7
292.20041	5.9
309.17322	4.3
309.20706	48.5
310.21048	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	309.2074
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.81823	2.0
55.77629	2.0
57.03432	2.9
59.01381	4.5
70.76492	2.0
70.77589	3.9
71.35289	1.9
80.02682	6.1
96.96012	2.4
99.08171	2.2
116.65018	1.9
123.08189	14.3
125.09725	19.7
127.11308	5.5
137.09741	14.1
139.11299	6.3
141.09229	2.3
151.11319	3.3
153.09267	3.2
155.10794	44.1
157.02856	2.3
165.12813	2.4
167.10796	7.7
169.12320	2.6
171.10287	100.0
172.10684	2.9
181.12328	3.8
185.11844	88.9
186.12071	2.9
205.12854	2.6
209.11862	5.3
212.10504	3.1
245.66963	2.1
247.20738	4.7
263.20215	10.1
265.21729	6.0
281.21286	13.6
291.19684	40.5
292.20016	3.2
309.17267	7.7
309.20758	39.3
310.21072	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48501	1.0
53.26054	1.2
62.19635	1.2
63.64923	1.2
69.03454	1.4
70.98012	2.9
76.54916	1.2
83.05018	1.4
109.06611	1.1
109.13781	1.0
111.08172	29.5
112.08483	1.4
122.42985	1.1
127.07678	3.8
140.53188	1.2
151.11336	1.3
153.12854	2.3
169.12384	8.4
171.10249	1.4
181.12279	2.2
183.13904	2.0
197.11859	100.0
198.12222	6.4
199.13426	3.9
211.13445	10.5
214.83429	1.2
225.14915	1.7
227.12831	3.1
263.20126	7.6
265.18066	3.2
276.42096	1.3
291.19696	18.8
292.20142	1.8
309.20724	31.7
310.21075	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77316	1.1
53.57236	1.1
56.68063	1.1
57.03444	1.9
59.01378	5.7
68.00169	1.1
71.03133	2.2
71.05033	13.8
81.03466	2.2
83.05035	1.8
93.07079	1.3
96.96008	2.0
97.02983	1.3
97.06590	4.7
111.08135	1.6
121.10261	8.0
123.08160	1.6
125.09740	9.0
127.11298	1.3
137.09723	16.7
138.05130	1.1
139.11227	1.3
141.12851	1.7
151.11263	1.2
171.10287	35.4
172.10681	2.2
182.99287	1.2
185.11862	12.6
197.11804	4.1
207.13857	1.4
209.11864	1.8
219.13914	1.8
221.11751	1.6
235.17044	3.2
237.14978	3.4
240.05554	1.2
247.20645	4.1
251.16547	34.9
252.16910	3.5
267.63977	1.2
272.35559	1.1
273.18756	1.8
273.78510	1.1
291.19693	100.0
292.20032	9.3
309.17535	2.9
309.20740	79.3
310.21088	6.2
318.76093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0936
Annotation	Dhurrin
Peak:m/z	Relative Intensity
58.00615	2.8
59.01384	54.9
69.68461	9.2
71.01395	31.0
72.99323	2.2
73.02953	3.5
75.00892	3.0
85.02968	9.0
85.95023	1.7
87.00902	4.1
87.79020	1.6
89.02452	30.0
92.05067	8.9
95.01392	2.0
97.75212	1.5
98.19942	2.8
101.02456	14.9
113.02461	14.3
116.05048	3.1
118.03032	3.8
119.03524	12.3
120.04566	9.0
131.03668	5.7
132.04564	17.7
134.06131	3.9
144.04553	8.3
146.02495	58.3
146.06071	1.6
147.03279	76.4
148.04079	18.9
149.04504	3.5
158.06148	2.5
160.04051	85.5
161.04440	5.0
162.05609	2.7
170.06085	1.9
172.04083	9.9
174.05600	13.7
179.02286	9.9
179.05576	4.2
186.05630	4.6
190.05115	2.5
196.04080	1.9
202.05110	29.9
203.05458	1.7
204.06573	2.0
214.05113	8.7
232.06194	3.0
292.32407	1.5
310.09360	100.0
311.09610	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	2.2
59.01385	66.3
69.87865	6.8
70.11114	1.7
71.01382	37.6
72.99334	2.2
73.02943	6.0
75.00880	4.4
83.01376	2.6
85.02948	11.2
87.00872	7.4
89.02453	36.0
92.05055	6.9
94.98260	1.5
101.02457	22.9
113.02475	16.7
116.05042	5.7
118.03000	3.4
118.43253	1.5
119.03512	11.9
120.04568	10.0
128.05080	2.9
131.03720	9.5
132.04561	20.6
134.06134	3.7
143.03500	1.8
144.04579	9.4
146.01295	2.3
146.02487	73.3
146.06125	5.8
147.03281	77.5
147.04471	3.7
148.04076	22.0
149.04536	6.6
150.05635	1.8
158.06143	3.7
160.04045	100.0
161.04504	8.9
162.05618	6.6
172.04033	7.9
173.04764	2.3
174.05602	20.4
177.05533	2.4
179.02222	10.9
179.05595	4.9
184.04030	2.1
186.05600	8.2
190.05040	2.3
199.65369	1.8
202.05104	30.9
203.05458	1.9
204.06639	1.8
214.05125	9.2
232.06148	3.1
265.55508	1.6
310.09338	99.7
311.09872	7.5
316.08221	1.8
327.45514	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	311.0561
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
55.01654	0.1
55.01892	0.2
59.01387	5.8
63.02413	0.2
65.00328	1.3
65.03963	0.1
68.99832	0.1
69.03457	0.1
69.24128	0.7
70.78013	0.1
71.50452	0.1
72.14757	0.1
72.99342	0.1
73.02955	0.1
75.02419	0.1
77.03976	6.8
78.04311	0.2
79.01900	4.4
80.02248	0.1
81.03465	0.2
83.01402	0.3
85.02979	0.1
87.00862	0.1
87.02418	0.1
89.03947	0.1
91.01914	0.1
91.05556	0.2
93.03471	4.1
94.03809	0.1
95.01402	0.2
95.05014	0.3
95.93854	0.1
96.96017	0.3
97.02969	0.8
101.02466	0.2
103.01910	0.3
105.03471	1.6
105.80657	0.1
107.01400	0.8
107.05062	0.1
108.02213	0.2
109.02970	0.2
113.02450	0.1
115.00423	0.1
117.03482	19.6
118.03803	0.7
119.01397	0.2
119.05042	2.3
119.05898	0.1
120.05494	0.1
121.02970	4.9
122.03323	0.2
123.00918	0.1
123.04554	0.3
125.02469	0.9
130.04187	0.1
131.01419	0.3
131.05046	0.2
133.02951	0.5
134.03754	0.3
135.00908	0.3
135.04544	4.5
136.01682	0.2
136.04871	0.2
137.02486	0.5
141.03487	0.2
143.05028	0.2
145.02965	0.9
146.03728	0.2
147.00868	0.1
147.04547	0.6
148.01668	0.6
149.02458	1.8
150.02798	0.1
151.00337	0.1
155.05103	0.3
156.05824	0.1
158.03786	0.4
159.04533	3.7
160.04889	0.2
161.02463	5.4
162.03120	0.3
163.00395	0.8
163.04025	4.7
164.01134	0.2
164.04305	0.2
165.01949	2.9
166.02393	0.1
167.03592	0.2
167.05003	0.2
168.05821	0.1
169.06630	0.6
170.07056	0.1
170.31143	0.1
171.04578	0.4
171.08180	0.2
172.05251	0.1
173.02480	0.3
173.06088	0.8
175.00352	0.6
175.02541	0.2
176.01160	0.2
180.05856	0.3
181.06621	0.4
182.03740	1.1
182.07352	0.2
183.04530	1.7
183.08148	1.2
184.05060	0.1
184.08441	0.1
185.02487	0.2
185.06036	0.2
187.04039	0.1
189.01915	0.3
190.02768	0.2
190.99886	0.1
191.03514	1.5
193.01460	0.9
193.06595	0.3
194.07341	0.3
195.04529	0.6
195.08162	0.7
196.05301	1.1
197.06091	2.1
198.06491	0.1
199.04005	0.3
200.04723	0.1
201.05571	0.3
203.03516	0.3
208.05243	0.1
209.06068	0.7
210.06848	0.6
211.04044	0.3
211.07671	1.7
212.04736	0.2
213.05539	0.4
215.07152	0.8
217.01543	0.1
221.06166	0.3
223.03973	0.2
223.07663	0.1
224.04785	1.4
225.05566	0.7
226.06273	0.1
227.03503	0.3
227.06984	0.4
237.05586	0.8
238.06383	0.6
239.03372	0.3
239.07155	3.7
240.04265	0.7
240.07433	0.2
241.05063	0.5
243.06631	0.2
249.05626	0.1
253.05075	0.9
254.05827	0.4
255.06679	0.5
256.04004	0.1
265.05151	0.4
266.05551	0.1
267.03049	0.3
267.06586	0.3
268.03799	4.0
269.04288	0.5
281.01453	0.1
281.04590	2.9
282.05316	2.3
283.06137	65.5
284.06470	5.4
293.04587	1.5
294.05014	0.1
309.04129	0.9
311.05634	100.0
312.05966	9.1
314.04309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32046	0.4
59.01385	13.4
62.68058	0.4
71.01395	4.3
73.02952	5.2
75.53628	0.4
76.60187	0.4
76.99930	0.3
81.53909	0.3
85.02984	0.5
87.00894	1.7
88.51785	0.3
89.02455	20.8
90.02807	0.5
95.20045	0.4
101.02475	0.7
103.04032	5.0
107.05063	0.8
117.03481	0.4
131.03510	1.5
133.02965	1.5
134.03740	2.7
135.04546	15.8
136.04807	0.7
149.04575	100.0
150.04895	2.7
161.02455	2.7
173.04565	0.4
175.04018	0.4
179.03523	9.3
180.03882	0.4
228.49501	0.4
259.61069	0.4
283.06055	1.0
283.69821	0.4
311.05121	2.6
312.06165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
67.75977	0.5
69.38483	3.8
71.01391	4.5
71.48003	0.5
73.02966	4.8
85.02988	0.9
86.02560	0.5
87.00867	2.5
89.02454	24.0
90.02805	0.5
96.96018	0.9
98.02507	0.4
100.94456	0.4
101.02452	1.3
103.04019	2.1
107.88879	0.4
113.02422	0.6
119.05046	1.9
121.02997	0.5
131.03525	6.3
133.02957	1.9
134.03780	2.3
135.04539	24.4
136.04849	1.3
144.51648	0.5
149.04568	100.0
150.04900	1.9
161.02440	3.9
163.04010	2.5
165.04082	3.3
165.05280	0.5
179.03525	14.0
180.03735	0.5
251.87935	0.6
267.06607	0.7
311.04977	0.6
311.07965	1.4
311.29718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01703	1.0
60.35133	0.6
64.64396	0.8
71.01379	4.5
73.02958	2.3
85.02979	1.8
89.02459	7.3
94.21704	0.7
96.96016	1.6
99.00873	0.8
101.02462	1.5
103.04028	1.5
109.03004	0.7
113.02486	1.1
117.39719	0.7
120.71677	0.7
133.02962	5.3
134.03725	0.8
135.04521	5.4
149.04570	33.5
150.04950	1.0
161.02463	1.6
161.04617	1.8
175.04057	1.5
177.01991	0.8
179.03561	3.3
193.05045	1.1
212.80841	0.7
269.10324	2.0
311.05508	13.3
311.11313	0.8
311.22650	0.9
311.29678	0.7
312.06100	0.8
315.87634	0.7
316.13358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08719	0.8
57.03445	1.3
59.01387	100.0
64.94726	0.9
69.03492	0.9
71.01386	8.1
73.02943	2.0
78.70521	0.8
79.01896	1.4
83.01402	1.1
85.02954	4.1
89.02457	1.7
94.61573	0.9
95.01414	1.0
97.02969	1.1
99.00849	1.1
101.02445	5.5
107.01411	2.3
113.02471	2.4
115.07703	0.9
125.02415	1.1
131.24857	0.9
137.46376	1.0
151.00404	1.4
161.04568	2.9
166.02733	10.2
187.96791	0.9
193.05106	1.1
269.10251	2.8
302.11655	1.1
311.07843	2.5
319.97882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01728	1.7
69.96730	3.0
71.01385	13.8
72.99319	2.6
73.02943	3.3
78.95925	3.6
85.02966	4.5
85.32645	1.2
87.00876	1.9
89.02459	7.9
99.00911	1.0
101.02441	9.1
103.71439	1.0
109.02995	1.6
111.00870	1.3
113.02448	5.2
119.03534	3.9
120.95483	1.3
124.82936	1.0
125.01004	1.3
126.98884	5.2
130.08763	2.7
131.09094	2.0
135.04544	3.1
136.94038	2.2
143.02013	1.7
147.03271	1.4
148.03867	1.9
149.04451	2.3
149.06041	1.4
150.05673	1.2
156.99873	1.2
159.03223	1.2
161.04622	5.6
161.05797	1.3
168.99939	2.8
175.03976	1.3
177.05624	3.5
181.11798	1.2
189.05553	4.2
212.98953	6.5
221.04523	2.4
224.96759	1.3
251.03061	1.7
251.11377	12.2
269.04727	1.4
310.96811	1.4
311.09680	6.7
311.12790	2.4
311.22369	1.2
311.29489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51664	0.3
69.12362	0.3
69.49743	1.5
69.50146	0.5
79.95714	1.3
80.40668	0.2
96.96057	0.4
98.95607	0.7
99.80157	0.3
109.40932	0.3
119.05049	1.3
120.01730	0.2
127.95553	0.3
161.08794	0.3
170.00476	1.4
180.11113	0.2
183.01219	53.0
184.01892	4.4
197.02794	2.2
198.03543	0.4
211.04372	0.4
212.05031	0.3
213.05708	0.3
216.00992	1.8
221.82333	0.3
225.05951	0.6
230.02544	0.4
239.07489	0.8
247.20888	0.4
311.16879	100.0
312.17206	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11658	0.7
57.03450	0.8
59.01395	1.5
70.18178	1.2
92.47514	0.7
97.06629	0.8
97.21181	0.6
104.89027	0.7
125.09735	5.5
139.11320	1.5
141.09221	2.2
147.97948	0.6
153.09142	0.6
155.14426	2.2
157.12347	0.9
169.08659	1.1
170.13188	0.7
171.10300	4.0
183.13924	0.8
200.10672	3.2
249.22244	2.5
265.21732	0.9
267.23398	1.4
275.20148	1.4
283.22794	0.6
293.21255	8.8
298.44412	0.9
301.97870	0.6
311.22327	100.0
312.22653	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74433	0.5
57.03463	5.3
58.00583	0.9
59.01397	3.2
59.92166	0.5
62.47219	0.4
63.11660	0.5
69.03448	0.5
70.84421	1.2
79.55965	0.5
85.02972	1.5
87.04522	12.6
97.02974	1.0
97.06602	0.6
99.08175	0.5
111.08201	0.7
123.08244	0.6
125.09757	1.4
127.07719	0.5
129.09239	0.8
138.10048	0.6
139.11319	1.4
147.43275	0.5
152.69293	0.5
154.08943	0.5
163.11349	0.8
171.10283	2.2
172.10574	0.9
173.08214	0.6
193.12396	0.8
197.11882	1.4
198.12192	1.1
199.12299	0.9
200.63316	0.6
211.13377	1.8
211.16148	1.7
223.17055	31.6
224.17410	2.8
235.13284	0.6
235.17116	3.0
249.22083	0.6
253.18175	0.7
275.20151	4.3
291.19742	0.8
293.21078	24.1
294.21460	2.0
311.22275	100.0
312.22647	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50400	0.5
62.43476	0.5
64.13511	0.5
65.78624	0.5
66.75307	0.5
70.60861	2.0
71.05007	1.1
74.89650	0.7
80.58891	0.5
91.16476	0.7
101.58057	0.6
109.76000	0.6
111.63534	0.6
113.09731	1.4
125.09741	1.0
139.11314	2.3
151.11320	0.9
154.10014	1.8
167.14430	0.7
171.10245	2.1
177.12837	2.8
178.13614	0.9
193.12427	1.1
195.13907	4.1
196.14673	0.9
211.13499	1.0
235.05916	0.8
249.22250	4.6
293.21252	74.4
294.21588	6.4
311.22296	100.0
312.22665	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52611	0.7
57.03449	1.1
58.42130	0.7
59.01386	1.2
64.51615	0.7
65.53062	0.8
71.05086	1.3
71.55163	1.1
71.94856	0.7
75.14789	0.9
76.31062	0.7
87.01754	0.8
97.02952	1.2
99.08199	0.9
112.20036	0.8
113.09760	5.0
121.10255	2.1
125.09688	1.8
127.37388	0.8
137.09727	1.1
139.11311	21.0
140.11575	0.8
148.71794	0.7
155.10739	1.1
163.11328	1.6
164.92207	0.8
165.12891	1.0
167.10786	0.9
167.14456	1.0
171.10289	27.7
172.10678	0.9
185.11815	1.4
211.13434	3.1
234.76389	0.9
249.22243	1.2
275.20239	0.8
293.21246	41.8
294.21606	3.7
311.22302	100.0
312.22662	9.6
326.28299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
59.01398	1.1
63.46442	1.0
69.73145	5.6
99.08189	1.2
107.55270	0.9
112.84175	0.9
113.09735	1.3
121.10258	1.9
123.08092	1.3
125.09748	2.7
127.11329	4.6
129.09200	1.4
137.09727	1.5
139.00223	0.9
139.11296	11.8
150.31619	0.9
151.11324	1.0
155.10783	3.6
165.09189	1.2
165.12820	1.0
167.10803	1.1
169.12323	1.4
171.10289	50.8
172.10600	1.6
181.12344	2.0
183.10240	2.4
185.11894	9.8
193.12355	3.0
197.11835	5.4
199.13425	1.8
200.75514	1.0
201.11349	7.3
211.13422	7.6
275.20209	4.1
281.76035	1.0
293.21271	31.2
294.21515	1.4
311.22305	100.0
312.22757	7.7
314.77191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45158	0.9
57.03465	0.9
59.01403	1.0
63.57625	1.0
69.91067	0.7
70.97998	1.9
80.11254	0.8
80.71708	0.8
87.47005	0.7
93.25887	0.8
121.10245	1.4
125.09706	3.6
127.11293	5.7
129.09219	2.6
139.11305	11.6
152.41107	0.9
153.09230	1.0
155.10811	2.7
156.13968	0.8
161.21619	0.8
163.63832	0.9
168.43861	0.7
169.12497	1.2
171.10287	55.7
172.10625	3.2
181.12363	1.9
183.10309	5.8
185.11781	7.9
193.12408	1.0
197.11838	2.3
199.13411	1.5
201.11327	11.8
211.13431	5.9
275.20200	3.4
293.21268	16.6
294.21606	1.4
311.22305	100.0
312.22672	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.8
60.33232	0.5
60.66281	0.6
61.82399	0.5
64.00066	0.5
89.11087	0.5
95.46810	0.5
113.09692	1.0
115.07649	1.2
117.14582	0.6
127.07672	1.1
128.08475	0.9
139.11308	0.6
151.55844	0.6
167.14424	3.7
171.10301	0.7
180.20924	0.5
183.13948	2.0
195.13905	11.6
196.14191	1.4
211.13362	1.2
213.15034	1.2
219.45209	0.5
242.15273	0.9
265.21664	1.0
267.23288	0.7
275.20279	0.6
293.21295	9.6
294.21518	0.6
311.22296	100.0
312.22644	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22179	0.5
59.01381	0.7
62.11082	0.5
70.04766	1.4
70.47183	0.5
71.70285	0.5
82.70884	0.5
86.59516	0.5
97.06596	0.8
98.19901	1.0
116.90009	0.5
123.08176	0.5
125.06175	0.6
125.09754	4.0
139.11220	0.7
141.09221	1.8
141.12851	1.2
143.10921	0.6
153.09329	0.8
155.14429	2.0
157.12422	1.2
167.10803	0.9
171.10223	1.5
183.13834	0.7
185.11804	0.6
200.10551	2.6
204.22543	0.6
206.69649	0.5
249.22247	2.6
265.21744	1.4
267.23273	1.0
275.20142	1.2
283.22876	0.6
293.21265	8.1
311.22305	100.0
312.22571	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.74433	0.5
57.03463	5.3
58.00583	0.9
59.01397	3.2
59.92166	0.5
62.47219	0.4
63.11660	0.5
69.03448	0.5
70.84421	1.2
79.55965	0.5
85.02972	1.5
87.04522	12.6
97.02974	1.0
97.06602	0.6
99.08175	0.5
111.08201	0.7
123.08244	0.6
125.09757	1.4
127.07719	0.5
129.09239	0.8
138.10048	0.6
139.11319	1.4
147.43275	0.5
152.69293	0.5
154.08943	0.5
163.11349	0.8
171.10283	2.2
172.10574	0.9
173.08214	0.6
193.12396	0.8
197.11882	1.4
198.12192	1.1
199.12299	0.9
200.63316	0.6
211.13377	1.8
211.16148	1.7
223.17055	31.6
224.17410	2.8
235.13284	0.6
235.17116	3.0
249.22083	0.6
253.18175	0.7
275.20151	4.3
291.19742	0.8
293.21078	24.1
294.21460	2.0
311.22275	100.0
312.22647	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	311.2595
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
51.41240	0.5
57.03444	1.1
57.05273	0.5
59.01376	2.4
70.85136	0.6
70.85462	0.8
123.21138	0.5
135.08159	1.1
149.09750	0.5
166.36086	0.5
171.10258	0.6
183.01222	18.1
184.01826	1.3
197.02730	0.6
216.00998	1.2
239.07622	0.5
251.11435	0.5
251.23875	1.3
267.27158	0.7
293.21243	1.5
311.05460	0.8
311.16898	31.1
311.22650	4.3
311.25916	100.0
312.17206	2.4
312.26260	12.1
333.96219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2596
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
59.01395	3.6
70.58245	1.2
84.20901	0.6
88.84803	0.7
95.01385	0.6
123.00903	0.7
183.01236	17.2
184.01730	1.7
197.02753	1.4
216.01054	1.0
265.25372	0.9
267.27036	1.6
293.21307	0.8
293.24857	2.5
296.03271	1.3
311.05994	0.7
311.16913	29.9
311.25931	100.0
312.17343	3.1
312.26270	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	313.057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03460	12.7
59.01389	6.2
59.31504	0.7
60.17265	0.5
62.01307	0.6
71.01379	3.7
71.22994	1.3
72.99323	1.8
75.00896	1.4
83.01395	1.8
84.02176	2.2
85.02964	100.0
86.03304	1.9
87.00880	0.8
89.02484	0.8
92.96432	0.7
101.02449	0.9
103.00373	1.7
108.02184	0.7
111.00891	2.6
115.00407	0.9
121.02965	6.3
129.01970	8.7
134.35332	0.7
143.05112	0.7
147.03021	11.3
173.00916	1.4
191.01999	16.1
192.02431	1.0
215.87677	0.6
232.83054	0.6
262.09579	0.7
265.38675	0.6
313.05756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
52.18945	0.7
59.01392	3.9
63.02407	6.9
65.00324	4.3
68.99845	0.6
69.68257	3.9
80.80850	0.7
83.01369	0.8
83.05042	0.7
85.02928	0.8
89.00320	1.0
96.96025	0.9
107.01413	3.7
113.12443	0.6
118.87180	0.6
119.05019	0.7
121.02984	2.2
141.24562	0.7
143.05026	4.0
145.02968	2.0
145.23672	0.7
147.00854	1.1
151.00494	1.2
154.56956	0.7
165.07112	1.4
180.05826	1.3
181.06601	1.9
183.04463	0.7
185.06123	1.2
197.06126	4.2
209.06099	3.8
211.04036	1.0
213.05550	0.8
225.05537	1.6
253.05090	100.0
254.05424	8.2
255.02884	1.2
271.06146	7.8
283.02579	1.0
295.22235	0.8
298.04944	2.0
312.22867	0.7
313.03949	1.6
313.07214	39.5
313.17566	3.3
313.23767	6.4
314.07614	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	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01378	0.2
65.05568	0.2
69.24801	0.7
69.25230	0.9
71.01397	0.2
77.03988	0.2
93.03466	0.3
105.70660	0.2
108.02219	0.2
121.02965	100.0
122.03301	3.4
125.09703	0.5
130.08745	0.2
143.07147	0.2
160.24913	0.2
180.05812	1.1
181.06606	4.2
182.06950	0.3
187.09749	0.6
225.05594	6.4
226.05951	0.3
254.85675	0.3
259.13559	0.2
269.08215	0.5
298.04810	0.2
312.22589	0.3
313.07193	14.4
313.20041	0.4
313.23462	0.5
314.07574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Chrysoeriol 5-methyl ether
Peak:m/z	Relative Intensity
50.23351	0.3
59.01436	1.4
63.02431	0.7
65.00388	0.4
98.19876	0.8
111.61176	0.4
117.53448	0.4
121.02967	11.3
134.06248	0.4
151.00459	0.8
161.02496	0.9
171.46623	0.4
181.06648	0.9
183.04601	0.6
211.04063	1.1
214.02914	0.5
225.05670	1.1
227.03456	0.8
229.01492	1.4
235.17378	0.4
239.03604	0.6
240.04285	2.4
241.05109	0.6
251.16574	0.7
253.05025	2.6
255.03004	49.5
256.03333	3.3
267.02985	0.5
267.11414	0.5
267.60941	0.4
268.03796	1.4
269.04547	10.7
269.09094	0.7
270.02362	0.5
270.05212	2.9
271.02472	1.0
283.02551	0.6
285.04044	0.6
297.04062	4.9
298.04849	55.2
299.01947	1.4
299.05234	3.4
313.07193	100.0
314.04352	0.9
314.07568	9.1
320.91306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
58.00592	2.7
59.01387	100.0
69.60669	7.7
71.01391	65.1
72.99313	4.9
73.02962	1.6
74.70300	1.0
75.00877	1.1
83.01402	3.2
85.02959	17.5
87.00922	2.7
88.99290	1.1
89.02456	70.4
95.01408	4.7
99.00900	1.4
101.02456	40.1
107.05028	6.0
109.02967	4.7
113.02467	23.0
118.28860	1.0
119.02651	2.0
119.03515	29.5
119.04996	1.0
131.03535	3.4
143.03490	2.0
147.04529	3.7
149.04561	2.1
151.03960	1.9
161.04535	2.1
167.14806	1.2
179.05670	2.9
184.17876	1.4
191.03484	1.9
269.08182	2.0
270.00183	1.3
313.09265	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	313.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
58.17285	0.6
59.01361	1.8
61.35784	0.6
62.13659	0.6
69.22141	5.2
71.01361	2.3
71.05009	1.9
73.02917	2.0
83.01382	0.7
83.05022	0.8
85.02939	2.7
86.03725	1.5
112.01637	1.8
120.63857	0.5
129.01927	1.3
130.02725	12.7
132.61247	0.6
133.94807	0.6
135.04483	0.6
146.89500	0.5
161.02483	1.5
167.14394	4.9
171.10342	0.9
183.13989	2.8
195.13924	14.5
196.06438	0.6
196.14284	1.0
198.03130	0.8
202.02719	1.1
207.17516	1.0
211.13391	1.7
213.14999	1.3
214.02661	1.7
223.13406	0.8
223.17068	1.3
225.18695	0.8
226.02821	1.0
227.03448	1.2
233.15408	1.0
241.17993	0.8
242.02216	1.6
249.14856	0.8
251.16524	13.2
252.16846	0.9
259.13452	0.7
269.17596	100.0
270.01718	2.6
270.17938	8.1
271.02518	1.8
277.14523	1.0
285.04080	3.4
295.15488	4.9
299.01883	3.4
313.03583	7.0
313.16611	33.3
313.20139	1.4
314.04141	3.0
314.16901	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	313.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11717	0.5
57.03458	0.7
59.01379	1.8
61.52742	0.5
69.49098	0.6
71.01374	0.7
71.02874	1.3
74.69221	0.7
81.94572	0.6
93.03458	2.2
93.07061	0.9
95.05023	0.9
96.19432	0.6
96.96021	0.6
114.37547	0.6
115.05524	0.8
119.08682	0.9
121.02971	1.3
121.10242	9.4
123.08119	0.7
139.11296	1.3
147.08189	1.7
161.09712	1.0
175.07437	1.1
191.06937	1.0
207.10060	8.0
209.07909	0.7
217.15977	2.0
221.11676	0.7
227.18109	2.7
243.17538	2.0
245.19121	24.4
246.19498	2.4
255.03036	0.9
267.23389	1.1
277.14178	0.7
283.13254	0.7
295.16760	1.8
298.04828	1.4
311.16345	3.0
313.17880	100.0
313.23840	5.5
314.18246	9.9
314.23911	0.6
330.14069	0.8
332.66370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03442	1.3
59.01389	1.0
59.81598	0.5
69.69830	2.3
71.01398	0.7
109.21858	0.5
121.02946	1.4
125.09746	1.2
127.11282	1.8
139.11324	1.0
141.12851	0.8
145.02884	1.1
155.10800	3.0
156.85208	0.5
171.10281	5.2
201.11293	2.7
207.10046	2.2
245.19044	1.1
267.23407	1.4
277.21713	1.2
283.02325	0.7
284.35611	0.5
295.22751	7.6
296.23053	0.7
298.04861	1.1
311.22238	1.8
313.03476	1.3
313.07016	0.9
313.17868	6.1
313.23862	100.0
314.24213	10.4
337.33627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01379	1.8
59.75519	0.4
69.19188	0.5
70.42162	0.5
71.05023	0.9
71.18941	0.9
83.05037	1.2
96.96032	0.7
99.08175	1.6
103.06300	0.7
121.02981	0.9
123.04520	0.5
125.09745	1.1
127.11320	2.9
139.11307	1.7
141.12868	2.2
155.10815	1.1
165.09193	0.8
169.15933	1.2
170.88383	0.5
171.10310	1.5
183.13338	0.5
199.09763	0.5
201.11354	9.9
202.11687	0.9
238.87514	0.6
277.21780	1.4
283.02432	0.6
293.21255	1.6
295.22617	6.3
298.04852	1.1
311.22333	1.0
313.03702	1.0
313.23862	100.0
314.24164	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	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.80709	0.3
57.03443	0.7
65.91592	0.4
74.95226	0.4
96.27505	0.4
98.20660	1.4
100.49772	0.4
116.53188	0.4
123.28745	0.4
129.63695	0.4
203.36926	0.4
249.22296	0.6
251.23824	67.1
252.24173	6.6
269.24881	1.7
295.22803	25.4
296.23114	2.3
313.23880	100.0
314.24210	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	313.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23986	0.6
56.36255	0.7
59.01395	0.7
75.00880	100.0
76.01230	1.2
98.20667	1.4
112.98806	1.0
114.98622	0.6
133.03085	0.7
145.02649	0.8
152.90820	0.6
163.26425	0.6
185.00760	1.3
232.03143	0.7
237.17235	0.6
255.23332	27.1
256.23618	1.5
260.95786	0.7
313.03625	1.4
313.16727	2.7
313.23883	3.9
313.27542	1.7
314.16879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66688	0.6
59.01384	8.1
59.29734	0.6
64.78374	0.7
69.69563	1.5
69.69978	2.2
81.88033	0.6
83.91116	0.7
109.62467	0.6
185.00766	1.1
201.82524	0.7
216.66635	0.7
222.71819	0.6
239.97104	0.7
251.23692	0.8
253.21725	3.2
253.25459	1.7
267.26898	1.1
271.22702	1.8
295.26535	0.9
298.04919	0.9
311.26239	0.9
313.03525	0.9
313.16766	2.8
313.24301	3.4
313.27499	100.0
314.24405	1.2
314.27878	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	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.72545	0.4
53.72955	0.4
56.56181	0.4
59.01401	2.0
71.56182	0.6
75.63644	0.4
85.02914	0.5
88.81406	0.4
94.27275	0.4
109.83537	0.4
158.96881	0.4
185.00740	0.6
236.10651	0.4
253.21655	0.8
267.25089	0.3
267.27014	3.9
271.22867	0.4
295.26450	1.2
298.04810	0.6
311.25888	0.9
313.16763	1.3
313.27512	100.0
313.99142	0.6
314.27835	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	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
54.67419	0.6
55.28456	0.6
57.03453	13.3
59.01395	0.9
69.03458	2.9
69.50239	5.3
74.99083	1.2
86.99609	0.8
91.02209	2.5
112.98785	1.1
131.27336	0.7
185.00914	0.8
251.23779	1.3
255.03186	0.8
267.26938	54.2
268.27396	4.7
283.02518	0.9
295.26257	3.3
305.00134	0.7
311.25964	1.2
313.03473	1.2
313.27502	100.0
314.27835	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	314.2706
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.14793	0.9
53.12220	1.0
59.01388	5.0
66.74901	1.0
71.55683	1.4
96.96016	1.3
107.04984	0.9
108.31940	0.9
112.64721	1.0
169.86923	1.0
172.40450	1.1
190.59496	1.0
218.94972	1.0
219.21417	1.0
268.26492	2.9
270.24536	1.6
300.02826	1.2
314.27045	100.0
314.97830	2.9
315.05313	1.1
315.19489	1.1
315.25278	6.4
315.27548	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	315.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
71.01402	2.4
74.99110	2.5
76.31969	1.5
81.09411	1.4
85.02977	1.8
86.56622	1.3
87.00888	11.5
93.91222	1.5
96.04589	3.5
97.02956	1.7
98.02524	2.0
102.98587	1.7
108.02178	11.2
109.02975	6.4
112.04058	2.4
113.45889	1.5
114.18918	1.3
116.07132	1.7
117.03460	2.3
120.99673	100.0
122.03798	1.7
130.08746	14.2
134.03758	39.3
135.04543	2.5
137.02473	3.0
143.11914	10.3
149.02477	2.2
149.06110	21.7
152.01151	6.6
153.01964	5.2
166.01462	2.7
178.02727	3.3
183.04868	42.9
184.55602	1.4
193.05101	19.5
209.12939	2.6
225.12422	1.4
227.03879	38.6
227.09285	4.0
228.04187	2.3
253.11932	7.2
269.11475	5.7
271.06470	6.5
271.13214	2.0
286.98569	2.2
297.10995	3.6
314.97827	3.3
315.05515	9.2
315.07907	2.9
315.11563	8.8
324.45541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73346	1.0
52.51489	1.0
58.99578	1.4
59.01383	1.9
60.97535	1.1
65.41152	0.9
69.32516	4.2
69.32936	2.5
71.01432	1.0
74.99089	2.6
85.02966	0.9
87.00883	19.3
89.02409	0.9
89.97809	1.7
93.03428	1.7
98.19853	1.7
101.06096	1.0
102.98584	3.4
107.01408	0.8
108.02181	4.6
109.02915	2.6
116.36949	0.9
117.03446	1.9
120.99666	10.9
121.02923	1.0
122.03711	2.9
122.40408	0.8
134.03748	36.3
135.04128	1.0
137.02419	2.2
149.05034	0.9
149.06084	6.9
150.05559	1.2
152.01120	2.8
153.01939	1.8
175.07791	0.8
178.02658	3.0
183.04851	100.0
184.05177	4.9
185.62357	0.8
193.05067	47.1
194.05388	2.4
209.06374	0.9
219.06621	1.6
227.03841	88.3
228.04164	4.5
253.05211	1.7
271.06470	18.6
272.06873	0.9
286.98373	0.9
314.97717	1.8
315.05380	29.2
315.13992	1.2
316.05630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40950	0.5
51.41214	0.6
52.66674	0.5
59.01390	0.8
63.94267	0.5
64.44640	0.6
69.46883	3.9
69.47272	1.1
71.01391	2.1
73.02952	0.8
81.03481	1.0
83.01398	0.6
85.02956	1.8
93.03477	0.9
95.01402	0.8
98.19926	1.0
101.02477	1.1
108.02184	100.0
109.02992	26.9
110.03276	0.7
113.02460	1.3
121.02941	0.9
121.75291	0.6
123.00862	1.0
123.04537	1.2
133.02962	1.2
135.04506	0.7
149.02502	0.7
151.04033	1.6
152.01175	61.2
153.01971	24.9
154.02356	0.7
163.04065	1.5
165.01950	1.9
223.87189	0.7
241.24562	0.5
294.19504	0.7
315.07242	73.3
316.07544	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.68235	0.7
67.68276	0.5
67.80357	0.6
70.67767	1.7
71.01390	1.9
73.02934	0.8
81.03495	0.7
85.02969	2.1
86.63142	0.7
95.01377	1.2
100.62589	0.6
101.02470	0.7
108.02184	100.0
109.02996	22.5
110.03307	0.5
113.02446	1.1
121.02979	1.4
123.00864	0.6
123.04530	0.7
133.02988	0.7
137.27582	0.5
151.04001	1.9
152.01172	60.1
153.01971	20.1
154.02434	0.7
163.04070	1.0
165.01945	2.0
179.38463	0.6
272.49091	0.6
292.04517	0.6
315.07248	66.5
316.07544	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.07877	0.3
59.01405	0.6
61.37799	0.3
69.69916	1.6
71.01408	1.7
71.01730	0.3
73.02966	0.6
81.03468	0.4
85.02979	2.0
93.03469	0.6
95.01402	0.9
96.11907	0.3
101.02449	1.4
108.02187	100.0
109.02991	27.0
110.03303	0.8
113.02454	0.8
121.02980	0.9
123.00885	0.8
123.04521	0.7
133.02951	0.4
135.00876	0.4
145.02867	0.3
151.04001	1.7
152.01170	62.3
153.01965	22.3
154.02287	0.9
163.04024	1.4
165.01994	2.2
181.05080	0.4
194.26642	0.3
223.74855	0.4
225.04118	0.7
247.90533	0.3
315.07245	66.6
316.07574	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	315.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03445	1.1
59.01382	2.9
67.01896	0.5
69.03460	3.6
71.01382	2.1
71.05029	2.8
71.56986	0.5
79.95702	0.4
81.03503	0.5
83.05029	0.7
85.02966	1.1
89.02433	1.0
91.04021	1.5
93.03465	0.8
97.06581	0.5
108.02187	2.9
109.02974	1.0
109.06590	0.5
110.03620	0.5
123.08213	0.8
125.09763	2.3
131.88309	0.5
134.03767	0.8
135.04529	0.8
137.02509	0.5
151.11308	2.0
152.01155	1.2
153.01904	1.1
153.12881	2.1
159.00893	0.8
161.09735	3.9
173.04558	0.6
179.10782	15.0
180.11148	0.6
183.45755	0.4
191.05592	0.6
197.11848	100.0
198.12213	4.2
223.09779	2.1
227.03885	0.5
230.99274	1.1
241.10835	18.6
242.11099	0.7
286.98425	1.3
299.99158	4.1
300.02390	0.7
314.97867	3.1
315.01437	1.4
315.07245	1.7
315.14511	36.8
315.98007	0.5
316.14816	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	315.2541
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
52.75816	0.4
58.00609	0.4
59.01371	1.0
60.28738	0.5
69.73007	1.7
95.05040	6.0
96.96041	0.6
115.30216	0.4
125.09741	1.0
127.11285	3.4
141.12859	4.5
143.10782	1.1
155.10771	0.9
157.12332	0.8
169.12291	0.5
171.10269	2.0
171.13921	1.7
201.11354	1.8
204.66000	0.4
217.07195	0.9
239.23749	0.6
246.12308	1.3
267.23312	0.6
269.24960	0.9
278.11420	6.9
279.23206	2.1
286.98389	0.9
297.24374	8.8
298.24576	1.0
299.99139	0.5
313.23825	4.7
314.97830	2.4
315.04883	0.9
315.19449	3.4
315.25415	100.0
316.25763	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	317.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73758	14.6
59.01384	45.7
63.22733	15.3
69.51833	100.0
79.14879	17.8
80.96515	23.7
85.02956	18.0
98.19849	15.6
108.02214	34.4
111.02016	32.4
112.04031	18.2
120.99667	21.5
131.02081	14.4
134.04739	15.8
150.04196	18.9
150.64400	12.2
154.05057	26.8
159.45863	12.4
189.87781	13.5
195.54942	15.7
207.24237	15.1
299.66403	16.0
317.05084	18.7
317.10345	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	318.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05892	3.8
52.16505	4.3
55.77617	4.5
59.01109	6.9
59.01387	91.5
60.13585	4.0
64.09410	4.0
70.68526	13.2
71.01398	70.4
72.99304	9.8
73.02950	9.6
74.02484	10.1
74.99092	11.5
76.27000	4.7
80.05046	11.4
81.87463	5.0
82.02995	8.8
85.02961	15.2
85.90257	4.1
89.02454	54.2
95.01385	8.1
96.04475	4.6
99.00916	4.3
100.04029	6.9
101.02450	22.6
107.03771	4.7
112.04053	15.1
112.07700	100.0
113.02473	34.4
118.39474	4.4
119.03503	22.0
120.99636	14.1
124.04066	32.5
132.13040	4.8
136.01729	4.9
136.99184	5.8
138.05585	20.3
142.05118	33.7
156.06685	33.2
161.04514	7.3
164.07118	5.7
168.06699	5.8
261.02951	4.3
318.08109	8.9
318.12009	30.4
318.15405	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	319.1402
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01877	0.7
57.03447	1.6
58.00583	2.1
59.01385	37.2
59.76114	0.5
71.01392	23.3
71.56705	0.9
72.99312	1.9
73.02958	1.4
73.59095	0.5
82.60772	0.6
82.76792	0.7
83.01389	2.5
84.02150	0.5
85.02962	6.1
87.00884	2.1
89.02451	15.3
95.01392	1.9
99.00871	0.8
101.02449	14.5
111.08170	19.5
113.02464	7.7
119.03510	6.9
119.05030	1.1
131.03589	0.7
139.07660	5.2
145.02986	0.7
146.53708	0.6
153.09203	1.3
157.08716	69.4
158.09050	3.4
161.04504	0.8
173.04526	0.9
179.05551	0.7
199.09758	2.0
225.54527	0.6
269.61444	0.6
319.14008	100.0
319.21362	3.7
320.14346	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68985	1.3
57.03451	1.2
57.84440	1.1
59.01385	100.0
59.35886	1.1
69.03466	2.2
71.01388	25.6
71.55820	1.2
71.56278	1.9
72.99325	1.6
73.02957	30.0
75.00903	1.7
79.95722	1.4
83.01410	7.3
85.02961	7.2
87.00928	1.1
89.02453	7.4
95.01419	2.4
96.97697	1.5
101.02454	20.6
109.02991	1.2
113.02482	7.6
117.17994	1.2
119.03516	1.8
120.99670	1.7
131.03526	2.2
135.04532	4.7
140.64244	1.1
145.02980	1.4
155.00203	1.8
156.99695	6.1
161.02484	3.6
161.04533	1.5
179.03499	2.5
187.04037	2.2
203.07048	1.2
223.04692	1.9
231.06644	7.7
265.96127	1.1
319.04889	1.4
319.08960	2.0
319.13660	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	319.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
58.00573	1.2
59.01386	100.0
60.01721	1.1
64.78526	0.8
69.03452	2.2
71.01390	27.1
71.55401	1.0
72.99290	2.2
73.02956	25.1
75.00856	1.2
77.78245	0.8
83.01398	8.3
83.05038	1.1
85.02962	7.0
87.00857	1.1
89.02448	5.2
93.03460	0.9
95.01389	2.4
99.00872	1.3
101.02451	20.8
109.02946	0.9
109.48373	0.8
111.84905	0.7
113.02460	9.1
119.03511	1.6
125.02457	1.2
129.01971	1.2
131.03510	1.9
134.03770	1.0
135.04572	5.3
143.03491	1.1
145.02997	1.0
146.00957	1.0
148.21394	1.0
155.00243	1.6
156.99718	6.2
159.04523	0.9
161.02425	3.7
161.04555	1.8
165.42558	0.9
179.03516	3.0
187.04024	2.9
203.07161	1.8
205.03677	1.0
213.05481	1.3
223.04617	2.1
231.06683	8.3
245.04568	1.4
271.10693	1.0
319.04718	1.2
319.08624	1.7
319.13641	3.3
319.17447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61931	0.8
58.02982	8.6
58.97273	0.8
59.01381	1.8
61.28970	0.8
63.21054	0.9
70.68276	1.9
70.68660	1.6
71.01398	0.9
72.00904	3.8
79.95719	1.6
82.06631	2.5
89.43481	0.7
89.88774	0.9
91.05545	9.3
96.96021	1.3
101.02476	1.0
105.12715	0.9
112.07678	2.8
118.06622	2.7
126.09255	1.4
129.10356	75.4
130.10683	2.3
147.04541	25.7
153.10352	3.2
154.08743	12.0
164.07179	63.7
165.07509	2.7
171.11404	56.0
172.11743	2.2
179.75363	0.9
203.00119	0.9
216.13910	1.1
233.16602	39.6
233.24185	0.9
234.16945	2.6
262.54337	1.0
275.17722	6.1
275.20496	1.0
277.15692	2.1
319.16629	100.0
320.16998	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	320.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03467	2.0
59.01385	100.0
60.01723	1.4
66.55235	0.8
70.10385	3.9
71.01389	17.6
72.99330	1.1
73.02950	3.9
74.32059	0.8
83.01387	2.1
85.02946	6.6
87.04522	3.3
89.02454	5.9
95.01347	1.3
98.19884	1.3
99.00875	2.9
101.02454	10.7
113.02457	6.6
119.03517	2.4
121.02940	1.1
129.41122	1.0
137.02467	0.9
143.03482	1.0
159.03030	2.2
161.04582	23.9
188.05675	3.0
192.88170	1.0
217.85190	1.0
229.50580	1.1
235.05272	0.9
242.05493	1.2
257.07806	1.5
260.08282	1.2
272.09995	2.2
303.13245	1.0
320.11282	2.1
321.11328	1.3
321.15482	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	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
57.03456	21.8
59.01106	1.1
59.01379	10.8
67.01891	1.5
68.99844	0.9
69.21365	2.4
69.21766	6.6
71.01397	8.4
72.99316	1.7
73.02943	2.2
75.00864	1.6
80.96567	1.0
83.01396	9.7
84.02155	2.4
85.02961	100.0
85.99472	0.8
86.03298	2.5
101.02445	5.1
111.00895	35.9
113.25301	0.9
115.07678	15.7
129.01962	38.8
130.02287	1.2
161.04565	2.4
167.31186	1.0
187.02489	0.9
205.03549	20.8
206.03745	1.2
223.04572	3.2
321.11856	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	321.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97709	1.0
55.01878	4.0
57.03456	20.7
59.01387	4.0
67.01859	1.2
68.99815	1.6
69.27964	9.6
71.01381	9.0
72.99313	2.3
73.02940	2.7
77.95412	1.1
83.01400	12.2
84.02162	1.7
85.02961	100.0
86.03302	2.2
96.88982	1.1
99.00887	1.4
101.02465	6.5
111.00892	33.4
112.01220	1.5
115.07674	16.9
129.01959	43.1
161.04561	2.1
187.02441	1.8
191.16519	1.0
191.36919	1.0
205.03552	23.7
223.04724	5.6
252.88985	1.0
259.79303	1.0
321.11838	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	321.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.8
71.01367	0.7
71.58620	0.5
85.02988	0.6
93.03461	1.1
101.02487	0.7
116.05081	0.7
117.03471	5.2
119.05039	100.0
120.04601	0.9
120.05352	3.7
130.06627	1.6
131.03754	2.3
131.04982	0.4
132.05768	2.3
144.04555	2.3
145.02969	23.3
146.03250	1.2
157.05368	1.6
158.06126	13.7
159.06483	0.8
162.05605	7.6
173.07242	0.7
174.05620	1.1
175.08775	39.5
176.09099	1.7
201.04958	1.0
201.06723	14.1
202.06915	0.6
302.60672	0.5
321.12460	81.7
322.12708	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	321.1247
Annotation	p-coumaroylserotonin
Peak:m/z	Relative Intensity
58.98565	0.3
59.01386	1.0
68.57391	0.3
69.32554	2.9
73.12038	0.3
77.53713	0.3
85.02951	0.3
91.96706	0.3
93.03477	0.7
96.96035	0.5
117.03474	5.0
117.39184	0.3
119.05041	100.0
120.04591	0.8
120.05378	4.5
121.02951	0.4
130.06631	1.7
131.03741	2.9
132.04889	0.5
132.05804	3.0
144.04556	3.0
145.02971	21.8
146.03325	1.2
146.06230	0.8
149.04315	0.9
157.05339	2.1
158.06137	14.1
159.06453	1.0
162.05635	7.0
173.07173	0.7
174.05579	0.6
175.08780	40.1
176.09132	2.5
193.03351	0.6
199.13374	0.4
201.06717	17.2
202.07028	1.1
233.12166	1.1
243.14006	0.3
321.12460	69.2
322.12790	7.9
330.11951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01386	100.0
59.23730	0.6
66.76963	0.7
68.28479	0.8
71.01392	5.4
72.99356	0.9
73.02944	0.8
83.01425	1.1
85.02966	8.4
89.02457	7.1
101.02480	3.9
111.00908	2.0
113.02475	2.6
115.07661	1.2
116.38760	0.8
119.03529	1.8
129.01949	4.0
140.30659	0.8
161.04588	0.7
171.97920	0.8
183.89906	0.7
198.90314	0.7
205.03589	1.3
233.08597	1.6
321.10144	1.8
321.15530	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	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20280	1.0
52.62651	0.9
58.02492	1.0
59.01385	100.0
60.01724	1.4
65.80800	0.9
71.01375	4.8
71.56648	2.0
73.02924	1.2
85.02951	2.0
89.02440	4.9
96.96015	1.5
101.02431	1.5
113.02461	2.3
119.03517	1.4
120.99641	1.3
134.03705	1.8
154.08432	1.0
173.04631	1.7
187.38142	1.0
276.49002	1.1
321.10162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
58.00576	1.0
58.13830	0.6
59.01384	100.0
60.01710	1.1
65.46503	0.7
71.01388	14.8
71.32192	0.7
72.69199	0.8
72.99320	1.0
83.01426	0.7
85.02975	3.1
87.00896	1.6
89.02454	18.4
96.96017	1.4
100.53826	0.7
101.02457	10.2
109.03023	0.9
113.02475	7.0
119.03515	9.3
143.03621	0.9
149.04700	1.0
160.07780	1.0
160.98927	1.0
161.04611	1.6
179.05742	1.9
233.08492	0.9
321.10172	1.0
322.13217	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	321.171
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03445	6.4
59.01375	4.7
69.03457	3.1
71.05032	11.0
71.18922	2.5
73.02960	3.9
80.02690	2.7
81.03480	8.0
83.05038	4.0
93.03472	10.6
95.01353	1.5
95.05037	71.1
96.05379	1.9
96.96008	2.1
97.06614	8.9
107.05048	12.0
108.02184	2.3
109.06602	19.7
111.04530	10.7
121.02978	9.9
121.06605	4.9
122.03748	2.1
123.04525	3.5
123.08162	9.3
125.09734	59.9
133.06618	2.4
135.04523	8.2
136.05283	3.4
137.06087	5.2
137.24350	1.5
146.75682	1.3
149.06110	15.0
151.07657	100.0
152.07973	5.0
167.07169	9.4
167.10722	3.7
169.08661	1.7
171.10284	19.9
173.23650	1.5
177.12819	1.9
178.06375	4.5
185.11845	20.3
205.12376	4.6
219.13902	2.4
221.11789	2.4
223.13367	8.9
235.13412	2.7
237.11287	4.7
237.15028	2.0
247.13396	5.1
249.11359	3.0
263.13000	2.3
265.14490	34.1
266.14856	3.1
275.16489	1.4
277.18011	1.7
279.16150	3.8
285.14847	3.0
289.17999	2.6
293.17664	3.1
303.16132	13.8
321.17123	42.2
321.20819	3.7
322.17328	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	321.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.1
59.01394	20.0
61.98827	2.3
69.25467	8.3
69.25892	11.0
71.01389	5.2
71.05031	24.9
73.02956	3.7
80.02679	3.0
81.03477	9.2
83.05049	5.1
83.24390	2.3
90.09935	1.7
93.03476	11.4
95.05040	71.5
96.96045	6.3
97.06590	10.8
98.20664	5.2
106.04239	2.8
107.05035	15.1
108.02215	3.4
109.06611	26.0
110.78218	1.9
111.04545	13.6
119.05045	3.1
121.02984	7.9
121.06633	7.3
123.04568	4.6
123.08176	9.2
125.09733	58.8
127.11343	2.5
134.03693	2.1
135.04527	14.0
136.05360	3.2
137.06111	10.9
139.11366	2.3
139.88179	2.3
148.77258	2.1
149.06117	16.5
151.07661	100.0
151.11295	3.1
152.08038	6.4
160.98776	2.2
167.07184	15.3
167.10809	4.8
169.08766	2.4
171.10298	25.1
178.06412	6.6
183.10448	3.9
183.86626	2.0
185.11877	23.6
205.12354	5.7
221.15453	2.8
223.13327	12.4
237.15025	5.5
242.08260	3.0
247.13513	6.0
249.11378	4.3
259.17206	4.4
265.14474	42.3
266.14902	3.6
266.92664	4.9
277.18079	5.5
279.16068	3.2
285.15204	4.9
293.17480	3.3
303.16119	27.7
304.16583	3.9
321.10599	3.0
321.13327	4.3
321.17172	76.3
321.20807	13.8
322.17282	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	321.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.3
59.71147	0.4
62.96356	0.3
69.49281	2.7
71.01410	0.4
96.96011	1.3
158.89328	0.4
160.98810	0.6
179.68507	0.4
198.24115	0.4
239.20193	100.0
240.20529	7.8
293.48163	0.4
321.20535	16.7
322.20938	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	321.2074
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.91990	0.8
59.01387	100.0
71.01385	1.1
72.27805	0.9
96.95483	0.9
96.96015	6.2
102.26404	0.8
103.04039	1.0
111.59930	0.8
119.05050	1.0
141.90990	0.9
245.19084	1.1
261.40204	0.9
263.85892	0.9
266.92551	1.2
277.21646	2.3
289.18106	5.4
321.17548	2.1
321.20737	52.8
322.21130	5.5
323.00662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2075
Annotation	Rapanone
Peak:m/z	Relative Intensity
56.46986	1.4
57.03449	4.1
59.01393	11.1
69.03471	2.6
71.01373	2.0
71.05025	26.2
71.55743	1.7
81.03490	8.4
83.05035	5.2
93.03490	1.5
95.05035	5.2
96.96012	3.7
97.02983	1.4
97.06609	3.5
107.05042	2.9
109.02943	6.0
109.06590	10.1
111.04537	62.7
111.08158	4.4
113.83620	1.4
119.05058	2.1
123.04549	1.8
123.08138	3.0
124.02703	1.5
125.09801	1.7
127.07647	4.6
128.10786	2.5
130.08752	17.8
137.06105	10.6
137.09734	4.1
138.69951	1.3
141.09224	3.0
149.06073	3.0
149.09760	7.8
151.07652	6.4
159.11774	3.9
167.10623	1.8
173.04478	1.7
177.12856	25.9
178.13374	1.5
185.11668	1.6
193.12344	3.0
195.13913	5.3
221.11809	2.3
231.13739	1.7
233.15497	8.2
235.13310	8.1
249.14948	5.7
265.17993	2.0
266.92740	3.3
271.16788	2.2
277.18091	2.7
289.18097	15.4
292.16739	2.8
303.15909	5.3
303.19696	4.7
306.18359	6.4
321.17157	9.9
321.20688	100.0
322.20856	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2437
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
56.53397	0.9
59.01398	6.9
62.63365	1.1
71.01401	2.1
78.95915	24.0
79.95750	3.2
80.96534	6.3
86.02478	4.3
100.04090	1.3
139.76552	1.1
160.98793	4.0
203.59204	1.1
207.17577	1.8
223.17081	13.4
224.17566	2.1
228.34644	1.1
229.31180	1.7
233.15489	1.3
240.85965	1.0
251.16521	15.0
255.31790	0.9
256.16855	2.8
284.16360	3.6
303.23297	10.2
304.23639	1.1
319.24612	1.2
321.21625	8.3
321.24451	100.0
322.24673	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	322.0934
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
57.03443	1.1
59.01385	43.1
71.01390	19.2
71.56141	1.6
71.85384	1.0
72.99324	1.5
83.01392	2.2
84.04565	13.4
85.02977	4.4
88.04057	37.8
89.02454	15.3
95.01388	1.6
96.96038	3.0
98.06133	3.0
101.02447	10.1
113.02449	7.9
116.05075	13.9
118.05151	3.3
119.03497	5.0
119.23662	1.1
123.95964	1.3
130.05121	17.2
133.03006	5.6
134.03766	3.7
135.04546	36.1
136.04962	1.9
136.24620	1.0
160.04169	22.4
160.06166	100.0
161.02481	17.4
161.04529	3.0
161.06511	2.6
179.03522	27.4
180.03876	1.1
202.05096	9.3
209.45461	1.0
232.06232	1.7
262.07236	13.0
322.05719	2.1
322.09296	19.5
323.05182	1.2
323.09415	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	322.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75245	0.6
57.03434	0.5
58.00602	1.4
59.01385	20.1
59.60300	0.5
71.01386	5.9
71.56371	0.7
72.99328	1.6
82.02988	4.2
83.01384	0.6
85.02970	1.5
89.02441	5.5
96.96037	1.1
101.02473	5.7
110.02505	0.6
113.02450	0.8
113.47752	0.5
119.03524	2.1
130.06653	1.1
135.04584	0.7
137.91954	0.6
144.06781	0.6
145.07733	100.0
146.08086	3.9
170.07280	1.3
173.07254	0.9
179.03497	0.7
188.08308	77.0
189.08664	4.2
210.10370	2.2
214.09883	31.1
215.10222	1.8
228.11339	1.7
235.10144	1.0
238.09767	0.9
256.10944	21.5
257.11368	1.1
261.12396	1.2
268.11032	1.0
279.13422	2.1
286.11954	1.0
294.51019	0.5
304.13089	3.0
305.13962	0.7
322.14075	12.3
323.14929	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	322.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01732	1.3
69.51927	4.2
71.01402	2.8
84.04553	1.8
85.02969	2.3
88.04059	2.5
88.90303	0.7
89.02451	1.8
90.26987	0.6
98.19997	1.6
101.02471	1.6
106.44247	0.6
109.68176	0.8
110.06149	1.2
113.02509	1.0
119.03539	1.0
122.06165	1.6
123.06486	0.8
128.03569	0.9
133.98343	0.7
134.03758	1.4
135.04556	3.0
137.04370	0.8
144.27931	0.7
146.04694	0.9
149.06152	0.8
160.06158	5.7
161.02504	1.5
175.08009	1.0
179.03572	1.8
183.10236	1.6
200.15240	0.8
224.38896	0.8
235.10283	0.9
260.11270	1.2
322.11423	2.8
323.11938	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	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.55457	1.0
61.73211	1.0
69.70612	2.0
69.71026	3.1
71.01386	2.2
82.11480	0.9
83.01382	1.3
85.02964	4.4
87.00860	1.0
93.03466	48.7
94.03829	1.9
96.96043	3.6
98.19891	1.6
99.04519	0.9
101.02426	1.3
113.02470	2.0
119.03510	1.1
119.04983	0.9
133.02948	1.2
135.04532	3.2
137.02457	70.2
138.02815	2.5
143.03488	2.3
145.02945	1.1
149.02367	1.1
151.04050	1.1
161.02420	1.7
161.04533	2.6
173.04570	3.7
179.03432	3.5
187.03918	0.9
187.07639	2.0
191.03502	1.6
192.13083	0.9
205.04857	1.2
211.16081	1.0
231.10294	1.5
251.07164	3.8
279.06607	2.5
281.06757	5.9
295.09180	0.9
298.11469	0.9
323.05276	5.5
323.12491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71371	0.8
57.03443	1.6
58.00607	2.1
59.01385	100.0
60.01714	1.2
62.67952	1.0
64.13308	0.9
68.99825	8.8
69.03453	2.2
71.01391	44.2
72.99322	4.9
73.02950	2.9
75.00873	1.1
78.95907	2.1
83.01390	2.4
85.02956	12.9
87.00886	3.0
89.02456	41.7
89.03014	2.1
93.03476	1.5
95.01384	3.2
96.99314	8.0
97.02974	0.8
99.00880	2.2
99.04533	1.6
101.02458	27.6
109.02950	1.1
111.00878	1.1
113.02461	15.1
119.03522	18.3
120.00877	1.4
120.99648	0.9
121.03082	1.0
129.01994	1.2
131.03528	1.7
143.03531	3.6
143.07138	2.7
145.13335	0.9
147.03023	2.1
148.00447	3.4
149.04568	1.5
159.25775	1.0
161.04552	3.5
163.02745	6.2
163.19733	0.9
169.59125	0.9
173.04510	2.0
175.04060	0.9
178.05103	6.0
179.05600	2.7
187.37721	0.8
191.05527	1.8
211.00125	1.2
263.11514	1.2
264.05185	7.6
281.12787	0.9
313.16891	0.9
323.10056	3.4
323.13495	72.1
324.07303	12.3
324.13599	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92743	0.6
52.95668	0.7
59.01387	100.0
62.86417	0.6
69.50175	2.9
69.50584	1.4
71.01389	7.3
73.02969	1.4
84.78920	0.9
85.02972	2.8
87.11021	0.7
89.02435	4.7
96.99323	0.7
99.00927	0.9
101.02436	4.4
101.06113	1.2
113.02464	4.1
119.03506	1.7
161.04608	3.8
235.62161	0.6
249.38821	0.6
263.11462	2.0
323.13516	3.1
324.07217	0.8
333.28290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	16.4
59.01387	72.7
69.75922	27.7
71.01378	8.9
71.05033	34.1
72.81832	5.9
78.40751	6.5
81.03480	5.0
83.05054	7.0
85.02977	7.7
91.01907	5.9
94.32752	5.3
95.05054	18.8
96.96032	22.4
99.26900	5.4
101.02464	6.8
109.06637	13.3
119.05051	22.8
121.02989	7.5
125.09747	18.9
135.00887	7.9
135.08168	13.6
137.09792	6.6
143.84854	5.3
161.04610	5.6
166.57024	5.8
167.10753	5.1
170.23586	4.8
170.62024	5.6
171.10312	8.7
174.26546	4.6
176.10880	7.5
177.12872	8.9
185.11829	5.2
187.11288	7.0
188.11365	4.9
189.12939	10.3
190.47310	6.4
203.06982	6.4
209.11888	7.9
211.05875	5.9
221.11732	5.8
231.13812	5.9
237.14973	42.9
243.17506	7.5
249.15034	14.3
261.18588	9.4
279.19626	7.9
287.16550	19.5
305.17599	67.9
305.21292	21.9
317.02948	5.9
323.12747	9.0
323.18607	37.0
323.22321	100.0
324.22714	8.6
329.72556	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	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
54.97754	1.3
57.03447	3.7
59.01387	15.1
62.83324	1.4
68.22294	1.5
69.03447	3.0
69.58315	9.7
71.01421	1.9
71.05023	4.1
80.02668	3.8
81.03484	4.0
83.05022	8.1
91.01923	3.0
93.03465	1.8
95.05031	5.3
96.28322	1.8
96.96030	2.9
97.02972	2.8
97.06602	53.2
98.95866	1.3
100.71812	1.4
106.04325	1.8
107.05036	1.9
107.08697	1.4
108.02200	2.0
109.05896	3.0
109.06603	38.1
110.03764	2.9
111.04507	2.0
113.02428	1.7
119.05047	5.2
120.05819	2.3
121.02950	2.2
121.06641	1.9
123.08174	6.5
125.08812	2.9
125.09735	47.6
126.10081	3.2
135.08185	19.7
136.05322	1.7
142.02876	1.8
153.24594	1.4
161.04771	1.5
161.06085	31.5
163.11328	8.9
171.10297	3.2
181.12341	5.7
185.11829	4.6
187.11259	2.6
207.10287	27.9
209.11801	6.4
217.15921	2.7
221.11845	2.0
223.13338	2.6
225.11388	21.7
243.17455	4.8
261.14984	2.6
261.18613	4.8
269.15469	4.3
277.18161	4.6
279.16037	62.6
280.11099	1.6
280.16275	5.0
287.16556	27.5
305.17606	100.0
306.17786	10.0
323.12640	2.9
323.18680	13.7
323.22147	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	323.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63459	0.9
59.01385	25.4
60.71223	0.9
64.95281	0.8
69.41690	7.4
113.48242	0.9
119.05051	3.8
132.02869	1.0
149.77286	0.9
187.11276	1.0
230.65359	1.0
241.21742	100.0
242.22105	6.7
323.12915	1.4
323.22076	20.3
324.22507	2.3
327.30237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03449	1.9
59.01382	11.7
63.46235	0.9
69.03452	1.8
70.35896	0.9
71.01387	2.0
71.05019	1.7
80.02677	2.1
81.03495	1.6
83.05038	2.0
85.02956	1.9
91.01940	1.2
93.03460	1.0
95.05027	1.7
96.96007	2.4
97.02966	1.5
97.06593	1.0
98.19699	0.8
101.02492	1.5
107.08651	0.9
109.06596	2.2
110.03749	1.1
111.08172	1.9
119.05016	5.7
119.08678	1.6
119.13866	0.8
123.04559	3.6
123.08167	6.7
125.09769	1.5
128.17429	0.9
129.59018	1.0
132.05788	1.1
135.00893	1.6
137.09766	6.1
139.11281	4.5
151.07663	2.4
151.11281	1.4
152.08484	4.5
153.09200	1.8
161.04544	1.5
163.11267	1.7
165.12941	1.1
167.10789	2.0
167.14572	1.2
171.10251	5.6
177.12909	6.5
178.13127	1.2
179.14516	0.9
185.11862	0.9
187.11267	2.9
193.12354	2.2
195.13930	13.3
197.11786	1.8
199.13440	1.6
203.07239	1.2
211.13368	3.1
221.08427	1.5
221.11852	26.5
221.15462	4.2
222.12253	1.6
229.59378	1.2
247.20782	2.2
253.12321	0.6
253.14471	26.8
254.14951	3.1
273.18604	3.6
291.19696	60.4
292.20053	4.7
305.18063	0.7
305.21225	26.7
306.21649	2.5
308.19934	7.3
323.12888	3.0
323.22293	100.0
324.22598	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	323.223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.36439	1.2
52.69925	1.8
57.03440	2.9
59.01384	13.8
69.76898	1.3
69.98714	5.7
71.01372	2.7
71.05016	7.8
72.25979	1.3
73.02954	1.3
83.05021	2.7
84.22626	1.5
85.02951	1.3
95.05051	1.8
96.96022	15.8
97.06609	3.8
98.20641	1.5
109.06568	1.5
111.08157	2.1
115.10310	1.2
117.62031	1.4
119.05040	6.2
119.08646	2.7
121.02934	1.6
121.10236	15.6
123.08138	3.2
125.09755	12.4
132.15602	1.2
135.00854	1.8
135.08151	2.4
137.09747	13.9
141.12846	1.7
149.09747	6.4
151.11247	2.1
153.09244	2.8
153.47038	1.5
154.11858	1.4
163.11266	3.0
165.01978	1.6
165.12932	1.4
171.10307	20.5
185.11850	15.5
187.11298	2.5
197.11806	5.1
201.11224	1.6
209.11856	2.6
211.13365	2.6
217.16042	3.2
221.11781	1.8
223.13399	1.7
239.12946	1.8
247.20654	2.6
273.18631	7.4
279.19730	2.5
279.23331	2.9
280.23462	1.8
291.19684	100.0
292.19818	7.3
305.13135	1.5
305.17883	2.4
305.21213	38.2
306.21619	3.6
323.12689	3.7
323.18842	5.4
323.22287	87.6
324.22629	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	323.2595
Annotation	15-HEDE
Peak:m/z	Relative Intensity
59.01389	5.3
62.27140	1.2
66.47929	1.2
69.03459	7.4
70.01369	6.5
81.79967	1.3
83.05037	3.7
85.06596	6.1
98.19947	1.8
104.53951	1.3
105.51865	1.2
114.57468	1.4
119.05054	2.7
187.11308	2.1
190.99770	1.5
277.25323	9.4
279.26959	100.0
280.27164	10.2
323.13028	2.6
323.25958	54.4
324.26233	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	324.0727
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
50.85644	0.8
57.29097	0.9
59.01386	3.1
60.25021	0.9
66.74314	1.0
68.99827	79.4
69.77034	4.9
71.01363	1.3
71.91636	0.9
73.02933	1.0
85.02989	1.1
89.02451	1.0
93.79691	1.0
96.99321	67.2
97.99653	0.9
98.19948	1.0
99.89185	0.9
101.02430	2.0
119.05051	25.7
120.00928	11.2
121.01107	0.9
133.02933	1.9
135.04565	1.1
148.00426	43.1
149.01120	1.5
150.01955	2.0
152.67201	1.0
162.01942	3.6
163.02753	44.3
163.04037	21.6
164.03572	8.4
165.04303	1.9
167.20917	0.9
177.01955	1.5
178.01523	2.9
178.05110	51.4
179.05544	2.6
180.06677	2.6
190.01459	3.7
191.02237	5.7
204.03101	1.4
205.03844	3.2
206.00932	4.2
206.04654	3.2
210.80792	1.1
218.00934	1.4
219.01680	1.1
221.03391	1.9
224.05666	1.7
232.02516	1.3
233.03186	5.4
234.00642	1.6
234.04082	3.5
236.05652	11.2
237.06229	1.5
249.02965	1.0
264.05161	55.7
265.05487	4.9
294.02609	1.4
294.24081	1.1
309.04700	4.6
324.07272	100.0
325.07379	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	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.50135	0.4
59.01391	0.6
69.72788	2.8
93.03474	1.0
98.20001	0.8
117.03509	0.6
119.05042	100.0
120.05381	4.0
133.03081	0.6
145.02972	2.4
156.41296	0.4
163.04027	72.3
164.04333	3.0
219.94530	0.4
259.87003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1447
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.50206	0.7
57.03443	0.8
58.93922	0.7
59.01390	3.8
60.32642	0.6
61.10171	0.6
67.27409	0.7
69.03444	0.7
69.47943	4.9
71.01401	1.5
71.34184	0.7
73.19612	0.6
83.05029	0.8
84.02169	1.1
96.96068	1.6
97.06578	1.6
100.51140	0.7
108.02201	1.1
109.02952	2.9
111.08178	0.8
117.03539	0.7
121.02932	3.2
122.03757	1.2
123.04566	1.8
123.08162	1.5
125.09731	9.7
127.11276	1.4
131.04999	0.8
133.02969	0.8
134.03757	33.7
135.04472	2.5
137.09723	5.0
139.11298	0.7
145.02966	11.1
146.03773	1.0
147.04573	2.8
149.06097	53.1
150.06487	1.6
155.10782	1.5
159.04541	0.8
161.06093	0.9
163.11371	0.7
171.10304	3.8
173.06085	3.8
174.06920	2.2
176.46971	0.7
185.11874	2.2
186.09488	0.8
197.11835	0.8
201.11334	3.9
209.11893	2.2
225.09207	1.9
227.12883	2.1
229.14572	0.9
233.09680	0.8
239.10767	1.7
245.19080	1.1
249.09213	7.5
250.09497	0.9
251.07166	1.0
252.08083	1.2
253.08604	0.9
254.05827	2.2
262.06378	1.5
263.07013	1.3
263.20334	0.9
265.05051	1.4
265.08749	0.8
266.05829	2.0
266.09335	0.9
267.10306	3.4
277.08713	11.8
278.09366	5.7
279.06750	1.3
279.10013	1.5
280.07428	7.1
281.58817	0.9
289.18063	2.3
291.10269	1.4
293.08273	2.7
293.11728	1.4
294.09009	10.5
295.09772	64.3
296.10172	5.9
307.19159	11.3
308.19510	1.1
309.11383	15.5
310.12112	76.2
311.12430	9.5
325.14487	100.0
325.20059	7.8
326.14789	12.2
326.20691	0.8
342.11172	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	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98854	1.1
64.77391	0.7
65.15531	0.7
70.10765	1.1
70.11138	2.4
71.01390	7.3
73.02972	2.0
83.01431	0.9
85.02971	2.5
89.02470	2.0
99.00948	1.0
101.02496	3.8
113.02470	2.1
119.05042	43.6
120.05399	1.9
133.03062	1.0
148.63710	0.6
160.04118	1.0
160.14662	0.7
161.04604	4.4
162.05690	1.8
163.04030	34.0
163.06114	1.3
164.04417	1.9
199.40144	0.7
265.12946	6.6
304.84570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69551	1.5
55.13359	1.6
56.79855	1.7
57.03461	9.3
59.01374	7.1
69.03450	5.9
71.01375	6.0
71.03905	3.0
71.05032	8.8
72.99349	1.6
73.02950	2.2
73.92606	1.5
80.02707	3.5
81.03446	2.3
83.05042	8.5
85.06611	2.1
87.04495	3.4
89.28514	1.6
91.05580	2.4
95.05041	4.0
97.02972	7.1
97.06589	5.2
105.07084	1.8
109.06598	36.1
118.98842	1.6
123.08148	1.8
125.06083	2.6
127.07634	1.9
133.07907	1.7
151.11266	1.9
153.12910	2.5
167.10837	3.0
169.12323	8.3
171.10207	5.0
177.12791	1.8
181.12360	5.4
183.10170	2.2
183.13934	4.4
185.11769	2.0
193.12326	3.1
197.11841	77.8
198.12161	2.7
199.13365	6.4
200.51968	1.9
201.11365	3.2
209.11880	4.9
211.13387	44.4
212.13690	3.2
213.11336	2.7
219.13939	2.3
223.13559	2.0
227.12946	4.3
235.13425	5.5
237.15063	6.6
244.81027	1.9
249.14999	4.8
251.74570	1.7
289.18115	5.7
307.19189	9.7
321.28995	1.8
325.20206	100.0
326.20676	11.2
338.22766	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
62.42390	1.5
69.03453	2.9
70.84013	3.0
71.01385	5.0
71.05029	7.0
81.03458	2.0
83.05034	9.5
84.02183	4.1
85.02929	1.8
87.94092	1.4
95.05031	5.2
97.06580	4.1
99.08144	4.3
106.04231	1.8
109.06564	2.9
111.08104	1.6
112.05311	2.2
115.07687	2.9
121.06657	1.6
123.04515	2.4
123.08170	5.9
124.95020	1.6
125.09735	7.9
127.07684	15.8
135.08159	7.8
137.09756	2.4
137.44891	1.4
138.06828	1.5
139.07652	2.7
141.09203	2.0
153.09233	17.3
155.10779	2.7
163.11349	4.5
165.12863	3.4
171.10300	30.0
172.10591	2.4
178.10011	4.3
179.10631	1.7
185.11839	19.1
191.10858	1.9
197.11865	18.3
201.11378	2.7
201.60001	1.6
207.10194	2.1
209.11841	78.4
210.12196	6.7
211.13422	2.4
227.12878	2.0
235.13496	2.5
236.10519	2.2
237.15073	2.8
238.12096	6.7
245.19221	2.4
256.13300	3.7
279.19595	3.0
289.18213	11.2
307.19171	100.0
308.19644	11.2
325.20236	50.3
326.20538	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.0
58.00599	3.4
59.01386	2.6
69.03458	1.2
70.71926	3.5
70.85197	1.0
71.05009	1.7
73.02952	2.1
80.02697	1.8
83.05023	2.0
84.02172	2.6
87.04509	2.4
90.63217	1.0
97.06607	4.8
109.06587	1.5
110.03758	1.5
111.08176	30.6
123.08183	5.2
124.88893	1.1
125.09739	35.0
127.11319	15.6
133.53969	1.1
135.08188	2.5
137.09740	11.3
139.11310	2.1
139.49008	1.1
141.09280	1.6
151.11327	5.3
153.09258	6.2
155.10786	6.3
164.08403	2.6
165.09236	6.3
167.10715	1.1
169.12436	1.5
171.10303	20.6
177.09312	1.6
183.10277	2.0
195.10258	5.4
199.09766	3.7
201.11346	100.0
202.11671	4.7
209.11810	1.9
213.11343	61.6
214.11641	3.8
223.99501	1.3
245.02434	1.2
245.19073	2.8
268.97461	1.2
271.16998	1.3
289.18121	28.2
290.18399	3.5
307.19177	51.8
308.19601	3.1
325.20224	94.6
326.20584	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61847	3.0
57.03451	3.8
58.00588	7.9
59.01384	16.7
64.58995	2.4
65.77056	3.0
69.03472	3.1
69.55091	8.5
69.55504	8.7
71.01382	12.9
71.05012	6.3
73.02938	3.6
80.02686	3.8
80.16736	2.7
83.05025	4.2
95.05022	4.5
97.06567	4.4
102.18013	2.7
109.06582	5.0
111.08170	43.6
118.51594	2.7
123.08173	21.1
125.09711	10.5
127.07647	7.0
127.11288	7.5
135.08173	9.1
137.09741	6.4
139.11179	3.7
141.09219	4.4
151.11293	4.4
153.09196	10.9
155.10794	9.5
165.12823	3.7
167.10796	10.7
167.14508	4.3
169.12343	5.2
171.10269	64.4
172.10550	6.0
183.10246	10.1
185.11829	49.4
186.12263	3.7
191.14459	6.1
195.10246	5.6
197.11832	32.5
199.13437	10.6
201.11342	64.6
207.10240	3.5
209.11864	23.2
211.13445	6.2
213.11349	16.7
215.12852	3.7
227.12917	18.8
235.13310	6.1
238.12027	5.6
245.19080	5.5
254.36469	3.4
263.20346	3.7
289.18127	13.4
307.19168	41.4
325.20218	100.0
326.20535	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	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03458	5.0
59.01387	5.5
61.98820	1.3
69.03445	1.2
70.10918	3.7
71.01389	1.3
71.05033	3.1
73.02945	1.2
76.33581	1.0
80.02695	5.6
81.03513	1.4
83.05037	2.2
84.02180	8.1
85.02962	1.1
95.05034	1.0
96.95985	1.0
97.06594	9.0
98.19939	1.5
111.08212	1.9
113.09733	1.9
119.08633	1.1
123.08150	6.0
125.06109	1.3
125.09738	79.6
126.10064	4.4
127.11292	3.0
135.04535	1.0
135.08278	1.0
137.09743	39.9
138.10088	1.1
151.07651	1.5
151.11331	1.3
153.09193	6.2
155.10826	10.9
161.50162	1.0
163.06192	1.3
164.08464	1.8
165.12897	1.1
169.08723	1.6
171.10281	6.5
185.11819	1.0
187.09685	2.7
201.11353	2.9
209.11905	9.3
211.13190	1.0
213.11304	1.8
227.12912	4.0
250.12260	1.2
253.18204	2.0
263.20316	1.6
279.19678	3.2
281.21133	3.6
289.18234	9.6
297.20538	1.1
307.19189	100.0
308.19476	9.7
325.16629	1.6
325.20261	22.5
325.23950	1.3
326.20752	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.81575	1.0
57.03449	5.4
59.01386	5.4
69.03453	0.8
71.01389	2.3
71.05016	2.8
71.55916	1.4
73.02916	0.9
80.02682	6.5
81.03449	1.2
81.66562	0.9
83.05042	4.0
84.02184	7.4
85.06597	0.8
95.05054	1.7
97.06608	11.3
109.29874	0.9
113.09747	2.2
115.07631	1.1
121.02955	0.9
123.08186	5.0
125.09739	71.5
126.10051	2.4
127.11295	3.4
130.40982	0.9
135.08087	0.9
137.09743	37.8
138.10056	1.4
139.11334	1.7
141.09235	1.4
151.07706	1.1
153.09209	1.9
153.12828	1.1
155.10805	10.7
163.06174	1.1
163.11212	1.6
164.08484	2.0
167.14461	0.9
169.08672	1.6
171.10283	5.5
183.01183	1.5
183.10252	0.8
187.09750	2.0
193.15942	1.0
199.09790	1.1
201.11334	2.4
209.11841	10.7
213.11411	1.0
215.12860	2.2
227.12860	3.5
249.18558	1.2
253.18213	1.2
255.19806	0.9
263.20120	1.0
268.23080	1.0
269.21024	0.9
279.19632	2.8
281.21228	3.8
289.18103	8.5
297.20773	1.5
307.19183	100.0
308.19568	10.9
325.20132	19.1
325.23895	11.6
326.20587	1.6
337.42871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.8
59.01386	2.3
71.01385	4.5
71.05029	1.5
80.02689	2.9
81.03487	2.2
83.05030	10.4
84.02183	4.2
84.83497	1.4
85.03011	1.8
88.98773	2.0
95.05004	2.2
97.02953	2.0
97.06598	4.9
99.08159	4.3
111.08157	1.9
115.07690	3.1
125.09754	4.9
127.07648	11.5
135.08278	1.8
139.07689	3.0
155.10822	3.2
157.08669	1.7
163.11310	6.2
165.12842	4.2
171.10242	4.4
178.10008	2.2
185.11824	12.5
191.10841	2.2
197.11850	16.3
209.11838	100.0
210.12186	6.7
211.13406	2.2
223.13298	1.7
227.12888	3.6
238.12099	5.9
245.19122	2.5
256.13159	2.3
289.18106	7.0
307.19162	78.0
308.19543	6.7
325.20206	36.4
326.20593	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24621	0.9
57.03451	4.0
58.00603	4.1
59.01390	4.3
60.34374	0.9
67.90999	1.0
70.62083	3.0
71.01368	1.3
71.05043	1.4
73.02958	7.1
73.48536	1.1
80.02678	1.3
83.05025	2.2
95.05049	2.0
97.06593	12.0
111.08205	1.0
113.06104	2.3
115.07688	3.8
120.34134	1.0
121.50517	0.9
123.08182	5.7
125.09744	70.9
126.10096	2.8
127.07650	3.8
127.11317	4.0
137.09764	2.0
139.11282	1.0
141.09245	61.8
142.09541	2.2
151.11340	5.9
153.09215	2.0
153.12862	6.1
155.10802	3.5
155.14305	1.1
163.11226	1.1
165.09367	1.2
165.12881	1.8
168.67690	0.9
169.08728	2.2
169.12352	1.4
171.10286	5.3
171.13898	1.3
173.24245	0.9
181.12428	3.0
183.10190	1.1
183.13943	2.7
187.09795	9.7
195.10283	1.2
197.11870	13.6
199.09714	1.5
199.13431	31.5
200.13800	1.6
201.11351	52.8
202.11729	3.2
209.11879	6.7
210.12195	1.1
211.13396	2.0
215.12914	5.5
227.12920	100.0
228.13217	7.6
229.14470	18.0
230.14735	1.4
245.19141	1.6
263.20197	6.4
267.19678	1.4
269.21002	1.6
281.21310	2.2
284.02634	1.1
289.18137	5.9
297.20721	9.4
307.15668	1.3
307.19171	26.3
308.19611	2.5
325.20239	20.0
326.20639	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	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03457	20.6
59.01393	50.4
69.03477	18.9
70.87347	20.7
76.61421	9.6
80.02683	11.4
83.01398	14.8
83.05037	18.5
85.02940	11.5
95.05054	12.0
97.06615	30.9
123.04530	12.5
123.08205	18.4
125.09746	100.0
128.13829	8.0
135.08136	10.9
137.09753	42.1
155.10776	11.4
163.11290	21.4
165.12868	11.2
167.10764	32.4
185.11842	22.0
207.10342	25.3
209.11815	41.6
213.15364	8.7
225.11380	11.3
227.12627	11.0
289.18118	16.5
307.19214	84.2
325.11417	9.4
325.20279	19.9
325.23895	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	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.42517	0.4
59.01400	1.1
59.05870	0.3
61.98832	0.7
63.52535	0.4
69.64200	2.5
79.95762	0.5
83.50471	0.4
98.19987	0.9
108.33746	0.5
108.35506	0.5
119.05024	0.6
129.66783	0.4
149.09734	92.2
150.10072	4.8
163.11302	100.0
164.11618	6.0
183.01210	18.2
184.01958	2.9
197.02838	0.9
216.00986	0.9
265.25391	1.2
281.28580	0.4
307.26416	0.9
325.18335	33.5
325.21735	84.6
325.27139	6.2
326.18683	3.1
326.22079	11.3
326.27805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
55.25621	0.4
57.03449	0.9
59.01387	0.8
71.26732	0.5
71.27055	0.5
78.34682	0.3
79.95741	0.6
91.31334	0.4
92.49963	0.4
104.05058	0.4
111.17246	0.4
119.05043	0.5
149.09746	0.4
161.42070	0.3
161.54053	0.4
170.00465	0.6
183.01230	29.0
184.01984	4.6
197.02803	1.1
216.00967	2.2
225.06036	0.4
253.09370	0.4
265.25262	1.7
281.28531	0.9
325.18484	60.3
325.27469	100.0
326.18744	7.3
326.27820	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	327.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
59.01388	0.1
62.49743	0.1
63.02403	0.2
65.00333	1.5
65.03976	0.1
67.01910	0.2
68.99834	0.2
69.03453	0.3
75.19139	0.1
77.03979	2.1
79.01900	1.7
81.03461	0.7
83.01402	1.1
85.02917	0.1
89.03999	0.2
91.01890	0.1
91.05549	0.3
93.03472	1.3
95.01398	0.4
95.05042	0.4
97.02963	1.7
99.00069	0.1
103.05582	0.1
104.02685	0.1
105.03468	1.1
107.01396	1.7
107.05042	0.2
108.02192	0.2
109.02220	0.2
109.02963	3.5
109.03694	0.2
110.03316	0.2
117.03448	0.4
117.62873	0.1
119.05044	2.9
120.05399	0.1
121.02977	3.4
123.00912	0.7
123.04537	0.4
124.01704	0.1
125.02461	2.9
126.02804	0.1
131.01460	0.3
131.04973	0.1
132.02180	0.9
133.02974	27.4
134.03397	1.0
135.00905	0.3
135.04536	3.5
136.01666	0.1
136.04843	0.2
137.02464	1.0
139.04004	0.2
143.05013	0.4
145.02950	0.7
146.03723	0.2
147.00932	0.2
147.04538	2.0
148.01683	0.8
148.04921	0.1
149.02458	2.3
150.03117	0.1
151.00403	0.6
151.04012	0.8
153.21103	0.1
157.06665	0.1
158.03632	0.1
159.04584	0.1
161.02463	0.9
162.03224	0.2
163.00418	0.8
163.04028	6.7
164.01173	0.4
164.04381	0.3
165.01950	3.2
166.02319	0.2
167.03601	0.1
167.04994	0.2
169.06467	0.2
170.03726	0.1
170.39595	0.1
171.04552	0.4
172.05350	0.2
173.02487	0.7
173.06052	0.1
174.03232	0.4
175.00357	0.3
175.04019	4.1
176.01131	0.3
176.04442	0.2
177.01965	0.7
179.03479	0.1
180.05830	0.1
181.06668	0.1
183.04427	0.4
183.08157	0.3
184.05307	0.1
185.02344	0.1
185.06120	0.6
187.03996	0.4
187.07651	0.2
188.04727	0.2
189.01891	0.5
189.05582	0.2
190.02780	0.2
190.99911	0.2
191.03525	3.1
193.01460	2.9
194.01819	0.1
195.04507	0.3
196.05249	0.3
197.02463	0.1
197.06076	0.3
198.03197	0.7
198.06915	0.1
199.04027	2.0
199.07637	0.4
200.04742	0.4
201.01942	1.6
201.05586	0.2
203.07056	0.1
209.06073	0.6
211.02110	0.1
211.04007	1.2
211.07599	0.7
212.04774	0.9
212.54686	0.1
213.02216	0.1
213.05594	2.0
214.02768	0.1
214.06020	0.2
215.03500	0.3
216.04375	0.1
217.01479	0.1
217.05049	0.4
223.04013	0.2
224.04745	0.2
225.05591	0.8
226.02686	0.3
226.06293	0.2
227.03574	0.7
227.07114	0.8
228.04274	0.2
229.05144	0.5
231.06665	0.7
235.04005	0.1
237.05502	0.7
237.09285	0.1
238.06401	0.1
239.03586	0.4
239.07156	0.1
240.04295	1.7
241.05096	1.0
242.02296	0.5
243.02963	0.5
243.06572	0.2
251.03604	0.1
253.05124	1.0
254.05635	0.4
255.03096	0.5
255.06622	1.2
256.03809	1.1
257.04556	0.5
259.06088	0.3
265.05228	0.1
265.08752	0.2
266.02222	0.2
267.02921	0.1
268.03482	0.1
269.04593	0.4
270.05206	0.3
271.06094	0.6
281.04501	0.9
282.05331	0.2
283.02542	0.4
283.06219	0.3
283.09726	0.1
284.03290	14.1
285.03674	1.3
297.04095	2.1
297.07098	0.1
298.04843	5.3
299.05618	23.8
300.05966	2.1
309.04092	0.7
325.03619	0.2
327.05118	100.0
328.05457	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	327.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
56.81558	0.1
59.01388	0.2
62.01173	0.1
63.02400	0.3
65.00336	1.4
67.01904	0.2
68.99817	0.2
69.03461	0.4
75.13548	0.1
77.03981	1.9
77.81229	0.1
79.01904	1.8
81.03460	0.9
83.01392	1.2
85.02932	0.2
91.05547	0.3
93.03475	1.2
95.01401	0.4
95.05051	0.4
96.99377	0.2
97.02953	1.6
98.20668	0.2
103.05572	0.2
104.02675	0.1
105.03467	1.4
107.01400	1.6
107.05038	0.3
108.02263	0.1
109.02967	3.8
110.03261	0.1
113.02427	0.1
117.03486	0.3
117.47519	0.1
119.01461	0.1
119.05035	2.5
120.05386	0.1
121.02967	4.0
123.00906	0.7
123.04536	0.4
125.02457	2.8
126.02800	0.1
131.01387	0.3
131.05055	0.2
132.02176	0.8
133.02971	27.1
134.03394	0.9
135.00897	0.4
135.04543	3.8
136.01633	0.2
136.04839	0.1
137.02455	1.0
139.04034	0.1
141.07149	0.1
143.05022	0.3
145.03008	0.6
145.06607	0.1
146.03714	0.2
147.00929	0.2
147.04526	1.9
148.01657	0.8
148.04918	0.1
149.02451	2.3
151.00398	0.6
151.04037	0.9
157.02974	0.2
157.06578	0.2
159.04584	0.2
161.02452	1.0
161.06059	0.1
162.03230	0.2
163.00395	0.8
163.04033	6.6
164.01195	0.3
164.04355	0.4
165.01941	3.4
166.02217	0.1
169.06641	0.2
170.03720	0.1
171.04491	0.5
172.05348	0.2
173.02469	0.9
173.06067	0.2
174.03185	0.4
175.00458	0.5
175.04002	4.5
176.01192	0.3
176.04372	0.2
177.01917	0.7
181.06607	0.1
183.04524	0.4
183.08109	0.2
184.05254	0.2
185.02325	0.1
185.06105	0.6
187.03995	0.3
187.07658	0.2
188.04678	0.1
189.01938	0.5
189.05591	0.2
190.99792	0.2
191.03508	3.2
192.03822	0.2
193.01431	2.7
195.04547	0.3
196.05251	0.2
197.06088	0.4
198.03273	0.7
199.04050	2.1
199.07616	0.5
200.04602	0.4
201.01927	1.7
201.05658	0.2
202.02420	0.1
203.03363	0.1
203.07228	0.1
209.06076	0.5
210.06927	0.1
211.04053	1.3
211.07759	0.6
212.04785	1.0
213.02077	0.1
213.05589	1.8
214.02885	0.2
215.03563	0.2
217.05112	0.5
225.05588	0.7
226.02750	0.3
226.06340	0.4
227.03629	0.7
227.07103	0.9
228.04309	0.3
229.05063	0.5
231.06636	0.7
237.05588	0.6
238.06291	0.1
239.03548	0.5
239.07149	0.1
240.04326	1.4
241.05095	1.1
242.02258	0.4
242.05524	0.1
243.02925	0.7
243.06720	0.4
251.03932	0.1
253.05060	1.1
254.05782	0.4
255.02942	0.5
255.06680	1.3
256.03766	1.1
256.06509	0.2
257.04568	0.5
259.06082	0.3
265.05051	0.3
265.08655	0.2
267.03027	0.2
269.04654	0.6
270.05331	0.2
271.06216	0.8
280.03806	0.1
281.04614	0.9
282.05234	0.2
283.02530	0.3
283.06012	0.2
284.03278	13.9
285.03647	1.4
297.04080	2.1
298.04837	5.3
299.05618	24.6
300.05948	2.1
309.04089	0.7
327.05109	100.0
328.05460	9.2
328.08542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.6
57.03456	10.4
59.01397	6.2
61.30100	1.1
62.46695	0.9
68.84279	0.9
69.84446	3.4
69.84856	2.4
71.01377	6.6
72.99319	1.7
73.02956	1.6
75.00878	9.2
83.01385	3.7
85.02962	49.2
87.00883	16.5
89.02460	1.9
98.20555	1.4
99.00886	3.7
101.02471	4.9
105.01948	19.4
107.05043	1.2
111.00907	10.5
113.10772	1.3
117.02010	1.0
119.05116	1.0
121.02979	8.8
129.01958	22.8
134.03754	2.1
135.03491	1.9
135.04536	31.8
136.04863	1.4
147.03020	4.3
147.04515	14.7
165.04062	100.0
166.04468	1.9
166.56622	1.1
177.55469	1.1
179.02074	2.0
179.03517	21.1
205.03511	8.2
327.07236	4.1
327.10730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
55.14927	1.1
57.03457	20.8
59.01391	8.7
67.01891	2.6
69.49461	2.4
69.49866	7.9
71.01389	11.1
72.99316	2.5
73.02969	2.5
75.00876	6.5
75.04684	1.3
83.01410	8.4
84.02164	2.7
85.02962	100.0
86.03317	2.3
87.00886	5.4
89.02451	4.1
95.67487	1.3
98.20646	2.3
99.00900	4.3
99.99548	1.2
101.02458	9.9
105.01950	6.9
111.00899	25.7
113.02624	1.1
119.03523	1.5
121.02979	21.4
129.01962	39.0
134.03780	1.7
135.04533	9.2
147.03300	2.5
147.04532	25.3
148.04781	1.6
161.04561	3.8
163.04019	1.5
165.04066	38.6
165.05460	2.6
177.04044	1.1
179.03522	7.0
187.02493	1.3
204.82141	1.4
205.03571	15.3
244.13666	1.3
296.29486	1.5
321.84885	1.3
334.82071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65442	0.9
55.01871	4.4
57.03196	1.5
57.03457	21.7
59.01377	3.2
67.01878	1.4
69.34188	4.1
69.34606	4.5
71.01406	7.1
72.99322	2.6
73.02948	3.9
75.00871	1.9
83.01392	6.9
84.02161	2.5
85.02965	100.0
86.03285	1.3
91.63516	1.0
101.02435	4.1
111.00902	21.6
117.43084	1.4
118.30076	1.0
118.71084	1.0
121.02982	20.3
129.01961	36.1
161.04544	3.5
161.93153	0.9
177.04097	1.1
204.06123	1.0
205.03572	12.9
228.40678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
57.03458	18.7
59.01375	4.8
67.01892	2.0
71.01389	11.0
71.09801	2.1
72.99304	2.7
73.02943	4.3
75.00863	7.1
81.54559	1.2
83.01387	9.0
84.02168	3.1
85.02962	100.0
86.03310	2.1
87.00890	10.9
89.02440	2.0
93.03468	4.4
97.02885	1.3
97.58028	1.3
99.00919	2.9
101.02463	5.9
105.01940	5.3
111.00896	24.8
121.02966	17.5
129.01959	40.5
130.02267	2.1
134.04649	1.6
135.04532	12.8
147.02992	2.2
161.04510	2.9
165.04060	33.0
170.88615	1.4
179.03481	5.0
185.19745	1.2
191.05589	2.8
205.03520	16.3
214.59824	1.3
235.68593	1.3
327.09555	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	12.7
59.01386	25.6
61.84984	2.9
61.89600	3.1
70.74988	11.3
71.01401	11.2
72.18861	3.1
73.02996	4.1
75.00889	19.4
78.95934	5.9
83.01424	7.9
84.02181	3.9
85.02960	78.9
86.66276	3.6
87.00887	18.5
89.02461	3.1
93.03465	8.1
96.97000	6.0
99.00928	6.7
101.02460	9.6
105.01965	13.4
111.00905	17.0
119.05028	6.9
121.02962	21.9
129.01956	32.6
135.04587	24.6
147.02971	5.3
147.04565	10.0
149.02425	6.2
150.03235	8.5
163.04021	6.3
164.04588	4.5
165.04094	100.0
165.05565	14.8
179.03535	19.0
204.41031	3.0
205.03578	11.6
252.67299	3.2
327.08475	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50082	0.3
55.60748	0.3
59.01368	0.7
65.00326	1.4
67.37644	0.4
69.03458	0.4
69.41640	2.5
77.03974	2.0
79.01898	1.9
81.03471	0.8
83.01389	1.1
85.02940	0.7
93.03468	13.0
94.03793	0.6
95.01411	0.4
95.05018	0.4
96.99339	2.2
97.02962	1.6
105.03474	1.0
107.01385	1.7
107.05033	0.4
108.02216	0.9
109.02977	4.7
113.02458	0.4
114.05729	0.3
117.03477	1.6
119.05043	11.9
121.02968	3.8
123.00934	0.5
123.04556	1.9
125.02465	2.5
130.04256	0.9
131.05054	2.8
132.02174	1.2
133.02969	29.4
134.03761	0.7
135.04550	4.5
137.02449	1.3
143.05045	10.4
145.02986	2.9
147.04535	2.5
148.01659	1.1
149.02480	2.3
151.00313	0.6
151.04004	1.0
158.03717	0.5
159.04527	0.6
161.02458	1.2
163.00414	0.7
163.02757	0.7
163.04036	10.9
164.04359	0.5
165.01974	3.3
165.04056	0.5
171.04459	1.7
173.02483	0.7
174.03267	0.6
175.00449	0.4
175.04012	4.0
177.01959	1.1
183.04594	0.4
185.06105	0.5
187.04016	0.6
189.01961	0.5
189.05641	0.8
190.02866	0.4
191.03532	3.2
192.03700	0.3
193.01385	3.2
195.04486	0.5
198.03159	0.7
199.04065	2.1
199.07701	0.4
200.04610	0.4
201.01926	1.3
209.06042	0.6
211.04037	1.1
211.07687	2.5
212.04768	1.0
213.05653	1.8
217.05055	0.7
223.07639	0.5
225.05542	0.9
227.03502	0.6
227.07246	0.9
229.05107	0.6
231.06548	0.6
235.07732	2.4
237.05579	0.4
237.09210	3.8
239.07103	0.4
240.04285	1.5
241.05078	1.2
253.05046	1.2
254.05862	0.6
255.03076	0.6
255.06676	1.4
256.03760	1.2
263.07159	0.4
265.08716	10.4
266.09106	0.6
269.04407	0.6
271.06219	0.4
281.04736	0.7
283.02768	0.5
283.06219	0.4
283.09680	0.5
284.03290	13.1
285.03610	1.1
297.04129	2.2
298.04794	5.1
299.05627	24.3
300.06052	2.2
309.04266	0.8
309.07693	2.8
327.05087	100.0
327.08786	34.7
328.05426	8.6
328.09085	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	327.0876
Annotation	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.37045	0.4
55.40747	0.4
56.66814	0.5
59.01368	1.7
60.07666	0.5
61.34188	0.4
64.25455	0.4
65.00336	1.1
68.99832	0.6
72.86395	0.5
75.30804	0.4
77.03979	2.4
79.01889	1.7
79.52020	0.5
81.03440	0.9
83.01395	1.2
85.02942	1.1
90.82621	0.5
93.03462	23.8
95.04991	0.5
96.99310	5.3
97.02955	1.4
104.77193	0.5
105.03406	1.1
107.01394	1.4
108.02172	2.5
109.02966	3.3
117.03498	2.5
119.05038	21.6
120.05340	0.7
121.02951	4.0
123.04546	5.0
125.02473	2.7
125.30576	0.5
130.04195	1.4
131.05040	5.0
132.02228	0.7
132.05782	0.5
133.02968	30.1
134.03244	0.6
135.04536	3.3
137.02435	2.0
143.05035	17.3
144.05363	0.6
145.02977	4.1
145.06577	1.0
147.04529	2.7
148.01686	0.8
149.02449	3.0
151.03996	1.3
159.04535	0.8
161.02507	0.7
163.00392	0.7
163.04027	15.7
164.04344	0.7
165.01955	2.9
171.04510	3.3
173.02402	0.6
174.23430	0.5
175.00343	0.8
175.04034	4.4
177.01909	0.8
181.06828	0.5
183.04625	0.5
185.06027	0.5
191.03510	2.7
193.01393	2.0
198.03246	0.9
199.04019	1.5
199.07713	0.5
201.01892	1.5
209.06049	0.8
210.06731	0.7
211.04031	1.3
211.07646	5.7
212.04697	1.0
213.05554	1.9
219.08134	0.7
221.09528	1.0
222.06729	0.8
223.07629	1.5
225.05574	0.8
227.03456	0.9
227.07060	1.0
231.06558	0.7
235.07590	3.9
237.05565	0.8
237.09222	5.6
238.09450	0.5
239.10797	0.6
240.04210	1.1
241.05081	1.3
243.06659	0.6
247.07819	0.7
254.05707	0.6
255.03064	0.5
255.06569	1.1
256.03699	0.8
257.04419	0.6
263.07111	0.7
265.08725	17.1
266.08975	1.6
281.04504	0.8
281.08221	0.6
283.06110	0.5
283.09814	1.4
284.03302	13.1
285.03549	1.4
297.04099	2.2
298.04828	5.2
299.05618	22.7
300.05829	2.4
309.04346	0.9
309.07675	5.7
327.05048	100.0
327.08740	66.9
328.05356	8.9
328.09079	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32260	4.1
59.01384	43.6
62.51842	4.7
66.99030	4.7
69.44881	8.8
69.45293	25.3
71.01393	100.0
72.99299	20.6
73.02966	5.0
75.00877	11.4
87.00882	53.9
89.02448	26.4
90.65324	4.5
92.18256	4.1
98.20595	10.5
101.02470	7.9
105.01959	7.5
113.02426	6.6
115.00378	21.6
119.03506	4.8
129.01892	13.5
135.04546	24.6
147.03018	70.2
148.03333	6.0
165.04070	72.4
179.03491	11.9
228.97600	8.5
246.49759	5.7
276.81567	4.7
327.09189	17.8
329.64890	5.0
338.65927	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	327.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03452	9.2
58.00591	1.4
59.01386	40.7
71.01389	23.7
71.55302	1.8
72.99312	5.5
73.02951	2.9
75.00877	2.6
81.64408	1.0
83.01381	5.4
84.02177	1.7
85.02963	53.6
86.03300	2.7
86.32623	1.2
87.00904	2.3
89.02451	18.9
93.03479	1.6
95.01406	1.9
99.00906	1.1
99.73404	1.1
101.02459	18.6
103.05551	2.7
111.00904	9.4
113.02476	7.5
115.00281	1.1
119.03529	8.0
119.05045	5.0
121.02982	10.7
121.14661	1.0
123.04561	10.5
129.01959	18.6
135.04541	3.0
143.03532	1.0
147.04539	100.0
148.04875	4.9
149.06091	1.3
157.56834	1.1
161.04559	1.5
161.06105	1.9
165.04066	4.1
165.05574	14.3
173.04591	1.0
179.03677	1.1
182.00574	1.1
197.02771	1.4
200.82780	1.0
205.03578	5.9
267.08786	3.1
285.09888	5.0
326.00626	1.1
327.04617	2.3
327.10886	55.3
327.21445	1.4
328.11227	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	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.93617	0.7
57.03461	9.3
58.00610	1.7
59.01384	0.9
60.99306	0.7
69.36436	3.8
69.36843	1.7
71.01408	0.7
72.02168	0.7
74.03886	0.7
77.34362	0.8
85.02968	1.2
85.06609	0.8
86.02773	0.7
87.04552	0.8
94.63329	0.6
97.06644	1.3
113.09740	23.0
119.63914	0.8
125.09743	8.8
127.11317	12.9
137.09741	3.1
137.64604	0.6
138.31039	0.6
139.11317	1.0
141.09245	2.6
151.11314	3.0
153.09222	1.9
155.10808	5.5
165.09195	4.1
167.10832	0.9
168.32657	0.7
169.12460	1.1
171.10297	10.0
173.60846	0.7
183.10234	2.5
184.20273	0.7
185.41260	0.7
195.10352	3.4
199.09772	3.2
201.11342	75.3
202.11684	4.4
213.11346	44.3
214.11705	2.7
247.20692	1.0
291.19720	6.9
292.19962	0.9
309.20743	16.8
310.21097	2.0
324.04822	0.8
327.21802	100.0
328.22128	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.18241	0.5
57.01550	0.4
57.03440	1.5
59.01379	0.5
68.93118	0.4
68.97794	0.4
69.03460	1.3
69.28893	1.9
69.29320	1.8
71.01404	0.6
71.05026	0.6
76.90894	0.4
80.02678	0.5
83.05037	0.8
85.02965	4.7
86.92986	0.4
95.05032	0.8
97.06603	5.6
109.06586	0.5
110.03748	0.5
111.08186	0.6
111.97257	0.4
125.09743	1.1
127.11293	1.7
137.09737	1.0
155.10825	1.0
155.14467	0.6
163.11403	0.5
163.93903	0.4
165.12846	1.4
167.14474	1.0
171.10291	10.8
172.10587	0.6
177.12814	1.2
183.13893	5.1
185.11833	1.8
193.12457	1.9
197.11816	0.7
209.11858	2.5
211.13409	24.1
211.61261	0.4
212.13710	1.4
221.11900	4.1
229.14464	15.1
230.14665	0.8
239.12885	2.5
280.82404	0.4
291.19656	2.6
291.53922	0.5
309.20792	1.4
327.21790	100.0
328.22125	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
57.03445	1.1
58.86152	0.3
67.15305	0.3
72.14399	0.3
79.40986	0.3
81.47227	0.3
108.99872	0.3
116.44152	0.4
124.37701	0.4
128.14400	0.4
133.59280	0.3
185.00793	1.0
211.13354	0.4
237.22293	0.5
263.23984	0.7
264.24091	0.4
265.25378	67.5
266.25742	7.1
283.26447	1.3
309.24393	24.5
310.24707	2.9
327.25421	100.0
328.25793	11.3
328.29184	0.3
346.28653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2544
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.97631	4.4
56.01244	4.3
59.01371	11.6
70.70541	12.4
77.34460	4.4
77.71165	4.4
83.05025	17.5
91.03992	5.2
93.07274	3.8
185.00772	11.6
235.20685	26.2
253.21771	100.0
254.22128	6.6
299.25766	7.0
327.18268	35.6
327.21982	10.7
327.28815	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
62.19152	0.6
63.74951	0.5
69.37976	3.7
69.38383	0.9
98.20642	0.7
121.02972	0.6
137.11052	0.5
166.75717	0.6
180.96930	0.5
185.00793	2.3
267.26907	1.3
281.28555	0.9
283.26453	0.6
309.28101	0.8
327.18628	5.6
327.29062	100.0
328.18802	0.7
328.29373	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	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.57265	0.3
59.01376	0.5
61.56266	0.3
71.01402	0.4
71.55790	0.4
81.03458	0.4
83.05044	0.6
106.39683	0.3
185.00844	1.1
259.43234	0.4
279.26996	0.4
281.28470	4.0
283.26572	0.4
309.27963	0.8
325.27698	1.0
327.18954	2.2
327.29056	100.0
328.18903	0.4
328.29398	11.8
343.96832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
53.22155	0.6
59.01386	100.0
60.01709	1.1
62.74568	0.6
71.32748	0.9
75.00883	0.7
79.76636	0.6
90.37746	0.6
94.28239	0.6
115.92724	0.6
175.32359	0.6
185.00795	1.0
241.05490	0.7
303.57330	0.8
313.11523	0.7
315.83798	0.6
327.18536	1.3
327.29059	68.9
328.29358	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	328.0591
Annotation	3',5'-di-O-methyltricetin
Peak:m/z	Relative Intensity
59.01392	4.4
61.98869	0.8
62.75122	0.5
63.02417	1.1
63.64541	0.6
65.00364	0.8
69.52330	2.0
69.52743	2.3
82.82298	0.6
83.01446	0.9
96.96022	1.0
149.02493	0.7
151.00403	2.0
158.03741	0.8
160.01675	5.8
161.02431	1.4
170.03773	1.3
173.02505	1.3
174.03262	2.3
183.13972	0.8
184.01735	0.8
185.02557	1.1
187.00372	0.9
198.03279	7.8
199.03717	0.8
200.01199	2.7
201.01962	3.0
202.02739	7.5
203.03467	1.3
211.04030	0.9
214.02751	11.7
215.03157	0.6
226.02728	16.1
227.03413	3.1
227.13031	0.8
229.05103	0.8
241.99803	1.2
242.02242	19.2
243.02646	1.3
255.02802	1.0
256.03738	0.8
257.04642	2.4
268.03836	3.9
269.04614	0.8
270.01721	33.0
271.02240	4.8
274.01233	4.1
281.04547	4.9
282.05280	6.3
283.02335	1.0
284.03204	5.0
285.04083	86.8
286.04391	6.4
297.04065	1.9
299.01987	7.6
299.05624	2.9
309.04135	6.2
311.05786	1.0
312.02731	1.0
313.03568	100.0
314.04059	13.8
322.52722	0.8
327.05115	8.9
328.05905	71.2
328.22116	2.5
329.06479	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	328.286
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
59.01384	4.9
70.02984	100.0
70.05119	4.0
71.03351	1.1
72.00917	1.6
86.02490	5.3
88.04072	1.5
98.20546	1.5
141.28929	1.0
178.18968	1.0
224.06102	0.9
239.23834	24.2
240.24239	2.4
253.25537	1.7
266.24887	5.8
280.26474	24.4
281.26736	2.2
282.28159	1.7
296.25864	7.5
297.26620	1.3
299.02194	1.9
300.29160	9.2
314.04556	1.1
328.18466	3.0
328.28607	70.8
329.06689	2.1
329.28897	8.4
344.27991	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	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11531	0.6
51.76903	0.6
57.45348	0.6
59.01386	50.2
71.56313	0.7
82.95386	0.6
85.09348	0.6
87.00899	1.2
95.32314	0.7
115.02537	2.1
117.00450	7.7
125.00947	1.2
125.02461	1.9
126.98875	1.5
141.00484	0.6
143.02010	3.9
159.01515	64.0
160.01707	5.0
168.99942	4.8
170.97874	9.0
171.01469	1.1
187.01007	100.0
188.00609	10.8
194.66791	0.7
201.02576	13.3
202.02600	1.3
232.98372	0.9
241.00554	1.4
273.49722	0.7
274.99387	4.2
287.01196	0.8
311.01331	0.8
328.96866	1.8
329.02209	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75317	1.2
55.01877	2.4
55.27558	1.1
57.03455	10.7
59.01387	11.3
65.71799	1.1
69.29794	9.4
69.30212	2.5
71.01387	8.4
72.99309	3.3
73.02972	1.5
75.00862	3.3
79.95744	2.3
83.01399	3.6
84.02189	2.0
85.02963	100.0
86.03302	2.3
87.00887	2.0
89.02446	3.7
93.03471	44.7
99.00867	1.6
101.02454	4.6
108.02194	7.1
109.02935	1.4
111.00892	6.2
115.00391	1.7
120.99625	2.4
122.03741	18.1
123.00920	1.4
123.04535	8.5
128.03555	1.8
129.01950	6.9
137.02460	64.5
138.02855	1.3
147.02998	18.8
149.02463	1.6
152.01134	4.8
153.05548	1.8
161.04605	1.9
167.03459	9.9
182.99739	1.6
191.01987	28.7
191.05592	2.7
191.19165	1.3
197.04507	3.1
209.03024	4.0
281.27188	1.3
289.08215	1.5
312.99481	1.2
329.08777	3.7
333.15463	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	329.067
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.10811	0.3
59.01389	0.6
62.22198	0.3
62.47721	0.3
69.56547	0.5
69.56953	2.0
85.10270	0.4
94.75902	0.4
98.20687	0.3
102.85551	0.3
107.01385	0.6
133.02925	0.4
134.46802	0.3
151.00357	2.7
157.03003	0.4
161.02461	18.5
162.02827	0.9
171.04578	0.5
175.03993	0.4
183.04515	2.6
185.02452	5.4
186.02733	0.5
187.00342	1.6
199.03944	2.4
200.04280	0.4
200.38277	0.3
201.01912	0.5
203.03539	7.7
204.03838	0.6
215.03514	2.8
217.01506	0.6
227.03510	20.8
228.03891	1.7
229.01411	2.2
243.02991	7.1
244.03299	0.4
249.89996	0.3
255.02974	0.5
268.03799	0.5
271.02487	43.8
272.02850	3.5
283.99811	0.3
285.04047	2.8
299.01987	100.0
300.02316	8.4
313.03549	5.3
314.04343	66.5
315.04639	6.0
323.30478	0.4
329.06677	94.0
330.07007	9.5
335.85095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Malvidin
Peak:m/z	Relative Intensity
53.31701	0.7
55.61982	0.6
69.91933	3.6
69.92348	1.2
71.34299	0.7
87.12175	0.7
98.20000	1.5
102.51833	0.9
120.62948	0.7
133.02879	0.7
151.00397	1.8
161.02467	2.8
171.04297	0.8
199.04057	1.2
201.01869	1.1
203.03488	1.8
227.03613	4.1
243.03065	2.3
250.09532	0.7
271.02502	66.2
272.02792	4.7
278.34665	0.8
285.04086	3.2
297.04105	0.9
299.01984	70.7
300.02368	7.7
313.03638	5.1
314.04343	43.6
315.04703	4.6
329.06686	100.0
329.53171	0.8
330.07043	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01875	2.3
57.03438	4.6
58.00601	2.8
59.01389	91.6
59.86795	1.4
67.01911	1.7
71.01395	44.1
71.11922	2.5
72.01732	1.9
72.99316	4.5
73.02954	2.2
75.00890	2.8
81.03447	2.5
83.01393	4.3
85.02960	29.9
87.00909	3.3
87.81467	1.7
89.01929	2.8
89.02457	39.6
93.03478	8.4
95.00900	1.4
95.01398	9.4
95.10446	1.6
97.02976	1.5
98.20841	1.6
101.02461	26.6
101.66412	1.5
107.01386	2.9
108.02190	6.8
109.02978	6.3
111.00911	3.5
113.02486	18.3
119.03511	15.6
123.00906	7.1
123.04545	15.1
124.04897	1.7
125.02446	8.5
136.01660	2.4
137.02477	19.0
138.03157	1.6
143.03569	1.7
147.03009	4.7
150.03220	2.6
151.00357	7.5
152.01152	12.5
153.05537	1.8
161.04694	2.8
165.04024	2.3
165.05534	1.9
166.02715	6.5
167.03522	84.3
168.03804	2.4
177.74435	1.6
178.02669	1.9
179.05602	3.1
181.05089	13.6
182.02074	2.2
191.01990	6.6
194.02206	4.8
195.87404	1.5
197.04506	6.1
204.13135	1.6
209.04576	48.2
210.04968	2.1
211.06212	1.6
214.10617	1.6
226.64972	1.5
239.05652	5.2
241.07092	2.7
269.06610	9.7
293.12582	2.4
329.08838	100.0
330.09189	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	329.0882
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
56.75888	0.5
57.03446	1.0
59.01374	4.3
59.88240	0.5
63.17397	0.5
71.01402	2.9
71.54553	0.7
83.01399	0.7
83.11742	0.5
85.02968	7.9
88.04039	1.1
89.02476	0.7
91.48302	0.6
93.03465	3.7
99.00910	0.6
101.02452	1.4
108.02187	60.2
109.02456	1.1
111.00896	1.0
121.02989	0.7
122.03735	0.8
123.00885	0.8
123.04539	23.2
124.04892	0.8
125.02487	1.0
137.02449	5.2
147.02994	2.0
149.02257	0.6
152.01164	39.0
153.01512	1.5
166.02715	0.9
167.03513	100.0
168.03842	5.1
191.02077	1.7
191.05721	0.7
209.04645	0.6
261.00595	0.7
299.01859	0.8
314.04269	0.7
329.06418	3.4
329.12317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
59.01389	4.9
59.31087	0.3
61.19276	0.4
69.89376	1.7
71.01394	8.3
73.02959	2.6
75.00899	0.5
83.01393	0.8
85.02961	5.3
87.00890	0.6
88.53845	0.3
89.02470	1.0
93.03466	1.5
95.01432	0.5
97.02944	0.4
99.00889	1.4
99.04497	1.0
100.80798	0.4
101.02457	5.9
108.02195	1.6
109.02977	2.7
111.00940	0.4
113.02464	4.8
121.02960	2.9
122.03757	100.0
123.00941	0.6
123.04620	9.6
124.04860	0.5
125.02444	1.1
129.01973	0.5
135.04512	2.0
137.02481	2.7
137.06081	1.6
143.03525	0.6
147.03044	0.6
147.04543	1.6
149.06116	0.8
150.03290	0.8
152.01126	0.8
159.01543	0.4
159.03032	1.4
159.04601	0.4
161.04565	7.9
162.03174	0.5
165.05586	6.3
167.03477	2.4
177.05582	3.1
181.05011	0.4
209.02994	0.5
209.04787	0.5
242.05121	0.7
285.09830	1.8
299.02042	0.4
314.04337	0.4
316.02905	0.4
329.09009	5.3
330.08795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26382	0.7
57.03448	0.9
59.01385	100.0
69.28123	6.2
71.01379	9.8
73.02956	2.3
81.03454	1.7
83.01393	2.5
83.05072	0.9
85.02958	4.5
87.00913	1.2
89.02448	4.0
93.03486	1.3
95.01438	0.9
95.05014	0.8
97.02957	0.9
99.00899	1.0
101.02444	6.1
102.05624	1.3
109.02985	1.1
113.02442	3.5
119.03568	1.3
121.02948	1.3
123.04532	10.1
125.02412	1.1
133.02975	2.7
134.03340	1.3
135.04602	1.0
136.05078	0.9
137.02451	1.3
151.00420	1.3
161.04617	2.9
164.03540	1.1
166.02831	1.0
167.03499	25.1
167.10828	0.8
168.03934	0.8
181.05028	0.8
191.03549	4.5
209.04620	2.8
209.11887	3.5
211.04369	1.0
221.04648	1.2
222.79364	0.7
227.12878	1.2
241.05479	1.0
245.42426	0.8
269.10339	3.6
286.03949	1.5
296.10367	0.7
300.05344	0.9
301.06223	4.0
314.04410	1.0
329.05737	16.8
329.10016	0.7
330.06024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51978	8.0
59.01390	100.0
70.69724	14.5
70.70066	21.9
78.95902	42.4
96.51686	8.8
98.20336	10.5
100.26534	8.8
108.54346	9.5
127.70435	8.7
131.46588	9.8
141.20485	10.5
143.02438	9.5
152.99605	46.9
163.89696	9.1
202.18394	11.0
227.03447	13.4
271.02533	11.5
277.21844	19.7
278.63754	9.5
293.21347	12.5
299.01904	21.7
314.04181	23.2
329.06619	38.2
329.23328	30.8
348.45236	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	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03451	1.2
64.19592	0.6
68.40601	0.6
70.65839	1.4
70.66193	0.9
75.25917	0.6
97.06605	0.6
97.89085	0.6
99.08164	4.7
105.40347	0.6
125.09727	0.9
127.11333	2.9
139.11305	6.7
155.10799	0.7
157.12424	0.6
167.14410	0.8
171.10294	14.2
181.85542	0.7
183.13930	5.3
193.12317	0.8
209.11914	0.7
211.13403	26.8
212.13736	1.2
217.59792	0.6
229.14462	13.3
230.14777	1.0
293.21344	1.0
300.41797	0.7
311.22375	1.4
329.23346	100.0
330.23740	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	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03441	1.1
58.00595	1.1
59.01384	6.2
60.93935	0.3
61.98827	0.6
68.31119	0.3
69.03452	0.4
69.47776	2.3
73.02934	0.5
80.87229	0.3
81.03453	0.4
83.05041	0.4
85.02965	0.5
85.21443	0.3
96.96008	0.8
98.19933	0.6
99.08173	1.7
125.09741	2.7
127.07649	0.6
127.11314	7.3
128.11722	0.4
129.09225	1.3
137.09746	1.0
139.11304	5.5
140.11609	0.5
143.10834	0.4
155.10794	2.7
156.11153	0.5
161.02428	0.5
165.09190	1.3
169.12352	0.6
170.97878	0.4
171.10281	32.4
172.10632	2.0
173.37148	0.4
181.12350	0.7
183.10271	1.2
183.13905	0.5
185.11873	2.0
186.12302	0.8
187.12408	0.8
197.11754	0.6
198.12196	0.6
199.09729	1.2
199.13631	2.3
201.11340	18.1
202.11661	1.3
211.13382	4.2
212.13904	0.5
213.11333	0.8
227.03590	0.8
229.14441	1.5
239.66539	0.3
260.10663	0.4
271.02383	1.6
272.02789	0.4
275.20212	1.4
293.21298	2.6
299.02008	3.4
300.02310	0.3
311.22214	2.6
314.04462	1.8
315.04898	0.4
329.06680	4.0
329.23325	100.0
330.06750	0.4
330.23672	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03452	2.4
79.01905	1.2
81.03481	1.1
81.82915	0.5
83.01384	2.0
85.02956	0.7
87.00894	0.9
94.68932	0.5
95.01382	0.8
97.02954	2.3
97.43429	0.5
98.19849	1.3
107.01427	2.2
109.02974	0.7
114.81527	0.7
123.00897	4.6
124.01681	15.4
125.02467	58.7
126.02793	1.5
126.83474	0.7
128.90794	0.6
137.02470	1.1
149.99605	27.1
151.00418	4.4
153.02032	0.9
165.01924	1.7
167.03592	1.3
168.00658	59.1
169.01398	6.3
175.00424	0.8
180.04359	0.8
193.01450	0.8
195.06676	1.9
302.40756	0.6
313.05679	7.6
314.05667	0.7
331.06741	100.0
332.07080	8.3
332.10632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.04177	0.6
55.20936	0.6
61.11859	0.7
61.41533	0.7
69.03466	3.3
69.72549	2.8
69.72956	1.5
79.01900	1.5
81.03444	1.6
83.01408	1.2
89.12444	0.5
95.01389	1.2
97.02972	2.3
97.17356	0.6
98.20619	1.3
107.01389	1.8
123.00913	3.7
124.01675	16.7
125.02462	64.4
126.02814	3.0
137.02446	0.9
147.94885	0.6
149.99605	30.4
151.00154	2.0
153.01927	2.8
167.03508	1.3
168.00659	67.7
169.01335	6.4
172.36360	0.6
175.19627	0.7
193.01537	0.8
195.06618	1.1
211.56190	0.7
217.73900	0.8
313.05695	8.2
314.06271	0.7
331.06735	100.0
332.07034	6.8
340.16544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.0
57.03453	4.4
58.00595	3.0
59.01385	64.3
60.01726	1.0
68.12674	0.8
69.03464	0.9
71.01389	100.0
72.01669	1.0
72.99312	4.5
73.02554	1.6
73.02953	29.8
75.00863	1.8
83.01397	11.3
83.05016	1.3
85.02958	43.5
86.00083	2.6
86.03310	1.1
87.00889	11.6
89.02453	36.1
89.03017	1.8
90.02818	0.8
95.01394	6.8
97.02976	2.0
99.00886	11.7
100.18251	0.7
101.02454	66.3
102.02766	1.5
104.65725	0.8
111.00877	1.1
113.02456	44.1
114.02754	1.2
119.03508	11.1
119.08068	0.8
125.02448	3.1
129.01923	2.8
131.03519	20.9
137.66905	0.7
143.03487	4.2
149.04547	0.8
151.11305	3.6
159.02992	7.8
161.04575	45.3
162.04895	1.5
164.60350	0.8
169.12407	1.2
179.05670	1.4
213.15044	0.8
221.03195	0.8
221.06674	19.1
297.00809	1.0
331.07065	1.3
331.17410	2.8
332.10483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01877	5.9
57.03457	6.2
58.00595	2.9
59.01386	61.4
60.01715	0.7
68.99841	0.8
69.03460	0.7
69.53976	4.4
71.01390	100.0
72.01723	1.1
72.99316	3.2
73.02955	29.1
75.00880	2.5
80.13062	0.6
83.01402	11.7
83.05038	1.0
85.02962	38.2
86.00105	2.4
87.00878	11.3
87.04523	1.7
89.02457	31.3
90.02787	0.6
95.01392	6.6
96.96016	0.9
97.02958	1.5
98.20621	1.4
99.00896	9.3
101.02456	68.7
102.02809	1.5
111.00891	0.8
113.02464	37.3
114.02794	0.9
119.03513	9.3
125.02453	2.1
129.01988	1.8
131.03529	18.1
137.67842	0.7
139.00420	1.1
143.03496	3.9
145.05150	1.5
151.11282	3.3
153.01973	0.8
159.03003	7.6
161.04570	36.9
162.04889	1.5
169.12477	1.0
179.05664	1.1
221.06677	15.9
224.58896	0.7
224.98067	0.7
330.97260	1.3
331.03323	0.9
331.06979	1.2
331.12222	1.4
331.17636	2.1
332.10623	0.8
336.78445	0.7
349.44742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17350	0.5
59.01388	0.8
69.95347	2.2
69.95747	1.2
71.01388	15.9
83.05051	0.8
85.02974	0.9
97.02930	1.4
121.66286	0.5
125.09676	1.1
125.99369	3.5
141.09209	6.7
141.23654	0.6
149.06105	1.2
165.01701	7.7
165.09013	1.2
171.10243	0.8
179.07068	0.6
181.08507	2.5
183.09981	3.0
191.06953	1.3
193.04782	1.1
193.08475	15.7
194.05615	0.7
194.08836	0.7
195.06329	0.6
197.07922	1.6
207.09952	0.5
209.08023	5.5
221.07991	4.3
222.08743	100.0
223.09503	49.6
223.11844	0.7
224.09865	1.9
225.07468	1.2
227.09021	2.1
236.10269	1.4
237.11125	1.0
248.10320	0.8
254.07739	9.1
261.11011	1.1
262.11819	4.5
274.75681	0.6
301.17859	1.3
303.19507	2.2
313.17874	3.9
331.18930	31.0
332.19452	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
59.68481	0.6
69.70788	3.1
71.01397	0.6
77.55271	0.6
78.03463	1.0
80.05077	1.1
85.02980	0.6
92.05066	2.0
94.06641	4.2
96.96009	0.8
104.05058	3.9
105.03454	3.0
106.05945	0.8
106.06645	12.5
107.03803	1.0
108.04565	1.5
108.18484	0.5
113.96964	0.5
120.04546	6.2
121.05336	1.0
121.27416	0.5
122.06132	14.2
123.03282	2.3
124.07677	0.9
131.03775	1.2
132.04570	9.1
133.04903	0.7
135.03288	1.1
136.16536	0.5
138.05623	23.8
139.05954	0.8
140.07146	0.5
148.04065	0.9
150.05623	3.4
152.07095	0.5
159.06947	0.5
166.05092	0.7
180.39827	0.5
184.11220	0.5
189.07907	1.0
200.09596	0.6
202.12460	0.9
209.11900	0.8
215.11884	2.1
217.07469	1.6
227.11995	0.5
228.09064	0.8
229.09785	0.8
231.09102	0.9
231.11264	1.1
241.09787	3.6
242.06915	0.5
243.11363	1.8
259.10825	1.0
271.10925	1.8
289.11960	100.0
290.12286	9.1
314.97739	0.7
333.10751	7.3
333.14114	0.6
334.11234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79460	0.3
59.01360	0.4
59.98488	0.5
60.32056	0.3
69.71551	0.8
69.71947	1.3
71.01393	13.4
78.27259	0.3
85.02946	0.9
95.37953	0.3
111.00606	0.3
125.98548	0.4
125.99395	3.5
127.07655	0.3
141.09186	0.4
141.98807	0.4
142.48555	0.4
165.01689	6.7
179.86115	0.3
187.00424	0.4
193.04805	1.1
193.08508	1.8
194.05534	0.8
207.06439	0.4
214.99934	0.6
221.07991	5.0
222.08754	100.0
223.09079	5.1
236.10326	4.0
254.07748	9.6
255.08125	0.8
263.07187	0.4
286.98386	1.0
305.20975	0.4
305.75873	0.4
314.97849	3.8
315.98227	0.5
332.99170	0.3
333.20572	21.0
333.24384	1.8
334.20938	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	335.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
59.01105	1.5
59.01385	17.8
66.95097	1.1
69.03478	1.5
71.01402	6.0
71.32959	1.1
71.57439	1.1
72.11000	1.2
72.99307	1.3
73.02955	4.4
81.03464	2.3
83.01415	2.8
83.05041	4.8
85.02963	3.1
88.86234	1.0
93.03469	34.1
95.01428	1.5
96.96017	1.7
99.00925	2.0
101.02444	1.7
111.00890	2.9
111.04530	15.1
113.02458	2.7
132.02171	2.4
133.02975	36.7
134.03792	5.9
135.04549	84.1
136.04871	3.5
137.02464	11.7
139.04027	1.3
155.03525	9.5
161.02466	100.0
162.02847	5.3
166.36592	1.1
173.04593	15.6
173.08157	2.7
178.02773	2.2
179.03520	81.4
180.03865	3.7
256.63562	1.2
291.08618	2.7
292.20688	1.2
307.64975	1.2
335.07745	44.7
335.20642	5.9
336.08139	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	335.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
59.01105	1.5
59.01385	17.8
66.95097	1.1
69.03478	1.5
71.01402	6.0
71.32959	1.1
71.57439	1.1
72.11000	1.2
72.99307	1.3
73.02955	4.4
81.03464	2.3
83.01415	2.8
83.05041	4.8
85.02963	3.1
88.86234	1.0
93.03469	34.1
95.01428	1.5
96.96017	1.7
99.00925	2.0
101.02444	1.7
111.00890	2.9
111.04530	15.1
113.02458	2.7
132.02171	2.4
133.02975	36.7
134.03792	5.9
135.04549	84.1
136.04871	3.5
137.02464	11.7
139.04027	1.3
155.03525	9.5
161.02466	100.0
162.02847	5.3
166.36592	1.1
173.04593	15.6
173.08157	2.7
178.02773	2.2
179.03520	81.4
180.03865	3.7
256.63562	1.2
291.08618	2.7
292.20688	1.2
307.64975	1.2
335.07745	44.7
335.20642	5.9
336.08139	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	335.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77821	1.0
57.03447	1.5
58.00596	4.0
59.01386	82.1
60.67233	1.0
71.01390	55.0
71.54539	1.5
72.01766	1.3
72.99321	5.2
73.02963	1.8
75.00864	1.8
83.01389	3.1
83.37341	1.1
85.02954	16.8
87.00883	3.1
89.02455	49.7
93.03459	1.9
95.01410	2.9
99.00891	3.4
101.02454	36.9
108.29185	1.0
109.06570	1.4
111.00871	1.5
111.08181	2.2
113.02470	21.7
117.75730	1.0
119.03526	23.7
120.99649	2.6
129.01959	1.4
135.04575	1.8
137.02464	1.8
143.03502	3.3
155.03558	1.3
155.07162	8.2
161.02423	2.8
161.04568	3.8
173.08170	6.6
179.05583	3.6
239.31638	1.1
242.50841	1.0
335.10220	5.1
335.13522	100.0
336.13895	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	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27126	3.6
59.01383	80.4
65.94669	3.0
71.18668	6.5
72.48231	2.6
82.38208	2.2
98.83652	2.4
99.00659	14.2
105.84820	2.3
106.92976	2.9
147.00859	2.8
216.52501	2.6
253.21733	100.0
253.24435	4.8
254.21944	5.9
290.81653	2.7
328.30118	2.6
335.22061	76.0
336.22455	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	335.2231
Annotation	PGB1
Peak:m/z	Relative Intensity
51.20730	0.4
53.02518	0.4
59.01386	7.5
70.83829	0.5
71.01391	0.6
76.91164	0.4
86.21867	0.5
88.04026	0.6
89.57259	0.5
96.96011	0.8
120.37396	0.5
147.00896	0.8
161.02448	1.6
170.88347	0.8
192.95911	1.0
221.19081	2.4
231.57155	0.5
255.06274	0.5
260.04779	0.6
273.22223	3.1
274.22427	0.5
291.23303	12.0
292.23599	1.8
317.21280	1.5
335.22293	100.0
336.22595	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	336.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84026	0.6
57.03452	1.6
59.01386	15.8
71.01388	4.9
71.56461	1.0
73.02947	2.2
79.37141	0.6
83.01388	2.7
85.02967	13.8
87.00873	1.5
88.48389	0.5
92.05067	7.3
93.03482	2.0
96.96004	0.8
99.00863	0.8
101.02440	2.9
109.73061	0.5
111.00891	0.6
113.02477	1.1
116.05085	0.8
117.03501	1.4
118.03043	2.6
119.05042	7.4
120.04570	1.9
121.02876	0.5
125.02382	0.7
129.01938	6.2
130.06654	0.8
131.03783	100.0
132.04576	83.2
133.04912	3.0
144.04559	6.3
145.02965	6.5
146.06110	2.2
147.02962	0.8
147.04576	0.6
147.79688	0.7
154.99857	1.2
157.05292	0.8
158.06131	5.1
161.02527	1.1
161.04555	3.8
162.02821	0.8
163.04007	5.6
168.46503	0.6
173.00935	2.6
173.04546	1.9
174.05605	11.5
175.06000	0.9
186.05615	3.3
191.02025	3.9
191.05624	18.7
203.05566	0.9
203.07278	0.7
231.06615	2.6
237.05884	0.5
276.08875	2.4
294.09760	0.7
336.14163	0.7
337.07800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	4.8
59.01387	70.1
59.40629	2.6
68.43456	2.7
68.99824	4.7
70.73833	7.1
71.01388	16.9
72.99303	6.2
74.99104	3.7
75.00875	4.0
78.22720	2.8
83.01390	2.8
85.02957	32.1
87.00880	5.1
87.04499	8.4
89.02458	12.0
93.03452	12.0
95.01399	2.8
99.00867	7.2
101.02448	8.7
111.00903	4.0
113.02448	15.1
113.99598	18.0
115.00357	6.9
118.91794	2.8
119.03587	3.5
119.05054	63.7
124.61047	2.7
129.01939	9.3
136.99130	3.2
137.02473	8.6
139.03986	8.5
145.03021	3.4
147.02942	4.1
153.01950	11.8
155.03542	3.2
157.01421	6.1
161.04533	7.4
163.04036	100.0
163.05392	5.0
169.01350	4.6
174.01695	16.9
175.00078	3.5
175.02406	3.4
191.01918	4.4
191.05695	16.8
198.48453	3.5
277.05685	20.9
337.07773	97.9
337.11490	5.9
337.14822	6.9
338.08133	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	337.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
58.26255	0.7
59.01393	5.3
61.10306	0.6
68.99817	3.2
69.03447	0.9
70.36891	2.0
71.01388	3.9
73.02951	1.0
75.00900	0.9
83.01395	2.1
85.02946	7.1
87.00897	3.4
89.02448	1.4
95.01403	0.8
98.19865	0.9
99.00890	5.1
101.02466	2.4
111.00900	2.0
111.02044	1.1
113.02469	9.3
113.99603	18.5
115.00385	7.4
118.01528	0.9
127.00379	2.6
129.01958	2.4
139.00322	0.8
157.01439	6.1
161.04562	1.1
163.04019	3.0
169.01379	1.7
174.01704	15.7
175.02435	2.9
247.50229	0.8
253.18823	0.7
277.05670	19.8
278.06137	1.6
337.07794	100.0
338.08014	7.7
339.75394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.66743	0.8
59.01388	1.9
66.26977	0.7
68.99834	3.2
71.01385	2.8
71.56352	1.2
73.02961	1.4
75.00877	1.4
83.01428	1.3
85.02969	6.8
87.00902	1.5
92.30877	0.7
95.01413	1.3
99.00919	4.3
101.02442	1.8
111.00871	2.1
113.02463	5.6
113.99603	17.3
115.00407	7.7
127.00372	3.2
129.01933	3.1
139.00317	0.9
141.01935	0.8
157.01437	6.2
169.01419	1.6
174.01711	19.2
175.02298	2.4
277.05664	20.0
278.05978	1.0
337.07791	100.0
338.08228	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	337.0933
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.36679	0.2
57.03438	0.8
59.01378	2.4
67.01894	0.9
69.91277	1.2
71.01385	1.3
72.99326	0.6
73.02942	0.4
83.01390	0.4
83.05035	0.3
85.02961	10.6
87.00881	2.5
93.03472	6.3
96.95984	0.3
98.19970	0.4
99.00898	0.3
99.04556	0.5
109.02976	0.8
111.00887	1.0
111.04519	1.5
115.00336	0.3
117.03442	0.6
119.05057	4.1
120.05390	0.3
126.45451	0.3
127.04023	1.9
129.01959	1.5
131.03743	0.5
132.04424	0.5
133.04916	0.7
134.03752	0.3
137.02373	0.3
145.02960	2.5
147.03038	0.4
154.99886	0.3
155.03596	0.4
161.02367	0.3
163.04041	3.5
165.23967	0.3
171.03053	0.3
173.00992	0.4
173.04568	2.8
175.03970	0.4
176.03563	0.7
179.03357	0.3
185.06151	0.3
191.05629	100.0
192.05989	4.1
193.05052	0.3
231.06726	0.8
249.09390	0.2
337.09525	2.3
338.08899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.96557	0.4
53.99286	0.4
57.03467	0.7
57.28724	0.5
59.01391	4.4
66.34329	0.4
69.89529	1.6
71.01389	1.4
73.15443	0.5
81.03490	0.6
83.05006	0.8
85.02953	3.7
87.00908	0.8
93.03471	4.0
101.02457	0.7
101.57189	0.5
101.75470	0.5
104.10024	0.4
111.00900	0.9
111.04563	2.7
113.02415	0.6
119.05042	54.5
119.59974	0.5
120.05360	2.3
127.04032	0.6
129.01968	0.6
135.04581	0.7
137.02512	0.5
145.02988	0.5
147.02988	0.5
155.03528	2.9
155.44778	0.5
163.04031	100.0
164.04367	4.1
173.04558	5.4
191.02007	1.0
191.05629	18.1
191.07376	1.0
257.12534	0.5
265.40805	0.5
280.97186	0.5
337.09424	2.7
337.15063	1.5
338.09787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07277	0.4
57.03447	1.1
59.01386	2.6
60.99315	0.9
67.01902	5.2
69.03456	0.8
69.19016	3.8
71.01390	3.1
72.99323	0.7
79.07591	0.3
81.03453	0.8
83.05042	1.2
85.02976	3.3
87.00877	0.7
93.03471	28.9
94.03805	0.6
99.00912	0.4
109.02985	0.6
111.00901	3.1
111.04544	5.4
113.02439	0.5
119.05045	16.1
120.05394	0.7
125.02511	0.7
127.04107	0.6
129.01961	0.5
131.53886	0.3
135.04556	0.5
137.02475	5.1
145.02841	0.4
147.03011	0.3
155.03525	5.0
156.53922	0.4
161.07227	0.5
163.04033	19.7
164.04350	0.8
173.04568	100.0
174.04912	3.7
191.01894	0.5
191.05661	3.4
204.07817	1.1
229.74899	0.4
293.06519	0.5
337.09219	2.7
338.09338	0.4
348.98660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.24055	0.4
59.01392	4.3
61.12936	0.4
66.07455	0.4
69.03454	0.9
71.01379	1.8
71.31817	0.8
71.53631	0.6
72.69231	0.5
81.03461	0.5
83.05036	0.9
85.02958	6.7
87.00876	1.3
89.02464	1.0
89.10629	0.6
93.03481	4.4
99.00873	1.0
101.02448	1.8
109.02991	0.7
111.00885	0.8
111.04517	2.8
119.05039	55.9
120.05342	3.4
127.04047	1.1
145.02945	1.0
155.03526	2.4
157.08792	0.6
161.04568	0.7
163.04025	100.0
164.04372	4.4
173.00981	0.5
173.04558	7.5
191.02008	1.5
191.05632	36.4
192.05936	1.9
204.03952	0.5
337.09348	4.9
337.14996	2.2
338.09247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01386	100.0
60.01716	0.9
70.88753	2.5
71.01410	1.9
79.50594	1.2
83.01398	0.9
85.02968	8.8
93.03492	1.1
111.00903	5.2
119.05051	3.4
119.61214	0.9
125.02476	2.0
129.01926	1.7
135.04561	1.6
154.99802	1.5
163.04039	2.9
173.00948	1.7
173.04564	2.1
191.01981	4.4
243.60860	1.2
253.38837	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	337.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94802	1.2
57.03439	1.4
57.97555	3.1
59.01159	1.2
59.01381	12.7
69.22382	11.0
75.18439	1.3
80.02679	1.3
81.03448	2.0
83.05045	2.3
93.03497	1.7
95.05012	1.5
96.96004	4.9
97.02936	2.4
97.06602	3.0
97.71962	1.1
107.05045	14.0
109.06607	1.4
119.04994	1.9
120.18201	1.3
121.06609	1.4
123.04514	6.8
123.08162	1.5
125.02444	2.6
125.06085	6.0
125.09724	9.0
135.08167	9.4
137.06047	4.2
147.04466	2.2
151.11134	1.2
152.99536	1.2
153.09225	11.2
161.09683	1.4
163.11288	1.9
176.08388	1.9
185.11797	8.0
189.12917	2.1
191.10825	6.3
191.12259	1.2
192.10959	1.2
197.11679	1.9
207.10229	2.5
209.11920	1.8
217.12300	3.6
243.17505	12.8
255.23354	1.7
259.17975	1.7
259.20679	17.0
260.21118	1.8
261.18646	2.1
267.12344	2.2
275.23782	28.7
276.24060	4.1
279.76355	1.2
287.16595	10.7
293.21292	3.0
293.24805	11.8
294.25214	1.8
305.17621	13.9
306.18185	2.4
319.19141	33.6
319.22821	2.7
320.19302	3.6
322.17841	6.8
337.20117	19.1
337.23795	100.0
338.20596	2.4
338.24176	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	337.2387
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
57.03440	1.0
59.01387	7.5
60.45336	0.7
63.70264	0.6
69.70856	4.0
70.42457	0.6
71.01384	0.8
75.23254	0.7
75.97247	0.8
76.27471	0.6
76.30848	0.7
93.03461	0.7
96.50972	0.6
96.96007	3.1
98.19887	1.0
101.29071	0.6
105.21861	0.7
107.05031	2.6
123.04511	0.7
123.08173	1.2
125.06087	1.2
125.09703	2.4
135.08156	1.4
137.06090	1.2
153.09212	2.1
176.63281	0.6
185.11768	1.8
191.10765	0.8
231.17537	0.8
243.17487	3.8
259.20682	14.9
260.20993	1.7
261.93970	0.7
266.83084	0.7
267.26315	0.8
275.23810	27.2
276.24231	3.3
287.16486	2.5
293.21701	0.9
293.24893	12.1
294.25354	1.6
305.17578	2.5
319.19156	5.1
319.22748	1.6
322.18152	1.1
337.20508	5.1
337.23868	100.0
338.05823	0.7
338.24222	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	339.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
57.03461	0.6
59.01389	11.0
67.01888	1.0
68.99789	0.6
69.03462	69.9
70.03793	1.4
71.01396	2.0
71.05023	0.5
71.58291	0.6
73.02976	0.6
75.00894	0.5
79.01897	18.5
81.03471	2.1
83.01378	0.7
85.02966	5.5
87.00914	0.6
89.02464	0.6
93.03484	1.5
95.01402	12.3
95.06973	0.5
96.95995	3.1
97.02962	35.7
98.03299	1.3
98.67089	0.5
101.02456	0.6
105.03514	0.6
106.06634	0.5
107.01399	20.7
108.02200	15.3
109.02967	26.1
110.03312	0.7
111.04571	0.5
113.02473	3.2
119.05042	1.1
121.02975	6.1
123.00906	14.9
123.04552	2.6
124.33940	0.5
125.02464	40.7
126.02808	1.4
133.02997	3.2
134.03761	1.4
134.06161	4.1
135.00911	2.2
135.04576	2.7
136.01688	3.1
137.02469	5.9
145.02948	1.5
147.04523	1.0
149.02463	12.1
151.00392	16.3
151.04033	1.1
152.01132	1.0
153.01958	100.0
154.02295	3.7
161.02478	1.3
163.03999	3.7
167.03551	1.6
173.04649	1.1
175.03976	1.0
177.01930	5.7
178.05104	1.8
179.03508	1.0
179.12250	0.5
191.03499	1.5
191.05634	1.1
195.03008	1.1
211.83073	0.6
219.02969	1.0
279.05115	22.9
280.05539	2.2
295.19214	0.5
297.06174	33.8
298.06549	1.9
322.59543	0.6
339.07263	20.7
339.18274	2.6
340.07663	2.2
350.01877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
57.14443	0.3
59.01371	1.2
65.00320	0.6
65.03958	1.4
67.01897	1.2
68.99796	0.3
70.21297	0.4
71.16560	0.4
71.16907	0.4
71.88209	0.3
72.50927	0.4
75.38161	0.3
80.02681	0.5
86.89679	0.4
91.01903	51.7
92.02250	1.7
101.62631	0.4
108.02159	1.1
109.02968	13.6
110.03277	0.6
121.02948	1.4
123.04532	1.2
133.02925	1.4
135.00897	100.0
136.01164	3.5
137.02463	3.1
145.51790	0.4
149.02454	1.6
153.01953	62.0
154.02301	2.9
161.02460	1.5
175.04008	0.6
177.01952	1.5
189.01910	1.6
279.05173	0.7
297.06192	1.1
339.07217	25.1
340.07510	2.6
356.01361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
59.01387	100.0
60.01723	0.8
61.82912	0.6
69.42725	1.7
69.43142	3.2
71.01381	7.5
72.99314	1.7
73.02956	1.2
75.00877	0.6
83.01409	0.8
85.02975	2.7
87.00867	1.0
89.02434	3.6
96.86635	0.7
99.00893	0.9
101.02460	6.3
111.00883	0.7
113.02503	1.3
119.03523	0.7
131.03514	1.9
133.02962	1.5
158.04874	4.4
159.05652	21.3
160.06049	0.9
161.04556	2.6
161.05869	0.7
162.35626	0.5
173.07227	16.0
174.07526	0.6
176.02278	2.4
176.05882	0.6
177.00502	1.2
177.01942	15.0
177.05222	0.8
177.06711	13.8
178.02333	0.8
178.06993	0.9
188.71959	0.6
191.08276	20.1
192.08723	0.7
193.07161	0.6
205.06197	52.9
206.06560	3.4
219.07759	27.8
219.09938	0.6
220.08015	2.2
222.10823	0.6
228.03180	0.6
273.40640	0.6
279.14496	6.9
310.03998	0.7
311.12405	1.5
311.26498	0.6
331.76300	0.7
339.07935	1.8
339.11966	21.9
340.12299	2.7
340.98764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72005	0.8
54.35647	0.6
55.97179	0.7
58.00598	1.1
59.01386	100.0
60.01730	1.1
65.82169	0.7
69.34422	4.0
69.34847	2.1
71.01389	8.8
72.99306	1.1
73.02974	2.4
75.00876	0.7
83.01424	1.2
85.02950	3.3
87.00871	0.9
89.02448	5.1
93.03484	1.2
101.02460	7.5
105.03506	1.7
113.02485	2.0
119.03540	0.9
131.03496	1.4
133.02972	3.6
135.04514	1.4
146.02510	1.1
158.04845	4.4
159.05634	19.6
160.06029	1.1
161.04544	3.0
163.69238	0.7
173.04651	1.1
173.07217	14.7
176.01056	1.8
176.02419	1.1
176.05879	1.6
177.01945	35.4
177.04216	1.4
177.06697	13.3
178.02348	2.1
179.03445	1.0
191.05608	2.7
191.08290	18.6
193.07172	0.8
205.06204	48.6
206.06522	2.4
219.07767	28.1
219.11139	1.0
220.07964	2.1
279.14529	7.0
321.10867	1.0
339.07703	3.4
339.11966	23.3
340.12341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69807	2.7
55.01860	2.6
57.03454	8.8
59.01389	16.3
64.30919	2.5
68.04865	2.5
69.03479	3.9
70.89037	4.0
70.89390	5.9
71.01392	6.5
71.05029	43.4
73.02976	3.0
80.02733	3.0
81.03464	24.0
83.01387	4.4
83.05038	7.0
85.02951	4.5
93.03479	5.0
95.05041	21.8
96.96017	12.5
97.02962	2.5
97.06623	12.0
101.02441	3.5
108.02193	3.2
109.02980	5.5
109.06622	8.3
110.03754	11.1
111.04530	19.7
121.06602	7.3
122.03788	4.9
123.04539	8.0
123.08197	20.9
125.02477	3.5
125.06119	6.1
125.09748	67.8
127.11275	3.0
130.00020	2.5
133.06589	11.1
135.00897	3.5
135.04556	3.9
137.06108	7.7
139.07700	6.5
149.06071	10.1
151.07649	37.9
159.57512	2.4
167.07146	41.3
171.10294	30.6
174.06764	3.5
177.05592	3.2
185.11893	5.4
185.56822	2.6
187.09836	6.7
197.11798	4.3
199.09821	5.0
201.11285	15.1
207.10295	4.5
209.11865	9.3
213.11278	14.7
215.12903	100.0
216.13211	5.9
227.13023	3.1
237.11440	2.9
247.13405	4.1
249.11368	15.3
259.17108	3.3
265.14514	15.2
277.18048	4.8
285.15015	46.7
286.15363	3.4
295.19034	3.8
303.16037	85.3
304.16309	12.1
321.17111	41.1
322.17471	4.6
328.87650	2.4
339.12329	5.1
339.18143	18.1
339.21707	3.9
339.32709	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06820	3.5
54.34174	3.8
55.46274	3.1
55.90725	3.6
57.03442	6.0
57.73131	3.5
59.01368	17.9
69.03453	9.9
70.67978	4.4
70.88123	10.6
71.01360	5.5
71.05033	18.9
73.02953	5.9
81.03461	51.0
82.07478	3.6
83.05019	34.1
83.11536	4.4
85.02946	17.0
93.03439	6.8
95.05042	15.2
96.95988	5.5
97.02950	18.0
97.06586	8.1
99.04527	100.0
108.02194	17.4
109.02949	11.3
109.06583	9.8
111.04523	10.7
121.02972	26.2
121.06579	6.4
122.03799	20.2
123.04530	9.4
123.08170	6.5
125.06117	4.8
125.09734	8.7
127.04034	5.2
131.05038	4.6
135.04494	5.6
137.06108	19.4
139.07599	5.4
149.06097	25.5
151.07628	5.5
167.07114	15.0
167.10785	5.2
171.10294	60.9
172.10767	4.7
177.12920	7.0
178.06340	16.8
185.11868	5.7
191.14410	8.9
191.67438	4.1
193.12379	19.6
195.13849	7.8
199.13452	13.7
203.10838	4.7
209.11884	5.8
211.13373	6.7
225.15076	4.9
235.13406	69.4
236.06702	4.3
236.13681	6.3
249.11316	10.9
250.12112	19.2
253.14470	95.7
254.14888	4.0
259.16855	4.7
265.14359	10.8
277.18326	4.9
285.14948	15.1
302.00305	3.7
303.04709	6.0
303.16068	34.9
321.17059	44.5
322.17416	7.5
339.18066	16.0
339.21756	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
58.08877	1.1
59.01376	4.7
63.83163	1.3
71.12658	2.0
72.99300	3.6
96.95997	1.1
97.06608	5.4
98.20041	1.3
119.05016	2.1
121.02965	1.9
125.06102	22.7
143.07152	70.1
144.07463	3.7
151.11307	14.1
155.10771	1.7
169.12354	100.0
170.12671	5.5
171.10158	1.6
183.01259	1.7
193.07155	1.6
213.11340	93.9
214.11711	5.6
217.10895	5.7
237.14944	2.9
245.19246	1.3
307.19171	1.7
307.60931	1.1
321.20648	3.7
339.08627	2.2
339.12341	1.3
339.18048	8.6
339.21780	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.55970	0.4
69.23386	3.5
78.61982	0.4
98.20731	0.7
149.88390	0.4
163.11305	100.0
164.11624	6.4
301.36438	0.4
339.23282	77.9
340.23630	13.5
340.27765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2544
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
50.80492	1.4
57.28481	1.8
59.01382	4.9
71.01382	1.4
71.57356	1.4
80.96487	1.3
109.06595	3.1
119.05038	2.6
183.01263	3.6
184.96748	1.3
193.07317	1.6
193.45616	1.1
225.09271	9.6
237.09163	2.6
277.25415	31.3
278.25708	3.7
295.16959	6.3
295.26471	20.2
296.26730	2.6
321.24475	10.0
339.16687	12.0
339.20258	6.1
339.25421	100.0
340.20407	1.8
340.25732	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	339.2906
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
50.73632	0.5
59.01396	0.8
65.42841	0.5
68.64447	0.5
69.97112	0.5
70.88489	1.1
74.02492	1.3
79.95736	0.8
98.95586	1.2
119.05023	1.2
126.47015	0.5
163.11304	7.9
183.01228	18.3
184.01965	2.5
216.00826	0.6
235.14418	0.7
244.31168	0.6
273.30405	0.5
287.52090	0.5
289.56506	0.5
295.26410	2.6
295.30051	1.4
321.27936	0.8
339.20047	40.5
339.29037	100.0
340.20358	4.3
340.29398	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	341.109
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01896	1.0
57.03447	1.3
57.09324	0.6
58.00589	3.4
58.50113	0.7
59.01384	100.0
60.01727	1.3
68.56560	0.7
71.01389	69.1
72.01724	1.1
72.42720	0.7
72.63223	0.6
72.99319	3.9
73.02953	2.7
75.02106	0.7
83.01389	2.1
85.02956	9.3
87.00876	4.1
89.02454	82.5
89.14748	0.7
90.02782	0.9
95.01409	2.9
97.02956	0.7
101.01796	1.7
101.02453	29.1
113.02462	26.3
119.03514	29.4
125.02481	1.3
131.03484	3.8
143.03493	7.3
149.04567	1.7
161.04565	7.9
179.05623	26.7
194.92381	0.7
266.21326	0.8
287.19656	0.8
341.06708	1.5
341.10883	30.8
342.11374	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	341.109
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
57.03454	1.8
58.00598	3.1
58.11836	0.9
58.12143	1.0
59.01385	100.0
60.01719	1.7
65.90881	0.8
66.15980	0.8
69.59269	6.3
71.01386	65.0
72.99303	1.9
73.02962	1.4
75.54712	1.1
82.31199	0.8
83.01382	2.5
85.02961	11.0
87.00880	4.2
89.02452	74.4
89.86709	0.8
90.02782	1.0
93.19666	1.1
95.01399	4.1
99.00869	1.2
101.02448	30.1
108.04090	1.0
113.02458	21.8
115.86367	0.9
119.03511	24.6
131.03510	4.1
143.03534	7.2
149.04590	2.4
161.04555	8.1
168.12573	0.8
179.05621	27.9
225.71245	1.1
248.68732	0.8
341.10913	30.2
342.11166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.95330	1.0
57.03453	1.7
58.00585	3.9
59.01386	100.0
60.01708	1.9
62.35063	1.1
69.67883	6.2
71.01390	69.4
72.01717	1.3
72.99311	2.9
73.02946	2.1
83.01379	1.2
85.02963	10.0
87.00865	3.4
89.02457	87.4
90.02803	2.3
95.01411	5.0
98.19939	1.3
99.04556	1.3
101.02458	34.0
113.02463	28.1
114.02795	1.3
116.44588	1.0
119.03513	37.5
125.00930	1.1
131.03502	4.5
135.04514	1.4
137.02467	1.2
143.03540	9.2
149.04565	3.4
161.04544	8.3
179.05641	29.4
195.21037	1.0
341.10916	45.5
342.11154	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	341.1091
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.80594	1.0
57.03455	1.9
58.00601	5.6
59.01385	100.0
60.01706	1.2
64.37701	1.1
71.01390	68.9
71.30708	1.3
72.01721	1.2
72.99322	3.2
73.02962	2.2
83.01413	2.6
85.02961	11.6
87.00895	5.2
89.02453	88.9
90.02808	2.4
93.03477	1.3
95.01405	2.9
99.24876	1.0
101.02452	35.4
109.95309	1.0
113.01714	2.1
113.02462	30.7
114.02750	0.9
116.25804	0.9
119.03511	34.3
119.04919	1.3
120.03841	1.2
131.03496	5.3
136.07681	1.5
137.02498	1.6
143.03519	7.8
149.04547	2.5
153.91707	1.0
161.04581	9.8
179.05629	38.3
180.06644	3.6
286.19379	1.0
341.10898	42.4
342.11215	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.58954	1.3
56.06730	1.1
57.03448	6.4
58.00597	1.9
59.01387	100.0
60.24014	1.4
66.81100	1.3
71.01009	2.4
71.01391	47.8
72.01716	1.2
72.99302	2.7
73.02956	30.8
74.62837	1.2
75.00861	3.3
83.01397	10.0
85.02452	2.3
85.02962	41.1
87.00875	3.2
89.02461	30.7
91.75838	1.2
93.03474	6.5
95.01375	3.4
99.00868	2.4
101.02463	31.7
111.00900	11.4
113.02457	24.7
119.03566	10.5
119.05042	30.8
125.02396	1.3
129.01939	11.9
131.03484	3.1
134.03726	3.5
135.04524	7.0
137.02460	19.2
137.06067	2.8
138.02823	1.4
143.03477	4.8
149.04619	1.8
149.05969	1.3
161.02483	2.1
161.04570	3.7
162.07048	1.3
164.04831	1.2
179.03488	5.5
179.05666	13.5
180.05907	1.3
184.36156	1.2
193.05052	3.4
205.03546	10.4
206.03885	1.6
223.04604	24.3
253.08556	1.6
281.10309	11.3
299.11456	3.6
341.10983	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07349	1.7
53.64346	1.4
53.70172	1.4
59.01388	16.5
71.01389	17.2
71.55766	2.5
83.05045	1.8
89.02454	14.1
101.02437	8.1
109.06640	1.9
113.02463	5.5
119.03510	3.7
137.09741	3.7
141.09236	39.5
143.03490	2.3
143.09071	1.8
145.08711	7.1
151.11205	2.1
155.10793	45.1
156.11086	2.9
161.04543	2.7
169.12340	4.7
171.10260	15.2
179.05629	3.8
199.09775	12.8
213.11353	6.0
217.10820	100.0
218.11229	3.8
240.82451	1.7
260.28983	1.7
279.72580	1.5
283.02365	2.2
293.07031	1.8
341.10770	5.7
341.23312	4.1
341.27002	3.0
363.27795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
51.76583	1.2
56.89369	1.0
57.03451	5.2
58.00596	3.6
59.01388	16.6
69.03461	2.6
69.48262	5.7
71.01391	14.0
71.05029	6.8
72.02209	1.5
73.02937	1.5
80.02686	2.9
81.03471	7.6
83.05036	7.1
85.02973	3.0
89.02464	15.2
90.05151	1.1
93.03448	2.2
95.01399	1.6
95.05051	6.6
97.02962	1.2
97.06603	3.7
98.03758	7.3
98.19863	1.5
101.02460	5.4
107.05095	1.4
108.02137	1.5
109.06609	35.9
110.06915	1.5
111.00909	1.6
111.04515	3.2
113.02464	4.3
113.06125	2.4
113.23357	1.3
119.03526	3.0
119.05123	1.6
121.06586	1.3
123.04552	2.2
123.08147	6.6
125.06125	2.7
125.09748	26.1
126.10069	1.8
127.07655	13.0
127.11308	12.9
131.34093	1.4
135.08188	2.9
137.09752	2.3
139.11345	2.0
141.09250	2.3
143.03572	1.4
151.07677	5.2
151.11299	3.0
153.09198	3.2
155.10794	4.3
163.11375	3.0
165.09218	5.1
165.12828	1.5
171.10265	14.4
177.09122	1.5
179.05647	4.4
183.10139	2.1
185.11882	6.6
195.10321	4.9
197.11842	4.9
199.09785	6.6
199.13382	3.5
201.11345	100.0
202.11714	5.1
207.15981	1.5
209.11850	34.5
210.12224	3.3
213.11349	66.5
214.11684	4.1
227.12938	5.3
235.13394	1.7
239.12924	2.8
249.14970	2.1
251.12897	27.7
252.08032	1.7
252.13287	3.2
253.14598	1.3
265.14536	4.1
270.29050	1.3
287.16562	21.5
288.17065	2.9
297.11688	1.3
305.14420	1.7
305.17630	20.4
306.18155	1.3
323.18674	31.3
324.19003	3.6
341.10947	8.2
341.19745	67.0
342.20197	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	5.7
58.00599	2.6
59.01386	39.2
65.03959	2.0
65.55509	1.4
67.01910	1.8
69.03466	5.6
69.63132	8.2
69.63554	3.5
71.01385	27.2
71.05032	32.0
72.99296	2.1
73.02974	2.1
80.02686	3.0
81.03461	29.5
83.01417	3.3
83.05040	23.2
84.02187	3.6
85.02962	6.4
87.00892	3.0
87.04535	3.2
89.02457	30.1
93.03482	5.0
95.01416	2.4
95.05039	16.6
97.02947	8.4
97.06599	5.0
99.04539	34.5
101.02461	13.9
101.06088	2.0
107.05039	2.1
108.02225	1.8
109.02955	5.4
109.06592	12.4
110.03738	2.6
111.04555	10.4
111.08144	1.6
113.02467	11.0
115.00392	3.7
119.03507	10.6
119.05021	4.3
121.03007	3.3
121.06544	3.7
123.04515	3.0
123.08184	4.6
125.09738	6.9
127.07642	3.0
131.03546	1.9
133.06625	2.5
135.08200	3.7
137.09749	2.0
143.03529	3.2
145.01411	8.7
151.07672	12.3
153.09216	3.3
155.10733	2.1
161.04567	3.1
165.09210	2.2
165.13020	2.0
168.57809	1.8
171.10286	47.1
172.10707	3.0
179.05699	9.5
185.11865	6.3
189.12904	4.7
191.14423	5.4
193.12349	18.0
195.13971	2.4
200.77597	1.5
201.11336	6.3
203.14473	2.4
205.16107	1.8
209.11888	5.0
209.15511	2.2
211.13477	4.0
213.14951	4.2
221.15413	1.6
223.13434	3.5
225.15068	1.8
233.11925	1.9
235.13412	41.4
236.13770	3.7
237.15128	2.3
239.12910	5.4
243.17572	6.8
251.12888	3.3
253.14467	100.0
254.14771	8.5
258.07043	1.7
269.15274	1.5
287.16556	24.1
288.16833	1.8
305.17648	15.6
312.99838	1.9
323.18640	7.2
341.07062	2.8
341.10956	15.5
341.15930	3.6
341.19745	32.6
341.23700	3.2
342.20020	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50174	1.1
50.76881	1.0
55.01870	1.9
57.03439	2.5
57.68270	1.0
58.00595	2.4
59.01385	23.6
69.03475	1.9
71.01390	19.0
71.05030	15.7
71.56983	1.4
80.47564	1.2
81.03468	37.8
83.01403	1.1
83.04568	2.3
83.05038	30.0
85.02972	4.0
85.06593	1.4
87.00886	2.4
89.02456	19.5
93.03473	20.7
95.01389	3.1
95.05057	5.4
96.02184	1.1
96.95983	1.1
97.02981	3.7
97.06601	1.2
99.00877	1.4
99.04539	1.0
101.02441	8.1
105.07101	2.1
107.05053	3.9
109.02965	3.0
109.06576	7.6
110.03744	1.8
111.04534	76.6
112.04846	2.3
113.02434	7.3
119.03522	7.6
121.06622	1.7
121.59998	1.0
122.03742	3.5
123.04544	14.2
123.08166	2.6
125.02483	1.8
125.09757	5.9
127.07687	3.0
127.11308	4.1
131.03459	1.6
133.06648	2.0
135.04561	2.1
136.05302	1.3
139.07652	7.3
143.03572	1.9
147.07071	1.2
151.07668	52.4
152.08000	1.4
153.09251	1.4
161.04543	1.3
164.04781	3.4
165.09235	1.6
169.08723	31.4
170.09106	1.6
171.10294	100.0
172.10674	6.0
173.04510	1.3
179.05646	7.8
179.07124	1.6
185.11777	1.2
189.83296	1.1
195.10355	1.2
201.11337	22.6
202.11673	1.8
209.11899	1.9
213.11360	15.3
214.11934	1.1
251.12886	6.0
265.14368	1.6
287.16660	6.4
298.04855	1.9
305.17545	4.5
323.18549	5.0
341.06915	1.6
341.10873	12.1
341.15982	2.3
341.19659	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.3
70.72115	2.1
71.01383	11.1
71.55234	2.1
81.82568	1.4
85.02956	3.0
89.02471	15.1
99.00896	3.8
101.02483	5.3
103.07726	1.6
110.03770	1.6
113.02452	3.1
115.46254	1.4
119.03533	2.8
128.58369	1.6
135.66138	1.7
157.08577	1.6
169.23175	1.4
179.05649	5.0
223.20712	5.1
258.29141	1.7
261.22299	3.2
279.23254	12.8
280.23865	2.2
294.08600	1.6
297.24405	12.6
298.24664	1.7
305.21228	34.3
305.24365	2.8
306.21512	2.7
310.63004	1.4
323.22275	26.7
324.22589	3.5
341.10886	6.3
341.23380	100.0
341.26956	8.6
342.23563	14.9
358.04028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46366	0.6
59.01376	2.4
66.66891	0.5
69.03449	1.8
69.88766	0.6
70.84325	0.8
70.84648	1.3
71.01375	1.1
80.86256	0.6
81.98650	0.5
83.05026	1.7
84.02169	9.0
86.05651	0.6
89.02455	1.5
97.02972	6.2
97.06601	10.3
99.04542	2.2
111.08160	0.6
119.08674	1.4
125.09712	1.8
131.66597	0.6
135.08124	1.2
136.96918	0.7
137.09714	1.7
171.10291	30.8
172.10605	2.1
175.11307	1.3
177.12799	1.0
179.05597	0.8
183.13890	0.8
193.12346	14.4
211.13383	2.8
221.11862	1.5
221.29196	0.7
225.14996	17.2
226.15256	1.6
239.12729	1.2
243.16074	7.8
253.14377	1.9
281.19577	0.6
291.19702	3.8
323.22217	0.9
326.38608	0.6
341.23337	100.0
342.23672	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07374	0.5
55.00455	0.5
57.59904	0.7
59.01378	3.8
69.03447	1.6
71.01380	1.8
72.55486	0.5
83.05044	0.7
84.02177	18.8
89.02454	2.4
97.02966	7.8
97.06622	4.2
99.04523	4.7
101.02447	1.7
101.99711	0.5
119.03544	0.7
119.08707	2.7
125.09730	1.6
127.11310	1.9
135.08186	1.7
137.09747	1.6
151.11314	0.7
155.07217	0.6
171.10289	53.6
172.10623	2.2
175.11363	0.7
179.05618	1.2
193.12328	5.7
211.13464	0.9
225.15013	7.6
239.12943	0.9
243.15988	2.4
253.14378	0.8
269.93686	0.6
273.18753	1.0
285.74005	0.6
291.19727	1.6
341.23358	100.0
342.23685	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54520	0.8
54.42316	0.8
57.03445	0.9
58.88358	0.8
59.01386	13.2
60.18314	0.9
61.98829	1.2
70.96504	2.0
71.01389	9.8
78.07533	0.7
79.40073	0.9
81.03453	1.0
81.45620	0.8
85.02959	1.9
87.00860	1.1
89.02458	11.3
95.01370	1.0
95.05060	1.0
96.95956	1.2
97.06618	0.9
101.01888	0.9
101.02443	4.8
113.02465	3.9
113.09708	1.4
119.03518	4.0
123.04517	2.9
123.08186	2.1
125.02438	1.0
125.09744	2.7
127.07674	1.7
143.03462	1.2
151.11287	5.9
153.09276	5.2
153.12839	1.2
154.10002	1.8
161.04579	1.9
169.12340	2.5
171.10287	2.2
171.92206	0.9
177.12930	1.2
179.05617	4.3
183.01167	1.2
193.12378	1.0
195.13857	1.2
213.11388	4.6
221.11844	1.2
224.67224	0.8
239.13023	1.3
247.20729	9.3
248.20924	1.3
265.21759	1.2
291.19690	100.0
292.20078	9.9
309.20728	39.2
310.21094	3.6
334.27103	0.8
341.07037	1.5
341.10776	5.1
341.23352	62.9
342.23743	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	341.2698
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
57.03452	0.6
59.01386	1.5
60.56940	0.2
61.00640	0.3
69.03450	0.3
71.01382	1.1
71.04993	0.3
71.55733	0.3
71.71815	0.3
89.02458	1.0
95.97364	0.3
101.02449	0.5
119.03485	0.5
161.87671	0.3
179.05600	0.3
251.23842	0.6
263.23709	0.4
277.25452	1.1
279.26953	68.3
280.27310	8.0
294.65097	0.3
297.25015	0.4
297.27963	1.8
298.28186	0.3
309.48572	0.3
323.25940	21.7
324.26291	2.6
325.08075	0.2
341.26984	100.0
342.27322	14.4
342.31625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07312	0.5
59.01392	6.4
70.50990	1.1
70.51349	1.0
71.01398	1.4
75.41276	0.6
86.63355	0.6
89.02441	1.4
98.19952	0.6
163.11275	2.4
164.11674	3.8
165.11932	2.1
179.05574	0.7
179.42342	0.5
185.00797	3.1
199.00713	0.7
266.76135	0.6
279.26727	0.9
281.24945	1.4
281.28412	1.2
295.30261	1.0
299.26102	0.6
321.17459	0.6
323.29395	1.3
339.29062	1.1
341.19791	5.7
341.23871	6.6
341.30615	100.0
342.27209	0.9
342.30878	11.9
342.34644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3064
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
54.13491	0.3
54.32553	0.3
59.01401	1.8
59.23035	0.3
70.69664	0.8
71.01386	0.9
71.05016	0.3
89.02448	0.9
113.02421	0.5
163.11366	0.3
164.11618	0.8
165.11833	0.5
184.01424	0.4
184.99078	0.3
185.00725	1.9
193.01596	0.4
196.99124	0.4
207.25017	0.4
219.98561	0.3
265.25400	1.1
281.24988	0.4
295.30072	3.1
296.30246	0.4
299.25693	0.4
309.24423	0.4
323.29712	1.2
339.29187	0.7
341.20145	3.4
341.30624	100.0
342.30957	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3063
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
57.03467	1.1
57.20707	0.7
59.01389	1.3
68.53773	0.7
69.51791	5.3
71.05025	19.7
73.02950	1.0
83.05028	1.3
89.02517	1.2
119.03520	0.8
119.77020	0.8
185.00824	0.7
216.11160	0.8
267.26920	3.0
281.28519	22.6
282.28815	2.8
323.29575	12.3
324.29956	1.6
341.19922	3.6
341.30621	100.0
342.30963	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	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
55.74203	1.2
57.03460	9.3
59.01390	7.8
71.01398	5.6
71.55405	2.2
72.99330	1.7
73.02967	1.4
73.98310	1.8
75.00871	3.3
83.01390	6.0
84.02175	1.4
85.02961	57.7
87.00887	1.4
89.02473	1.2
93.03470	63.7
94.03770	2.6
99.00920	1.5
101.02458	3.8
109.02973	1.9
109.06609	1.5
111.00893	13.7
117.97356	6.3
118.98120	2.5
129.01982	16.6
135.04523	1.5
137.02470	100.0
138.02783	3.5
149.09895	1.3
160.79759	1.2
161.04584	3.1
161.09692	3.0
162.05595	1.8
179.05670	1.9
187.02431	1.5
205.03568	28.0
206.03979	1.6
255.10234	3.4
343.08392	4.0
343.12317	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	343.0824
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
59.01384	5.8
61.98841	0.8
62.85592	0.8
63.54052	0.8
64.42396	0.8
65.00342	0.8
65.58171	0.8
68.42012	0.7
69.59635	1.4
69.60043	3.9
71.01408	1.1
71.30894	0.8
71.47584	0.7
74.62654	0.8
77.60693	0.7
79.95732	0.8
89.02433	0.8
97.02940	0.9
97.79064	0.8
108.02203	1.4
109.02949	3.1
111.00890	1.3
111.08165	2.2
123.00923	4.6
123.08157	1.4
124.01698	4.8
125.09699	2.1
127.11310	1.7
133.16737	0.7
134.03745	0.7
135.08144	1.8
136.01672	20.6
137.02463	3.0
148.05325	1.0
149.06100	2.3
151.04024	17.6
153.09264	0.8
155.10829	0.8
161.02484	1.8
163.04120	0.9
165.01927	3.4
165.05583	5.4
169.26122	0.9
171.10283	17.8
175.07632	2.9
176.08348	1.1
185.11874	1.8
187.00377	1.3
191.07127	1.9
197.11833	1.6
198.03174	5.2
201.11353	9.9
203.07213	1.1
209.11803	1.1
211.13390	1.0
213.05499	1.6
213.11313	4.2
214.02760	2.7
215.12912	11.9
216.13315	1.0
226.02725	47.4
227.03079	3.6
229.05078	2.5
229.14380	0.9
230.36780	0.8
239.83806	0.9
241.05074	22.2
242.02267	9.1
242.05478	2.0
243.02696	1.6
253.01520	2.5
257.04568	8.0
270.01682	2.4
271.02252	1.0
284.03275	2.1
285.04059	32.2
286.04373	2.6
289.18091	1.2
295.09885	1.0
299.05728	1.3
307.19208	3.0
313.03561	99.5
314.03934	10.4
324.14304	0.9
325.14294	1.7
325.20114	4.7
327.05267	4.3
328.05896	63.7
328.13193	5.0
329.06232	7.2
329.13696	1.1
343.08258	100.0
343.15530	19.6
343.21283	21.4
344.08582	11.9
344.15759	1.5
344.21609	2.6
367.56775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
52.36073	3.2
53.21208	3.6
59.01382	18.4
71.56007	4.7
83.01402	71.9
140.15096	4.5
215.03394	4.1
229.05077	7.2
231.06651	59.6
242.55035	4.8
255.06619	6.8
257.04544	8.9
259.06192	54.5
299.09229	8.5
313.03525	43.0
314.03653	6.9
327.05579	4.3
328.02078	8.5
328.05872	96.4
329.06180	10.8
343.08255	100.0
343.28555	5.6
344.08545	12.2
362.36127	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	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57379	0.4
56.82899	0.4
59.01389	8.7
59.91579	0.4
62.78987	0.4
63.67351	0.4
69.96777	1.5
71.01391	2.3
73.02969	0.6
79.86069	0.5
83.01418	0.9
85.02956	1.3
93.03452	0.9
95.01393	6.8
101.02468	1.5
107.05048	0.9
108.02185	0.9
109.02957	1.7
111.00909	0.5
113.02469	1.0
119.02485	0.5
119.05036	1.4
121.02991	2.3
122.03786	0.6
123.00904	100.0
124.01700	37.2
125.02074	1.6
135.04578	1.1
136.01714	0.6
137.02467	2.0
138.03250	53.4
139.04041	51.9
140.04378	2.1
147.03282	0.5
149.02477	1.3
150.03244	1.2
151.04008	1.2
161.04626	1.2
162.05615	1.3
163.04050	0.8
163.14809	0.5
165.01929	1.8
165.05585	0.5
166.02711	1.8
178.02731	0.9
181.05075	7.0
193.05048	1.7
229.45204	0.5
236.80827	0.5
255.10352	0.7
282.09048	0.7
283.08377	1.3
328.08151	0.6
343.10327	6.7
344.10626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01716	1.6
62.25888	1.1
69.50635	8.3
69.80379	1.1
71.01389	5.7
76.87795	1.0
78.95902	3.8
85.02942	1.3
85.77074	1.0
89.02436	4.8
101.02446	2.0
109.62823	1.0
113.02486	2.1
119.03544	2.9
121.02996	1.5
128.02283	1.0
130.08757	1.8
134.04745	7.9
137.02460	1.3
155.19664	1.1
184.68202	1.1
191.05637	1.2
194.00026	1.1
222.78468	1.0
328.09155	1.5
343.08279	1.5
343.11938	2.5
343.24365	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	343.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11083	0.7
55.86124	0.6
59.01386	100.0
60.01722	1.3
70.01874	0.6
71.01384	4.3
71.55458	0.7
80.22800	0.6
85.02969	0.9
88.38646	0.6
89.02452	4.8
96.96042	0.9
101.02468	1.8
113.02499	2.0
119.03538	2.6
121.02998	1.3
123.00858	0.6
129.55820	0.6
135.04555	1.0
160.53963	0.6
161.04570	0.8
163.04016	0.8
164.04898	1.1
176.03516	0.5
179.03520	0.8
191.05644	0.7
235.61957	0.7
242.06033	0.9
257.08331	1.6
281.15958	0.6
299.05438	0.6
299.09332	0.8
325.11072	1.2
328.09805	0.7
343.08096	1.0
343.11679	3.6
343.21555	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	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03452	3.6
59.01392	2.6
61.98058	0.4
69.03461	1.1
71.01384	1.1
71.05025	3.2
71.23783	1.0
71.98806	0.6
73.02972	0.8
80.02660	0.5
81.03498	1.3
83.05028	3.7
84.02178	4.1
85.02967	3.5
85.06602	2.2
87.04520	3.6
93.03458	0.6
95.05037	7.7
97.02935	0.6
97.06610	2.6
102.25916	0.7
106.04282	0.9
109.06617	0.9
111.00871	0.7
111.04499	0.8
113.06116	2.2
115.07679	1.0
118.29102	0.5
123.08202	1.2
125.09736	2.2
127.11287	2.2
133.06621	0.6
135.08170	1.7
153.09225	1.3
153.44945	0.5
163.11324	0.9
165.12820	1.0
167.14436	1.5
171.10292	27.7
172.10628	1.4
177.12796	1.2
180.99641	0.7
183.13902	1.7
185.11894	1.5
193.12375	0.6
193.15976	0.8
195.13969	0.9
197.11877	1.0
201.11339	2.1
209.11894	3.7
211.13419	15.2
212.13707	1.5
221.11861	2.1
229.14458	20.6
230.14824	1.2
237.14977	12.5
237.17227	1.0
238.15347	0.7
239.12936	1.2
245.19031	0.8
249.14992	2.7
250.15257	0.7
255.16158	1.5
267.16040	1.5
289.18137	2.2
296.38107	0.6
307.19180	1.8
325.20215	9.3
326.20755	1.3
343.21274	100.0
344.21616	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.88332	0.5
56.99997	0.5
59.01380	1.9
69.03437	1.2
70.29588	1.4
78.12424	0.5
81.03461	0.5
83.05041	1.0
97.06609	1.1
99.08167	5.1
121.10244	6.5
123.08172	0.7
125.09701	3.7
127.11330	1.4
137.09734	2.5
139.11353	1.4
165.09224	0.7
171.10289	41.2
172.10631	2.2
188.97296	0.5
193.12367	8.4
201.11414	2.6
211.13403	1.5
225.15002	9.9
243.16048	4.0
244.16451	0.6
250.99463	0.6
271.61182	0.6
281.21381	0.6
293.21228	3.8
295.78690	0.7
343.24915	100.0
344.25272	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	343.2493
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.32411	0.3
57.03438	0.5
59.01380	2.3
66.34472	0.3
69.03463	2.0
69.85083	1.2
71.01401	0.3
74.36308	0.3
81.03450	0.4
83.05027	1.0
93.03442	0.3
97.06572	0.9
99.08171	8.5
101.39157	0.3
109.06641	0.4
111.08162	0.3
121.02966	0.6
121.10243	3.8
123.08164	0.3
125.09748	1.6
127.11323	1.0
137.09737	1.8
139.11330	1.4
149.13451	0.6
151.04028	0.3
151.11229	0.4
153.09225	0.5
162.71742	0.3
165.09279	0.4
165.12859	0.6
167.10684	0.3
171.10301	20.3
172.10619	0.9
175.11310	0.9
176.80136	0.3
193.12367	13.7
194.12607	0.6
197.15512	0.5
201.02588	0.5
209.11877	0.4
209.67557	0.3
211.13396	3.1
215.12872	0.3
225.14987	19.7
226.02740	0.7
226.15259	1.3
235.26042	0.4
243.16019	6.9
244.16368	0.4
260.85880	0.3
285.04077	0.6
289.18146	4.5
290.00851	0.4
290.18521	0.5
293.21182	2.7
294.16040	0.4
296.89920	0.3
307.04172	0.4
307.19165	0.6
311.22327	1.0
313.03522	1.6
325.20273	0.5
325.23932	0.5
328.05954	0.9
343.08279	1.1
343.24911	100.0
344.25229	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	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73069	0.5
59.01383	1.4
69.23462	3.8
69.23870	1.2
69.40015	0.5
71.01338	0.4
88.77997	0.4
98.20607	1.0
113.09758	0.6
121.10252	10.4
122.10624	0.7
125.09754	1.3
127.11286	1.4
137.09738	2.0
139.11325	3.3
153.09190	0.9
153.12848	0.7
157.50865	0.5
165.09138	0.7
171.10292	66.4
172.10669	3.1
189.20938	0.5
201.02667	0.8
286.23907	0.6
293.21350	1.1
343.24921	100.0
344.25281	12.1
365.76352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77440	2.0
58.02925	1.9
59.01379	7.1
60.04548	12.7
69.67924	9.8
70.02985	12.7
72.00923	3.2
75.35069	1.7
86.02483	11.2
88.03594	1.5
88.04049	99.3
100.04058	100.0
101.04361	2.8
125.68197	1.8
136.96634	2.0
166.18123	1.6
223.20677	2.3
225.22255	12.1
226.22574	2.7
241.21730	2.6
253.21794	10.4
255.23299	21.4
256.23825	2.1
267.23315	35.8
268.23584	3.9
278.24911	6.9
284.26105	6.1
290.97260	2.3
308.25964	23.2
312.25552	8.2
316.28622	7.9
326.27103	2.9
344.28143	71.6
345.28403	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	345.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99658	1.3
57.03424	1.1
59.01387	7.6
64.44598	1.1
69.62812	4.6
69.63224	2.2
71.01397	3.2
73.98319	1.3
74.99110	7.7
74.99453	1.3
77.28448	1.1
77.43819	1.1
85.02973	5.6
87.00885	1.6
88.04032	2.1
89.02459	1.8
93.03459	9.8
101.02461	1.4
109.02939	2.4
111.04526	1.9
118.98111	11.3
120.99669	100.0
121.02951	2.2
121.99950	1.3
123.00882	1.3
124.79403	1.1
126.87367	1.1
135.04543	4.0
136.99182	3.2
149.02457	12.2
161.09741	8.0
164.04814	16.0
173.04544	6.7
179.03534	1.7
179.07155	13.7
179.10651	1.2
191.05652	13.7
204.06633	1.4
208.03767	1.4
223.06180	2.9
227.07103	2.9
239.07074	1.4
279.44208	1.1
297.84055	1.3
321.22067	1.4
327.13602	4.7
345.10181	11.8
345.14197	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	345.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	1.3
59.01111	1.6
59.01389	22.1
69.03465	1.7
69.20671	3.8
69.21091	5.8
74.02479	1.4
74.99111	1.3
85.02975	1.5
86.80888	0.9
87.00887	10.1
89.75403	0.9
93.03468	1.6
95.05004	1.0
101.00649	1.7
102.98612	1.9
103.93513	1.0
107.05056	1.7
109.06548	2.1
119.04976	1.1
120.99666	31.1
123.08131	1.8
133.06616	2.7
141.05556	1.6
143.04620	2.6
143.08691	7.4
145.06604	2.1
149.09743	13.9
161.09735	78.6
162.10101	4.1
163.07620	2.0
177.03409	4.9
179.03748	1.2
179.05356	1.9
179.10773	14.0
190.70110	1.0
194.03162	0.9
197.06416	7.0
199.22086	0.8
227.07700	1.0
239.07550	7.5
257.08548	21.1
258.08887	2.1
309.93109	1.0
311.23297	1.1
327.09174	3.2
345.10153	100.0
346.10547	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14772	27.4
55.49723	23.8
59.01379	56.4
61.98824	49.7
71.55818	41.6
101.63088	27.4
101.69138	28.0
118.84103	29.1
171.10326	46.5
186.95609	80.8
222.05850	27.4
248.96071	74.5
290.97101	100.0
291.19675	92.7
291.64160	26.6
305.17929	25.8
309.20767	93.4
320.40741	26.8
345.13876	43.8
345.20871	40.8
345.25433	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86980	46.5
70.87315	41.4
88.04073	44.3
96.43253	22.8
107.89672	24.1
112.18729	25.4
133.11044	25.7
280.61389	26.9
291.19769	31.6
301.18301	33.7
309.20670	65.6
309.62085	24.9
345.24277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.7
59.28828	6.0
61.98845	7.4
71.56111	8.0
78.25020	5.8
151.11284	9.3
180.59630	6.5
186.95584	7.9
186.99530	5.8
247.20840	10.2
266.73557	8.1
275.37061	10.4
290.97177	19.7
291.19711	100.0
292.20178	15.1
296.06467	6.3
309.20761	84.5
344.94455	7.5
345.20673	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	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
53.03948	0.7
57.03456	1.3
58.00599	1.6
59.01395	3.0
61.98829	1.1
69.03461	1.0
70.10865	1.7
71.01398	1.7
73.02956	2.6
84.02171	1.6
91.30985	0.6
95.52926	0.6
96.96018	1.0
99.08166	2.6
111.08156	0.9
113.09726	3.2
113.50861	0.6
123.08160	0.8
125.09750	4.2
127.07700	1.2
127.11286	2.6
129.09236	2.2
137.09743	1.9
141.09274	4.3
141.12848	0.8
143.10802	1.5
155.10789	1.4
169.12384	0.8
171.10278	27.4
172.10611	1.4
183.10251	0.9
185.11853	7.3
186.95714	0.6
197.11847	7.5
199.13475	1.3
201.11345	10.3
203.12914	1.5
209.11862	2.2
213.11343	2.1
215.12883	6.4
227.12834	1.1
248.95920	0.7
290.97125	2.1
291.19693	1.1
309.20526	0.8
327.21793	6.6
345.22839	100.0
346.23157	13.3
346.27148	0.8
362.04413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2285
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.21804	0.5
57.03454	2.8
59.01372	1.7
63.81301	0.5
69.03426	0.5
69.87733	0.5
70.49290	0.5
71.01379	1.0
71.05013	1.7
71.58172	0.5
73.02931	1.1
79.95746	0.5
83.05025	1.4
85.02960	1.2
85.06616	3.1
88.28692	0.4
93.03454	0.7
95.01406	0.5
97.06587	1.6
101.02434	0.7
115.07669	4.5
125.09709	2.1
127.11293	2.0
135.04533	0.8
137.09773	0.6
155.14386	1.3
161.02452	0.5
165.12891	0.8
167.14392	1.3
171.10347	2.9
183.13914	5.6
187.04115	0.5
193.12392	1.9
201.11362	0.7
209.11809	2.0
211.13419	28.8
212.13698	1.8
229.14465	24.6
229.16788	0.9
230.14763	1.5
286.08475	1.1
301.10965	1.3
309.20801	0.6
327.21701	0.9
339.24829	0.6
345.10031	1.5
345.22842	100.0
346.23160	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27575	0.4
51.27771	0.4
52.80474	0.4
58.59784	0.4
59.01384	20.5
60.01722	2.3
60.01984	0.4
61.01805	0.6
61.98836	100.0
69.54996	0.4
71.04229	0.4
71.04546	1.1
85.02962	0.5
96.95975	0.5
113.02471	0.5
133.05959	0.4
158.03851	0.6
159.03368	0.7
201.02527	3.1
202.02727	9.0
203.02306	12.5
204.00005	46.8
204.02664	3.5
205.00189	4.6
346.00867	0.6
359.77185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77363	1.1
56.98032	4.3
58.99612	59.5
59.01389	9.3
60.97520	2.6
63.96231	2.7
67.56573	1.2
69.29292	2.2
69.29693	9.4
69.78011	1.1
69.78465	1.1
71.01385	3.8
72.99314	6.7
73.02950	1.1
73.98326	2.9
74.99104	95.6
75.99414	1.4
78.95942	1.2
85.02939	1.6
87.00882	12.1
89.02469	2.6
98.19805	2.3
101.02456	4.2
109.02934	3.2
113.02485	2.8
117.97321	1.5
118.98087	2.6
120.99677	8.1
123.00874	3.7
127.21783	1.2
135.04512	3.6
135.98349	6.5
136.99159	100.0
137.99442	1.8
147.01198	2.4
149.02428	5.4
149.06079	2.4
151.00380	15.8
153.05542	2.1
154.99934	1.6
161.02419	1.6
161.06152	1.9
164.04811	7.1
164.71706	1.5
166.02744	26.3
166.04984	1.9
167.05470	1.8
170.02217	3.0
171.04581	2.1
176.04854	1.4
177.05591	4.4
179.03493	2.2
179.07167	16.0
181.05066	20.9
182.05525	1.8
184.00195	2.0
185.04564	1.8
189.05571	14.5
190.05930	1.3
193.08684	4.9
207.06656	2.4
209.08189	1.4
221.04720	2.0
241.05379	8.0
259.06369	2.2
311.07831	3.5
347.08273	20.8
347.12662	2.0
348.08359	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	347.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50991	1.8
59.01385	100.0
60.75311	1.8
61.98829	2.8
71.01400	4.5
71.55839	1.9
86.00121	2.1
96.96012	2.5
101.02464	2.4
133.51781	2.0
150.79227	2.0
154.15070	1.8
161.04530	2.6
176.54353	2.1
213.14960	3.3
228.02521	2.2
238.95660	2.1
246.73137	1.9
347.18665	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	347.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68598	1.2
59.01385	100.0
60.01716	1.6
69.90701	6.1
91.04022	1.4
98.20697	1.3
100.64819	1.2
137.15166	1.1
161.04555	1.3
213.14938	3.8
263.89960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11354	0.3
59.01381	1.1
61.98837	100.0
62.98536	0.8
63.99258	1.4
66.50967	0.2
71.54121	0.3
98.76170	0.3
101.32949	0.2
134.54443	0.3
146.95233	0.4
159.78618	0.3
162.98492	1.2
184.27794	0.3
204.00027	2.0
205.00125	5.3
205.97791	0.3
205.99751	7.5
206.97469	46.7
207.00166	1.3
207.97588	3.8
207.99709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55617	1.0
55.57964	0.7
59.01386	100.0
64.60970	0.9
69.33385	1.1
69.33782	6.9
69.69257	1.0
75.78909	0.8
99.12052	0.8
130.35535	0.8
158.66931	0.8
218.35439	0.8
338.05957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
59.62755	1.3
70.11340	2.8
70.11736	2.7
72.96947	1.3
96.96023	6.2
121.10265	7.4
125.09724	3.5
152.03835	1.2
160.01602	2.3
161.09734	1.2
174.50401	1.1
175.04012	3.7
185.11865	4.7
197.11664	1.5
207.10115	4.0
241.58759	1.1
245.19118	6.4
265.14761	1.3
271.63654	1.3
291.19666	21.1
292.19958	1.9
299.01001	1.2
302.91470	1.3
313.17862	100.0
314.18225	13.2
349.15366	9.2
349.19742	1.7
349.23874	2.8
349.27576	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	349.1872
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.60233	0.8
55.01879	2.6
55.76350	0.7
57.03454	4.9
58.00615	3.8
59.01384	100.0
60.01696	1.3
62.31194	0.7
67.01891	1.0
68.99808	1.0
69.03461	1.2
69.35464	5.4
69.35871	1.3
71.01388	85.9
72.01730	2.1
72.76987	0.7
72.99308	6.4
73.02950	12.1
75.00882	10.4
81.03464	0.7
83.01402	5.4
84.02201	0.9
85.02957	31.5
86.02476	1.8
87.00885	7.6
87.04516	3.7
88.45004	0.7
89.02455	63.2
90.02763	1.2
93.03511	0.9
95.01408	7.7
95.01979	0.9
97.02987	0.9
98.19837	1.4
99.00890	10.7
99.04527	48.6
100.04882	0.9
101.02455	49.1
103.00372	2.0
112.09502	0.8
113.02460	42.6
114.02822	1.5
115.00432	1.4
117.01940	2.4
119.03515	23.1
125.02469	1.4
127.08878	1.0
128.03552	10.8
129.01968	1.8
131.03522	1.5
133.06934	7.0
143.03482	4.7
149.04568	1.9
159.03050	3.2
161.04565	19.5
162.04837	0.9
171.07799	4.6
175.02556	1.5
175.03990	0.9
179.05634	4.1
185.11938	0.9
187.13411	11.8
191.05629	1.0
205.07294	1.3
220.10201	1.2
229.14421	0.9
231.05205	1.6
249.06190	14.8
249.08539	1.4
250.06607	1.0
267.07239	12.2
268.07660	1.1
305.11496	0.9
349.11456	35.8
349.18533	21.2
350.11771	2.9
350.19019	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	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60233	0.8
55.01879	2.6
55.76350	0.7
57.03454	4.9
58.00615	3.8
59.01384	100.0
60.01696	1.3
62.31194	0.7
67.01891	1.0
68.99808	1.0
69.03461	1.2
69.35464	5.4
69.35871	1.3
71.01388	85.9
72.01730	2.1
72.76987	0.7
72.99308	6.4
73.02950	12.1
75.00882	10.4
81.03464	0.7
83.01402	5.4
84.02201	0.9
85.02957	31.5
86.02476	1.8
87.00885	7.6
87.04516	3.7
88.45004	0.7
89.02455	63.2
90.02763	1.2
93.03511	0.9
95.01408	7.7
95.01979	0.9
97.02987	0.9
98.19837	1.4
99.00890	10.7
99.04527	48.6
100.04882	0.9
101.02455	49.1
103.00372	2.0
112.09502	0.8
113.02460	42.6
114.02822	1.5
115.00432	1.4
117.01940	2.4
119.03515	23.1
125.02469	1.4
127.08878	1.0
128.03552	10.8
129.01968	1.8
131.03522	1.5
133.06934	7.0
143.03482	4.7
149.04568	1.9
159.03050	3.2
161.04565	19.5
162.04837	0.9
171.07799	4.6
175.02556	1.5
175.03990	0.9
179.05634	4.1
185.11938	0.9
187.13411	11.8
191.05629	1.0
205.07294	1.3
220.10201	1.2
229.14421	0.9
231.05205	1.6
249.06190	14.8
249.08539	1.4
250.06607	1.0
267.07239	12.2
268.07660	1.1
305.11496	0.9
349.11456	35.8
349.18533	21.2
350.11771	2.9
350.19019	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	349.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45041	16.0
59.01387	52.2
64.92295	16.8
70.60303	25.1
70.60645	41.9
71.01377	19.1
89.02482	16.9
96.96029	34.4
118.58775	18.6
123.36944	17.1
160.01704	29.0
166.58226	18.2
175.03992	73.9
278.73401	16.5
305.21155	20.1
311.21725	64.6
349.08978	20.3
349.20181	52.3
349.23932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50066	20.6
51.13480	16.2
54.52153	19.5
57.88645	18.8
59.01379	62.3
69.66679	100.0
81.46528	17.9
96.96019	77.5
105.67094	17.1
108.04774	19.6
121.42398	18.7
154.29810	19.0
160.01672	85.6
174.88159	20.1
175.04041	79.4
197.00391	25.5
311.22198	37.1
316.84186	21.0
349.09210	45.0
349.16635	34.9
349.20239	43.3
349.23752	61.1
361.71268	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	349.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	50.8
71.01397	18.3
72.20988	14.7
96.96017	31.1
98.19830	23.9
106.82997	14.1
113.44188	14.4
139.11320	16.7
160.01700	33.2
175.03970	69.0
222.22780	14.5
305.21225	50.2
311.22141	32.5
313.23566	30.2
349.09357	31.6
349.20633	100.0
349.23972	40.3
349.27454	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.202
Annotation	Thromboxane A3
Peak:m/z	Relative Intensity
51.26087	0.8
59.01368	2.8
67.42233	0.7
71.01386	0.7
77.55200	0.7
83.05021	1.6
83.73018	0.7
96.96017	2.1
98.19750	1.4
98.33133	0.7
114.03318	0.7
135.08173	0.8
160.01689	2.1
175.03993	2.1
242.13072	4.7
253.15982	4.0
254.16441	0.8
271.17017	19.7
272.17438	2.1
287.20175	50.0
288.20502	5.8
305.21222	9.6
306.21609	1.2
331.19104	3.2
349.20206	100.0
350.20477	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03440	2.3
59.01387	13.0
67.01899	0.8
68.99809	0.8
69.03453	0.7
71.01392	12.1
71.01815	1.1
72.99320	4.3
73.02946	0.6
75.00879	15.3
83.01419	0.8
84.02207	0.6
85.02958	14.8
87.00890	6.5
89.02452	2.0
93.03429	1.1
95.01376	3.8
97.01346	0.7
99.00886	8.7
101.06094	100.0
101.94793	0.7
102.06430	2.6
103.00369	2.0
111.00856	1.0
113.02463	24.1
114.02775	0.7
115.00348	1.8
117.01974	2.9
127.90760	0.6
129.01945	1.7
132.55124	0.7
138.44147	0.6
157.01474	0.8
175.02483	2.1
181.39188	0.7
189.04120	0.7
205.07185	1.3
231.05069	2.8
249.06174	20.4
250.06477	1.4
267.07227	2.9
291.10834	0.9
333.11856	3.3
351.12982	75.4
352.13257	8.9
355.08069	0.7
355.45911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86711	0.5
57.03443	2.3
59.01382	12.1
67.01899	0.7
68.99831	0.9
69.03454	0.7
69.32779	4.8
71.01389	12.4
72.99315	4.9
73.02946	1.2
75.00878	13.9
79.58237	0.5
83.01369	0.8
85.02960	15.7
87.00886	7.1
89.02450	3.3
90.83846	0.5
93.03438	0.8
95.01394	4.1
99.00889	7.7
101.06091	100.0
102.06411	2.4
103.00366	1.7
111.00935	0.5
113.02460	18.9
114.02805	0.8
115.00366	1.9
117.01979	2.4
129.01987	1.4
133.02963	2.8
141.02994	0.6
157.01492	1.4
173.04526	0.7
175.02487	3.0
177.02023	0.6
191.05667	1.0
198.20558	0.5
205.07132	0.7
231.05177	2.2
249.06169	15.3
259.89224	0.6
267.07175	1.2
291.10983	1.1
333.11957	2.4
351.12979	56.0
352.13345	5.8
355.02762	0.6
369.99969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66969	1.2
52.74733	1.0
56.18384	1.0
59.01387	6.2
66.52505	1.1
69.68377	4.8
69.68784	2.0
71.01387	10.2
74.96206	5.6
89.94925	1.9
93.03482	1.9
96.96027	13.5
98.20625	2.0
103.36578	1.1
121.02886	1.1
127.07674	1.9
128.97278	4.3
133.02989	4.1
137.02417	2.4
173.04550	2.3
177.01991	1.3
177.09230	3.6
186.95648	2.2
190.09984	1.2
192.11574	8.2
192.95859	2.7
205.12402	3.4
207.14003	1.1
218.09521	2.4
220.12888	1.2
220.14699	54.3
221.15469	100.0
222.15842	5.7
231.17653	1.4
235.13454	1.7
236.10556	82.0
237.10927	6.1
271.22760	1.8
275.16595	4.8
278.10602	6.0
279.11310	2.5
293.17609	18.0
294.05676	1.3
294.17993	2.5
333.12399	7.1
333.20963	1.2
351.13538	57.9
351.18341	7.0
351.22128	2.2
352.13757	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	351.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22439	0.5
59.01381	1.1
60.97499	0.4
69.44020	2.2
69.44445	1.5
71.80075	0.4
87.00885	0.7
95.05015	0.5
96.96008	0.7
105.03515	0.6
107.05056	1.0
121.02966	0.5
123.04539	0.8
130.06657	0.8
130.08743	1.1
131.03789	0.7
132.04517	0.5
133.02979	4.0
134.03755	17.6
135.04544	29.6
136.04018	0.6
136.04930	1.3
137.02467	1.2
144.04579	2.8
147.03348	1.1
147.04518	9.4
148.05318	100.0
149.06113	14.4
150.03252	0.9
150.06480	0.6
151.04037	0.5
157.05341	12.8
158.06125	5.4
160.01677	3.2
160.03986	0.6
161.02446	6.7
161.04451	0.6
162.03217	0.8
162.05612	1.3
172.06465	2.4
173.04562	1.2
174.07977	3.1
175.02663	0.7
175.04016	6.3
175.08769	13.0
176.03537	1.6
176.09181	0.8
177.01941	0.7
177.04285	1.2
178.05119	15.0
179.05457	0.7
189.06712	1.2
189.10381	2.0
190.05113	32.2
191.05544	2.1
192.06744	1.0
201.06689	8.7
202.07117	0.6
204.55756	0.5
258.70490	0.4
278.08194	1.5
292.09872	1.0
332.34781	0.6
336.11179	13.3
337.11612	1.4
351.13516	86.1
352.13837	12.6
352.17737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.6
60.63986	1.6
69.83969	5.0
69.84381	2.0
71.01377	1.6
74.99104	25.7
85.02948	1.8
87.00890	9.8
87.02748	1.9
93.03478	4.7
96.96047	1.7
98.19925	2.5
102.21735	1.2
105.03472	2.8
120.02489	1.3
123.04514	1.7
133.02974	13.2
135.04558	3.6
136.99147	24.5
150.03247	1.5
155.10754	1.6
160.01595	1.3
169.69138	1.2
171.10216	1.7
173.04567	9.9
175.03979	2.5
177.01935	4.3
181.12355	8.6
191.05644	3.8
193.12379	12.9
211.11476	2.4
211.13419	41.0
212.13820	2.3
215.11102	16.7
216.11537	1.6
227.11122	18.3
229.14452	9.8
230.14935	1.8
245.12192	67.5
246.12526	3.6
263.13229	43.0
264.13589	2.4
269.52158	1.4
351.14850	100.0
352.15164	9.6
356.12613	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	351.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33732	1.5
57.03430	2.4
59.01387	100.0
59.32138	1.4
61.18515	1.4
63.96247	3.4
69.77834	9.9
71.01389	6.6
72.99306	4.6
73.98342	2.3
74.99107	57.1
85.02957	4.3
87.00882	6.4
88.60110	1.5
89.02464	1.8
93.03469	8.5
93.66409	1.9
96.96030	5.2
101.06104	3.5
105.03465	4.7
111.04484	2.0
117.97342	1.7
120.99627	1.5
123.04546	2.1
133.02988	30.9
133.03929	1.0
134.03729	2.7
135.04549	6.9
135.98370	3.2
136.99170	55.4
150.03246	3.3
160.01686	2.0
161.02487	2.1
165.25871	1.6
173.04582	23.6
175.04024	4.5
177.01952	9.2
184.21426	1.6
191.05652	11.8
193.05034	2.1
201.13220	2.0
203.11159	15.3
215.05588	1.7
215.11084	3.6
223.04460	1.8
229.03680	1.6
240.04160	2.4
245.12062	2.3
263.13257	7.0
308.09555	1.9
351.07440	2.1
351.14957	35.4
352.14987	4.1
352.22476	5.1
364.83853	1.7
367.10074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1709
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01388	9.5
59.98137	0.8
61.31240	0.9
69.23454	4.1
69.23881	3.5
71.01368	1.1
74.96198	1.4
83.23682	0.8
96.96026	4.4
104.01878	0.8
121.10255	8.6
125.51482	0.7
133.02985	3.0
137.86684	0.7
171.10289	18.9
172.10623	1.5
173.04619	1.2
177.01941	1.0
185.11859	0.9
229.04807	1.3
231.21135	1.1
275.20169	21.4
276.20587	2.2
293.21234	15.4
294.21658	1.8
351.17105	100.0
352.17438	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	351.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.2
69.35350	11.2
81.17945	1.2
83.05038	1.4
95.05026	8.4
96.96025	8.3
105.74711	1.4
121.10249	3.7
123.49367	1.3
133.02931	6.3
155.21458	1.4
171.10297	4.1
173.04683	2.7
191.05620	1.5
192.95871	2.3
195.13924	6.7
223.13412	3.3
239.03134	1.8
246.12308	1.9
261.18628	2.6
275.20151	8.6
278.11359	10.1
293.21255	42.6
293.24457	2.9
294.21777	3.7
314.07855	5.4
315.07526	1.5
315.25412	2.3
333.20743	2.8
351.17142	100.0
351.21829	7.1
352.17615	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	352.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.7
67.01890	2.0
69.03473	0.9
69.21207	3.3
69.21634	3.1
71.01390	9.4
71.47975	0.7
72.00950	0.8
72.36960	0.6
72.99298	2.5
73.02952	16.2
73.38637	0.6
83.01390	3.7
83.05036	1.0
85.02964	19.4
87.00896	5.2
89.02467	1.6
92.05088	1.3
93.03477	7.9
98.20663	1.6
99.00864	0.8
101.02448	7.4
109.03004	0.9
110.28355	0.8
111.00893	35.2
111.04523	2.7
113.02459	2.7
116.05099	1.1
117.01934	2.7
118.02982	1.7
119.03538	1.0
120.04532	2.0
127.04005	3.1
129.01921	4.2
131.03642	1.9
132.04555	5.3
132.70255	0.6
133.02989	2.4
134.03748	1.3
135.04535	14.9
143.03490	0.7
144.04564	5.0
146.02499	16.6
146.06117	0.7
147.03287	22.7
148.04019	4.1
150.05582	0.9
154.99879	5.8
155.03487	1.2
158.06137	1.4
160.04053	23.3
161.02512	3.3
161.04445	2.5
172.04054	5.6
173.00938	14.2
173.04544	13.7
174.05582	2.9
176.03938	1.0
177.02065	0.7
179.02199	2.0
179.03513	8.0
185.04863	1.2
186.05629	3.3
191.02016	19.5
191.05621	100.0
192.06055	1.1
202.05147	4.1
214.05122	5.6
241.05157	1.1
243.06046	0.6
292.08246	1.1
295.06268	1.3
310.09323	2.0
339.05124	3.7
340.05307	0.9
352.10364	20.5
353.08347	3.3
368.37662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01778	0.7
59.01384	3.0
69.84636	3.6
78.95897	1.1
79.95740	9.1
85.02966	0.9
93.03512	1.7
95.95247	6.5
96.96024	100.0
98.20569	1.3
111.00900	0.7
121.03004	0.8
122.26704	0.7
133.02982	1.0
135.04550	4.5
152.00275	3.8
152.91772	1.0
169.35883	0.7
173.04559	2.7
175.00394	1.1
179.03522	2.0
185.15475	1.0
191.05617	9.3
194.92891	0.9
202.99847	1.1
237.24847	0.9
243.31561	0.8
276.70978	0.8
308.18961	3.8
352.21674	97.2
353.22128	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	353.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.1
67.01904	4.7
69.03504	1.5
70.49499	1.5
71.01400	1.9
72.99321	3.6
73.02969	2.8
83.01389	2.3
85.02969	19.5
93.03473	16.4
98.47285	1.2
101.02473	2.2
101.33229	1.1
111.00895	100.0
111.04532	3.3
112.01269	2.7
118.63465	1.1
127.04057	1.4
129.01932	5.9
134.03755	1.8
135.03500	2.5
135.04539	49.1
136.04903	2.8
137.02475	3.9
154.99881	14.7
155.03539	4.8
155.58089	1.2
156.00284	1.5
161.02399	1.5
173.00940	33.0
173.04559	73.6
174.01239	1.3
174.04893	3.1
177.60120	1.3
179.03517	55.8
180.03857	2.2
191.02020	24.7
191.05626	44.3
192.05952	2.3
353.08820	10.7
354.09039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53872	0.5
57.03442	1.0
59.01376	3.4
67.01894	2.9
69.69561	0.5
71.01384	1.5
72.99339	4.4
73.02950	4.5
74.03301	0.6
83.01405	1.6
84.07439	0.6
85.02966	24.0
86.03290	0.8
87.00890	2.0
93.03478	7.8
99.00876	1.3
101.02473	1.5
109.02959	0.8
111.00896	60.8
111.04557	2.0
112.01219	2.0
117.01955	4.0
127.03999	2.2
129.01968	6.3
133.02968	1.0
134.03760	1.5
135.04543	15.5
136.04893	1.1
137.02431	1.4
140.34314	0.7
146.02505	1.3
147.03082	1.9
148.03598	0.9
154.99881	8.8
160.04018	0.7
161.02470	3.8
161.04413	1.2
171.03049	0.7
172.99442	1.3
173.00934	23.1
173.04559	15.9
174.01277	1.0
174.04872	0.9
179.03516	12.1
180.03947	1.1
191.02016	32.5
191.05632	100.0
192.02257	1.3
192.05949	4.7
208.62878	0.7
243.06668	0.8
284.02902	0.7
292.86432	0.6
353.08987	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
67.01909	0.9
67.36285	0.3
69.88892	2.0
71.01378	0.6
72.80495	0.4
80.47308	0.4
82.24400	0.4
85.02954	6.6
87.00889	1.4
93.03474	5.4
98.36736	0.4
109.02956	1.0
111.00910	0.5
111.04514	2.0
127.04033	1.2
131.89432	0.4
133.02986	0.5
135.04544	9.1
136.04857	0.6
137.02435	1.2
155.03529	0.8
161.02426	1.9
171.02997	0.5
173.04558	19.6
174.04907	1.1
179.03519	12.8
180.03891	0.9
191.05627	100.0
192.05966	5.1
312.81836	0.5
331.28091	0.4
353.08804	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11677	0.6
59.01374	1.6
59.86525	0.7
62.95213	0.7
64.30985	0.7
67.01908	3.9
69.03442	1.2
70.30413	0.7
71.01388	2.2
71.05365	1.4
71.05710	0.7
83.05019	0.8
85.02961	6.4
85.66008	0.7
87.00904	1.4
93.03471	19.7
94.03813	1.3
99.04546	0.7
109.02935	0.9
111.00860	1.8
111.04539	4.4
127.04036	1.3
133.02998	1.3
134.03752	3.7
135.04543	52.1
136.04858	1.6
137.02466	3.4
155.03510	6.6
161.02472	2.9
173.04565	100.0
174.04901	4.0
179.03517	69.7
180.03825	1.8
187.96432	0.9
191.05624	40.3
192.05858	1.1
291.06238	0.8
353.08795	15.1
354.09198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.01383	1.1
67.01908	0.6
69.66653	3.1
69.67060	0.9
71.01397	1.0
72.99271	0.6
76.87892	0.5
85.02953	6.6
87.00887	1.3
92.81951	0.5
93.03458	5.7
94.53715	0.5
98.19894	0.9
99.04503	0.6
102.13409	0.5
109.02970	0.9
111.00892	5.0
111.04547	2.3
127.04010	1.4
133.02989	1.2
134.03746	1.8
135.04544	28.1
136.04884	1.2
137.02470	1.0
154.99815	0.9
155.03502	1.4
161.02440	3.3
167.54791	0.6
168.22525	0.6
173.00964	1.3
173.04558	23.3
173.06065	1.1
174.04907	0.9
179.03519	35.0
180.03883	1.2
181.10281	0.5
191.05632	100.0
192.06056	3.4
270.31113	0.5
353.08884	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	353.0881
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.13206	0.2
53.06771	0.2
57.03469	0.3
58.91817	0.3
59.01386	0.9
59.72651	0.3
60.26118	0.2
61.28502	0.2
69.38149	1.9
69.38555	0.3
71.01387	0.8
81.03490	0.4
85.02961	9.3
87.00878	1.7
93.03468	2.7
98.19911	0.4
99.04545	0.5
109.02964	0.7
111.04523	1.1
112.52770	0.2
113.02410	0.3
118.24586	0.2
124.18298	0.2
127.04020	2.0
133.02968	0.7
135.04535	1.1
139.15144	0.2
161.02475	2.4
171.02951	0.6
173.04533	1.4
179.03494	1.0
191.05627	100.0
192.05972	4.0
195.45895	0.3
242.20775	0.2
349.45853	0.3
353.08871	1.4
366.24054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.03456	1.2
59.01388	4.2
65.44449	0.5
67.01900	5.6
69.03461	1.4
71.01393	4.2
71.32991	0.8
81.03471	1.5
83.01393	0.7
83.05051	1.5
85.02957	11.9
87.00875	2.0
93.03465	29.9
94.03801	1.0
99.04550	0.6
107.05026	1.5
109.02955	2.2
111.00912	1.9
111.04524	6.7
113.02470	0.8
127.04026	3.0
127.08150	0.5
133.02968	2.2
134.03743	4.9
135.04541	82.0
136.04855	3.4
137.02463	6.4
149.48766	0.6
155.03505	5.2
161.02467	5.1
162.05568	0.7
164.31950	0.5
171.02963	0.6
173.04572	100.0
174.04918	5.3
179.03522	73.5
180.03874	4.6
190.05176	0.7
191.05635	73.7
192.05975	3.4
229.90074	0.6
258.05261	0.9
309.07446	0.7
310.69110	0.5
353.08878	11.1
353.15942	0.8
354.08899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.187
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
53.89958	1.5
54.14811	1.5
59.01385	6.0
59.91304	1.7
68.12247	1.5
71.56038	2.4
75.77285	1.5
79.04734	2.0
79.95734	1.5
85.02952	2.1
93.03457	2.8
96.96050	1.7
105.30368	1.7
109.02947	1.7
118.50254	1.6
119.01407	1.6
121.02972	2.7
129.34625	1.6
135.04565	8.9
147.00911	2.2
151.24124	1.7
152.91789	2.0
169.51550	1.7
173.04588	7.2
175.00331	2.7
179.03525	8.9
191.05644	20.4
193.01469	2.1
195.13892	12.3
196.14183	1.6
202.99940	2.1
277.21741	9.2
295.22818	48.6
296.23050	4.8
317.20963	3.0
353.09518	3.2
353.18640	100.0
353.26883	18.6
354.18933	14.8
354.27286	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	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
70.02948	1.3
79.95750	0.9
83.29271	0.4
94.86755	0.3
96.96036	4.1
135.04517	0.4
163.11305	94.4
164.11635	6.3
177.09227	72.6
178.09569	5.0
190.75034	0.4
191.05666	0.7
194.06021	0.3
212.21506	0.3
222.09010	0.8
291.26538	0.3
295.26849	0.3
353.21231	100.0
354.21573	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	353.3064
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
57.03444	0.8
68.12003	0.5
69.83720	2.7
69.95822	0.6
71.02354	0.5
78.94020	0.5
96.96001	2.9
98.20586	0.7
122.78631	0.6
135.04555	0.8
164.88902	0.6
179.03474	0.6
183.90167	0.6
191.05493	2.5
202.99799	1.1
293.28745	0.8
309.31525	1.1
353.20361	2.6
353.30627	100.0
354.30942	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	355.0826
Annotation	(R)-Sulindac
Peak:m/z	Relative Intensity
59.01385	3.2
60.77380	1.3
61.67171	1.4
61.98843	3.2
66.64918	1.2
71.01376	1.8
85.02957	4.8
85.12396	1.5
98.20709	1.9
119.05052	18.7
121.02970	92.0
122.03324	3.0
136.07680	3.0
162.05705	2.0
163.04048	10.8
181.06635	3.2
189.05597	1.7
189.52351	1.3
209.03032	1.6
221.69678	1.6
225.05620	1.7
311.09286	100.0
312.09714	10.9
355.08276	48.7
355.12512	2.2
355.21085	3.7
355.24960	3.1
356.08670	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	355.1038
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03473	1.3
58.00633	0.7
59.01388	10.2
69.53885	2.7
69.54302	0.9
71.01395	6.1
73.02964	1.0
78.61178	0.5
82.14314	0.5
82.62375	0.4
83.01404	0.8
85.02957	7.2
85.03379	0.6
87.00896	1.1
89.02453	3.3
95.01424	0.6
101.02473	2.1
101.06184	0.6
102.02773	0.5
102.18475	0.5
105.21146	0.5
109.03004	0.8
109.49217	0.5
113.02480	2.4
119.03545	1.1
119.05042	0.5
129.01947	0.5
132.02187	15.9
134.03763	9.3
135.04468	1.7
147.04504	0.8
149.06110	1.9
151.04060	2.2
160.01675	63.2
161.02002	4.1
163.04005	0.9
173.04582	1.2
175.04012	100.0
176.04379	6.7
178.02719	1.1
179.03531	1.2
181.03993	0.8
191.01938	1.3
191.03789	3.3
191.05597	4.2
191.07195	3.0
192.05899	2.2
193.04932	16.6
194.05328	1.4
202.02631	0.9
206.05844	2.9
206.55579	0.5
207.06624	0.6
209.02963	2.7
217.05087	5.6
221.08192	3.4
235.06068	3.4
239.58113	0.5
265.07092	1.5
295.05365	0.5
295.08118	2.4
355.10385	5.8
355.14099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.29684	0.6
57.03442	1.8
59.01385	10.1
69.59553	3.7
71.01394	6.8
72.99310	0.7
73.02946	1.2
85.02958	11.8
86.03300	0.8
87.00881	1.0
89.02475	3.3
93.03439	0.6
95.01363	0.6
98.20711	1.2
101.02459	2.0
105.54018	0.6
108.02222	0.6
110.76768	0.6
112.23553	0.6
113.02454	2.9
119.03511	1.4
123.66970	0.6
132.02180	15.2
133.02539	0.6
134.03751	9.8
135.04552	0.9
147.03085	0.7
147.04518	0.9
149.06094	2.4
151.04002	3.1
151.05885	0.6
160.01675	65.9
161.02003	3.1
163.04004	0.9
173.04614	0.8
174.70952	0.6
175.04018	100.0
176.04399	7.8
178.02686	0.9
191.02005	1.8
191.03545	1.9
191.05614	2.3
191.07233	2.4
192.05962	0.7
193.05005	17.2
194.05460	0.8
202.02664	0.9
206.05873	1.5
209.03036	3.9
217.05070	5.8
221.08125	1.7
235.06128	3.7
265.07224	1.1
295.08258	1.9
309.07938	0.7
328.99780	0.6
345.57877	0.6
355.10342	5.4
355.14130	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	355.1551
Annotation	Juglanin A
Peak:m/z	Relative Intensity
54.82394	1.3
59.01371	2.0
61.98822	2.0
85.02955	6.6
91.83872	1.4
94.93759	1.3
114.10490	1.4
121.02917	2.2
132.02208	1.5
139.18390	1.4
148.05290	3.0
149.02454	9.3
149.06030	2.4
151.04082	1.4
160.01645	2.4
161.02466	40.2
162.02950	3.8
163.07584	2.5
164.04819	9.9
165.05365	1.7
179.07176	11.1
191.01933	2.1
220.08795	1.3
226.09962	2.6
236.08414	2.3
248.08492	2.8
253.08688	2.8
263.10776	2.8
264.08023	10.0
265.08682	4.3
266.09448	2.4
281.08359	1.6
291.06641	1.6
292.07367	8.9
293.08145	13.1
293.21069	1.7
294.08957	3.1
295.06201	2.2
295.09531	1.5
307.09647	10.8
308.10352	2.9
309.07602	5.3
309.11249	2.3
310.08469	39.8
311.08838	5.8
323.12836	2.5
324.10034	5.5
325.10815	41.4
326.11108	6.9
332.49292	1.4
339.12579	9.1
340.13162	70.1
341.13513	9.6
347.31497	1.3
347.70798	1.4
355.15521	100.0
355.25049	4.5
356.15811	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	355.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.7
71.46732	1.5
78.11069	0.7
80.26727	0.6
87.84115	0.6
99.92594	56.4
100.92601	2.9
100.93359	1.8
115.92094	29.1
116.92872	100.0
117.92879	6.0
117.93622	1.2
126.27441	0.6
135.64058	0.6
191.86653	0.7
199.00755	3.8
225.22227	1.7
248.25266	0.6
311.16806	1.7
325.14642	1.3
343.15872	1.5
344.16000	0.9
355.15817	70.3
355.19617	6.7
355.32153	3.7
356.15970	11.2
356.19879	0.9
374.40591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01371	1.8
65.38447	1.2
70.56519	1.4
70.56817	1.8
77.83318	1.2
85.02966	4.2
98.95631	1.4
107.05055	1.9
109.02950	2.2
122.03749	10.5
127.07629	2.3
135.04535	29.1
136.01619	1.4
136.04881	1.3
143.74820	1.2
147.08160	3.3
149.06030	1.5
149.09723	9.2
151.07623	3.7
153.08031	1.3
154.02730	1.7
161.09732	9.0
163.07603	4.3
163.11296	55.4
164.08447	17.3
164.11641	3.6
165.09235	11.1
177.09222	73.6
178.09970	22.9
179.10783	90.5
180.11086	5.1
183.10208	2.4
187.11296	1.6
191.10794	16.7
193.08693	9.9
220.54012	1.4
263.75076	1.2
265.12317	1.4
268.67163	1.2
278.33737	1.1
280.14624	3.4
298.15744	57.4
299.16040	7.0
309.22351	1.5
311.26035	2.4
322.19263	2.4
337.21738	51.0
338.21957	6.5
340.20444	90.0
341.20837	11.1
355.22797	100.0
356.23123	18.7
378.23450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
59.01371	2.1
65.53062	1.1
85.02959	2.3
98.20602	2.5
99.00895	2.6
110.03779	1.4
136.44724	1.1
164.26341	1.2
176.71967	1.2
222.04556	1.2
237.22249	5.5
237.88353	1.2
265.00119	1.3
275.23849	2.9
293.24899	10.6
294.25293	1.3
297.15250	1.7
309.24377	1.3
311.26007	14.0
312.26425	1.8
319.22812	28.5
320.23187	3.9
337.23843	27.9
337.27875	1.4
338.24158	2.8
355.24890	100.0
355.28552	6.8
356.25180	12.5
356.29037	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	355.2857
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
57.03439	0.4
69.38132	0.9
69.38556	2.0
75.01875	0.3
98.20688	0.6
164.71031	0.4
167.91302	0.3
188.29564	0.4
212.05733	0.4
220.13843	0.4
265.25262	0.4
269.37079	0.3
291.26862	0.8
293.28522	63.0
294.28870	8.4
311.26413	0.4
311.29453	1.7
337.27518	18.0
338.27930	2.6
355.28549	100.0
356.28906	14.2
378.50723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3222
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
52.42760	0.5
59.01384	0.6
64.36953	0.5
70.87474	0.9
70.87792	0.7
73.91853	0.6
75.73055	0.6
128.39207	0.6
146.27765	0.5
152.34163	0.6
199.00740	0.8
222.29987	0.6
295.30002	0.8
299.91022	0.6
309.31696	0.8
337.31155	1.5
342.45389	0.5
353.30484	1.0
355.19751	1.7
355.32196	100.0
356.19727	0.6
356.32538	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	355.3221
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.09460	0.7
58.73050	0.7
70.66401	0.7
80.43962	0.7
80.87376	0.6
98.19902	2.3
104.02854	0.9
105.31860	0.7
123.26017	0.7
134.41791	0.7
161.55887	0.7
175.87767	0.7
195.93765	0.9
238.56721	0.8
309.31619	4.0
355.19852	1.6
355.32190	100.0
356.32510	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.0
61.98841	100.0
70.46370	18.8
70.46741	18.3
74.36021	7.6
78.95869	7.0
80.32459	7.4
81.46950	7.8
81.66513	8.1
83.01407	7.7
83.09364	7.6
94.50542	8.6
96.96066	7.8
97.35953	7.6
121.02962	24.1
125.09726	14.4
129.42191	7.8
134.21059	8.9
158.04945	7.9
169.56964	9.3
173.40361	9.2
192.95842	12.8
269.86243	10.2
356.15918	10.3
357.06110	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	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03455	1.9
59.01390	8.3
61.79402	0.5
68.55269	0.6
68.99826	1.0
71.01397	12.5
71.01758	1.2
72.99322	1.8
75.00883	30.1
83.01410	0.7
85.02960	5.9
86.03262	0.5
87.00881	4.9
87.03397	0.6
89.02448	2.2
93.03452	0.7
99.00886	9.2
101.02438	1.9
107.05073	1.0
108.02214	1.3
109.02974	4.5
111.00919	2.4
129.01961	16.1
133.02963	1.7
134.03767	2.3
135.04538	19.7
136.04875	0.9
137.02458	1.4
141.02042	0.9
149.06097	0.7
152.01170	0.9
153.01958	4.9
153.05597	1.0
159.03015	8.8
161.02460	6.8
162.03076	0.7
163.04018	0.8
163.74178	0.6
177.04108	6.7
177.05573	1.1
179.03526	8.2
180.04066	1.8
186.00958	0.6
191.05672	1.1
193.06157	0.9
195.05118	100.0
196.05440	4.1
205.05145	0.6
211.03563	0.6
220.07478	0.7
221.04607	1.6
235.09846	1.3
274.85220	0.5
281.06680	0.7
313.45224	0.6
339.07233	2.4
357.08237	17.1
357.11823	1.3
358.08698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77110	0.3
55.57878	0.3
59.01388	3.9
69.03443	0.5
71.01382	2.4
71.31289	0.5
71.31638	0.7
73.02941	0.5
74.17998	0.4
75.00883	0.5
81.03462	1.0
83.01418	0.5
85.02961	4.9
86.03283	0.6
87.00888	0.5
87.03404	0.6
87.11027	0.4
89.02442	0.6
91.26388	0.4
93.03466	1.1
95.01398	1.6
99.00890	0.4
101.02448	1.3
105.01956	1.0
108.02185	100.0
109.02986	32.4
110.03303	1.4
111.00890	0.4
113.02471	0.8
121.02973	1.0
123.00928	1.8
123.04641	0.6
129.01979	0.5
133.02972	1.0
134.03770	0.6
135.00867	0.8
135.04550	4.3
137.02518	0.4
150.06883	1.2
151.04024	1.9
152.01164	64.6
153.01961	23.0
154.02332	1.0
161.04625	0.7
163.03960	1.8
165.01924	1.6
177.01891	0.5
177.04025	0.5
177.05537	0.5
179.03609	0.7
191.05565	0.4
191.91617	0.4
195.03265	0.6
195.05101	4.5
195.06656	0.6
200.25623	0.4
206.96744	0.4
209.03111	0.5
210.03313	0.4
211.03474	1.3
225.04016	0.4
287.65948	0.4
315.07294	1.0
357.08276	74.7
358.08649	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	357.0983
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
54.74329	0.5
59.01390	1.8
62.61429	0.5
65.00308	0.6
71.01386	0.6
91.01900	5.2
93.03461	7.1
96.99323	6.0
98.19863	1.3
108.02166	2.1
109.02936	1.7
110.70720	0.5
117.03469	1.6
119.05035	11.5
120.05428	0.7
121.02953	0.8
121.13774	0.5
123.04536	9.1
124.01664	1.3
124.04864	0.7
130.04256	1.3
131.05042	3.0
132.02197	0.6
133.02945	3.9
134.03746	13.2
135.04228	0.8
137.02460	2.8
143.05035	11.4
145.03001	3.7
146.03754	6.2
147.04507	2.4
148.01653	0.7
148.05273	1.3
148.81296	0.5
149.06068	0.7
151.04057	0.5
153.05539	0.6
158.03760	4.0
159.04538	7.9
160.01688	0.9
161.02422	0.6
161.06049	3.6
163.04033	8.2
163.17519	0.6
170.33411	0.6
173.06100	2.1
174.03229	0.8
175.03996	1.1
178.02774	1.1
187.03986	0.9
193.05083	3.7
210.04782	0.5
223.68900	0.5
226.06342	3.0
230.80045	0.6
233.01352	0.6
235.07687	1.1
235.73581	0.6
236.08128	0.8
239.07205	0.5
240.07663	0.6
241.08691	2.5
250.06337	2.2
251.07147	18.5
252.07869	7.7
253.08618	5.8
254.09457	3.7
263.07129	1.3
265.08612	1.4
267.10318	1.6
279.06647	5.3
280.07401	15.7
281.07831	2.1
295.09766	11.8
295.12949	1.1
296.10178	1.6
297.04031	1.0
313.10812	1.1
323.16144	1.2
324.06424	2.3
339.08762	6.0
347.76474	0.7
357.09811	100.0
358.10162	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01873	4.2
57.03437	5.8
58.00594	8.0
58.03786	1.7
59.01387	67.1
59.01687	3.3
61.98827	2.0
69.96180	6.6
71.01391	61.7
72.99306	5.2
73.02971	10.0
75.00887	8.3
81.03455	1.6
83.01392	8.4
85.02963	40.4
86.03296	5.1
87.00886	35.7
87.03351	3.1
88.01171	1.7
88.04066	1.7
89.01931	2.7
89.02454	42.4
93.03479	1.9
95.01369	5.0
99.00859	4.8
101.02463	33.2
108.02187	16.2
109.02972	16.9
111.00866	2.7
112.04025	1.7
113.02456	22.1
117.03461	5.0
119.03510	22.4
119.05045	4.1
121.02976	10.6
122.03770	7.9
123.04540	5.8
125.02425	1.7
129.01935	4.3
131.03474	2.8
133.02963	4.0
135.04510	4.6
135.67995	1.5
137.02525	2.6
137.06044	2.0
143.03508	4.4
145.02980	34.0
146.03752	7.7
147.04543	6.3
149.02449	1.9
149.04558	2.4
149.06104	1.5
150.03215	6.8
151.04066	2.2
152.01123	6.9
153.01923	9.8
159.02982	2.9
161.02452	27.1
161.04564	4.6
162.03247	43.6
163.03976	6.8
164.05786	3.2
165.01973	3.4
165.05605	9.8
171.36839	1.6
177.05574	33.5
178.05983	2.5
179.03513	8.7
179.05603	6.2
180.04300	49.1
181.04517	1.8
189.01851	2.2
192.02362	1.9
194.05702	1.6
195.05095	10.3
195.06651	100.0
196.06973	7.0
209.03015	2.7
210.03256	2.1
211.03510	5.9
267.08694	2.7
339.07169	1.6
344.90106	1.7
357.08405	6.5
357.12170	33.7
358.12314	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	357.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93038	0.5
55.01883	1.0
57.03442	0.8
58.00584	1.4
59.01387	36.6
63.22284	0.6
71.01393	21.6
71.32798	1.0
72.99299	1.9
83.01399	1.4
83.30818	0.5
85.02956	3.7
85.92213	0.6
86.61176	0.7
87.00880	0.9
89.02457	19.5
95.01398	1.6
101.02465	12.3
108.02188	1.3
109.02965	3.7
113.02467	6.6
119.03524	8.1
121.71562	0.6
123.00931	1.1
133.03003	0.9
134.03755	1.8
135.04565	6.0
137.02461	0.6
138.03198	1.2
143.03473	1.2
146.33742	0.6
146.81514	0.7
151.03987	1.1
152.07268	0.9
153.01964	2.7
153.05563	4.7
154.91130	0.7
161.02449	2.9
162.03244	70.3
163.03642	5.1
177.05586	100.0
178.05946	6.7
179.05666	1.3
180.03969	0.8
195.05028	1.0
195.06644	1.3
223.06252	0.7
268.78943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50577	1.1
54.74390	1.1
55.26456	1.2
57.03441	2.6
58.00584	2.6
59.01385	7.7
61.73442	1.1
69.03455	2.2
70.29179	2.6
70.29550	1.8
71.01398	6.7
71.05017	2.0
73.02965	1.7
80.02676	2.7
81.03461	3.2
83.01390	8.8
83.05028	1.7
85.02953	3.6
85.06578	2.0
87.00841	1.2
87.04498	2.4
93.03480	5.7
96.96056	1.2
97.02946	3.0
97.06582	5.1
99.04523	2.8
101.02458	1.4
107.05037	1.2
108.02184	7.5
109.02980	1.3
109.05904	2.0
109.06602	28.5
111.04526	2.6
113.02503	1.5
113.06082	3.2
121.02969	2.5
121.06604	10.8
122.03736	1.9
123.04525	3.6
123.08174	28.5
125.06060	2.5
125.09739	19.7
127.11317	6.4
133.06624	2.0
134.03735	1.7
135.04597	1.9
137.02521	1.5
137.06096	24.0
137.09677	1.9
138.03203	4.2
139.07664	7.8
139.11304	2.4
141.05618	7.8
149.06114	2.3
151.07689	5.5
155.07135	3.8
155.10788	3.7
159.04440	1.5
161.02461	2.7
161.96094	1.1
162.02623	1.3
165.09218	2.7
167.07158	88.1
168.07491	3.4
171.08812	2.0
171.10295	41.2
172.10606	3.8
177.05540	3.2
179.07091	1.1
183.10292	2.6
185.08147	7.1
185.11786	1.3
187.09749	2.9
195.13991	1.6
199.09738	2.6
201.11342	100.0
202.11626	7.1
203.07132	1.9
211.09900	2.3
213.11302	6.1
217.10727	2.8
221.08115	2.4
229.09099	1.1
229.10851	13.8
233.11888	1.4
251.12907	3.2
251.16533	2.1
259.17050	1.2
277.18173	2.2
285.04108	1.2
285.14844	4.0
293.17572	1.8
297.03937	1.5
303.16016	12.4
304.16370	1.4
321.17075	65.9
322.17450	7.8
339.18100	7.4
342.11127	2.8
357.06253	3.8
357.13431	12.3
357.19107	8.9
358.06128	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	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.2
59.01386	100.0
71.01382	6.7
71.88097	0.9
73.02946	1.9
74.65866	1.1
81.03451	1.2
83.01369	1.3
85.02952	3.8
98.20647	2.7
101.02443	3.6
113.02458	1.4
135.85971	1.0
143.72289	1.1
161.04591	2.7
168.96178	1.0
171.10236	1.4
278.88870	1.0
324.66382	1.0
357.13718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67400	2.1
59.01385	100.0
61.98837	4.9
71.01377	3.2
79.34318	2.4
83.01438	2.7
83.05050	2.5
94.98596	2.7
96.96040	3.0
121.02963	20.1
133.02936	3.0
146.05614	2.1
152.91754	2.5
186.54034	2.0
193.48982	2.5
223.13458	3.9
275.14288	2.3
357.06073	11.9
357.18964	3.4
357.26581	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	357.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.20326	2.8
61.98819	8.0
71.55759	3.2
83.05019	3.3
94.98267	3.0
96.95999	3.1
99.04527	3.0
109.02960	9.1
114.06794	2.7
121.02965	37.0
125.09676	3.3
125.21156	3.0
127.75388	2.9
134.03717	3.8
135.26102	3.0
168.53419	3.4
223.13580	3.3
247.78287	3.6
251.87924	3.0
293.90250	3.8
297.03998	3.9
357.06259	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	358.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22691	0.2
59.01384	1.8
65.99856	0.4
71.01396	0.5
71.58260	0.3
81.02226	0.2
83.05004	0.2
85.02974	0.6
93.03453	0.4
95.01406	0.3
96.00938	0.2
98.02512	0.4
98.48782	0.2
101.13977	0.2
105.52150	0.2
109.02995	0.2
110.96182	0.3
111.00903	0.4
119.05120	0.2
123.00911	2.5
124.01675	6.8
130.08745	1.3
133.02977	0.4
134.03761	0.2
135.04514	0.6
138.09261	0.5
140.07162	0.2
149.06081	0.5
153.00699	1.6
154.01476	100.0
155.01828	3.6
157.61676	0.2
166.08743	0.8
173.04584	0.5
177.01933	0.5
178.02368	0.2
179.03508	0.5
191.05589	1.0
193.05156	0.2
197.91463	0.2
235.18076	0.3
242.05743	0.2
250.06813	0.3
261.15988	0.3
271.09631	0.3
279.95609	0.2
291.33591	0.2
298.04462	0.6
299.05344	0.2
314.11093	0.2
323.16110	1.6
340.18781	0.9
353.06613	0.3
358.07642	7.4
358.19736	0.6
359.07965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85695	62.9
63.87277	60.1
71.56220	100.0
110.10216	63.3
117.95345	68.4
121.03177	78.2
123.00838	69.2
156.23347	61.2
275.51950	70.9
289.14615	73.1
359.40460	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11245	0.5
59.01384	85.6
60.01724	0.8
61.98838	1.2
69.34048	4.2
70.62347	0.5
72.99323	2.2
73.02945	0.6
78.67420	0.6
79.21138	0.5
79.45754	0.6
87.49216	0.5
90.97153	0.8
98.20723	0.7
132.98219	1.6
156.99968	0.9
157.03535	3.0
159.01541	2.0
174.97734	1.1
174.99275	21.5
175.99580	0.6
189.83784	0.6
201.02577	27.4
202.02797	1.6
212.44431	0.5
215.00281	0.6
215.04089	0.8
217.00322	100.0
218.00700	3.0
274.97034	0.5
274.99542	3.4
275.99808	0.7
276.98297	0.6
296.44278	0.6
317.00732	5.6
318.00851	1.0
320.23914	0.6
325.17307	0.7
336.33008	0.6
347.91785	0.5
359.01703	11.4
360.01840	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01873	0.7
59.01373	2.4
63.13192	0.6
66.03485	1.3
67.02228	0.6
67.39973	0.6
69.89564	3.0
71.01376	2.5
73.02950	1.0
75.00866	0.7
79.77876	0.5
85.02949	2.5
89.02458	1.0
93.03460	2.4
95.01416	3.2
99.67760	0.5
101.02445	0.6
109.02966	1.9
110.02475	3.6
111.00914	0.9
123.00897	39.6
124.01202	1.0
133.02963	0.6
135.04523	1.2
137.02449	1.8
138.03241	50.6
139.03607	2.7
140.01160	1.2
145.59456	0.7
153.01949	1.3
153.05589	18.0
155.03487	2.7
163.93562	0.6
166.99861	11.2
173.04539	2.1
182.02234	36.9
183.02582	1.6
191.05630	2.8
191.07191	0.6
197.04567	100.0
198.04919	5.4
242.05878	2.9
249.06198	1.1
271.09808	2.5
359.05930	0.8
359.09973	3.2
360.09573	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01389	100.0
64.59824	2.1
67.01906	2.6
69.73316	1.9
70.71127	4.8
71.01393	58.8
72.99319	6.9
73.02943	2.5
81.03480	2.9
83.01389	5.5
85.02946	22.0
87.00882	4.7
89.02457	37.8
89.03000	2.2
93.03479	11.3
95.01412	6.4
96.28780	1.9
98.62598	1.9
101.02452	29.8
108.02190	9.3
109.02966	21.9
111.00913	2.7
111.04530	4.7
113.02448	21.8
114.07350	2.0
115.00366	3.0
118.27397	1.9
119.03535	11.2
120.99640	2.6
121.02961	14.6
123.00912	3.8
133.02925	2.9
134.03752	5.3
135.04533	17.9
137.02457	7.7
138.03233	3.7
139.00388	3.1
139.04076	3.4
143.34096	1.9
143.78085	2.0
149.06120	5.7
151.82565	1.9
153.05605	10.3
154.09145	1.9
155.03539	4.6
159.04495	2.2
161.02452	1.9
161.06085	6.5
166.99861	3.7
169.99800	1.9
173.04553	14.8
179.03503	7.6
181.01468	6.1
182.02226	7.8
182.05754	3.7
191.05643	28.1
196.03792	4.2
197.04550	68.5
197.08180	13.1
198.04997	2.5
207.73683	1.9
211.06178	10.6
224.03220	5.0
226.06439	2.4
239.05627	40.5
240.05983	3.2
241.05128	4.7
242.05836	22.4
243.06688	8.6
248.36685	2.1
250.06546	2.9
251.07402	3.0
257.08215	4.8
269.06738	3.7
271.09760	34.5
272.56503	2.3
285.11282	4.4
299.04535	2.3
299.07825	8.8
327.10950	11.4
344.07626	3.3
359.09924	93.5
360.10208	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	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34442	0.5
53.49416	0.6
59.01385	23.1
69.54028	1.2
69.54424	3.6
82.89347	0.6
85.16894	0.6
113.69093	0.6
169.03564	0.5
207.31107	0.6
238.29492	0.6
241.49040	0.6
277.21738	100.0
278.22067	11.0
359.22049	17.7
360.22440	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.8
60.01662	0.6
69.48256	1.7
69.48669	2.9
80.87440	0.6
82.38710	0.7
84.58101	0.7
97.35390	0.6
98.19965	1.3
127.76722	0.7
233.22778	0.8
277.21738	100.0
278.22067	10.2
359.22067	17.0
359.29236	0.9
360.22446	2.7
366.21838	0.8
370.84479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01385	16.0
59.33438	0.9
63.45513	0.8
66.03496	45.3
67.01891	1.9
67.03826	1.7
68.99830	1.5
69.03449	1.4
71.01389	14.8
72.99316	5.8
73.02964	0.9
74.01193	0.9
75.00887	14.8
83.01410	0.8
83.64586	0.8
85.02969	14.7
87.00892	4.8
89.02462	3.9
93.03477	5.3
95.01399	2.8
99.00904	5.9
103.00407	1.6
109.02956	3.0
110.02495	100.0
111.00881	3.3
111.02837	3.1
111.04525	1.5
113.02454	13.0
115.00407	1.5
117.01966	2.0
119.05034	2.5
129.02002	2.0
135.04533	1.7
137.02365	1.0
138.05733	1.0
140.01140	1.9
141.01488	1.5
142.07706	1.0
144.04633	0.9
155.03523	1.9
163.04021	2.2
173.04521	6.2
173.06871	1.1
175.02524	2.4
184.06171	2.5
191.05611	9.2
198.04985	1.0
226.76761	1.0
231.05147	3.4
242.05902	1.7
249.06174	36.9
250.06548	2.5
257.08157	1.2
267.07224	5.5
300.07266	2.1
338.88870	0.9
342.08459	2.5
360.09412	73.7
361.09888	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	360.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	55.5
67.89214	21.6
71.57338	17.8
71.57750	25.4
89.07756	20.5
216.91852	22.1
278.22070	100.0
361.27396	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	361.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98849	12.1
68.99825	20.2
71.01379	41.5
73.02956	20.3
74.02458	61.5
83.05030	20.6
85.02972	16.4
93.03458	22.0
96.54539	13.9
96.95982	20.8
99.00898	72.5
111.00882	23.4
135.04544	25.0
139.00401	41.0
146.25015	15.2
148.37004	15.3
173.04475	31.1
179.03482	27.0
191.05612	26.7
211.48070	16.3
263.36096	13.4
323.91058	14.4
329.90863	14.8
356.62415	16.1
361.12842	40.4
361.22336	31.6
362.25693	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	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59344	2.5
59.01389	59.8
60.76241	2.7
70.64708	2.2
71.01393	17.7
72.97528	5.6
73.02957	2.9
75.58500	2.4
76.96130	2.6
83.01433	2.8
85.02952	15.0
89.02467	7.4
93.53969	2.7
95.01388	6.2
98.20652	6.2
99.00846	3.6
101.02459	11.6
109.02942	2.4
111.00861	3.3
113.02475	12.6
119.03509	2.5
121.03002	3.0
123.00900	100.0
124.01727	11.6
137.02481	4.3
138.03247	87.5
139.04053	23.9
149.02493	3.0
151.04028	3.4
159.02991	5.0
161.04584	23.7
163.04021	4.5
173.04617	3.2
181.05051	10.7
191.05598	8.7
193.05177	3.4
251.25060	2.6
301.09290	34.7
302.09674	3.6
347.34567	2.3
361.08066	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57668	8.5
59.01375	31.0
61.98835	40.4
71.55678	12.1
79.95749	100.0
84.29312	9.3
84.49110	8.4
201.66946	8.7
219.91237	7.6
236.10634	8.4
273.22137	11.3
276.68921	9.3
284.78610	9.0
317.21094	10.6
349.43835	11.4
361.20035	13.4
361.23804	32.1
362.12897	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	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03447	1.6
58.00595	0.7
59.01386	19.8
60.00383	0.4
61.79956	0.5
66.31937	0.5
71.01389	15.0
72.99316	1.5
73.02958	4.6
79.00725	0.5
83.01399	3.9
85.02963	7.5
86.00122	0.9
87.00888	0.9
87.49935	0.5
89.02464	2.7
93.03469	0.8
95.01401	1.6
96.96031	1.1
99.00912	1.3
99.12139	0.6
101.02453	10.2
109.02907	0.7
111.00883	1.1
113.02469	4.2
119.03532	1.1
121.03017	0.7
122.03756	0.8
125.02526	0.9
133.01556	1.1
135.04486	0.8
137.02393	0.7
147.04555	0.7
150.04259	1.9
155.10805	0.9
161.04543	0.6
165.05569	1.8
172.18390	0.5
179.07091	0.8
181.12430	1.8
199.13425	7.0
200.13741	0.7
209.11891	4.1
253.14488	0.6
337.49716	0.5
343.17743	1.3
361.18750	100.0
362.19138	11.1
380.92484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.9
60.01709	0.3
70.35305	0.3
71.04766	0.5
91.91357	0.2
145.07669	0.2
261.22372	0.4
279.23312	100.0
280.23657	12.9
315.98267	0.3
318.23969	0.3
361.15466	5.3
361.23615	15.8
362.15411	0.6
362.23923	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	361.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50387	23.2
59.01382	100.0
66.92413	21.8
70.16088	20.3
70.93679	20.1
71.68856	21.1
89.41153	21.3
94.56444	19.6
117.47914	21.6
136.56093	22.7
136.98814	22.4
143.62247	22.8
145.50810	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2753
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
53.94733	0.3
56.59420	0.3
56.95282	0.3
59.01367	0.6
61.98820	0.7
69.81888	1.7
115.04029	0.9
353.04959	0.3
361.27505	100.0
362.27841	15.1
362.32401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
61.98831	0.7
63.59868	0.3
69.23214	3.7
69.70177	0.4
72.58980	0.4
72.60828	0.4
80.66589	0.4
84.33199	0.4
85.02946	0.6
93.28594	0.4
96.96025	1.0
97.79272	0.4
116.05074	78.5
117.05402	3.1
124.41051	0.4
125.09724	0.4
130.85156	0.4
165.30789	0.5
171.10304	0.5
195.29604	0.4
215.17998	0.3
215.92726	0.4
217.07724	5.6
221.11313	0.4
244.06604	0.6
244.84622	0.4
245.07207	100.0
245.52576	0.4
246.07640	14.1
247.08224	0.5
310.81235	0.4
327.21674	0.6
334.13611	1.6
362.13010	84.3
363.13321	11.9
363.21637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06429	0.9
59.01387	100.0
60.01719	1.4
60.48758	1.0
64.15746	0.9
66.99722	1.0
69.54709	7.1
71.01386	9.5
72.99313	1.2
73.02951	1.4
76.85727	0.9
78.23907	0.9
85.02966	8.6
88.05309	0.9
89.02440	5.1
93.03453	1.5
95.01406	1.1
101.02483	5.6
111.00845	1.1
111.04521	1.5
113.02438	3.1
118.58926	1.0
119.03468	1.5
119.05027	2.7
120.99650	1.8
121.02987	1.4
127.04061	1.1
135.04535	3.0
140.07193	66.6
141.07501	3.7
157.88388	1.0
161.04530	2.5
163.04034	4.5
164.04320	1.7
173.04553	4.5
179.03557	1.3
183.10243	1.4
191.05620	4.4
209.94379	1.0
253.50899	1.1
321.15491	1.9
363.12323	1.9
363.16611	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	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
58.00590	1.6
59.01385	100.0
61.98852	1.7
67.01875	1.3
68.19952	1.2
71.01388	28.4
71.09108	1.5
72.01734	1.4
72.99316	2.8
73.02952	2.9
76.18629	1.1
78.95919	1.5
83.01371	3.6
83.05083	1.6
85.02961	29.0
87.00877	3.0
89.02450	31.7
93.03452	4.2
95.01416	2.3
96.97000	1.9
101.02451	16.2
105.60410	1.2
109.02942	3.9
111.00865	2.0
113.02471	11.3
119.03505	12.6
119.04987	2.8
121.02997	1.3
122.06135	36.9
123.06461	2.3
128.03548	4.2
129.01941	2.9
131.03418	1.4
135.04544	13.6
137.02364	1.1
139.00325	1.8
143.03490	3.5
143.91389	1.1
147.02945	1.3
149.06111	1.9
159.02914	1.3
161.04549	8.3
161.05954	2.2
163.03912	3.2
171.07918	1.3
173.04578	6.9
179.03519	8.5
179.05614	13.4
182.99236	1.5
183.10213	1.6
191.01974	3.7
191.05650	16.8
192.06053	1.6
209.03046	5.5
242.05719	1.2
243.06606	6.0
247.53827	1.2
249.05487	1.6
332.09628	1.3
336.73636	1.2
363.16718	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	363.1302
Annotation	Pyridaben
Peak:m/z	Relative Intensity
50.28592	1.5
53.16632	1.5
55.01880	2.1
57.03438	6.4
59.01386	47.2
61.18189	1.4
67.01910	1.5
68.99796	2.0
69.03448	3.0
71.01004	3.0
71.01387	45.7
72.99306	10.9
73.02951	5.0
75.00882	32.8
83.01402	2.6
84.81905	1.5
85.02960	48.2
87.00883	16.9
89.02460	11.5
93.03472	2.2
94.02985	1.5
95.01395	11.4
95.05045	1.8
99.00895	21.0
99.04559	1.6
101.02456	4.8
103.00386	5.3
109.02946	2.1
111.00891	1.9
113.02462	60.4
113.06097	66.6
113.65278	1.6
114.06434	2.1
115.00388	4.1
117.01940	6.7
120.99665	2.0
123.56551	1.6
129.01941	4.7
134.71532	1.4
135.04602	2.2
141.12416	1.4
150.18533	1.5
157.01416	2.2
175.02475	5.7
176.05043	1.4
179.03377	1.5
183.10295	3.1
205.07207	6.2
207.05141	2.4
231.05139	3.3
249.06171	51.6
250.06493	3.7
267.07239	87.5
268.07550	4.9
327.69363	1.5
345.11697	2.2
363.12988	100.0
363.23334	7.3
364.13330	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38389	0.7
57.03445	1.4
59.01386	100.0
60.01716	1.7
61.89285	0.7
63.13381	0.7
65.92695	0.7
66.88882	0.6
70.03402	1.3
70.03812	2.4
71.01395	4.3
71.01724	0.7
71.08379	0.8
73.01173	0.7
73.02946	1.8
73.33224	0.7
85.02956	1.7
89.02447	1.9
91.05486	0.6
91.77863	0.8
93.03453	1.5
96.96008	0.9
101.02451	3.4
109.02977	1.0
113.02465	2.0
132.83614	0.9
134.03778	1.4
135.04471	2.6
158.03752	1.9
159.04361	1.1
164.07220	0.8
173.04558	1.5
179.03560	1.4
260.98151	0.7
303.14713	0.7
306.28433	0.7
309.17633	0.8
321.15585	1.3
345.23242	1.1
363.16370	2.6
363.23880	25.3
364.24118	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	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.40113	0.8
66.64240	0.8
69.31944	8.0
71.01388	5.7
73.02973	4.1
78.20498	0.9
83.05016	0.8
85.02959	2.7
88.19720	0.7
89.02450	2.3
93.03487	1.5
98.19935	1.7
101.02457	5.1
109.02957	1.9
113.02463	2.1
114.90404	1.0
118.87111	0.9
127.07608	0.9
132.05780	0.8
133.02946	1.4
135.04553	5.2
141.19452	0.8
144.30429	0.8
161.02417	1.1
161.04634	1.4
173.04556	1.1
174.44296	0.8
176.04092	1.1
179.03596	1.9
191.05602	1.3
205.05104	1.9
206.24094	0.9
223.06239	0.7
227.16490	2.0
235.07089	0.8
271.09805	2.1
363.16074	3.4
363.23849	9.6
364.24118	1.0
367.10330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01387	100.0
71.01387	19.5
71.56126	1.2
72.99297	1.6
73.02946	7.6
75.00863	1.7
82.03001	1.2
83.01392	1.3
83.91228	1.0
85.02958	5.9
87.00893	1.9
89.02448	19.5
89.02946	1.8
95.01352	1.0
99.00885	2.9
101.02454	11.8
113.02457	7.7
113.06083	1.3
119.03500	8.2
120.99664	1.9
133.02951	1.0
135.04562	2.4
136.04030	1.2
143.03545	1.0
145.02954	2.0
161.04593	2.7
164.03445	1.4
173.04636	1.3
179.05655	2.7
183.10263	3.8
196.06183	0.9
267.07138	1.5
277.54330	1.1
286.33014	1.1
287.10391	2.2
310.29211	1.0
331.09399	1.2
348.95862	1.0
363.12732	2.2
363.16644	37.5
364.16818	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	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01389	100.0
60.01735	1.1
61.98841	7.7
66.65282	0.8
68.50588	0.8
71.01395	15.7
71.29408	1.2
73.02965	1.8
83.01402	1.5
85.02956	4.6
87.00883	0.9
89.02457	16.7
89.39195	0.9
93.03489	1.1
93.12817	0.8
101.02475	9.1
113.02463	5.1
116.71587	0.7
119.03523	6.2
120.99619	1.0
135.04556	1.0
141.90637	0.7
143.03477	0.9
161.04509	1.4
163.03963	1.5
173.04445	0.9
179.05666	1.9
183.10225	1.8
201.11299	1.0
267.80484	0.8
321.15677	1.2
323.33905	0.9
363.12036	1.4
363.16599	13.6
364.16971	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	363.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33240	3.2
57.03450	4.0
59.01387	17.4
66.91247	2.7
70.12509	5.1
70.12910	8.9
70.79657	2.4
71.02335	3.0
85.43935	2.3
89.02408	2.6
96.96027	4.5
113.09722	7.1
125.09701	5.5
127.11404	2.8
171.10265	6.4
201.11339	37.3
213.11343	19.7
222.68698	2.4
275.36896	3.2
291.19736	4.4
309.20837	14.9
319.22498	2.8
327.21765	100.0
328.22165	10.0
363.17905	4.3
363.21686	7.5
363.25461	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	363.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.6
70.76468	15.1
71.05018	6.1
79.62481	4.8
79.95760	6.1
84.02135	9.1
85.02950	8.9
85.18158	5.1
96.96021	14.1
97.02936	16.7
109.06593	6.3
112.01981	4.6
125.09740	5.7
127.11234	8.5
137.09720	15.1
150.74211	5.0
155.10783	25.5
161.04611	5.0
171.10281	100.0
172.10687	8.0
193.08443	17.0
220.85886	5.2
226.94711	5.3
249.44069	5.3
251.31485	6.9
289.18140	71.7
290.18518	5.8
319.22772	9.8
327.21841	24.1
363.21994	34.2
363.25644	11.4
383.02832	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	363.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33379	35.4
59.01381	100.0
60.13543	38.4
62.45170	33.7
63.98613	42.5
64.01469	38.2
69.07493	41.5
71.45329	62.4
78.61920	39.3
87.31249	33.6
103.27032	36.4
117.82594	40.7
118.80900	36.2
126.58060	42.7
129.07016	37.0
129.90306	38.2
160.83217	41.6
275.51053	37.1
357.01035	43.3
357.33307	41.6
363.29172	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2542
Annotation	Ciprostene
Peak:m/z	Relative Intensity
54.36305	0.5
59.01375	2.0
71.56326	0.8
96.96033	1.4
200.55496	0.5
211.90379	0.6
222.96342	0.6
236.88855	0.5
301.25394	5.1
301.61490	0.5
302.25681	0.7
319.22668	1.2
319.26434	24.6
320.26675	3.2
345.24484	1.4
363.25443	100.0
364.25763	14.0
364.29437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1616
Annotation	isopentenyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
54.70450	0.6
56.29337	0.6
59.01385	100.0
60.01717	1.8
69.55907	1.7
69.56319	2.5
71.01399	4.1
73.02962	1.8
74.99121	1.5
83.01406	0.6
85.02970	1.0
85.18354	0.7
89.02464	1.6
91.21196	0.6
97.93307	0.6
101.02460	4.4
105.07784	0.7
110.61864	0.6
113.02483	1.3
116.54377	0.6
119.29515	0.6
120.99689	1.3
124.33135	0.6
124.34055	0.6
134.03764	0.7
159.03021	0.7
161.04610	0.9
167.27150	0.6
171.10199	0.7
183.10248	1.1
184.10640	1.5
193.85953	0.7
202.02933	0.9
204.69102	0.6
253.91904	0.6
277.05710	0.8
305.16141	0.9
364.11176	0.7
364.17114	1.3
364.24329	1.4
365.18127	4.4
365.22156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2629
Annotation	(+)-Spirofornabuxine
Peak:m/z	Relative Intensity
51.12432	5.3
58.65279	5.8
59.01387	100.0
62.76550	5.0
67.70971	4.8
71.56070	6.1
83.92582	5.6
96.96025	6.1
101.02465	4.9
123.96100	5.7
172.57671	5.5
236.35435	6.6
296.26785	16.7
305.16177	6.1
342.54718	6.1
348.22534	7.3
364.25510	97.1
365.26566	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78682	0.5
55.57388	0.5
57.03450	2.4
59.01387	19.6
67.01896	1.2
67.44151	0.6
68.99853	0.9
70.86291	1.0
70.86616	0.6
71.01390	13.2
72.99311	4.3
73.02948	1.6
75.00880	15.6
77.22711	0.5
81.03490	0.5
83.01418	1.0
85.02959	18.5
87.00887	6.2
89.02455	4.6
93.03465	0.7
95.00007	0.5
95.01401	5.1
97.06783	0.5
99.00881	8.8
101.02435	1.3
103.00388	1.7
111.00922	0.7
113.02464	22.5
115.00385	1.7
115.07663	100.0
116.08015	4.0
117.01968	2.9
129.01945	1.7
149.30951	0.5
157.01428	0.8
161.04590	0.5
175.02449	2.9
205.07167	1.0
206.51099	0.5
213.31311	0.5
231.05141	2.7
249.06163	16.1
250.06577	0.8
267.07248	2.1
285.17947	0.6
299.36255	0.5
305.12466	0.9
332.22128	0.6
347.13571	3.5
365.14532	59.5
366.14914	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	365.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43542	1.4
56.27055	1.6
59.01387	52.4
59.40461	1.5
60.01723	2.0
61.98844	7.5
69.29215	8.5
69.29648	5.6
71.01390	13.5
72.99313	1.9
73.02954	2.0
79.95742	1.7
80.96527	3.9
82.02996	4.2
85.02949	3.7
89.02435	8.9
89.84856	1.5
96.96024	4.1
101.02444	11.9
110.02422	1.4
113.02489	3.3
119.03565	1.8
119.05087	1.7
131.53473	1.7
145.07738	97.1
146.08064	3.8
154.28474	1.8
161.04477	2.2
173.04633	2.4
179.60921	1.8
188.08311	100.0
189.06795	3.8
189.08582	3.8
214.09879	35.5
215.10088	2.9
256.10950	23.4
257.11188	2.0
260.06995	3.0
279.13449	2.4
288.06598	2.0
289.07507	5.3
290.07697	2.5
304.10101	7.7
304.13046	6.8
305.12476	2.9
322.14096	60.9
323.14313	7.3
347.10452	2.8
365.10977	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	365.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.9
61.98825	9.2
70.90760	5.2
70.91131	1.6
71.01398	9.8
73.02962	2.1
80.96531	2.6
85.02945	3.7
89.02441	8.1
96.95985	3.1
101.02448	8.5
113.02452	3.6
115.92133	1.9
121.73656	1.7
133.75053	1.9
145.07724	100.0
146.08035	6.0
147.03166	2.0
160.03981	2.2
181.05263	2.7
188.08310	79.2
189.06833	2.3
189.08565	3.8
214.09854	33.0
215.10153	2.8
256.10962	18.3
268.10876	1.9
279.13519	2.8
289.07455	4.5
304.09683	3.7
304.12967	7.6
305.12628	2.6
322.14093	67.2
323.14337	6.1
333.87659	2.3
365.07053	2.3
365.10873	12.4
365.81497	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03445	1.2
58.00604	0.5
59.01388	13.1
69.03459	0.6
69.27859	4.4
71.01390	8.6
72.97536	3.2
72.99317	1.3
73.02956	3.6
75.36436	0.4
83.01388	2.2
85.02963	5.8
86.00119	0.5
87.00878	1.3
89.02455	2.4
95.01390	1.1
97.03036	0.5
99.00917	2.2
101.02452	10.6
111.00919	0.5
111.51976	0.5
113.02470	3.9
115.07649	1.3
119.03493	0.8
127.11263	0.9
129.01889	0.6
133.96840	0.5
134.97597	0.9
155.10802	0.7
157.12354	3.4
159.03041	0.5
161.04521	1.1
165.59363	0.5
171.10262	2.2
199.13426	0.6
203.12898	8.6
203.14677	0.9
204.13214	0.8
229.14461	1.0
269.65973	0.5
347.17007	1.2
365.18182	100.0
366.18576	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	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.7
59.01385	34.4
59.01686	1.6
66.75158	0.6
71.01372	2.0
71.05030	18.6
71.09943	1.0
71.10280	1.5
78.89570	0.7
85.02943	0.8
89.02482	1.0
91.04019	1.1
96.96020	5.1
97.06586	6.3
101.02466	1.7
103.24544	0.7
158.59747	0.7
181.12332	1.9
195.13963	0.9
201.02582	2.0
207.13911	2.6
217.15939	1.3
219.13893	3.2
235.17012	3.5
247.20657	1.8
255.95863	0.8
291.19684	100.0
292.19977	12.1
303.23389	1.3
305.16339	1.2
365.19672	2.1
365.23187	5.9
366.23450	1.2
373.00024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2336
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03435	1.4
59.01387	16.5
59.63625	0.5
70.79736	0.9
71.01389	0.8
75.89507	0.4
76.92165	0.4
83.01377	0.6
83.05003	1.0
91.03997	1.0
95.05074	0.5
96.96013	1.2
97.06610	0.9
101.02445	0.6
109.06609	0.7
111.08179	9.1
112.08504	0.4
113.02433	0.5
118.96942	0.4
121.10258	2.4
123.08034	0.4
125.09731	1.6
130.55035	0.4
137.09737	0.8
147.08180	0.7
161.04514	0.6
163.11421	0.5
167.10773	1.7
177.12881	2.4
179.10791	1.7
185.11867	2.3
195.13925	6.2
196.14302	0.5
197.11821	0.5
203.14397	0.5
209.11865	1.3
211.13385	0.5
247.20752	2.1
267.07816	0.7
267.79764	0.4
273.18668	1.1
289.17917	0.6
291.19690	100.0
292.20032	12.9
305.16168	0.9
365.14948	1.2
365.19382	0.7
365.23389	1.3
365.27219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24346	0.5
52.75158	0.5
55.68087	0.5
57.03469	1.3
59.01386	20.8
60.01735	0.6
71.01347	1.1
73.02962	0.5
85.02946	0.6
93.07119	1.2
94.32173	0.5
95.05097	0.8
96.96001	4.4
97.06581	2.5
97.59504	0.5
98.19767	0.8
121.10247	10.6
125.09734	7.0
141.12840	0.7
146.44272	0.5
147.08142	1.2
165.12848	0.7
171.10287	0.6
185.11838	12.6
186.12234	0.8
197.11877	2.6
201.02548	0.7
209.11855	1.4
211.13409	1.3
223.13542	0.5
229.02957	0.7
246.26123	0.5
263.20135	0.9
273.18643	2.9
285.24545	1.4
291.19690	100.0
292.20053	11.1
347.25830	1.0
365.19934	3.9
365.23502	1.5
374.74377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98843	31.0
69.56123	32.6
71.01402	6.0
96.96044	6.3
107.88691	4.6
140.42133	4.3
146.24396	5.2
283.26309	5.7
365.34256	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	365.2699
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
52.14716	0.5
55.01875	0.9
59.01108	0.9
59.01387	12.2
70.02711	2.0
71.01382	0.6
71.05036	0.6
83.05051	0.5
95.95197	0.4
96.57374	0.5
97.06564	0.5
109.76747	0.4
110.29634	0.4
113.02437	0.6
125.17731	0.5
137.06122	0.5
153.12878	0.9
155.14423	1.1
161.04492	0.6
163.11324	1.4
165.12784	2.3
177.25380	0.5
181.12335	1.3
199.13420	32.3
200.13742	2.6
209.11835	0.8
219.21208	0.5
305.15921	0.8
347.25919	5.0
365.26981	100.0
366.27316	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01384	6.8
65.61060	0.5
70.28811	1.9
70.29168	1.0
79.43391	0.7
85.06580	2.7
90.12878	0.6
97.71111	0.5
114.75587	0.6
199.13405	2.7
225.49834	0.7
261.18588	0.8
279.19705	17.3
280.20007	1.9
347.25998	6.5
363.25375	0.7
365.26968	100.0
366.27298	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	366.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.0
59.46663	0.2
70.29661	0.5
70.30012	0.3
71.01387	0.4
75.42016	0.2
85.02962	0.3
89.03990	0.3
93.03474	0.8
101.80888	0.2
106.04257	0.3
111.04548	0.6
116.05067	3.8
117.03467	1.8
117.05527	0.8
134.03757	19.1
149.06079	1.4
155.03514	0.6
159.03293	0.4
160.04056	100.0
161.04408	5.7
173.04568	1.6
174.01949	0.2
191.05653	1.1
193.05074	21.0
204.03046	4.2
239.63382	0.2
249.06204	0.3
343.28702	0.2
366.08316	15.5
367.08438	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	366.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13798	3.9
59.01104	6.2
59.01388	100.0
60.49036	3.6
61.98824	5.5
62.64171	4.3
65.04528	3.6
70.97018	6.6
71.01382	6.7
78.11578	3.9
80.96426	4.2
85.02964	4.1
96.96041	7.7
112.54993	3.8
134.03767	9.3
149.06065	26.1
171.10289	9.4
173.04555	8.0
193.05000	11.7
199.17049	18.2
222.08788	11.0
223.09505	7.0
236.10396	5.0
262.11786	14.2
275.20145	12.3
291.19791	4.1
293.21304	21.6
293.86584	4.3
295.22818	5.7
307.17477	4.2
309.20731	15.9
331.18945	36.2
366.23505	6.1
367.16492	8.4
367.20505	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	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77561	0.4
57.03452	0.6
59.01383	4.1
59.20875	0.4
61.91908	0.4
64.30202	0.5
67.01897	6.0
69.03461	0.6
69.34922	0.5
71.01394	1.8
71.52211	0.9
72.99319	3.6
73.02943	1.0
83.01388	3.5
85.02961	20.0
87.00903	1.3
89.02465	0.5
91.05538	0.6
93.03482	5.1
99.00877	1.3
101.02476	2.5
111.00896	100.0
112.01229	3.3
113.02480	0.7
117.03493	0.8
127.03986	0.7
129.01965	4.3
134.03757	5.9
145.02998	1.3
154.99896	14.0
173.00932	29.5
173.04556	11.4
174.01263	1.7
191.02069	2.5
191.05630	32.6
192.05978	1.8
193.05016	4.3
194.05446	0.5
224.29945	0.5
238.94223	0.5
249.06125	1.3
257.20267	0.6
265.05167	0.7
280.24094	0.5
366.18549	0.6
367.10202	1.5
367.18768	4.0
387.11044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25512	0.8
59.01381	1.6
67.01894	5.6
69.37669	5.7
72.99307	2.8
75.55473	0.8
83.01397	4.4
85.02968	14.7
93.03471	2.0
95.06079	0.7
98.20683	1.7
101.02482	1.7
105.18198	0.8
111.00893	100.0
112.01219	1.6
117.03476	0.8
129.01917	4.1
134.03752	3.3
154.99878	14.8
173.00920	26.1
173.04523	5.6
174.01263	0.9
191.05540	1.1
193.05064	1.9
273.72778	0.8
307.17654	0.8
339.88675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81269	0.2
57.03445	0.5
59.01384	3.3
60.99313	0.3
67.01897	2.1
69.03445	0.5
71.01395	1.6
72.99328	0.3
73.02938	0.4
77.26848	0.3
81.03460	0.5
83.01385	0.4
83.05014	0.5
85.02964	9.4
87.00887	2.3
93.03464	8.9
94.03815	0.4
99.00858	0.4
99.04532	0.5
101.02448	0.7
109.02962	1.0
111.00887	9.7
111.04530	2.3
112.01247	0.3
112.04819	0.3
117.03487	1.1
127.04033	2.3
129.01962	0.5
134.03767	6.8
135.04268	0.4
137.02481	0.7
145.02979	3.2
149.06088	0.3
154.99905	1.4
155.03481	0.7
160.01714	0.3
162.22032	0.3
163.04005	0.4
171.03026	0.9
173.00969	3.0
173.04550	8.3
174.04942	0.5
191.05630	100.0
192.05983	4.7
193.05060	4.1
229.01451	0.7
352.05704	0.4
367.10132	1.3
367.18713	0.5
387.10883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26452	0.5
60.99316	0.5
67.01894	4.0
69.03452	0.8
69.30434	0.8
69.30843	3.5
71.01383	2.0
72.89841	0.5
81.03461	0.8
85.02953	0.8
89.03960	0.7
92.08997	0.6
93.03468	19.9
94.03818	0.9
109.02924	0.6
111.00862	1.1
111.04546	2.8
117.03458	1.4
134.03754	13.6
137.02415	4.3
149.06094	1.2
155.03493	3.9
161.70915	0.5
173.04561	100.0
174.04932	4.6
191.05667	2.6
193.05074	16.0
194.05360	1.2
367.10284	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	367.1035
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
53.97214	0.3
57.44220	0.4
66.38888	0.3
67.01917	0.4
68.98512	0.4
69.46866	2.8
70.11364	0.4
71.82015	0.4
83.05033	0.5
85.02974	1.1
87.00940	0.4
87.48920	0.4
87.81916	0.3
89.03996	1.6
93.03449	2.3
101.02447	0.7
111.00874	0.5
111.04527	2.5
117.03471	7.4
127.04035	0.6
129.01985	0.7
134.03758	76.9
135.04102	4.6
137.02463	0.6
141.47336	0.4
149.06097	6.2
155.03526	3.2
173.04562	6.3
191.05634	5.2
192.06033	0.4
193.05081	100.0
194.05405	7.1
206.45250	0.4
229.71243	0.4
235.11966	1.1
367.10318	4.6
367.43344	0.5
368.10532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01369	1.4
59.18427	0.3
65.09864	0.4
67.01895	4.7
69.03461	0.7
69.54551	0.7
69.54960	1.7
71.01389	3.7
78.14797	0.3
81.03443	0.7
83.05045	0.5
85.02943	0.9
86.95620	0.3
87.00879	0.4
89.03973	0.5
93.03466	23.7
94.03790	0.7
109.02925	1.0
111.00887	2.6
111.04525	4.8
113.02401	0.4
117.03484	1.5
124.39439	0.3
127.04006	0.7
129.01979	0.4
134.03755	18.1
135.04085	0.8
137.02473	3.8
149.06076	1.8
155.03516	4.1
173.04561	100.0
174.04900	4.6
191.05632	9.9
191.07387	0.5
192.06091	0.6
193.05081	15.9
194.05411	1.1
367.10260	2.6
368.10611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01386	5.4
60.99307	0.6
61.98834	0.4
67.01897	5.3
69.03465	1.3
70.02641	0.4
70.02930	1.5
71.01388	4.1
73.02955	0.5
75.82516	0.4
78.95901	0.8
81.03464	1.3
83.01381	0.6
83.05036	1.3
85.02959	2.3
87.00890	0.8
89.03967	0.7
93.03467	31.8
94.03807	1.4
96.95951	0.4
98.20622	0.5
99.00935	0.4
99.04531	0.5
109.02964	1.1
111.00874	1.9
111.04531	5.8
111.05241	0.6
113.02471	0.7
116.48971	0.4
117.03471	2.7
120.99638	1.5
127.04059	0.5
133.02950	0.5
134.03760	29.4
135.04475	1.4
135.86711	0.3
137.02449	5.0
149.06119	2.0
155.03539	5.6
158.38138	0.3
162.02301	0.7
164.04843	0.7
173.04572	100.0
174.04924	4.8
176.04037	3.6
179.03566	1.8
179.07237	0.4
190.02769	0.5
191.05643	6.5
192.05879	0.5
193.05080	22.4
194.05455	1.3
199.13425	1.4
205.05040	0.4
278.05887	0.5
306.05426	0.6
307.17648	0.4
321.07715	1.0
322.08530	0.3
336.10022	0.7
337.07266	0.7
367.10571	2.6
368.10849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03837	0.9
57.03453	1.3
59.01386	37.3
65.06229	0.9
68.99857	1.1
69.03469	1.0
70.67677	1.8
70.68026	0.9
71.01387	11.1
72.99311	1.9
73.02974	1.3
75.00874	10.0
79.16549	1.0
83.05080	0.9
85.02956	14.4
86.03320	0.9
87.00893	4.5
89.01978	1.0
89.02478	3.6
89.04007	1.9
93.03491	3.7
94.59476	0.8
95.01418	3.4
96.86049	0.8
99.00912	6.1
99.04565	1.6
111.04559	2.4
113.02452	15.0
115.00417	1.3
117.02046	1.8
117.03485	8.7
117.05592	20.5
117.06420	1.3
118.05887	1.5
129.01976	1.3
134.03752	88.0
135.04118	3.9
149.06136	5.3
155.03590	3.2
161.04471	1.0
173.04590	7.6
175.02452	1.0
189.04344	1.0
191.05617	5.2
193.05072	100.0
194.05458	6.6
195.97542	0.8
231.05191	2.4
238.49081	0.9
240.43871	0.9
245.93970	0.9
249.06169	34.1
250.06616	2.6
267.07327	3.4
309.08240	6.6
349.11533	2.0
367.12610	50.8
368.13000	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	367.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01385	14.9
69.03457	0.5
69.64738	0.5
71.01382	2.2
71.58180	0.5
73.02935	0.7
73.58295	0.5
74.99148	0.5
80.54085	0.5
83.05028	0.6
87.48296	0.5
93.03466	2.1
95.05048	0.6
96.96005	3.6
97.02966	0.5
99.00884	4.5
101.02438	0.9
108.02218	0.8
113.02448	0.9
113.07294	0.5
117.03497	0.7
120.99693	0.7
121.02956	1.5
122.03638	0.5
134.03758	7.4
136.01674	0.6
137.02484	0.6
140.01216	0.9
147.04541	1.8
148.05319	100.0
149.02567	0.6
149.05629	4.7
154.22461	0.6
163.00369	0.5
163.07664	64.7
164.04822	1.5
164.08034	3.6
173.04582	5.6
177.05598	0.7
190.02679	0.7
191.05663	1.4
193.05066	7.3
205.05037	1.1
223.06227	0.8
223.13368	0.7
245.12163	0.5
263.12939	0.6
279.12466	1.2
289.10922	1.2
307.11954	3.6
349.12952	1.2
367.09723	1.3
367.14001	15.1
367.21475	1.7
368.14273	2.0
368.18021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44171	0.6
59.01387	5.8
66.53890	0.8
69.21250	1.2
69.21653	5.9
71.01401	0.7
93.03481	2.1
96.96005	0.9
102.10686	0.7
134.03761	2.5
148.05327	100.0
149.05652	6.2
161.02490	0.8
163.07674	69.0
164.07957	3.6
173.04610	5.0
193.05103	3.7
195.53156	0.6
199.13434	3.3
218.34218	0.7
283.52136	0.7
304.50323	0.7
307.11938	1.1
353.65753	0.7
367.13928	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	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56909	1.7
57.03450	5.3
59.01383	26.2
60.95243	1.5
67.01923	2.1
68.38530	1.6
69.64707	11.7
71.01383	8.6
75.61201	2.0
76.77521	2.0
83.01390	14.1
83.05029	3.8
85.02965	7.4
89.02454	2.0
89.03976	3.4
93.03469	17.0
96.96009	3.0
99.02769	5.2
99.04514	2.7
101.02428	3.4
110.17656	1.5
111.00877	7.7
111.04516	5.7
112.16093	1.7
113.02472	5.2
117.03494	11.2
133.02940	7.4
134.03755	89.2
135.04393	5.8
137.02431	3.8
143.42975	1.9
149.02470	2.3
149.05064	1.7
149.06050	8.0
155.03520	6.1
163.03995	3.4
164.04819	4.4
173.00970	1.5
173.03110	3.0
173.04561	41.0
174.04785	1.8
175.00499	2.0
176.04005	3.9
177.01967	2.4
178.02592	1.8
178.04602	4.4
178.54831	1.7
179.03494	3.9
179.07178	4.6
179.34566	1.5
190.02751	2.7
191.05528	8.3
193.05069	100.0
194.05428	6.6
194.84352	1.6
205.05092	4.3
221.40976	1.4
224.28290	1.7
239.11115	8.0
288.28067	1.6
367.10419	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	367.1657
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
54.00096	1.8
55.79915	1.7
59.01109	2.1
59.01387	33.0
60.22082	1.8
65.45872	1.8
69.03449	4.6
70.03165	7.4
71.01375	1.9
82.04729	1.7
85.02983	5.2
96.96019	4.8
97.02972	33.0
98.20053	2.3
103.25895	1.9
111.08185	2.9
124.00964	1.9
125.09751	2.5
134.03770	2.3
137.09735	7.5
158.06154	3.8
161.04518	1.9
164.14452	3.6
171.10303	8.6
173.04575	2.5
193.04999	2.7
195.13805	2.5
196.92508	2.1
207.10181	2.6
208.13460	2.8
221.11806	3.4
240.13643	3.4
247.20615	4.1
262.11877	31.6
263.12357	3.2
291.19696	40.1
292.20184	5.5
293.21277	7.1
307.17554	2.2
309.17178	3.8
309.20746	67.2
310.20959	6.1
313.18060	2.2
320.59866	1.8
331.18906	30.4
332.19107	2.3
367.16559	100.0
367.20419	6.9
368.16809	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43270	0.6
57.03447	2.9
59.01387	17.1
61.98821	1.6
70.10239	2.6
70.10594	1.2
71.01408	1.1
75.97604	0.6
83.05018	1.0
85.02923	0.7
93.03498	0.7
94.43847	0.7
96.96019	0.9
101.02450	0.9
113.09736	15.5
121.03071	0.7
134.03746	2.1
137.09773	1.1
139.11313	2.2
149.77922	0.6
155.10786	1.1
161.89417	0.7
167.10771	1.5
171.10257	1.3
173.04587	2.0
177.12830	0.9
179.10786	2.4
191.05544	0.8
193.05054	2.7
195.13922	2.2
240.99419	1.0
249.22295	2.2
262.28226	0.7
275.20288	1.5
285.30676	0.7
291.19708	1.4
293.21246	100.0
294.21567	11.4
307.17682	1.2
309.20868	2.1
330.05505	4.8
331.05847	0.7
331.18921	1.4
367.17087	5.3
367.24606	0.8
368.17285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.9
58.88007	0.7
59.01387	25.0
60.07081	0.8
61.98836	1.4
71.01381	1.1
71.56442	0.7
101.02451	1.2
113.09738	15.4
114.10069	1.2
121.02914	0.8
134.03751	2.4
139.11322	1.8
139.50865	0.8
161.04596	0.9
163.06122	0.8
167.10800	2.6
173.04521	1.4
177.12810	1.8
179.10791	2.5
180.53868	0.7
193.05022	1.5
195.13873	3.5
200.42137	0.7
233.11612	1.0
249.22278	2.1
293.21265	100.0
294.21582	12.5
307.17599	1.8
367.16632	2.9
367.24860	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	367.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90997	0.6
57.03452	0.8
59.01387	17.6
61.98827	0.7
69.03452	0.6
69.87441	3.2
71.01387	2.7
72.99311	1.0
83.79786	0.6
87.24376	0.6
89.02475	3.4
89.02941	0.6
91.04027	12.7
93.03495	1.1
95.05020	0.9
96.96030	1.0
97.02960	2.5
97.93671	0.6
101.02472	0.7
111.08130	0.8
121.02934	0.7
121.10214	0.7
125.09727	0.7
134.03770	2.1
153.47163	0.7
155.03551	0.7
159.18198	0.7
171.10301	1.5
173.04501	1.5
179.14482	1.1
180.81322	0.7
193.05075	2.1
193.08447	0.9
195.13908	8.5
199.17049	1.4
205.12399	0.6
205.16049	1.3
222.08711	6.4
223.09480	2.7
223.13373	6.1
224.13829	0.6
231.21155	0.6
256.13235	1.9
258.05179	1.5
261.11029	1.9
262.11932	7.7
266.07571	0.7
275.20166	6.6
276.20471	1.5
291.19760	2.1
293.21265	100.0
294.21582	10.8
295.22797	0.8
298.08292	1.3
309.20840	5.1
324.38800	0.6
331.15210	1.0
331.18961	15.3
332.19308	1.6
367.16553	1.9
367.25357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00947	0.8
59.01387	23.5
61.25729	0.6
61.98843	1.6
68.81997	0.7
69.94021	1.5
69.94428	2.4
71.01383	2.9
75.24972	0.7
75.72868	0.8
83.04993	0.8
88.37062	0.8
89.02454	3.3
91.04012	11.6
93.03500	0.9
95.02046	0.8
97.06577	1.0
111.08167	1.2
118.65666	0.7
121.02968	1.5
121.10219	0.7
134.03761	3.0
167.10777	0.8
171.10266	3.1
173.04593	2.5
179.14458	0.9
193.05020	3.5
195.13925	8.8
196.14275	0.9
199.17096	5.6
205.12386	1.1
205.15932	1.2
222.08786	4.1
223.09465	0.8
223.13382	6.7
228.13734	1.2
256.13199	2.0
265.21826	0.9
275.20178	6.4
276.20526	1.2
291.19952	1.1
293.21265	100.0
294.21603	9.8
295.22806	1.3
307.17661	1.0
309.20706	2.9
331.18863	6.8
349.23877	0.9
367.16287	2.3
367.24969	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	367.2647
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.64016	0.5
56.03003	0.4
56.39794	0.4
59.01384	7.1
61.00983	0.6
61.98822	0.6
70.65318	0.4
71.32991	0.9
133.06602	2.2
134.03760	0.7
149.09740	90.3
150.10077	5.8
189.12860	1.0
193.05119	0.8
205.15999	96.5
206.16339	7.4
239.66846	0.4
307.17715	0.5
367.26440	100.0
368.26779	19.3
368.31461	0.6
391.67679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09551	1.1
55.01881	4.1
57.03454	19.3
59.01379	4.6
61.59882	1.2
61.98814	1.5
65.35184	1.1
67.01900	3.1
68.99833	1.2
69.65893	6.3
71.01390	8.8
72.99319	2.6
73.02963	2.6
83.01389	10.0
84.02153	2.3
85.02959	100.0
86.03309	3.1
87.00887	3.8
93.03471	13.8
96.55210	1.1
99.00877	1.5
101.02479	5.6
107.04993	1.4
111.00893	30.6
111.04533	3.5
119.05032	11.8
123.04526	6.1
129.01958	36.8
133.02995	11.5
134.03758	2.3
135.04584	5.2
145.02818	1.1
147.04477	1.6
151.04004	2.4
155.03473	1.7
161.04663	1.9
163.04019	8.5
173.04558	20.6
177.01955	3.7
179.03458	1.5
187.02470	2.1
191.05629	29.7
193.04996	1.6
195.02980	5.3
197.58989	1.2
205.03563	22.2
215.05695	1.5
223.04601	40.0
369.08267	5.2
369.12311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73965	1.2
55.01884	4.7
55.07588	1.2
57.03451	20.8
57.45159	1.0
59.01380	4.6
67.01892	1.8
71.01391	8.1
71.47349	2.4
72.99316	2.5
73.02948	2.8
75.00880	2.2
83.01385	9.0
84.02197	2.4
85.02963	100.0
86.03298	2.7
87.00884	2.2
93.03474	4.3
99.00877	1.5
101.02448	6.3
109.02979	1.8
111.00896	27.8
112.01272	1.4
116.58176	1.4
119.05046	8.9
121.22083	1.3
123.04528	1.4
129.01961	37.7
130.02238	1.3
131.03532	1.2
133.02943	6.9
145.02924	2.5
147.02959	1.6
151.04005	1.6
161.04546	2.9
163.04031	10.3
173.04564	7.0
177.01973	1.3
191.02051	2.5
191.05591	6.1
195.03011	2.2
205.03560	25.2
223.04607	51.3
223.06812	2.5
224.04968	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	369.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03451	1.1
59.01384	4.9
60.47874	0.4
68.99827	35.0
69.25861	2.8
69.26270	1.3
71.01391	9.2
72.99303	0.8
73.02959	10.3
83.01408	2.1
85.02969	6.0
87.00890	0.9
89.02474	0.5
93.03458	0.7
95.01399	0.5
96.95992	0.5
97.02889	0.5
97.06628	0.6
99.00894	100.0
100.01228	1.7
101.02457	7.4
109.02920	0.6
111.00906	0.7
113.02480	3.4
115.97950	0.5
117.01967	1.0
125.98449	0.5
129.01982	0.6
133.02986	0.8
135.04535	0.7
137.02473	2.8
141.70490	0.4
143.03568	1.0
149.06154	0.6
150.05656	1.0
159.02995	1.1
161.02501	0.8
161.04576	7.0
162.02415	0.5
164.04935	0.5
166.05083	3.0
173.04565	0.7
178.02769	0.5
179.03511	0.6
191.05661	1.8
224.44685	0.5
239.02266	0.5
269.10309	7.8
369.23120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1346
Annotation	Fragransol D
Peak:m/z	Relative Intensity
57.03453	1.3
59.01369	3.4
65.92702	0.8
69.03474	0.8
71.01385	3.2
71.05015	0.9
73.02941	0.9
78.95937	0.9
83.01389	1.4
85.02956	5.1
87.00901	1.3
93.03460	2.4
96.96042	1.4
97.06605	0.9
101.02444	1.1
113.02460	2.5
119.05070	0.9
132.02188	5.3
133.02968	1.3
135.04555	2.0
137.02466	2.3
145.02930	1.7
146.03760	3.2
147.03149	1.2
160.01677	11.2
160.03966	1.2
161.02415	2.0
161.06088	1.2
162.05598	2.9
164.04788	3.2
175.03909	1.1
179.03606	1.4
179.07112	8.8
179.94867	0.7
180.07407	1.0
205.06595	0.8
206.04507	0.9
209.05930	1.0
211.07707	1.7
213.05408	1.0
217.06619	0.8
221.06146	2.5
222.06831	5.2
223.04216	1.0
223.07573	3.5
224.08423	3.1
225.05540	3.6
226.06285	0.9
234.06831	0.9
235.07710	1.3
237.05623	1.6
237.09215	1.6
238.06322	2.3
239.07109	3.0
239.14911	0.9
240.07973	10.1
241.08345	0.9
243.06618	6.6
244.07283	5.7
249.05528	1.1
250.06349	2.4
251.07079	4.6
252.07886	4.0
253.04787	1.2
255.10263	4.5
256.07321	0.8
256.10602	1.0
261.05630	1.1
262.06363	2.4
263.07074	2.5
265.08514	1.3
267.06625	3.3
267.10239	2.0
268.07422	19.3
269.07806	1.7
277.05127	1.1
278.05957	2.1
279.06522	6.8
280.07422	18.6
280.10309	1.5
281.07993	4.6
283.09750	15.8
284.10190	2.0
290.05859	1.4
291.06631	1.4
293.08286	5.4
294.08942	3.7
295.06052	4.2
295.09396	1.7
296.06946	15.2
297.07217	1.8
307.06128	5.0
308.06934	19.6
308.10504	1.5
309.07684	17.9
309.11182	1.7
310.08112	3.1
311.09253	8.8
312.09866	1.5
321.07712	5.2
322.08521	8.8
323.09265	36.1
324.06363	18.0
324.09991	16.8
325.06772	2.2
325.10431	2.3
337.10843	10.2
338.07660	1.6
338.11606	23.9
339.08743	100.0
339.12262	10.1
340.09082	13.5
340.12885	1.7
353.10342	10.3
354.11127	69.8
355.11481	9.0
369.13443	59.0
369.22958	3.9
370.13757	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	369.1816
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
51.10262	2.3
59.01392	9.7
60.87715	2.1
61.98833	3.1
71.56659	3.2
77.45616	2.2
79.90253	1.9
83.05042	2.6
96.96003	2.5
98.51747	2.4
100.18335	2.6
103.09415	2.1
121.10365	2.5
137.48419	2.1
139.11365	7.8
143.23511	2.2
166.76035	2.5
171.10260	14.3
179.91869	2.4
193.08356	2.3
197.11948	3.3
210.86325	2.5
293.21216	19.5
294.21927	2.6
311.22263	42.2
311.25195	3.0
312.22794	5.2
333.20255	10.1
369.18216	100.0
369.22580	4.1
370.18484	10.5
370.26721	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	369.1813
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
54.81931	1.2
54.86303	1.3
57.03458	1.5
59.01385	4.5
61.98817	1.8
64.05963	1.2
66.75913	1.2
67.55141	1.2
69.53687	4.4
69.54111	4.3
73.94095	1.4
97.02968	1.9
113.09723	3.5
137.09740	1.5
139.11308	10.9
152.01195	1.4
171.10304	15.7
173.39841	1.4
185.11653	1.2
193.08589	2.4
211.13373	1.6
261.11133	3.3
262.11871	9.0
269.08112	1.5
293.21317	14.2
300.08002	1.8
309.20755	2.3
311.22299	44.7
311.25809	2.6
312.22705	3.6
331.18900	7.4
333.20453	6.9
369.18173	100.0
369.26382	3.7
370.18472	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	369.2438
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
53.81224	0.5
54.14466	0.5
59.01385	8.0
64.56975	0.5
78.95910	0.8
85.78418	0.5
91.01312	0.5
92.29095	0.6
104.02674	0.7
121.03145	0.5
133.10266	2.2
141.67780	0.5
147.08157	1.1
161.09715	1.4
163.11304	100.0
164.11626	6.6
179.10794	20.2
180.11118	1.3
187.11333	1.0
193.12364	24.6
194.12683	1.1
280.14777	0.7
307.30008	0.7
308.30490	1.7
309.22134	0.9
337.21762	11.8
337.25620	0.9
338.22128	1.4
369.24368	77.3
369.31448	5.4
370.20364	0.5
370.24686	12.9
388.30643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2648
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
59.01392	1.3
64.70640	1.0
65.63772	1.0
71.05032	0.9
71.93119	0.8
74.20970	1.0
99.00898	4.1
123.45824	1.0
132.68341	1.0
142.02710	1.8
151.60379	1.1
154.85591	0.9
163.11334	5.6
179.34360	1.0
182.71803	0.9
193.12411	4.6
214.72563	0.9
251.23749	4.6
289.25403	3.7
307.26431	12.1
308.26871	2.7
311.17020	1.0
323.26086	1.8
325.27472	14.4
326.27829	2.0
333.24362	29.1
334.24893	5.0
351.25430	27.1
351.28989	0.8
352.25873	3.8
369.26413	100.0
369.30273	11.3
370.26837	16.1
370.30878	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	369.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89249	0.7
57.03450	1.4
59.01380	5.1
61.98826	0.8
64.14085	0.6
71.01379	1.7
71.18910	1.1
85.02969	0.8
89.02451	2.9
91.04025	10.3
96.96020	0.8
97.82764	0.7
101.02439	0.7
113.09721	1.5
179.14427	1.0
195.13925	17.3
196.14384	1.1
214.51169	0.7
277.21759	17.0
278.22165	2.5
293.21075	0.8
295.22806	100.0
296.23151	12.5
306.95413	0.8
333.20593	0.9
369.26660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.0
59.01389	6.2
71.01381	3.8
71.55453	1.4
73.73729	0.9
84.30042	0.8
85.02961	0.8
89.02462	2.3
91.04014	9.5
104.96041	1.0
113.09751	1.1
163.17113	0.9
170.05902	1.3
171.10298	6.1
179.14534	1.0
195.13924	14.4
196.14233	1.4
222.08731	16.1
223.09364	1.2
236.10283	4.2
254.07753	2.8
258.05099	3.0
277.18082	24.9
277.21692	18.1
278.18469	3.9
278.21674	1.7
293.21057	1.7
295.19229	14.3
295.22748	100.0
296.23096	13.5
311.22363	11.8
312.22638	2.0
333.16690	1.9
333.20480	27.7
334.20847	4.2
369.17944	8.1
369.22794	15.7
369.26828	2.0
370.18658	1.0
370.23297	2.7
378.77396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.18165	0.3
55.79878	0.3
57.03445	0.8
58.62126	0.3
69.03428	0.4
77.63993	0.3
77.74206	0.3
98.20764	0.5
126.95130	0.3
192.32948	0.3
279.27023	0.7
301.56641	0.3
305.28491	1.1
307.30084	68.0
308.30453	8.8
325.31128	1.7
351.29083	18.2
352.29407	3.0
369.30112	100.0
370.30453	16.2
373.33649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35292	0.9
57.03457	7.9
59.01383	9.2
67.01891	2.3
70.82339	2.5
71.01389	12.5
72.99298	5.8
75.00893	1.4
81.03471	1.0
83.01398	1.2
83.05056	1.7
84.02201	2.0
85.02961	73.4
86.03276	1.5
87.00889	5.8
89.02448	5.7
93.02936	1.9
93.03474	20.6
109.02980	1.8
111.00901	3.4
111.04520	3.5
123.04534	4.7
129.01962	4.7
133.01434	5.7
134.03757	1.4
135.04544	100.0
136.04872	3.6
137.02460	4.2
147.03004	3.6
153.05589	1.8
155.03505	3.4
161.02501	2.0
173.04570	48.1
174.04918	2.5
179.03520	9.3
191.02037	18.6
191.05635	75.1
192.05983	2.6
197.04573	9.5
209.03052	85.8
210.03349	2.0
326.81192	1.0
341.08817	1.6
353.08969	5.5
371.09836	16.9
372.09897	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	371.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50658	0.9
55.01892	2.0
57.03454	8.7
59.01387	8.0
62.61667	0.8
67.01888	1.5
68.27966	0.7
68.99809	0.9
71.00421	2.0
71.01395	11.0
71.38473	0.7
72.99316	5.2
75.00864	2.0
83.01393	1.9
84.02148	2.5
85.02963	78.0
86.03312	1.1
87.00886	2.2
89.02458	4.0
93.03464	11.0
99.00906	1.0
103.00384	1.0
111.00890	3.1
111.04515	1.5
115.00337	1.4
123.04536	1.1
129.01971	6.2
133.01471	5.1
135.04547	10.5
147.03040	5.4
153.86462	0.8
166.13849	0.9
173.00916	1.7
173.04568	16.8
179.03500	5.2
191.02023	21.4
191.05597	6.2
192.02370	1.4
197.04512	3.6
209.03056	100.0
210.03392	4.2
223.19801	0.8
224.46823	0.9
289.13135	0.9
341.08929	1.0
353.08920	1.2
371.09799	8.9
372.10074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.1
57.03454	8.1
59.01385	10.7
59.33704	1.0
67.01893	3.8
69.03465	1.4
69.71776	5.2
71.01392	14.9
71.79079	1.0
72.99320	14.5
75.00874	1.7
83.05052	1.1
84.02175	1.4
85.02962	68.5
86.03327	1.8
87.00873	6.1
89.02461	3.7
91.49050	1.0
93.03476	23.2
103.00416	2.4
109.02971	1.9
111.00897	4.1
111.04543	4.5
123.04549	7.4
129.01955	4.2
133.01442	6.2
134.03711	1.2
135.04547	52.3
136.04898	2.5
137.02446	2.5
147.02971	2.3
153.05586	1.6
155.03484	2.6
163.07645	1.0
170.95222	1.0
173.04564	83.8
174.04933	2.9
179.03514	13.6
191.02011	15.4
191.05629	42.1
192.06062	1.1
197.04575	22.8
209.03047	100.0
210.03387	2.4
214.83266	1.1
221.21886	1.1
265.27054	1.0
341.08771	2.5
353.08768	4.7
357.71231	1.1
371.09848	17.8
372.10080	1.8
386.45758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0776
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01390	1.3
61.22595	0.3
71.01382	0.5
78.18963	0.3
78.46143	0.3
83.01410	1.6
85.02978	0.4
96.96040	0.4
108.02171	0.3
121.02969	100.0
122.03298	5.0
122.04126	0.4
126.47603	0.3
131.82866	0.3
135.04555	0.5
136.05325	0.5
136.46136	0.3
149.02467	0.7
151.04016	0.3
174.40974	0.3
179.03520	11.3
180.03853	0.5
181.06616	0.7
213.52374	0.4
225.05656	0.5
239.07152	0.5
278.80499	0.3
301.77435	0.3
306.58908	0.3
356.12735	0.4
371.07751	10.5
371.14893	0.6
371.28204	0.5
372.08203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.98990	0.8
55.01873	1.1
57.03447	3.1
58.00565	0.7
59.01110	1.2
59.01388	17.5
69.68515	3.9
71.01395	17.9
72.99316	6.1
73.02958	2.8
75.00878	18.4
83.01377	1.7
85.02957	22.0
86.03289	0.8
87.00880	7.5
89.02455	5.3
93.03430	1.1
95.01405	5.9
98.19844	0.9
99.00887	11.7
101.02472	1.5
103.00384	3.1
104.83112	0.7
109.02901	0.9
111.00909	0.8
113.02462	31.5
115.00378	2.7
117.01944	3.3
121.02967	100.0
122.03287	4.2
129.01953	1.8
135.04565	0.7
135.51392	0.7
139.84523	0.7
157.01367	1.2
164.98874	0.8
171.90071	0.8
175.02504	3.0
193.03606	1.3
209.03056	1.7
231.05145	4.6
244.97629	0.7
249.06172	25.3
250.06454	1.1
259.97684	0.7
353.08728	2.1
371.09854	65.9
372.10199	7.4
376.07550	0.8
384.00510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.2
57.03451	2.5
59.01388	17.7
62.64770	1.0
67.01879	1.7
67.21164	0.8
68.26852	0.9
68.89613	0.9
68.99823	1.9
69.03455	2.0
69.45222	5.5
71.01393	17.6
72.99316	5.5
73.02951	1.9
75.00877	20.2
81.03445	1.1
83.01405	2.0
85.02961	18.8
87.00893	7.8
89.02453	4.9
92.19789	0.9
93.03475	2.0
95.01402	5.6
99.00898	12.0
103.00378	3.0
111.00903	1.4
113.02465	25.4
114.02812	0.9
115.00372	2.0
117.01952	3.9
121.02971	100.0
122.03296	4.2
133.62996	1.1
175.02478	2.5
227.60431	0.9
231.05159	6.6
236.71321	0.9
249.06180	69.4
250.06578	6.0
353.08331	1.7
371.09857	50.0
372.10263	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
55.01877	0.4
57.03458	1.6
59.01388	7.7
59.48521	0.4
62.29268	0.3
68.99822	0.4
69.03466	11.4
69.27558	3.5
71.01383	3.1
72.96221	0.3
72.99324	0.8
73.02965	0.5
79.01897	8.3
81.03475	0.8
83.01408	1.4
85.02961	10.4
87.00880	0.5
89.02465	1.0
91.01925	0.4
93.03466	0.8
95.01409	2.0
97.02962	6.7
99.00879	0.4
101.02450	1.0
102.98635	0.5
107.01405	26.1
108.01685	0.6
109.02988	0.7
110.07790	0.3
111.00920	0.4
113.02474	2.8
119.05003	0.4
121.02962	1.7
123.00909	3.7
125.02467	13.2
126.02788	0.5
127.77180	0.4
129.01959	0.5
130.08765	0.4
133.01414	0.6
133.02959	0.6
135.00909	15.3
135.04559	2.8
136.01646	1.1
137.02486	0.5
143.11884	0.5
147.02995	0.7
149.02464	1.5
151.00378	19.3
151.03996	0.5
152.00732	1.0
153.01970	0.9
161.02496	0.7
161.04669	0.4
163.03964	1.8
165.01936	0.9
166.02731	100.0
167.03505	29.6
167.07141	0.7
168.03882	1.3
173.04576	0.8
177.01979	3.3
179.03563	0.7
189.02132	0.4
191.01974	2.0
191.03525	0.7
191.05568	0.7
209.03029	9.3
209.04654	2.5
221.04576	1.1
287.09338	0.6
311.07965	0.6
313.11810	0.5
339.07251	1.2
363.23770	0.4
371.09937	8.4
371.20859	0.8
372.10162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.5
69.03462	11.7
69.33932	2.9
69.34357	1.7
71.01380	0.9
79.01897	11.2
79.02368	0.6
85.02962	2.0
95.01398	2.1
97.02965	7.6
101.02446	0.7
102.98590	1.3
107.01401	26.2
121.02958	1.6
122.03645	0.5
123.00897	3.0
123.04527	0.6
125.02454	12.1
126.02798	0.7
133.02975	0.6
135.00900	21.4
135.04488	0.9
135.32011	0.5
136.01566	1.0
149.02457	1.5
151.00394	17.2
153.01953	0.7
163.04047	1.3
165.01982	0.8
166.02728	100.0
167.03499	30.4
168.03848	1.9
177.01958	3.4
179.03503	0.8
209.03000	1.2
209.04684	3.3
221.04607	0.7
289.14548	0.5
339.07150	0.9
371.09872	8.3
372.10291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
57.03453	1.0
59.01386	7.4
65.00346	0.5
67.02286	0.2
69.03471	0.4
69.37425	1.8
71.01389	2.1
75.00869	0.3
81.03468	7.1
83.01391	3.8
83.05039	8.2
84.05344	0.2
85.02959	3.9
87.00897	0.4
87.31464	0.2
89.02456	0.5
91.01915	0.6
93.03457	0.9
95.01413	0.7
95.05027	1.3
97.02954	0.7
99.00869	0.4
99.04502	0.3
100.07714	2.2
101.02431	0.5
107.01422	0.8
108.02198	0.4
109.02967	0.7
111.00907	0.2
111.04579	0.4
113.02480	1.4
114.03411	0.3
119.03432	0.3
119.05080	1.0
121.02980	1.0
123.04540	36.0
124.04838	2.0
125.02467	4.6
126.05645	0.3
130.08763	0.4
131.01434	0.3
134.89836	0.3
135.00893	1.0
135.04547	2.3
137.02473	1.1
137.06078	0.3
138.09282	0.4
139.04002	0.5
147.03116	0.2
149.02507	1.3
151.00397	1.9
151.03981	1.3
152.01201	0.7
159.07732	0.3
161.02457	0.3
162.03304	0.3
163.04065	1.7
165.01846	0.2
165.05623	0.3
166.02725	1.3
167.03513	100.0
168.02480	0.5
168.03842	4.4
168.05118	0.4
173.04631	0.3
175.00371	1.0
179.03465	1.5
180.04297	0.6
181.05090	3.1
190.02701	0.6
191.02060	0.8
191.03522	19.0
192.03879	0.8
193.05154	0.6
199.18150	1.3
209.02968	1.6
209.04640	8.0
210.04930	0.6
221.04564	2.6
222.01619	0.3
225.16089	1.6
243.17155	4.7
249.06235	0.3
258.48160	0.2
269.15076	0.4
297.04294	0.2
309.86365	0.3
327.08743	0.5
353.20654	1.2
361.12491	0.2
371.09979	3.2
371.21863	15.6
372.10361	0.6
372.22009	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	371.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64167	2.9
57.03434	3.4
58.35781	2.7
59.01392	21.3
59.86381	2.7
60.26316	2.8
61.98846	6.7
71.01387	9.6
78.11546	2.7
79.95747	3.5
83.01392	16.2
85.02958	14.6
90.87132	2.5
93.03464	7.3
96.96001	5.5
97.06619	4.8
101.02425	3.1
108.02168	3.6
109.02962	71.2
119.05051	6.9
121.02953	17.3
134.03780	2.9
135.04524	20.6
136.01675	24.7
136.05255	3.4
137.02443	5.5
137.20471	2.5
141.25414	3.0
145.02942	4.9
147.04495	2.8
151.04016	35.2
159.04550	14.6
160.05299	49.7
163.04028	5.2
173.04494	7.8
175.06268	3.4
175.07652	31.9
179.03487	9.8
189.05597	3.7
191.05612	7.3
209.03093	12.9
209.08081	3.4
211.07668	4.2
221.06093	2.9
222.06778	2.8
239.07144	20.1
249.05534	4.2
250.06390	6.5
266.05527	3.4
267.06635	100.0
268.06967	6.7
282.08997	74.1
283.09314	5.8
297.11340	71.3
298.11642	5.8
312.10022	12.4
327.08667	6.0
327.12390	91.8
328.12756	11.0
371.11166	11.9
371.15198	6.2
371.20816	5.2
371.24908	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	371.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	47.9
70.38114	1.9
71.56222	2.8
75.00883	9.9
77.44792	2.0
77.56876	1.8
83.01399	10.2
83.17186	1.7
85.02956	2.2
101.02435	2.9
121.02973	3.3
136.05304	2.6
154.13821	1.7
163.52034	1.9
170.88133	2.1
194.10019	1.7
291.27084	4.4
309.28018	29.6
310.28317	3.3
311.25955	76.5
312.26358	8.0
312.39038	1.9
313.24014	3.7
353.26852	11.8
371.28076	100.0
372.28333	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.4
59.44809	12.7
61.98842	100.0
62.64262	13.2
66.20063	12.6
69.79428	69.3
71.01379	14.3
83.01418	14.2
96.96027	21.1
107.47992	12.4
121.78898	14.7
125.58959	13.0
128.46193	13.0
166.94965	12.8
358.49155	16.6
373.16385	18.4
391.65753	17.5
395.90778	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	372.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93187	24.9
59.01366	58.0
61.98820	100.0
71.56270	37.5
83.01419	38.7
95.30095	25.7
109.02000	26.1
128.39227	26.6
149.55519	25.0
194.64758	22.9
240.59293	24.1
264.44504	25.8
326.17352	24.5
372.18378	42.7
373.23969	50.4
392.22641	23.9
394.35019	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28146	0.4
59.01385	5.3
59.36243	0.4
61.98838	0.8
62.15625	0.4
63.53704	0.4
69.77940	2.0
69.78327	0.8
71.01390	1.1
82.00601	0.7
85.02967	3.3
89.02443	0.5
93.91988	0.4
101.02467	0.6
103.90606	0.4
108.02148	0.8
110.00112	8.3
110.00865	0.7
111.00928	1.0
113.02467	2.0
119.03516	0.4
120.97461	0.4
123.00916	1.0
124.01660	1.8
125.02460	7.0
137.02493	0.8
137.99603	9.1
138.03323	0.5
139.00407	7.5
140.00951	0.4
142.29208	0.4
149.99628	1.2
150.03200	0.5
151.04004	0.6
152.01184	2.0
153.01955	100.0
154.02713	10.8
155.03523	1.2
161.04645	0.6
166.02727	1.4
167.03502	6.9
168.00717	3.1
168.04298	46.7
169.05087	22.0
170.05453	1.3
179.03557	0.9
181.05133	1.7
181.08739	0.5
184.57275	0.4
191.03773	0.5
191.05513	0.9
193.05098	0.7
196.03690	0.6
209.04643	0.6
211.06128	1.5
221.04495	0.4
273.14191	0.4
373.07196	2.8
373.11462	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
59.19783	0.4
69.03458	0.4
69.54312	0.9
69.54738	1.2
71.01395	0.9
72.99316	0.5
73.02962	0.4
78.39272	0.3
82.00604	0.6
85.02943	1.9
93.30888	0.3
94.03885	0.3
95.01430	0.3
97.02991	0.4
98.19901	0.6
101.02460	0.7
110.00112	7.4
111.00897	0.9
113.02439	1.7
120.12730	0.3
122.03770	0.3
123.00919	0.6
124.01654	1.7
125.02456	11.8
125.99517	0.4
126.02803	0.7
137.02457	0.5
137.99608	10.5
138.03261	0.4
139.00385	13.3
149.99605	2.3
151.00301	0.6
151.04007	0.5
152.01147	1.7
153.01949	100.0
154.02739	12.9
155.03101	0.7
161.04610	0.6
166.02773	0.6
167.03500	5.3
168.00661	4.3
168.04292	47.3
169.05070	30.4
170.05415	2.0
179.03465	0.8
181.01494	0.5
191.03491	0.3
196.03754	0.6
209.04578	0.5
211.06090	1.5
221.04665	0.5
236.30658	0.3
273.62433	0.4
313.09268	0.5
355.06570	0.3
358.08997	0.5
368.96997	0.3
373.07745	7.2
373.11591	2.2
374.07999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65133	0.7
57.03458	0.8
58.00579	1.2
59.01385	25.3
61.98840	19.3
69.50301	1.5
69.50697	5.0
71.01382	12.0
72.99318	1.9
73.02958	0.8
83.01400	1.6
85.02952	4.3
87.00862	1.0
89.02456	12.8
95.01389	1.5
101.02453	8.8
108.02198	11.0
108.20205	0.7
110.00114	2.3
111.00884	1.5
113.02450	3.9
119.03525	5.9
121.02934	1.2
122.03733	1.4
123.00900	4.1
123.04521	4.6
124.01659	3.4
125.02464	2.0
133.02963	1.1
134.03763	1.0
135.04529	0.8
136.01685	2.1
137.02431	0.9
137.06058	1.6
137.99614	2.4
139.00388	3.2
140.78168	0.8
149.02451	2.2
150.03241	10.7
152.01151	1.3
153.01956	21.3
154.02655	2.3
165.05556	2.0
167.03505	2.6
168.04283	10.4
169.05086	5.2
172.40897	0.7
177.01906	2.1
178.02725	46.4
179.03096	2.8
189.05598	1.2
193.05074	100.0
194.05389	5.6
209.02953	0.8
210.04482	0.7
211.06148	0.9
323.54108	0.8
358.09583	1.0
360.84332	0.9
373.07935	1.2
373.11475	5.7
374.11639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.65382	5.2
69.65797	1.9
71.01384	5.1
73.02966	1.4
76.98841	1.0
80.22953	1.1
84.76609	1.0
85.02941	3.0
88.44758	0.9
91.01897	2.3
93.03448	3.8
98.20617	2.3
101.02466	2.0
109.02961	2.4
113.02448	3.1
119.01420	1.8
121.02975	6.0
122.50184	1.0
133.02945	1.7
135.04530	4.1
137.02417	4.6
144.81183	0.9
148.64650	1.2
151.04025	56.0
152.04410	2.6
153.02003	4.8
160.32527	1.0
161.04613	2.5
161.06100	1.1
168.04315	2.6
169.05087	1.2
179.03462	1.4
193.05038	1.9
202.36440	1.0
236.03279	1.3
241.05032	2.9
253.05182	2.2
268.07404	1.3
285.07916	1.2
285.11301	5.6
373.09357	3.2
373.18631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1691
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
56.60192	0.6
59.01383	2.4
61.98834	1.6
63.96247	50.1
64.97041	0.9
69.03448	0.7
71.58208	0.9
75.39282	0.7
79.95747	100.0
80.96519	14.0
96.96017	9.5
102.58493	0.6
119.98882	1.4
132.99669	5.3
151.04027	1.2
153.02065	0.6
171.10287	2.1
173.06438	3.9
179.03400	1.3
183.13918	22.4
184.14281	1.8
189.05940	9.9
194.05844	0.8
195.13850	3.5
201.11378	2.0
223.13400	1.2
227.65321	0.6
245.08615	3.7
247.10120	1.4
263.09576	4.6
275.20184	2.8
291.19650	4.3
293.17938	1.4
293.21252	28.4
294.21585	2.7
355.15747	5.7
373.16885	35.9
374.17105	4.6
395.74744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	1.5
67.67954	0.6
71.01389	7.6
73.02954	6.7
83.01406	1.2
85.02982	1.6
86.31030	0.6
89.02453	3.3
98.19852	1.2
101.02447	5.4
113.02463	3.8
119.03503	1.0
139.49904	0.6
161.04587	1.1
166.85318	0.6
202.83702	0.6
224.43958	0.6
233.98103	0.7
357.01431	0.6
357.33517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17052	0.5
57.08093	0.4
59.01387	100.0
60.01723	1.4
67.10432	0.5
69.64844	2.2
69.65254	0.9
71.01404	3.9
71.01759	0.6
71.30343	0.5
73.02968	1.6
79.09595	0.5
85.02964	1.2
89.02476	2.0
93.03465	0.6
101.02454	2.6
113.02508	1.0
119.03525	0.6
120.99744	0.6
132.04585	1.0
153.02003	0.7
161.04590	1.1
178.99109	0.5
210.57356	0.5
214.61008	0.5
229.53073	0.5
286.51169	0.5
341.11606	1.1
356.70230	0.5
373.14603	0.6
373.18991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01386	100.0
59.52274	0.5
60.01728	1.2
67.02322	0.4
69.53897	2.6
71.01393	5.1
73.02948	2.2
83.01412	0.7
85.02966	1.7
87.00878	0.6
89.02447	3.9
91.16300	0.4
93.32085	0.4
98.93058	0.4
101.02452	3.3
112.26970	0.4
113.02471	2.2
119.03519	1.7
119.05145	0.4
132.04567	2.6
138.03284	0.6
152.07205	0.6
161.04668	0.6
164.07179	0.6
165.41994	0.4
173.04732	0.5
179.22670	0.4
188.04301	0.4
221.96338	0.4
329.15381	0.5
351.52054	0.4
373.13898	0.6
373.18695	0.8
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	Rosiridoside C
Peak:m/z	Relative Intensity
54.19688	0.7
54.71206	0.7
54.71490	0.7
55.01876	1.0
57.03439	1.4
58.00600	3.5
58.58732	0.7
59.01385	100.0
60.01702	1.9
69.52646	4.4
71.01387	55.9
72.01735	0.8
72.99311	5.6
73.02944	1.8
83.01406	3.2
85.02962	11.9
87.00879	2.2
89.02452	67.7
90.02797	1.5
95.01400	3.1
98.20624	1.6
99.00856	1.2
101.02451	42.4
110.56349	0.7
113.02460	23.2
119.03516	34.8
130.76814	0.7
131.03516	2.8
140.27475	0.8
143.03508	2.7
144.05411	0.8
149.04573	1.6
161.04561	2.5
171.41275	0.7
179.05663	4.4
193.12350	9.2
211.13438	1.4
276.71106	0.8
373.18674	43.4
374.19028	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03453	1.6
58.00592	0.7
59.01386	100.0
60.01719	1.3
61.98842	0.5
69.23244	4.2
71.01388	20.7
71.05027	0.6
72.99314	1.4
73.02960	9.2
75.00896	0.6
81.07106	0.8
83.01388	2.6
85.02965	8.6
86.00117	1.0
87.00883	2.7
87.04539	0.8
89.02453	9.2
93.44522	0.4
95.01403	1.5
96.96035	0.6
97.02949	0.4
97.06604	1.6
99.00914	1.9
99.04529	0.5
101.02455	14.3
101.06097	0.4
102.02795	0.7
111.00949	0.5
113.02460	8.6
119.03516	4.5
120.99749	0.4
125.02478	0.8
131.03566	0.5
139.07686	0.8
143.03528	1.7
149.04623	0.6
159.03035	1.1
159.06639	1.1
161.04582	7.6
162.04900	0.4
163.04074	0.8
179.05614	1.9
191.03702	0.4
215.12852	0.7
227.05739	0.4
233.10291	0.9
249.09705	0.4
285.04037	0.4
313.16571	1.3
313.24167	0.5
315.21915	0.8
331.17691	3.9
373.09579	1.3
373.18579	3.3
373.26004	2.6
386.42151	0.5
386.90692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01884	1.0
57.03453	1.2
58.00592	0.8
59.01385	100.0
60.01727	1.4
63.76892	0.3
69.03447	0.3
69.25069	1.6
69.25496	1.2
71.01389	18.2
71.05049	0.3
72.99322	0.6
73.02953	7.3
75.00889	0.5
83.01394	3.3
85.02960	6.6
87.00908	0.6
87.04520	2.5
89.02452	9.1
95.01413	1.2
97.02966	0.5
99.00885	1.4
101.02454	13.0
101.21646	0.3
111.00774	0.3
113.02460	7.1
119.03518	4.1
125.02522	0.3
130.39032	0.3
131.03519	0.9
134.03772	0.4
135.04544	1.2
143.03491	1.0
151.11278	0.4
153.01932	0.3
155.03354	0.4
157.27275	0.3
159.03081	0.6
160.70889	0.3
161.04576	3.7
169.12370	0.7
171.10297	0.5
179.05655	1.3
193.05069	2.1
205.55482	0.3
227.83499	0.4
286.82297	0.3
331.17636	2.0
373.18692	0.7
393.29156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03449	0.7
58.00601	0.5
59.01387	100.0
60.01720	1.0
69.03472	0.4
69.37434	3.2
71.01390	15.9
72.99332	0.7
73.02963	6.3
75.00877	0.6
81.41928	0.3
83.01408	1.9
85.02963	7.1
86.00143	0.5
87.00893	2.0
89.02456	5.2
95.01428	1.4
97.02989	0.4
99.00918	1.6
101.02449	9.9
109.06599	0.7
113.02469	5.3
119.03535	2.1
119.05034	0.9
125.02493	0.8
125.09750	1.2
127.07659	3.6
129.65373	0.4
131.03534	2.8
139.07664	0.4
143.03552	1.3
145.02975	0.8
151.11351	0.9
159.03050	1.0
161.04567	6.5
163.04050	0.8
171.06656	2.1
171.10341	1.0
187.09889	1.0
201.11391	1.3
203.05659	0.9
211.13483	0.6
221.06699	6.1
269.54126	0.4
313.16687	0.6
331.17584	2.7
332.17993	0.6
373.13470	0.5
373.18436	1.1
373.26151	1.3
396.66690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57313	0.2
55.01884	0.9
57.03458	0.9
58.00604	0.7
59.01386	100.0
59.75737	0.2
60.01710	1.4
61.98838	0.5
66.09077	0.3
68.67636	0.3
69.03462	0.6
69.51737	0.7
69.52158	1.2
71.01390	14.2
72.01762	0.3
72.99317	0.9
73.02959	5.6
75.00871	0.4
75.94995	0.3
76.98847	0.3
78.31986	0.3
83.01385	2.2
83.05044	0.4
85.02966	5.8
86.00124	0.3
87.00879	2.5
89.02456	4.8
93.03471	0.4
95.01417	1.1
96.96011	0.3
97.02985	0.5
98.20621	0.4
99.00906	1.6
101.02456	10.7
102.02770	0.3
109.06629	0.7
113.02469	6.6
119.03540	1.4
119.05064	1.0
123.08235	0.5
125.02479	0.5
125.09732	1.9
127.07667	8.4
131.03505	3.0
139.07680	0.5
143.03500	0.6
144.03661	0.3
145.02960	0.7
151.11336	0.8
159.03032	1.0
161.04578	7.4
161.05875	0.4
163.04037	1.7
171.06665	3.3
171.10289	1.7
173.04657	0.4
179.05644	0.8
179.07153	0.5
179.76768	0.3
187.09764	1.8
201.11394	3.0
203.05675	1.1
221.06693	6.0
293.17746	0.6
311.18567	0.4
313.16623	0.3
331.17636	3.2
331.20642	0.3
331.71826	0.3
373.13269	0.8
373.18799	1.4
373.26172	0.6
374.26630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.6
59.01387	18.6
61.98832	1.2
70.85899	1.5
70.86240	1.1
71.01421	1.3
76.24869	0.9
82.84264	0.9
93.07086	1.4
97.06612	1.9
98.20662	1.0
104.63567	0.9
108.02293	0.9
112.41190	0.9
117.10168	1.0
121.10242	17.4
123.08189	2.3
125.09731	6.4
128.63051	1.0
139.11293	1.3
141.12828	1.2
147.08206	2.3
150.35321	0.9
153.94969	0.9
185.11865	13.1
191.06918	1.3
193.89536	1.1
197.11853	3.4
207.10046	4.2
209.11880	1.3
211.13350	2.1
216.66008	1.0
227.18065	1.3
243.17604	1.2
245.19107	10.1
250.08102	1.1
273.18625	1.9
276.93347	0.9
291.19687	70.3
292.20059	8.2
311.16226	1.4
313.17874	100.0
314.18250	11.7
358.56079	1.0
373.19736	1.3
373.24023	1.3
375.12888	1.0
391.21301	1.1
395.19629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90401	7.6
55.91674	7.7
59.01392	100.0
76.70395	7.6
88.37128	6.6
92.50461	7.8
105.41074	7.4
106.16178	7.6
121.02927	9.4
151.04005	11.1
235.09616	9.2
235.25565	7.7
262.73007	7.7
373.27533	8.5
374.04404	9.7
375.05664	8.9
391.04861	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	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03440	2.1
59.01110	0.7
59.01389	11.3
60.90967	0.5
61.98821	0.6
71.01401	1.4
71.05009	0.6
71.55896	0.6
85.02943	0.9
89.02444	0.7
91.12444	0.6
96.96003	0.8
97.06583	1.9
111.04545	0.9
111.08176	0.9
113.09711	0.6
121.03042	0.6
123.08153	3.9
124.01726	0.6
125.09683	0.6
127.11282	0.7
133.02916	0.9
135.04491	1.0
139.11293	1.5
141.09227	1.1
150.27963	0.5
151.04045	0.9
152.01181	0.8
157.12392	0.7
179.03433	0.5
185.11855	13.7
186.12128	0.7
200.00920	1.3
201.96005	0.6
214.12115	1.3
215.12923	1.8
277.21832	0.7
292.22794	0.6
295.22610	0.7
299.02121	0.8
327.21884	0.6
343.25037	1.2
355.25061	0.7
363.55334	0.6
371.24457	1.7
373.12985	2.1
373.25970	100.0
374.26312	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	374.1321
Annotation	ZM323881
Peak:m/z	Relative Intensity
51.04985	2.0
62.89067	1.9
64.93187	1.7
70.79005	3.6
72.16719	1.9
80.96532	3.5
99.92592	79.3
100.92602	4.8
104.06007	2.0
115.92092	18.3
116.92886	14.8
118.89989	61.3
119.90034	5.1
134.89459	8.9
135.90283	25.9
150.88994	3.3
153.61519	1.7
158.22432	1.9
180.04205	3.0
181.18669	1.9
235.09769	15.9
236.10536	3.3
249.11273	6.6
256.23419	2.0
338.15628	26.5
374.13263	100.0
375.13403	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.77476	6.8
61.98844	58.8
65.56622	7.5
69.73374	20.7
69.73786	30.6
79.73218	7.8
91.09323	9.5
96.96033	36.5
101.00874	9.2
141.57631	9.0
174.99245	24.5
217.00331	70.8
228.46927	7.9
374.24316	11.7
374.99271	10.3
375.18311	22.5
375.25360	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	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85086	0.3
59.01383	3.1
61.98808	0.6
69.18549	2.8
69.18893	0.3
70.44817	0.2
73.05315	0.3
75.31461	0.3
101.06091	1.4
111.95616	0.2
124.07642	0.4
174.99228	0.7
213.17656	0.3
217.00320	2.9
232.10919	10.4
233.11307	1.0
265.18430	0.3
272.17813	0.3
289.17938	1.6
290.18741	3.4
316.16623	1.5
317.17078	0.3
330.21701	0.4
358.21436	0.9
374.24487	100.0
375.06836	0.4
375.24847	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	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44222	0.5
53.99002	0.7
54.94922	0.5
59.01387	7.7
60.85554	0.5
61.98839	0.8
70.58147	1.8
71.01393	12.1
71.01775	0.7
75.20879	0.5
76.47545	0.7
80.91690	0.6
96.96045	0.8
99.92633	0.5
101.02498	0.7
113.88284	0.6
117.66283	0.6
122.40414	0.5
127.07661	1.3
148.05351	0.7
151.07707	0.9
161.65421	0.7
164.08453	1.2
174.99213	2.7
177.09207	4.2
190.10051	0.9
192.11560	7.5
192.99142	0.6
201.01685	0.8
205.12372	3.3
205.59267	0.6
207.13948	2.0
217.00317	9.0
218.09499	2.5
220.14714	40.3
221.15482	100.0
222.15797	7.8
223.64766	0.5
235.13414	1.6
236.10559	92.1
237.10982	8.0
264.08682	0.9
275.16541	0.7
293.17627	39.6
294.17984	4.5
318.09525	5.5
320.37946	0.7
321.15625	1.3
335.13586	0.8
364.99750	0.6
375.06961	0.8
375.17923	8.2
375.21683	1.0
375.25604	1.6
376.17984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23144	0.6
53.53010	0.6
61.08128	0.5
62.07651	0.6
62.24439	0.7
70.30658	2.2
74.99099	1.7
80.61390	1.0
100.86566	0.6
106.38017	0.7
143.05356	0.9
159.08469	8.0
161.06409	1.8
192.98064	0.8
209.01271	2.3
215.42482	0.8
217.07236	1.7
235.23709	0.8
277.07568	2.3
289.07602	1.3
291.09128	95.3
292.09238	13.8
309.10135	1.5
357.13763	2.1
359.15369	100.0
360.15500	18.7
375.18491	7.6
376.18661	1.4
377.15948	0.8
396.12790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83294	0.7
55.00200	0.8
60.02913	0.6
68.05140	0.6
69.54426	1.2
69.54813	4.4
72.57293	0.6
74.99094	2.2
80.61361	0.7
96.96007	0.7
115.35411	0.6
142.73338	0.7
143.05388	0.7
159.08502	11.9
161.06404	2.1
209.01263	2.0
217.07185	1.3
275.06046	1.2
277.07465	2.0
289.07590	1.5
291.09140	97.6
292.09247	13.5
357.13782	1.8
359.15393	100.0
360.15558	16.8
375.07474	0.7
375.18536	6.2
375.29004	1.4
376.18823	1.2
389.04965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01384	17.5
59.98004	1.0
74.17455	1.2
75.00885	3.2
77.58871	1.3
84.06704	1.2
97.93149	1.7
98.90704	1.8
114.93399	1.7
125.06079	1.8
132.40135	1.1
143.38106	1.0
169.66846	1.1
197.08221	3.2
209.04573	1.7
213.73611	1.1
245.11790	2.6
277.21756	100.0
278.22079	11.8
288.13766	1.7
315.19589	1.1
357.20822	3.6
375.14835	1.4
375.21793	20.0
376.22049	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21117	0.7
55.01865	1.3
58.00596	1.7
59.01388	51.5
69.40227	6.1
71.01392	23.9
72.99335	2.0
73.02951	0.8
79.93562	0.7
83.01389	2.0
85.02966	5.3
87.00861	0.8
89.02456	20.4
95.01406	3.0
99.00915	0.8
101.02461	12.6
113.02470	8.1
119.03513	6.7
128.97136	0.7
148.58662	0.7
183.13997	1.1
195.13902	8.9
213.14931	3.7
238.74323	0.7
375.20267	100.0
376.20651	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.7
62.40845	1.0
66.18526	1.1
68.25888	1.1
69.37328	1.2
69.86724	2.0
69.86991	6.3
93.03458	1.6
95.03785	1.3
95.05035	33.5
96.05394	1.3
98.20564	1.7
101.65440	1.2
111.26124	1.2
115.99928	1.1
179.14397	1.8
195.13881	8.7
205.12140	1.8
217.00313	2.1
223.13412	8.1
246.12332	10.8
256.13156	1.7
275.20105	6.4
276.20932	1.4
278.11365	77.4
279.11710	6.3
293.21249	100.0
294.18530	1.7
294.21527	11.5
296.23550	1.5
315.19455	17.4
338.12161	8.6
350.24911	1.3
375.21487	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	47.2
67.98527	1.6
70.85061	2.3
70.85371	2.8
93.33916	1.8
95.04985	3.6
98.20693	2.1
99.72566	1.6
109.06662	1.8
121.10252	24.6
122.10600	2.2
149.09723	1.8
171.10287	71.9
172.10596	3.3
180.29710	1.6
185.11801	2.6
207.10097	2.1
231.21118	6.2
237.79428	1.7
275.20175	100.0
276.20621	12.0
278.11349	12.5
293.21255	84.9
294.21545	12.9
297.18460	2.9
315.19427	47.5
316.19827	7.3
353.40994	1.8
359.18442	4.7
375.21317	29.7
375.29236	4.2
376.21301	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41739	1.7
53.30562	1.4
57.03450	2.4
59.01384	55.1
61.73383	1.5
71.05032	4.5
71.55327	2.2
73.49460	1.4
94.61258	1.8
96.96021	1.9
102.77573	1.6
113.47537	1.4
122.02665	1.6
138.01880	1.6
141.74800	1.6
161.02449	1.7
164.03639	1.5
174.99170	2.0
202.78212	1.5
217.00320	8.7
223.17075	4.6
225.00876	1.7
235.17055	32.9
236.17418	2.3
275.20163	34.9
276.20508	3.8
293.21255	100.0
294.21576	12.5
359.01239	6.8
360.99435	1.8
375.21545	31.5
375.25577	3.7
376.21844	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01387	16.1
63.79935	0.5
66.36626	0.6
70.58081	1.8
71.01419	0.7
84.90452	0.7
97.06605	1.0
110.46671	0.6
123.08092	0.8
125.09741	4.8
141.12836	2.3
149.09706	1.9
170.85619	0.6
175.07362	0.6
183.18460	0.6
185.11855	12.1
191.06891	0.7
192.24153	0.6
197.11865	2.7
209.08076	0.8
247.20682	1.2
249.22203	1.1
257.66620	0.6
275.20239	0.9
293.21268	100.0
294.18591	1.2
294.21613	11.9
315.19434	35.1
316.19827	3.5
318.82611	0.8
347.96686	0.7
375.21448	4.8
375.25592	1.1
376.21490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17720	9.1
54.30871	9.8
54.69343	11.0
59.01389	100.0
62.38154	9.9
71.80910	12.0
112.16257	10.7
180.33604	10.9
188.91023	11.1
228.83226	12.3
277.21854	15.0
375.06750	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	377.1426
Annotation	Abafungin
Peak:m/z	Relative Intensity
52.46367	0.6
57.50193	0.5
59.01378	1.7
61.98829	2.7
69.63061	3.1
72.50166	0.6
86.95448	0.6
88.35787	0.5
96.96032	2.4
98.20629	1.0
99.92596	81.8
100.92601	5.0
100.93384	1.7
115.92091	43.1
116.92873	100.0
117.92905	5.8
117.93659	0.9
124.20221	0.5
127.95670	0.6
131.91586	0.8
140.23512	0.6
146.40242	0.6
178.06563	0.6
218.68968	0.6
232.83336	0.6
241.21768	2.4
277.21741	2.5
279.22217	0.9
283.30658	0.7
299.05850	0.6
308.07321	1.7
312.35623	0.6
316.95416	0.6
329.11847	0.7
333.15344	0.7
359.13101	1.9
369.38550	0.6
373.11237	2.8
374.11792	0.9
377.14297	43.7
377.22491	1.4
378.14536	8.3
391.12216	4.9
392.12384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	Abafungin
Peak:m/z	Relative Intensity
57.03444	5.7
58.29784	1.7
59.01386	45.4
62.11359	1.5
66.31161	1.6
67.01894	2.8
68.99821	2.9
69.21381	17.5
71.01012	2.3
71.01390	44.6
71.02483	1.8
72.99318	12.3
73.02946	5.8
75.00879	39.4
83.01396	4.1
85.02956	45.4
87.00892	17.3
89.02451	17.5
93.03456	2.0
95.01389	13.8
99.00886	21.5
100.01160	1.7
101.02444	5.2
103.00395	4.1
109.02949	3.2
109.06605	2.1
111.00906	2.4
113.02464	57.8
114.02791	3.1
114.99542	1.4
115.00372	3.8
117.01910	7.0
119.03550	3.3
127.07662	48.6
127.49653	2.2
129.01961	4.3
135.04543	2.3
137.02486	2.3
139.00398	1.5
157.01503	1.8
161.04590	2.5
175.02469	5.4
179.03395	2.4
179.05649	1.8
191.05614	2.4
205.07191	4.4
209.11871	3.1
231.05190	3.3
249.06154	46.6
250.06439	3.1
267.07227	99.5
268.07526	5.6
335.17239	2.7
341.10947	6.1
347.11337	4.6
359.13599	3.3
377.09238	3.4
377.14481	100.0
378.14880	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	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.5
57.03436	4.8
58.00598	4.1
58.35630	1.5
59.01386	99.7
61.98835	3.3
66.57291	1.5
67.01877	1.5
69.03461	2.2
71.01391	76.6
72.99306	5.6
73.02954	17.4
73.73972	1.4
74.02515	1.9
75.00890	4.6
82.99624	10.0
83.01386	14.9
83.05038	100.0
84.05336	2.3
85.02962	36.2
86.00121	1.8
87.00893	10.7
87.04467	1.6
89.02460	44.8
93.03444	5.0
95.01399	3.2
95.05034	5.8
96.96011	1.6
97.02965	3.6
97.06614	3.0
99.00886	20.3
99.04505	2.1
101.02457	69.5
102.02851	1.9
107.05041	4.5
109.02974	2.0
111.00896	21.3
111.04522	2.2
112.46348	1.9
113.02454	28.7
113.99635	1.8
119.03515	37.3
121.06602	3.2
123.04556	15.9
123.08186	1.9
124.04855	1.7
125.02473	3.5
125.06087	6.4
126.98602	6.3
128.03426	1.9
129.01918	2.5
131.03467	7.4
134.03723	1.8
135.04552	10.5
137.06039	2.2
139.00406	1.7
139.07693	2.6
143.03500	3.7
147.98477	1.6
149.04559	4.7
149.06085	17.1
151.04106	1.5
153.05525	2.0
153.09258	11.4
155.07138	2.8
159.03059	2.3
159.04404	1.9
161.04605	14.7
167.01709	1.5
167.07176	12.4
173.00961	3.2
173.04590	4.9
174.05511	1.7
175.06190	1.7
178.04889	2.8
179.03455	3.5
179.05620	2.4
180.06670	1.7
191.05682	10.8
193.05072	2.6
197.08223	3.4
200.05779	1.5
215.12862	2.2
217.62854	1.5
227.06670	1.8
231.05174	2.3
245.10307	43.7
246.10692	3.2
249.06134	9.5
257.11581	3.6
315.12772	2.2
333.15280	1.9
341.11172	7.6
347.11069	2.6
371.92490	1.9
377.08777	5.5
377.14389	30.5
377.18283	2.7
377.22037	3.3
378.14569	4.2
378.21613	2.8
401.10770	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	377.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64563	5.4
53.17787	5.4
59.01381	14.7
61.98816	10.0
63.83075	5.1
64.71132	5.5
71.01363	7.1
79.95750	11.8
81.95322	10.7
86.07624	5.3
96.95999	12.3
97.06564	8.3
98.19846	10.2
139.54881	6.3
163.66685	5.3
166.71864	5.2
171.10225	14.1
189.17128	6.2
225.14993	10.6
261.74066	6.7
295.22748	6.1
333.24359	14.4
341.23370	100.0
342.23587	16.2
377.23679	35.4
378.23352	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	377.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03450	1.5
57.60550	0.3
58.00605	0.9
59.01387	100.0
59.47118	0.3
60.01729	1.4
65.61562	0.3
67.11292	0.3
69.03450	0.3
70.98827	0.7
71.01392	19.7
71.05036	0.6
72.01716	0.4
72.99315	0.7
73.02959	5.5
75.00900	0.3
83.01397	2.4
85.02961	8.5
85.03454	0.4
87.00890	0.6
89.02458	6.0
95.01392	1.7
97.02985	0.5
99.00881	2.0
101.02454	14.1
102.02830	0.4
113.02470	7.9
119.03494	2.4
125.02488	0.8
127.11306	0.5
129.01981	0.4
143.03545	1.1
149.04730	0.3
159.03040	1.6
161.04573	9.2
161.05887	0.6
162.04950	0.4
173.15485	1.8
222.31790	0.3
317.19766	0.7
335.20779	18.8
336.21207	2.1
341.11246	0.9
341.19952	0.4
358.97726	0.4
377.08920	0.6
377.23309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11000	0.3
55.01884	1.5
57.03451	1.2
58.00601	0.8
59.01385	100.0
60.01717	1.6
69.03452	0.4
70.31509	1.3
71.01389	20.3
71.05038	0.4
72.99324	1.0
73.02951	5.7
75.00894	0.3
83.01402	3.3
85.02962	9.0
87.00908	1.0
89.02454	5.0
95.01414	1.5
96.96030	0.4
99.00890	2.5
101.02455	15.4
113.02463	8.3
119.03536	1.3
119.54259	0.3
125.02499	0.5
127.11333	0.7
129.02043	0.3
143.03539	1.0
159.03076	1.3
161.04576	8.5
161.05876	0.6
162.04912	0.4
163.61340	0.3
173.15524	1.6
179.05602	0.5
205.03677	0.4
215.03331	0.4
215.16689	0.5
257.87943	0.3
317.19724	0.7
335.20770	17.4
336.21085	1.8
341.10950	1.4
377.08533	0.9
377.22406	0.9
377.28574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46426	0.9
57.03447	0.9
57.95280	0.7
59.01386	21.9
69.21792	6.8
87.52723	0.8
95.05047	1.4
95.13036	0.8
96.25076	0.9
99.08205	0.9
99.68308	0.9
125.09750	1.7
141.12874	1.0
151.11310	0.9
171.10287	32.8
172.10663	2.1
173.80846	0.8
185.11995	1.0
187.47646	0.8
191.06883	1.1
201.29514	0.9
249.22249	1.6
253.38875	1.0
261.28177	0.8
273.57861	0.9
277.21744	42.4
278.22067	4.7
295.22809	100.0
296.23169	12.7
317.20990	35.3
318.21378	3.6
333.23138	1.4
335.20905	1.2
343.61850	0.7
352.98657	0.8
361.19962	3.8
377.22900	20.9
377.27237	2.1
378.23090	3.8
391.07208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2701
Annotation	Epiplakinic acid F
Peak:m/z	Relative Intensity
59.01343	1.1
63.44635	0.4
69.79614	0.4
70.54218	1.2
92.02431	0.4
96.96004	0.6
99.00813	0.4
134.27293	0.4
136.29483	0.5
264.11996	0.4
269.84561	0.5
315.26938	1.9
333.28012	59.6
334.28412	9.0
346.98477	0.5
359.25940	7.6
360.26254	0.9
377.27008	100.0
378.27341	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	378.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98837	100.0
62.45427	0.4
71.44819	0.3
71.55895	0.4
88.30905	0.3
89.87582	0.3
96.96021	2.5
112.26282	0.3
134.22881	0.3
153.02051	0.4
164.28358	0.3
170.06761	0.3
298.64587	0.4
299.25885	0.5
300.23352	0.3
361.11710	0.4
378.18906	5.6
378.23767	0.9
379.21667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92272	0.4
59.01366	1.0
61.98838	100.0
71.56562	0.8
82.08123	0.4
96.96024	4.3
116.86758	0.5
132.99266	0.4
174.33539	0.5
199.86450	0.5
293.21387	0.6
299.26013	0.5
304.04742	0.6
341.09650	1.1
378.19116	3.4
379.21216	1.3
379.25381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24094	1.2
55.04562	1.0
59.00102	1.0
59.01381	1.5
61.98833	3.1
69.33446	9.4
73.19175	1.0
74.85258	1.2
78.51485	1.0
79.01235	1.0
96.96018	2.7
99.92594	77.5
100.92608	4.2
100.93333	1.8
115.92092	36.8
115.92920	1.9
116.92179	3.8
116.92872	100.0
117.92913	5.6
123.87732	1.0
144.15598	1.0
151.40897	1.0
186.97900	1.1
196.72211	1.1
219.80003	1.1
279.23248	3.6
335.16785	1.7
347.26074	3.9
375.12665	2.1
378.61435	1.3
379.15845	62.6
379.28546	46.5
380.15942	10.9
380.28937	6.8
393.13681	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03456	0.7
58.00602	3.7
59.01386	89.1
60.01719	0.9
69.03467	1.0
69.26465	5.8
70.09219	0.7
71.01389	57.1
72.01744	1.0
72.99305	3.8
73.02956	16.5
83.01402	2.5
85.02956	10.3
87.00896	2.8
88.69022	0.7
89.02455	100.0
90.02787	1.7
91.51899	0.6
92.75754	0.6
93.03470	0.7
95.01389	3.0
97.02985	1.4
99.00895	18.8
101.02456	37.0
101.58854	0.7
102.02824	0.9
104.68684	0.6
113.02461	18.4
115.04020	1.1
119.03524	17.6
125.02472	4.8
131.03529	15.4
143.03519	4.6
143.55437	0.6
149.04572	42.5
150.04901	0.8
157.42033	0.7
161.04594	5.3
179.05634	11.7
191.05638	9.9
192.06021	0.6
221.06715	1.2
233.06723	1.6
247.11916	5.0
250.19322	0.6
251.07758	2.4
319.08414	0.7
352.27121	0.7
379.16104	31.3
379.23199	3.8
380.16458	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01891	2.2
57.03452	2.8
58.00603	4.5
58.97699	0.6
59.01384	100.0
59.11259	0.6
59.77670	0.7
59.79331	0.6
59.91452	0.7
60.01725	1.1
61.80568	0.7
67.61953	0.8
69.58772	1.3
69.59181	4.6
71.01389	84.8
72.01737	0.8
72.99310	3.7
73.02953	12.1
83.01395	6.8
85.02959	20.5
87.00887	4.0
89.02453	97.5
90.02791	1.5
95.01391	5.6
97.02981	1.6
98.20612	1.4
99.00870	4.2
101.02452	46.2
102.02788	1.4
103.27801	0.7
113.02454	30.0
119.03515	25.2
120.03844	0.8
125.02460	2.0
126.34181	0.8
131.03535	12.9
143.03516	7.2
149.04573	22.9
155.10846	0.7
159.03012	1.9
161.04567	17.0
162.63454	0.7
173.04619	0.9
179.05634	23.0
180.05927	1.0
188.14520	0.8
191.05635	5.1
233.06570	1.4
247.11887	29.0
248.12091	2.8
252.52531	0.7
298.07410	0.9
319.13849	0.9
379.11591	1.3
379.16092	10.4
379.23346	5.1
380.16306	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28878	0.8
57.03455	2.9
58.00594	1.1
59.01105	1.3
59.01386	18.4
68.99812	1.1
69.03481	1.0
69.58366	3.9
71.01394	15.3
72.99319	4.6
73.02954	1.2
74.36185	0.7
75.00880	16.2
83.01397	1.1
85.02955	17.6
87.00883	7.5
89.02445	5.0
93.03451	0.9
95.01416	4.8
96.96024	2.4
99.00891	8.9
100.34738	0.8
101.02463	2.2
101.13198	0.8
103.00391	1.5
111.00889	1.5
111.60062	0.7
113.02465	23.7
115.00387	2.3
117.01974	3.6
119.03521	0.9
122.61418	0.9
129.01917	1.8
129.09233	100.0
129.30678	0.7
130.09560	4.0
131.03499	0.7
135.04530	1.0
141.18462	0.7
161.04607	0.8
173.04652	0.8
175.02490	3.2
189.03978	0.9
205.07204	1.3
231.05127	2.6
245.66261	0.9
249.06183	20.3
250.06467	1.0
267.07349	3.7
319.14023	1.6
341.10907	2.1
361.14902	2.5
379.16122	65.7
380.16367	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	379.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10495	11.0
59.01378	53.4
61.98838	19.3
69.95138	50.4
71.01405	14.8
96.96017	69.7
99.08179	13.2
125.09706	19.6
135.08199	14.6
139.45662	13.5
154.61491	10.3
171.10349	22.3
172.85048	11.8
199.09857	14.7
201.11505	13.2
204.61252	10.1
287.16443	12.3
291.58560	11.2
305.17523	41.1
343.24911	100.0
344.25204	14.9
359.03076	12.7
379.21259	38.2
379.25360	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	379.2492
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
51.99921	1.3
57.03449	4.3
59.01389	7.7
61.98838	2.3
69.03469	2.5
69.91143	6.8
71.01398	1.5
71.05025	2.4
79.95763	1.4
96.96008	6.3
98.20061	1.8
113.02495	2.5
115.03999	2.6
135.08168	1.3
176.92125	1.3
209.11955	1.7
259.20618	5.4
273.22253	18.9
274.22589	1.7
275.23868	3.1
287.16574	3.3
301.21802	2.2
302.22321	1.6
305.17578	7.7
317.24890	43.3
318.25369	6.4
335.25919	17.5
336.26279	2.1
361.23865	3.7
379.24936	100.0
380.25186	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	379.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26580	16.9
69.60664	100.0
78.79404	18.1
96.96045	20.8
113.08300	14.3
180.68851	19.7
368.49347	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	380.0676
Annotation	Metsulfuron-methyl
Peak:m/z	Relative Intensity
55.03022	1.2
55.03238	0.2
59.01381	1.0
61.98830	0.3
65.01457	0.8
66.00972	1.6
68.56055	0.3
69.79897	0.4
69.80303	1.0
71.01378	0.5
77.21780	0.2
78.05788	0.3
79.95733	0.2
81.03319	0.3
82.04111	2.7
96.96007	0.6
101.02438	0.4
107.03642	5.0
109.05222	0.8
124.03895	0.8
135.04568	0.6
139.06270	100.0
140.06734	2.1
148.07639	0.4
173.04602	0.3
181.99203	3.9
234.57275	0.3
310.56750	0.3
335.25922	6.2
336.26263	3.4
379.20050	0.5
379.24890	9.2
380.25247	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	380.1564
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.81308	0.7
57.03456	0.9
58.00603	0.7
59.01107	1.1
59.01388	17.9
66.38734	0.6
69.64680	2.6
69.65095	1.9
71.01391	35.0
71.05027	8.5
73.02934	1.1
83.01389	1.0
85.02964	2.6
87.00874	0.9
88.04048	4.8
89.02455	9.2
95.01433	0.9
99.04539	2.3
101.02459	7.8
113.02464	4.5
114.39196	0.7
119.03516	2.2
128.07169	3.2
129.05606	1.3
134.75403	0.6
135.08838	0.6
146.08247	58.5
147.08597	2.2
159.83472	0.7
161.04547	1.4
177.50906	0.7
200.09241	0.9
212.07773	0.8
308.13547	5.4
362.14670	1.8
380.15631	100.0
381.16010	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	380.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01738	1.2
71.03323	0.8
71.03677	1.4
238.86574	0.8
283.30466	0.8
301.90109	0.9
320.25992	0.9
336.58014	0.9
367.20850	0.8
380.63742	0.8
381.26370	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	381.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74451	0.1
59.01387	3.3
60.01707	0.2
61.69251	0.2
70.71056	0.4
70.71400	0.3
71.01394	1.4
73.02960	0.3
78.58299	0.2
80.46411	0.2
81.03472	0.5
83.33129	0.2
85.02525	0.2
85.02946	0.8
89.02454	0.4
89.03976	2.2
93.03434	0.4
101.02454	0.7
104.02701	0.5
105.03465	3.7
106.03860	0.2
113.02465	0.4
121.02953	0.4
129.01935	0.6
129.67581	0.2
133.02969	9.1
134.03288	0.5
135.04546	0.6
143.06160	0.7
146.02519	0.2
148.01689	0.8
149.02438	1.0
161.04594	0.3
161.07214	2.5
173.92113	0.2
176.00977	1.5
176.02527	1.0
177.01947	100.0
178.02278	5.7
204.07797	2.2
230.09363	0.8
249.13493	0.9
272.10403	0.3
321.05777	0.2
338.13477	1.5
381.08334	6.7
381.17221	0.3
382.08737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74451	0.1
59.01387	3.3
60.01707	0.2
61.69251	0.2
70.71056	0.4
70.71400	0.3
71.01394	1.4
73.02960	0.3
78.58299	0.2
80.46411	0.2
81.03472	0.5
83.33129	0.2
85.02525	0.2
85.02946	0.8
89.02454	0.4
89.03976	2.2
93.03434	0.4
101.02454	0.7
104.02701	0.5
105.03465	3.7
106.03860	0.2
113.02465	0.4
121.02953	0.4
129.01935	0.6
129.67581	0.2
133.02969	9.1
134.03288	0.5
135.04546	0.6
143.06160	0.7
146.02519	0.2
148.01689	0.8
149.02438	1.0
161.04594	0.3
161.07214	2.5
173.92113	0.2
176.00977	1.5
176.02527	1.0
177.01947	100.0
178.02278	5.7
204.07797	2.2
230.09363	0.8
249.13493	0.9
272.10403	0.3
321.05777	0.2
338.13477	1.5
381.08334	6.7
381.17221	0.3
382.08737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
62.10708	0.2
62.16993	0.2
68.47102	0.2
69.22849	2.2
90.61149	0.3
97.16843	0.2
100.61944	0.2
109.00354	0.3
118.02956	0.3
131.03860	0.6
146.02490	64.9
147.02835	3.0
148.04060	0.5
160.02788	0.5
160.04016	0.3
176.02278	100.0
177.03050	49.1
178.03421	2.0
191.04562	1.7
212.03395	0.2
219.04146	2.2
231.04102	0.5
249.05168	0.6
249.13345	0.3
289.86441	0.2
321.07364	0.4
339.08322	1.5
339.85309	0.2
359.68408	0.2
381.09387	64.6
382.09723	7.4
382.14609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.74234	5.7
61.98841	29.8
71.01392	64.1
71.54270	7.1
72.00912	12.6
72.99319	10.6
73.02963	7.1
74.02489	7.2
78.95893	8.6
82.04487	7.1
85.02958	24.3
87.00874	21.6
89.02463	68.0
91.99291	6.3
96.96018	9.3
96.96976	8.0
97.06556	9.0
99.04639	6.1
101.02469	40.1
113.02441	29.5
119.03503	23.9
119.05008	19.9
130.08778	11.0
132.04575	17.6
135.04562	16.1
143.03534	9.6
146.08209	11.6
147.04555	24.6
158.06104	13.1
161.04564	13.8
163.03983	10.7
173.04677	7.1
175.08839	7.4
177.01938	7.7
179.05600	41.0
181.07735	20.6
189.02048	7.0
190.22623	6.1
191.05656	12.3
199.08821	7.3
201.05530	7.3
219.07828	39.1
261.08789	20.1
321.11957	11.8
327.10843	17.1
338.55869	6.7
343.11295	23.4
381.08896	26.4
381.13577	9.0
381.17038	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19753	1.2
58.00599	1.5
58.16518	1.0
59.01385	19.2
61.98840	25.7
70.39166	1.4
71.01389	10.6
71.26000	1.2
71.56647	2.0
72.00929	3.0
72.99303	2.1
73.02950	1.5
79.57684	1.2
82.02982	1.3
85.02945	3.3
85.27032	1.1
87.00890	2.2
89.02448	5.8
92.05068	2.2
100.04041	2.6
101.02460	4.9
113.02470	3.7
116.05059	2.8
119.03484	3.3
130.06635	1.3
131.03764	3.5
132.04591	8.5
134.03824	2.4
134.06082	1.2
135.04506	6.6
141.86000	1.2
142.06638	2.9
143.06119	1.6
144.04587	9.6
146.08224	2.7
154.06670	1.5
156.06931	6.4
157.07703	7.3
158.06110	4.8
159.03035	1.3
159.05643	2.0
160.04074	11.1
161.04599	2.4
165.05560	1.4
167.06172	12.6
168.06505	1.6
169.07773	5.7
170.06099	3.3
171.09294	8.7
172.03938	1.4
173.04802	1.6
173.07208	11.1
174.07623	1.5
180.06938	1.8
181.07730	69.4
182.06232	2.8
182.08025	4.7
187.08852	2.7
188.05856	1.6
191.05678	1.6
195.06638	3.1
197.07184	5.5
199.08791	39.5
200.09114	4.3
201.06758	4.1
213.06712	1.4
217.09784	5.0
219.07709	2.2
226.05116	4.0
243.07785	29.7
244.08119	2.6
261.08817	100.0
262.09171	8.8
273.08832	2.3
291.09537	1.2
321.12018	2.1
343.11218	7.4
363.11951	4.4
364.12671	1.3
381.08640	5.3
381.13144	14.7
381.17300	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	381.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65586	0.8
58.35240	0.8
59.01389	5.4
61.98840	10.2
66.15614	0.9
71.01402	3.0
71.33151	1.3
72.00909	1.7
72.04549	1.0
85.03009	1.3
89.02468	2.0
92.05070	1.7
92.32213	0.9
100.04061	1.2
101.02460	2.3
106.48416	1.0
116.05063	4.6
128.05096	1.6
131.03760	2.2
132.04546	7.8
135.04543	2.6
142.06651	2.2
143.06221	1.6
144.04576	6.9
155.06140	1.5
156.06934	6.9
157.07703	6.5
158.04900	1.7
158.06129	3.4
159.05675	2.5
160.04085	9.4
167.06142	13.9
169.07732	4.3
170.06131	2.4
171.09319	9.0
172.04044	1.2
172.07658	1.0
173.07208	10.4
176.07201	1.1
180.06804	1.5
181.07735	56.7
182.06155	2.2
182.08043	3.5
187.08777	2.4
188.05930	2.4
197.07243	3.9
199.08783	37.5
200.09087	2.6
201.06761	4.9
213.06776	1.1
217.09846	3.4
226.05125	4.4
230.03047	1.0
243.07755	25.1
244.08211	1.4
261.08813	100.0
262.09180	10.3
273.08865	2.6
291.09937	2.1
319.13110	1.3
343.11386	1.1
363.12027	5.7
381.08292	2.0
381.12955	15.3
381.17313	1.5
382.13422	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	381.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98637	1.2
59.01390	4.1
59.96718	2.6
61.98846	3.3
66.62038	1.2
74.99081	23.1
75.96215	2.5
89.24165	1.5
91.02221	34.4
93.00143	12.7
96.40444	1.3
105.56771	1.4
159.08478	100.0
160.08731	4.1
161.06390	10.9
306.49185	1.5
370.24274	1.5
381.29895	2.7
397.96539	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	381.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
57.03455	2.9
58.00605	1.2
59.01384	31.1
67.58723	0.3
68.99851	0.3
69.03468	0.8
71.01389	34.8
72.01725	0.6
72.99334	1.4
73.02956	18.1
73.45326	0.4
74.03301	0.6
75.00893	1.3
83.01396	10.2
84.01705	0.4
85.02961	20.8
85.06624	0.6
86.00122	1.1
86.03317	0.4
87.00862	2.2
87.08183	0.6
89.02451	5.9
95.01400	2.4
96.96033	0.5
97.02953	1.8
99.00888	7.3
101.02454	40.2
102.02825	1.3
111.00890	1.0
113.02460	16.0
115.03992	0.5
119.03596	0.4
125.02434	1.7
129.01964	1.3
131.03505	0.9
143.03522	1.8
146.02496	0.5
149.04559	0.6
157.08781	0.4
159.03024	3.3
161.04575	17.3
162.04932	0.5
162.89894	0.3
173.04558	0.3
176.02281	1.3
176.03577	0.4
177.01823	0.5
177.03111	0.4
191.05602	0.4
205.03508	0.6
233.06757	0.7
243.63361	0.4
249.13448	100.0
250.13788	7.5
279.14529	0.4
293.12399	0.7
322.04507	0.3
363.05103	0.4
363.16766	0.4
371.19046	0.3
373.52960	0.4
381.17651	19.5
382.18054	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06861	0.7
54.38375	0.8
55.01872	0.9
57.03447	1.5
59.01386	100.0
60.01724	1.6
61.98847	1.4
62.64712	0.7
68.99806	0.8
69.77831	3.1
69.78247	1.3
71.01398	9.5
72.99320	5.4
73.02974	1.0
75.00880	6.7
79.72549	0.7
81.03489	0.9
83.01416	1.9
83.05046	1.5
85.02966	5.5
85.06614	0.9
87.00890	5.8
89.02469	4.5
89.03983	0.7
93.03488	3.0
95.01426	1.1
95.05037	0.7
96.96053	1.3
97.02995	0.8
98.20021	0.8
99.00919	1.2
101.02468	5.3
105.03479	0.8
107.05043	0.9
108.02223	1.0
109.02935	0.9
111.00938	1.7
111.04523	1.5
113.02462	3.4
115.05592	1.5
119.03542	2.0
119.05041	0.8
121.02977	2.8
123.04552	0.8
125.02492	1.3
127.04002	0.7
129.01968	5.0
130.06671	2.4
131.07144	6.2
132.04547	7.3
132.07455	1.2
133.02957	4.0
134.03745	2.9
135.04541	5.6
143.03513	0.8
145.02975	0.8
148.01711	2.9
149.02449	2.4
149.06168	1.2
157.05307	0.9
158.06126	29.2
161.02469	2.0
161.04559	1.5
163.04028	13.5
164.04735	1.0
173.03345	0.8
173.04539	4.3
175.02629	0.9
176.01163	2.0
177.01942	53.2
178.02359	2.7
179.03603	2.3
189.02031	1.7
191.05664	6.2
192.06000	1.0
193.05127	0.8
202.05110	15.4
203.03757	0.7
207.03046	6.9
208.03740	1.3
219.03264	0.8
219.05022	3.5
219.12468	0.8
220.06128	3.6
231.10538	0.9
237.06264	2.5
245.08115	0.9
249.06177	4.5
259.11990	0.7
321.06277	0.9
381.08417	6.3
381.13544	2.0
381.17627	1.9
381.21429	1.3
382.11536	18.8
382.16208	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01721	1.3
69.48631	2.8
71.01400	1.2
85.02973	0.7
98.20649	0.7
101.02480	0.7
144.69958	0.6
176.02252	1.6
249.13554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.38069	0.4
58.00608	0.9
59.01395	2.5
69.03459	1.8
71.01398	2.0
71.47726	0.8
73.02943	1.5
74.99094	1.7
83.01392	0.5
83.05015	0.5
85.02959	1.0
89.02451	1.1
99.00872	0.5
101.02464	1.4
111.22595	0.3
113.02462	0.4
113.06097	1.1
125.09805	0.4
131.07152	0.5
135.08163	0.7
136.99139	0.9
137.09698	2.6
143.23441	0.4
161.04620	0.8
191.14404	0.5
233.19107	0.6
243.17619	0.7
245.19087	2.4
249.13490	1.7
257.15622	0.7
257.19089	1.0
263.20261	0.6
273.18649	1.1
274.19043	0.6
275.20184	1.1
291.19736	0.7
293.17728	0.4
293.21170	0.6
309.20761	0.5
319.19138	1.0
335.18668	0.7
337.20227	33.5
338.20526	4.9
381.19211	100.0
382.19543	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	381.2287
Annotation	Sarcostin
Peak:m/z	Relative Intensity
59.01381	13.1
61.98827	2.7
67.90506	1.4
68.59494	1.5
69.03474	1.8
71.01371	2.1
71.05022	4.0
71.55891	2.0
81.03475	1.6
83.05043	2.6
96.96015	5.3
98.00110	18.9
101.02480	2.1
109.06619	8.8
109.07240	1.8
110.06971	1.7
111.04510	4.1
123.08150	1.6
127.85137	1.4
137.09763	1.8
138.31117	1.8
143.18633	1.4
143.84985	1.6
149.06033	2.0
167.10738	3.1
179.10736	2.0
181.23070	1.7
195.13940	11.0
209.11879	8.1
217.00323	12.6
238.21260	1.5
245.19102	5.2
259.20691	15.2
275.23730	3.8
289.18118	100.0
290.18378	11.6
291.19672	2.3
293.24829	3.2
307.19153	13.7
319.22784	20.2
320.23068	3.4
340.49118	1.7
363.21674	10.9
381.18283	3.7
381.22781	57.5
382.23483	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
69.81634	3.7
78.95906	8.0
138.06862	0.8
149.06081	1.2
151.07687	1.4
152.99623	9.2
170.05852	4.0
199.13445	2.6
212.18855	0.9
217.00346	3.3
233.18973	1.7
235.20676	1.5
251.20152	2.8
261.18784	1.3
277.18115	80.6
278.18448	10.5
279.19675	28.7
280.20004	3.0
295.19165	100.0
296.19489	12.6
339.48224	0.8
357.56192	0.9
363.25464	16.9
364.25760	2.8
381.26517	8.8
382.26566	1.2
399.11539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
62.19596	0.7
71.05020	1.0
71.56654	0.9
78.95915	3.2
90.94971	0.7
114.55354	0.7
121.46610	0.8
141.10982	0.6
141.70160	0.7
152.99608	5.1
153.12834	3.5
163.11320	1.7
165.12817	3.6
170.05843	3.5
179.10783	11.5
180.11153	0.8
181.12363	34.0
182.12648	1.8
195.10265	2.5
197.11830	2.1
199.13409	100.0
200.13762	6.0
215.12933	1.8
217.00270	2.6
345.24460	0.9
363.25504	4.1
381.11401	2.1
381.26608	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	382.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12115	0.6
53.53487	0.6
59.01386	100.0
60.01719	1.5
61.65658	0.6
61.98827	1.0
70.11320	2.3
92.57224	0.6
98.20651	0.8
101.09382	0.6
117.12592	0.6
136.64655	0.7
146.93192	0.6
154.69504	0.8
188.41093	0.7
192.76646	0.7
322.27698	0.7
341.10742	0.7
367.29846	0.9
383.27936	1.6
383.33182	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	383.0775
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01386	10.6
61.98826	2.3
66.66451	1.1
69.36414	2.0
69.36825	7.0
71.01381	3.0
73.80189	1.0
83.01391	1.0
85.02930	1.4
87.00887	2.0
89.02460	4.9
91.04014	2.2
97.02973	3.8
98.20728	1.5
101.02461	2.2
113.02438	2.1
135.99669	1.1
149.63412	1.1
171.10298	1.7
192.42668	1.1
198.03253	2.0
202.02689	2.3
211.13448	1.1
226.02742	4.0
242.02119	2.8
255.02913	2.4
267.02795	1.2
268.03790	3.9
269.04486	2.3
270.01730	8.9
271.02237	1.6
278.63297	0.9
281.04584	2.1
282.05109	1.1
285.04062	18.1
286.04327	1.9
291.19589	2.0
292.94022	1.2
292.97116	1.3
296.03329	1.7
297.04071	9.3
309.04172	1.8
309.20633	10.0
310.20996	1.4
311.05524	3.2
311.08795	1.1
311.22418	1.4
313.00095	2.3
313.03558	27.4
314.03946	3.7
323.18185	1.1
324.02811	15.2
325.03427	8.9
327.05139	2.9
328.05875	7.7
339.05121	39.9
340.05646	7.6
341.10980	4.0
383.07755	100.0
383.24612	2.5
384.08179	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	383.0775
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01389	3.6
71.01402	1.4
73.02944	0.6
85.02985	0.7
87.00906	0.9
89.02481	0.8
96.96008	0.9
109.02982	1.2
125.02345	0.7
135.04552	0.6
142.16481	0.5
145.02983	2.8
157.02966	3.2
159.04582	0.7
161.02475	1.1
164.04784	1.0
173.04634	0.6
175.04057	1.4
179.10797	0.8
181.06575	1.3
183.04494	1.0
185.02455	1.6
187.00328	1.1
196.05261	0.8
197.06020	2.5
198.03435	0.5
207.04463	1.1
208.05362	0.6
209.06024	3.1
211.03929	1.2
211.07686	0.6
214.99814	1.3
216.00630	1.3
219.04529	1.1
224.04872	1.3
225.05592	11.9
226.05905	0.9
228.00606	2.7
229.01445	19.5
230.01752	1.5
235.04016	5.6
236.04695	1.7
237.05585	6.0
239.03519	1.8
244.00121	4.6
251.03641	0.9
252.04225	0.7
253.05080	21.8
254.05453	2.5
255.03065	2.0
263.03519	8.8
264.04245	5.6
265.05038	10.1
266.05521	1.1
267.02951	1.4
269.04498	1.0
270.05429	2.0
279.06680	2.1
280.03806	3.5
280.07172	1.4
281.04581	71.4
282.05136	9.6
285.04196	0.7
291.03049	1.4
292.03812	2.0
293.04611	4.5
295.06137	2.8
296.06903	30.1
297.04321	1.1
297.07504	8.1
298.07962	1.0
299.05460	0.5
307.06012	1.1
308.03201	1.3
309.04086	12.1
310.04504	1.2
311.05707	1.1
311.09305	17.6
312.09586	2.6
323.05569	1.5
324.06433	7.5
325.07013	0.7
329.10410	1.0
335.02136	1.8
339.08768	27.4
340.09106	3.1
352.05933	0.6
353.03125	1.2
355.08243	1.7
367.04791	1.0
368.05463	3.6
383.07748	100.0
384.08099	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	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98454	0.6
58.02986	0.5
59.01387	100.0
60.01733	1.2
71.01399	3.1
71.58250	0.7
73.02945	1.0
85.02982	2.0
87.00886	0.7
89.02465	1.2
91.01858	0.5
93.03471	7.4
95.95237	0.9
96.96044	2.3
100.86582	0.5
101.02459	2.1
113.02475	1.8
117.03493	5.8
119.05064	1.3
123.42371	0.6
135.04585	1.3
137.02464	15.1
145.02974	22.4
146.03325	1.6
163.04065	2.7
164.04828	4.5
173.04602	0.7
179.03569	0.9
179.07176	4.8
191.05739	0.7
197.06032	0.6
209.06168	0.8
225.05637	1.4
229.01466	2.9
230.01617	0.6
235.04054	1.5
236.04720	0.6
237.05705	1.8
244.00183	1.2
251.07486	0.8
253.05153	3.4
263.03592	1.9
265.05087	1.9
277.39886	0.7
280.03711	0.6
281.04349	10.3
281.06946	2.1
282.05203	1.9
292.04016	0.7
293.04691	0.8
296.06897	5.2
297.07574	1.2
309.04025	2.6
311.09186	2.7
324.06534	1.5
335.51581	0.7
339.08853	4.1
368.05344	0.9
383.07974	19.0
383.13644	11.4
384.08221	3.2
384.13617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19679	0.6
56.65562	0.6
59.01387	14.0
61.57400	0.5
61.98828	0.7
68.99826	32.1
69.42097	2.5
69.42516	2.2
71.01386	9.9
72.99321	0.6
73.02957	6.3
78.73706	0.6
79.95784	0.7
83.01389	0.7
85.02950	2.6
87.00901	0.7
89.02460	12.1
95.01394	0.6
95.84706	0.6
96.96013	2.2
99.00894	100.0
100.01232	2.6
101.02449	4.4
108.02169	1.2
109.02937	0.6
113.02436	4.1
117.01991	1.1
119.03493	4.1
121.03035	0.6
137.02432	1.0
139.69762	0.6
141.63443	0.6
143.03490	1.5
149.04556	0.8
152.01169	1.1
161.04617	1.0
179.05577	2.5
179.07024	0.8
183.08333	0.6
189.60269	0.6
224.24457	0.6
272.18640	0.7
315.07214	1.4
317.39966	0.6
323.09644	1.2
341.10941	1.4
359.34927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42601	0.2
53.12820	0.3
53.32485	0.3
59.01386	3.3
59.34900	0.3
70.29486	1.2
70.34892	0.3
70.64420	0.3
71.01391	1.5
73.02935	0.4
73.58062	0.4
73.68430	0.3
74.55731	0.3
83.01391	0.3
85.02936	0.6
87.00893	0.5
89.02459	0.5
93.03465	0.3
96.96011	0.6
101.02459	0.6
108.02174	0.7
109.02982	0.3
113.02498	0.4
119.05014	0.7
134.76369	0.3
135.04521	0.5
137.02425	1.7
145.03012	0.4
147.04535	0.5
152.01173	0.5
162.05576	0.7
163.04004	2.2
164.04805	100.0
165.05119	5.6
173.04587	0.5
177.04283	0.5
179.07149	83.8
180.07506	5.3
190.05151	1.7
190.06703	0.3
191.05533	0.4
192.06723	1.0
315.07495	0.5
320.54001	0.3
324.09869	0.3
337.07138	0.3
383.07510	0.4
383.13089	1.2
383.17407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
66.91779	0.2
69.46870	1.5
71.01395	0.8
73.02972	0.3
83.01369	0.3
85.02972	0.3
87.00877	0.3
89.02448	0.6
89.58475	0.2
96.96027	0.3
97.03003	0.2
97.38325	0.2
101.02479	0.5
107.93375	0.2
112.09853	0.2
113.02453	0.4
133.02881	0.2
135.04517	0.8
149.02458	0.2
153.99083	0.4
163.04008	1.1
164.04810	100.0
165.05138	5.5
173.04466	0.3
179.07153	87.9
180.05914	0.3
180.07486	5.2
186.88829	0.2
191.05626	0.2
251.18259	0.2
323.11282	0.4
340.08896	0.2
341.10687	0.3
383.13376	1.9
383.17047	0.3
383.21094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67285	0.3
59.01390	3.7
62.52932	0.3
66.30173	0.3
71.01403	1.6
71.33318	0.3
71.56660	0.3
71.57079	0.5
72.99319	0.3
73.02915	0.4
78.95936	1.0
79.95779	0.5
83.01414	0.4
85.02990	0.8
86.48905	0.3
89.02445	0.9
95.01421	0.3
96.96033	0.7
101.02459	0.7
113.02457	0.8
135.04559	0.7
152.99562	0.6
163.03955	0.8
164.04810	100.0
165.05150	6.1
167.06229	0.4
179.07153	89.6
180.07491	6.1
209.07265	0.6
221.08359	0.4
323.11270	0.4
341.10983	0.7
397.53323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1385
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
55.01885	0.7
57.03466	0.6
58.00587	2.0
59.01385	53.6
63.56805	0.5
69.19841	6.0
71.01389	29.5
72.99308	2.1
73.02962	1.1
74.99099	0.9
83.01406	1.9
85.02953	5.2
87.00885	6.0
89.02451	37.2
90.02820	0.9
95.01392	1.9
101.02457	18.7
107.34927	0.5
113.02465	11.8
115.05901	1.0
118.74685	0.6
119.03513	14.1
120.76531	0.5
131.03491	1.3
133.06961	1.8
143.03531	1.1
149.04625	0.7
161.04556	1.3
165.14819	0.6
173.04608	0.5
179.05621	2.2
211.80675	0.6
295.12198	7.8
309.28818	0.5
353.80658	0.5
365.12439	0.8
377.87610	0.6
378.55432	0.6
383.13849	100.0
384.14200	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01387	2.9
69.03452	0.5
69.78392	0.4
69.79197	2.3
71.01385	1.1
79.40118	0.4
80.14375	0.4
83.05011	0.5
85.02998	0.4
89.02459	0.9
91.04004	2.2
97.02969	1.4
97.06595	1.3
106.04319	0.5
109.06588	0.5
111.08160	0.7
113.02484	0.6
113.09724	2.2
115.07661	0.8
118.49667	0.4
121.24375	0.4
125.06135	0.4
125.09733	1.2
126.06892	0.4
139.11301	0.8
141.09201	1.5
151.11252	0.5
163.11276	0.7
165.12917	2.3
167.10750	0.8
167.14462	1.4
171.10312	1.0
181.12321	2.9
183.13924	1.2
193.12303	1.0
193.15948	0.7
195.13924	2.3
200.10524	0.5
201.11479	0.6
211.13416	2.5
213.15015	0.7
221.11850	0.7
221.15485	1.6
239.12959	0.8
240.13692	1.1
241.14322	0.7
245.02690	0.6
247.20711	4.4
263.20044	0.6
273.18597	2.1
274.18909	0.5
281.21286	1.8
291.19699	32.9
292.20081	3.8
300.16092	0.4
309.20740	100.0
310.21048	11.4
313.16440	0.5
314.06003	0.6
314.17322	0.8
347.15500	1.3
383.13037	1.4
383.24158	4.6
383.27557	0.5
384.24417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.8
59.01386	14.4
59.05528	1.2
61.98833	2.8
63.28256	1.2
69.03454	2.3
69.21349	12.6
71.01397	4.1
73.02956	2.1
74.02266	1.3
75.74550	1.1
79.95759	1.2
80.70559	1.4
83.05013	1.4
85.02969	1.5
89.02451	9.9
91.04021	18.8
97.02972	2.0
111.08170	35.7
112.08513	1.9
127.07571	1.5
131.08246	1.4
137.09703	2.0
151.11433	1.6
153.12933	2.0
157.97992	1.2
165.12865	2.9
169.12299	6.3
171.10320	6.4
179.10835	1.5
181.12396	1.7
181.49174	1.3
183.13919	2.5
190.28169	1.4
197.11842	90.2
198.12234	6.1
199.13383	4.9
209.11847	3.0
211.13376	9.7
225.14891	1.5
227.12923	8.5
247.20691	1.8
263.20129	8.6
265.18118	4.1
273.18631	2.9
289.18170	1.3
291.19672	52.3
292.20084	5.0
309.20743	100.0
310.21078	11.2
341.10852	2.1
383.24420	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	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.5
69.35242	7.7
71.01408	2.0
83.05063	0.8
89.02414	0.8
91.04010	2.1
97.06606	2.0
113.02461	1.0
115.07673	2.1
139.11288	1.3
141.09265	0.9
150.66852	0.8
155.10803	0.8
165.12865	2.8
167.14359	1.5
169.08478	0.8
181.12309	2.4
183.13905	1.3
184.56073	0.8
193.12354	2.2
195.13889	3.1
197.11942	1.1
211.13406	3.7
221.15453	2.8
247.20711	3.4
263.20462	1.0
273.18549	2.2
281.21072	1.1
291.19690	36.6
292.20020	3.1
309.20746	100.0
310.21130	11.3
314.17511	1.2
383.24313	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	383.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
59.02521	0.6
65.07410	0.6
71.01375	1.2
71.05023	1.3
71.56090	0.7
83.54743	0.7
89.02392	0.9
90.71442	0.8
99.00883	4.3
116.83913	0.7
125.39463	0.7
127.03357	0.7
135.15820	0.6
142.02689	1.0
173.46347	0.8
265.25507	4.7
266.25635	1.2
295.30130	0.9
303.26843	2.5
321.27966	12.5
322.28351	1.9
337.27408	1.2
339.29037	12.8
340.29208	1.7
341.10876	0.8
347.25912	28.3
348.26132	3.8
365.26959	23.5
366.27246	3.0
383.28003	100.0
384.28363	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	383.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
70.12911	1.0
72.31216	0.3
74.81994	0.3
78.39161	0.3
79.77997	0.3
84.09180	0.3
93.66657	0.3
101.60916	0.3
142.71112	0.3
204.80978	0.3
256.76694	0.3
293.28302	0.3
319.30017	1.1
321.31628	58.7
322.31985	8.2
339.32739	1.5
365.30582	15.7
366.30893	2.1
383.31674	100.0
384.32013	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	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.48990	1.8
64.99374	2.3
112.14912	1.9
209.73668	2.2
229.41548	3.1
241.84210	2.7
263.69177	2.5
385.33420	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	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33913	0.6
55.01881	2.4
57.03454	12.0
59.01387	7.2
63.18961	0.5
67.35110	0.6
68.99829	0.8
69.60932	3.4
71.01404	3.9
72.99339	1.4
83.01399	2.3
84.02180	1.7
85.02962	100.0
86.03293	2.6
87.00871	1.8
89.02449	0.6
93.03483	0.8
101.02483	0.9
103.00394	1.7
111.00900	2.1
115.00430	0.9
129.01956	7.6
134.03740	4.4
135.75946	0.6
136.01692	0.6
136.99260	0.7
147.03020	10.2
151.04015	0.8
173.00882	0.7
173.04533	2.3
191.01996	26.3
191.05606	1.1
192.02451	1.1
193.04999	3.5
209.03043	12.7
211.06102	1.1
223.04597	1.1
224.81400	0.6
281.21759	0.6
287.15668	0.6
288.47110	0.6
330.43390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01871	1.2
57.03452	1.2
57.32658	0.7
57.76840	0.7
58.00595	1.1
59.01112	1.3
59.01386	18.3
69.03471	1.2
69.45895	2.9
69.46320	2.8
71.01388	14.8
72.99304	2.2
75.00888	5.5
77.87338	0.8
78.44761	0.8
85.02957	14.7
87.00870	3.5
89.02454	7.2
91.01901	1.8
91.05535	3.0
95.01398	1.7
98.19962	1.7
99.00899	2.6
101.02447	2.8
103.00365	1.5
103.01861	1.1
113.01711	1.3
113.02468	16.9
117.01938	1.0
117.03490	2.3
119.01397	4.4
119.03497	1.9
121.02946	1.2
129.01938	0.9
133.02986	1.6
135.04549	1.7
136.48535	0.9
147.00856	2.9
149.02477	7.1
161.02441	7.0
163.04062	1.2
164.04782	8.3
165.01857	1.1
175.00383	25.5
179.07098	2.8
186.41003	0.8
189.02094	1.4
190.02733	68.6
191.03192	4.8
193.01385	1.5
203.07660	0.8
205.05075	100.0
206.05400	7.4
208.03763	4.0
221.08136	1.8
223.06129	23.3
223.08185	0.9
224.06627	1.1
232.03697	1.1
247.06180	5.0
249.06133	2.8
265.07202	2.9
267.07230	42.1
268.07504	1.8
295.08151	1.0
325.09131	2.6
385.11407	17.2
386.11972	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60439	0.6
55.01873	1.2
57.01913	0.6
57.03447	2.7
58.00601	1.2
59.01385	23.1
64.05140	0.6
67.01899	1.2
68.99834	2.0
69.03461	1.6
69.45806	0.7
69.72604	1.9
69.73027	1.5
71.01385	23.3
72.99320	5.3
73.02959	2.6
75.00880	18.9
81.03458	0.9
83.01398	1.9
85.02959	29.1
86.57393	0.7
87.00889	10.6
89.02456	8.5
91.05544	24.5
92.05904	1.0
95.01404	6.7
95.05263	0.6
99.00890	11.5
99.04538	0.7
101.02463	1.5
103.00386	2.9
111.00858	1.0
113.02463	36.5
114.02821	1.0
115.00394	2.0
117.01951	2.9
117.03464	5.3
129.01970	3.3
131.03554	0.7
135.04541	12.8
149.04559	0.7
157.01439	0.8
164.04829	0.7
175.02475	2.5
205.05231	1.2
205.07225	1.9
207.05167	0.9
223.08258	0.9
231.05119	2.5
249.06168	41.4
250.06551	2.6
265.07141	1.1
267.07233	100.0
268.07556	6.6
274.31296	0.6
325.09473	0.9
385.11423	32.0
386.11884	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94168	0.8
55.01886	1.2
55.93012	0.8
57.03462	2.4
59.01387	15.3
59.92719	0.8
62.05146	0.8
63.28351	0.7
67.01868	0.9
68.99816	1.3
69.49428	6.2
71.01392	20.3
72.99323	3.9
73.02962	1.3
75.00883	15.4
77.23176	0.8
81.15607	0.9
83.01400	2.2
85.02958	25.1
87.00885	7.6
89.02439	7.0
91.04047	1.1
91.05546	20.9
95.01411	5.7
96.71236	0.8
98.20565	2.2
99.00892	10.2
103.00388	2.6
110.47203	0.8
111.00922	1.3
112.01684	1.5
113.02463	33.2
115.00388	1.8
117.01954	3.0
117.03463	4.9
129.01962	3.7
131.03465	1.4
133.31017	0.9
135.04546	10.7
156.75569	0.9
156.77072	0.9
175.02544	3.4
175.07159	1.0
207.05197	0.8
217.20535	0.9
231.05121	2.0
245.43935	0.9
249.06172	37.7
267.07233	100.0
268.07535	4.1
313.99524	0.9
322.81992	1.0
385.11465	31.4
386.11923	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	385.1145
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.31219	2.0
53.48733	1.9
56.38225	2.1
57.03455	3.1
58.00605	2.7
58.34988	1.8
59.01386	100.0
69.72923	10.7
71.01390	65.1
72.99323	3.2
73.02969	4.2
83.01389	3.6
85.02953	20.0
87.00903	2.8
89.02454	58.4
89.46036	2.0
90.84943	2.0
93.03431	3.2
99.00903	2.3
101.02457	29.4
105.12175	2.2
113.02459	29.3
119.01365	2.4
119.03529	22.1
120.99641	3.8
121.02974	6.6
131.03535	2.6
135.04549	11.8
143.03511	2.3
147.03189	3.6
149.02452	52.0
150.02831	2.5
152.01158	2.2
152.14880	2.2
153.09276	10.3
161.02504	3.7
161.04590	5.0
162.05649	3.0
163.04002	10.0
164.04814	59.4
165.05107	2.1
166.02705	7.9
175.00371	23.9
177.05496	3.4
178.05090	5.7
178.06494	3.4
179.05682	4.8
179.07137	18.6
181.05072	4.5
190.02728	67.5
191.03432	12.6
191.05606	3.3
193.01404	5.8
205.05069	62.0
205.12259	4.3
206.05893	23.6
207.03114	3.7
208.03748	16.0
209.11745	2.9
221.08223	28.3
222.05440	2.5
223.02718	3.9
223.06122	92.2
224.06429	5.5
235.02525	3.5
237.07680	7.6
241.66469	2.7
247.06146	9.9
250.04837	8.7
251.05630	3.2
255.05804	2.7
265.07181	76.5
266.07526	6.1
267.06763	4.1
269.34155	2.4
295.08191	43.9
296.08499	3.6
315.32715	2.8
325.09317	87.8
326.09598	6.1
347.72516	2.7
385.11301	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	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03443	4.7
58.00607	1.1
59.01386	100.0
60.01719	1.7
68.99817	2.3
71.01389	23.1
72.99303	4.5
73.02941	3.6
74.49696	1.2
75.00882	13.9
83.01408	2.3
85.02961	24.6
87.00885	7.7
89.02460	7.9
91.05558	6.2
93.03461	1.8
95.01390	5.1
99.00887	11.9
101.02480	6.1
103.00362	1.8
111.00861	2.0
113.02467	24.9
117.01947	3.2
119.03455	2.1
120.99660	1.6
135.04543	74.6
136.04874	5.0
137.02409	1.3
163.11325	4.5
174.01678	1.6
175.02567	1.7
181.12329	7.1
187.11214	1.7
189.12886	1.4
191.05594	1.3
205.05122	2.2
205.12346	2.2
223.06281	1.7
223.13377	1.5
231.05141	5.1
249.06172	53.8
250.06473	2.7
287.24603	1.4
385.11444	40.7
386.11719	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	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01387	100.0
60.01703	1.6
61.98809	1.0
69.27605	2.6
69.28030	4.3
71.01393	5.1
73.02961	1.7
79.95766	0.9
83.01410	1.5
85.02955	4.6
89.02447	1.8
93.03433	1.0
99.00922	0.8
99.04517	3.3
101.02448	3.4
113.02468	3.7
119.03493	0.8
120.39395	0.7
135.04524	0.9
137.07188	1.2
148.05331	22.0
149.05658	0.9
152.08501	1.1
153.09177	0.9
155.98515	1.1
157.98248	0.9
161.04556	1.9
163.04024	1.2
163.07678	27.7
164.04805	0.8
164.07962	1.5
167.68858	0.8
173.00986	1.3
174.01691	3.4
221.08250	0.8
223.06201	1.5
223.13425	1.1
265.07266	1.1
289.15570	1.2
295.08292	1.2
313.29147	0.9
325.09344	1.5
377.07864	0.8
385.10883	3.8
385.18539	1.1
386.11261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.3
57.39915	2.8
59.01384	42.3
61.98810	2.9
65.71638	2.6
69.76460	2.6
70.84203	3.5
70.84514	4.8
71.01382	20.0
72.99315	13.5
73.02943	2.9
83.05031	3.7
85.02953	11.6
87.00893	3.4
89.02432	8.0
95.54312	2.7
96.96024	2.9
99.00893	14.5
101.02466	3.4
111.00875	5.1
112.98835	26.6
113.02433	3.7
115.00364	5.5
116.12508	2.6
128.69246	3.3
135.04539	2.5
142.99869	36.1
145.01501	3.6
149.02435	11.4
156.00650	3.7
163.07724	3.5
164.04765	12.0
164.06012	3.0
167.20209	3.0
173.00919	17.0
174.01707	100.0
175.00398	5.6
175.02274	6.7
179.07217	4.6
190.02750	11.3
195.13976	3.6
205.05017	9.2
205.12305	5.9
206.05779	3.0
207.03201	3.0
211.13405	28.3
212.13632	3.4
221.08220	4.7
223.06146	14.2
223.13382	29.1
234.51808	2.6
237.11230	3.4
239.12683	2.8
245.11905	4.0
247.81285	2.7
251.12814	4.3
254.66460	3.0
257.12308	3.2
263.12869	6.5
265.07159	11.3
267.12405	21.6
283.12094	3.2
295.08289	5.3
307.11774	8.9
325.09366	10.1
340.09595	3.5
367.14038	19.8
373.38937	3.2
374.49530	3.0
385.14801	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	385.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11290	3.3
57.03451	9.6
59.01388	25.3
61.98826	5.6
65.53090	3.1
69.43485	27.7
71.01388	6.8
75.52409	3.2
79.93644	3.1
85.02956	11.9
96.12516	3.6
96.95975	4.3
113.08498	4.1
113.09737	12.4
125.09734	15.0
127.11288	10.4
132.36990	3.6
137.09703	8.5
141.09256	8.5
151.11499	3.8
153.09233	4.3
155.10806	7.9
165.09196	5.3
171.10324	10.2
193.08464	10.2
195.10152	4.0
199.09807	4.3
201.11357	75.6
213.11357	45.9
214.11636	3.8
223.09561	62.0
224.10005	5.1
227.12886	4.2
235.09581	27.9
241.09366	9.9
249.11191	11.0
259.05972	8.3
291.19955	5.4
298.32037	3.7
309.20804	13.7
311.22205	8.7
327.21786	100.0
328.22165	10.7
331.18872	47.3
332.19333	6.9
349.19565	13.0
385.17587	75.4
385.22491	4.7
386.17877	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	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03458	3.8
58.00601	4.9
59.01385	100.0
60.01721	1.3
64.01254	0.4
69.03474	0.6
69.76214	2.3
71.01390	70.6
72.01724	1.2
72.99319	5.4
73.02951	6.2
75.00870	0.4
80.96208	0.4
81.03432	0.5
83.01407	3.4
83.05044	0.6
84.02158	0.4
85.02959	18.7
86.03302	0.6
87.00887	3.5
89.02453	82.1
89.51974	0.4
90.02770	1.9
93.03471	1.1
95.01395	5.4
97.02942	1.0
98.19991	0.8
99.00884	2.4
101.02455	39.1
102.02802	1.1
108.02158	0.8
109.02975	0.4
113.02460	29.5
114.02754	1.6
115.04006	0.5
119.03515	37.9
120.03851	0.8
120.99640	1.3
121.02956	0.7
121.06569	0.7
123.08170	2.6
125.02467	0.6
125.09702	0.8
129.01961	0.9
131.03496	2.8
131.94615	0.4
134.03728	0.7
135.04491	1.5
135.08167	1.9
135.11945	0.4
135.68861	0.4
136.14108	0.4
137.02432	1.0
137.09755	3.7
138.01889	0.4
138.06860	1.0
139.07617	0.6
143.03511	5.9
147.03014	0.4
147.04497	0.4
147.08127	2.0
149.02469	3.3
149.04544	3.3
151.07565	0.7
152.08418	1.0
153.09230	14.4
154.09549	1.0
159.02963	0.6
161.04573	7.1
163.04012	0.5
163.11220	0.6
164.04819	3.1
165.09160	0.5
167.01715	0.4
173.04500	0.7
175.00279	1.5
175.11298	0.7
177.05565	0.6
177.12811	0.5
179.05656	12.5
179.07117	1.8
179.10771	0.5
187.11298	2.0
189.09201	0.7
190.02715	4.1
190.09976	0.7
190.57288	0.4
191.01898	1.1
191.03462	0.9
191.05495	0.8
193.01195	0.4
205.05110	3.4
205.12328	14.7
206.05698	1.2
206.12653	1.1
208.03641	1.3
209.02930	0.6
221.08134	1.5
223.04140	0.4
223.06125	5.3
223.13361	2.8
224.06360	0.4
249.06070	1.0
265.07214	3.6
267.06995	1.6
282.08899	0.6
295.08249	2.7
325.09338	4.0
341.10562	0.4
385.11169	0.6
385.18658	10.8
386.18542	1.5
386.75089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2234
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.89848	1.4
53.40206	1.6
55.80776	1.4
57.03428	2.1
58.15265	1.8
59.01377	9.8
61.98824	5.7
71.01379	2.2
71.56782	2.0
79.04768	1.7
85.02940	2.9
89.02461	3.7
91.04015	3.0
96.96030	2.7
121.02967	2.1
121.68578	1.5
122.03752	2.1
130.59583	1.9
137.84883	1.7
153.09218	1.9
161.02390	2.3
193.15912	2.2
209.35429	1.7
223.20663	3.6
231.17509	1.7
245.66855	1.8
249.18608	6.5
267.19662	100.0
268.19971	10.3
274.16452	1.9
275.16562	11.0
293.12402	5.9
293.17612	79.3
294.12769	1.7
294.17816	8.4
299.62357	1.6
311.18604	13.0
367.21170	10.4
385.17599	2.6
385.22327	55.3
385.26074	2.2
386.22577	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60918	0.4
57.03444	0.5
59.01395	2.1
59.39757	0.4
70.96229	0.5
70.96562	0.7
71.01373	0.8
89.02439	0.8
91.04025	1.9
107.12354	0.4
113.09727	0.9
115.07655	1.4
121.02983	3.3
127.11317	0.4
128.08437	0.9
139.11281	0.5
165.94984	0.4
167.14430	2.7
171.10278	1.4
183.13937	2.2
185.11890	0.5
195.13919	11.1
196.14258	1.0
197.11868	1.1
211.13380	1.4
213.14943	1.0
218.55034	0.4
232.79057	0.4
242.15399	0.5
249.19794	0.4
249.22223	1.0
267.23349	0.8
275.20038	0.5
283.22781	0.8
287.05490	1.4
293.21262	11.8
294.21603	1.3
309.20779	1.2
311.22293	100.0
312.22653	12.8
313.07230	0.8
385.25784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37967	0.4
59.01397	2.6
61.98841	0.5
70.88750	1.0
71.01398	1.0
85.02994	0.5
85.80310	0.4
87.03839	0.4
88.62460	0.4
89.02443	0.5
91.04031	1.6
96.96028	0.6
97.06638	0.6
102.33291	0.4
109.47623	0.5
111.08157	0.5
113.09778	0.9
115.07689	0.8
125.09747	0.7
131.08279	1.1
139.11331	0.7
166.35526	0.4
167.14442	2.6
183.13905	2.8
195.13925	12.9
196.14320	1.0
197.11833	0.6
211.13406	0.8
213.14987	1.2
241.14482	0.7
242.15146	0.7
245.02609	1.2
249.22232	1.5
265.21881	0.5
267.23248	0.8
285.05881	1.4
287.05386	1.1
293.21289	10.7
293.91299	0.4
294.21600	1.3
300.99734	0.5
309.20850	0.9
311.22318	100.0
312.22626	11.8
367.13434	0.6
385.15125	1.0
385.25903	2.6
385.30380	0.9
395.16663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08927	0.5
57.03457	1.0
59.01377	3.1
61.67930	0.6
61.98844	0.5
71.01378	1.2
71.55843	0.7
75.25675	0.5
76.62511	0.4
85.02950	0.9
86.17178	0.5
89.02448	0.6
91.04012	1.8
94.76242	0.5
96.95982	0.9
97.06592	0.7
123.08208	0.8
125.09706	3.3
135.08138	0.7
139.11328	1.3
141.09276	2.5
141.12860	1.4
151.07709	0.7
153.09233	1.6
155.14432	2.8
157.12358	0.9
171.10326	3.0
179.93117	0.6
183.13976	0.6
198.66638	0.6
199.09810	1.2
200.10493	1.9
218.95575	1.1
245.02640	1.3
249.22179	2.8
265.21722	1.6
267.23199	1.5
275.20264	1.0
276.02615	6.6
277.02911	0.6
293.21262	11.4
294.21594	1.4
298.22623	0.6
309.20779	3.7
311.22308	100.0
312.22644	11.3
314.79288	0.5
347.16086	0.6
348.41660	0.5
385.25595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1085
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
55.48380	1.1
57.03452	2.9
59.01397	6.5
67.01902	1.7
69.03462	54.2
70.03793	1.9
71.01379	9.7
79.01894	22.7
79.95684	1.2
81.03452	4.3
85.02959	21.0
89.02460	1.8
89.76011	1.4
92.92635	1.3
93.03477	1.4
95.01396	9.7
96.96017	4.6
97.02959	35.1
98.03275	1.6
99.00863	1.6
101.02470	2.9
105.03506	2.9
107.01399	52.6
108.02232	10.1
109.02959	5.8
113.02516	1.4
119.05025	1.5
121.02959	9.8
123.00900	17.2
124.34965	1.2
125.02457	64.6
126.02843	1.2
133.02966	2.8
134.03664	1.3
135.00917	10.3
135.04552	3.6
136.01642	5.0
137.02464	3.5
145.02972	2.7
145.05090	5.0
146.52141	1.4
147.04555	1.9
148.01701	1.4
151.00385	74.6
152.01137	6.9
153.01920	3.3
161.02473	4.5
161.04520	1.5
163.04041	5.0
171.10304	2.4
173.02361	2.3
174.01712	7.5
177.02060	1.1
191.03513	3.7
197.06088	4.1
203.03506	2.5
211.13374	3.1
215.06892	1.8
225.05598	1.9
229.14505	1.9
233.11662	1.8
242.05865	100.0
243.06433	15.3
269.08200	18.8
270.08621	2.3
327.21838	8.9
328.21991	2.5
349.20090	3.6
387.10883	76.6
387.17123	8.1
387.24127	1.7
388.11230	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	387.109
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
50.06414	0.6
53.72482	0.5
59.01154	0.6
59.01388	7.7
65.00323	1.1
69.99791	1.4
70.00179	1.4
71.01393	4.2
73.02946	1.3
83.01402	0.7
85.02956	2.3
89.02461	1.4
89.03981	1.0
91.01897	5.9
93.03454	1.2
96.99320	6.6
98.19927	0.8
101.02467	3.2
108.02197	1.1
109.02966	6.5
113.02446	1.8
117.03478	2.6
119.03486	0.8
121.02984	2.1
123.04539	10.1
124.01659	1.0
133.02934	1.2
134.03754	31.0
134.54039	0.8
135.04465	1.2
137.02466	1.9
145.02956	5.4
146.03754	11.4
147.04541	5.1
148.01688	1.2
148.05247	1.0
149.06102	2.7
158.03746	8.5
159.04526	18.5
160.01665	1.4
160.05095	1.1
161.06107	4.8
163.03989	3.2
173.06041	6.4
174.03081	0.7
175.03981	1.6
177.05585	0.6
178.02766	3.4
179.03447	1.5
181.64575	0.6
187.04037	1.0
193.05067	11.5
213.05710	1.0
214.78152	0.7
241.05040	2.0
249.05629	1.7
250.06325	1.1
256.07431	1.4
266.05832	5.0
267.06625	7.7
268.07242	4.0
269.08127	2.1
271.09821	2.1
277.05060	1.1
280.07327	1.2
281.08246	13.3
282.08936	5.1
283.09668	4.1
284.10638	3.3
293.07910	0.9
294.05356	0.9
295.06125	13.5
296.06561	1.4
297.11411	1.0
309.07669	2.1
310.08405	10.6
311.08759	0.9
325.10864	10.6
326.11099	1.8
332.62607	0.7
343.11880	1.4
354.07492	2.6
369.09811	5.9
370.10120	1.2
387.10876	100.0
388.11157	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96848	0.6
55.74385	0.7
59.01387	71.3
61.75325	0.8
62.78362	0.8
70.05852	3.1
71.01387	15.2
72.09938	0.7
72.99311	1.3
75.86335	0.8
83.01408	0.9
85.02969	3.8
89.02460	13.3
93.03467	14.9
95.01399	1.3
99.00890	1.1
101.02468	9.2
113.02480	5.3
119.03519	5.8
137.02458	30.8
138.02794	0.9
163.11310	39.2
164.11642	2.1
179.05638	1.1
207.10310	3.5
249.06219	5.0
353.52753	0.9
369.15820	0.9
386.28403	0.9
387.16644	100.0
388.16934	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.75898	0.6
55.01879	0.8
57.03475	0.7
58.00600	1.2
59.01388	84.1
60.01731	1.3
69.40160	1.9
69.40588	2.6
71.01391	16.3
72.99324	1.0
73.02961	0.8
83.01391	0.9
85.02964	3.4
87.00891	0.8
89.02453	16.6
95.01411	1.4
101.02448	10.4
113.02460	5.7
114.52567	0.5
119.03503	6.0
131.03543	0.9
137.02524	0.6
147.08253	0.6
163.11307	39.1
164.11647	2.3
177.01932	0.8
179.05670	0.6
192.04347	1.1
207.06682	2.8
207.10275	1.3
209.11613	0.7
226.30144	0.6
272.21796	0.6
369.15485	0.7
387.16644	100.0
388.16953	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.3
59.01385	87.7
60.01706	1.3
65.81422	0.6
69.26671	0.5
71.01388	18.2
71.35426	0.9
71.35755	0.7
72.99312	1.5
73.02967	0.6
75.00865	0.6
76.34665	0.6
83.01386	1.4
85.02982	3.5
85.57574	0.5
87.00889	0.8
89.02451	18.3
90.02731	0.6
95.01416	1.3
101.02453	12.1
113.02474	6.8
119.03506	5.7
131.03516	0.8
138.56027	0.6
153.01959	0.7
161.04509	0.6
163.11293	5.3
207.10255	15.4
208.10669	1.0
225.11484	0.8
267.07153	0.7
269.07666	2.0
307.82108	0.6
329.38214	0.5
387.16635	100.0
388.16956	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03416	0.9
58.00611	1.2
59.01386	100.0
69.79757	2.4
69.80169	1.4
70.63295	0.8
71.01389	18.6
72.99354	1.0
73.02969	1.4
76.86543	0.7
83.01405	1.3
85.02969	3.9
87.00877	0.8
89.02449	19.3
95.01408	1.7
101.02457	12.6
113.02461	6.6
119.03520	7.4
119.93759	0.7
121.02961	1.2
141.26408	0.7
153.01950	1.8
159.07761	1.4
161.04555	0.9
163.11307	17.9
165.52728	0.8
168.04280	2.5
177.22867	0.7
183.06613	2.0
198.48409	0.7
207.10262	3.4
221.08804	0.7
230.02007	0.8
299.73724	0.9
387.16638	92.6
388.17084	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	387.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.8
61.98837	14.3
65.46398	2.3
69.10831	2.1
71.01377	4.8
71.56012	5.2
78.95909	6.0
79.95737	4.9
89.02392	3.0
96.96007	8.9
99.08167	5.3
101.02485	3.1
113.02486	2.6
121.02949	3.4
125.09740	3.3
127.11303	3.3
139.11302	5.5
139.41855	2.5
149.38588	2.5
163.16351	2.6
165.12877	3.9
171.10301	11.7
183.13885	5.4
193.08505	5.0
193.12296	2.7
209.11862	4.5
211.13383	33.1
229.14406	20.6
233.11627	29.7
234.11961	3.3
249.11154	4.9
251.12637	8.2
315.31711	2.3
329.23355	84.8
330.23682	9.5
351.21506	26.4
352.21851	3.0
387.15146	3.6
387.19193	100.0
388.19550	13.3
409.65546	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.2
57.03455	2.8
58.00602	3.8
59.01385	100.0
60.01728	1.5
69.03461	0.7
71.01386	64.1
72.01733	1.2
72.99323	4.1
73.02953	9.2
83.01393	6.3
83.28596	0.6
83.75407	0.5
85.02957	19.6
85.03462	1.1
87.00898	2.7
89.02454	58.7
90.02787	0.9
95.01383	4.4
97.02973	0.8
99.00919	2.8
101.02452	44.2
102.02811	1.2
111.00933	0.7
113.02457	26.8
114.02847	0.6
119.03513	25.6
120.03969	0.8
131.03543	2.5
136.05333	0.7
143.03505	3.8
149.04588	1.7
151.07692	1.4
152.08437	7.9
153.01985	1.4
153.09219	1.5
159.02997	2.9
159.07822	0.9
161.04573	13.1
163.11389	1.5
170.95953	0.6
173.84299	0.6
179.05614	6.8
207.10349	2.0
225.15007	5.4
340.44980	0.7
341.56631	0.7
372.18347	1.1
387.16486	10.1
387.20493	48.4
388.16550	1.4
388.20956	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03450	3.1
58.00599	1.9
59.01385	62.5
60.01708	0.8
68.99822	0.5
69.03458	0.7
69.19330	1.3
69.19755	2.9
71.01387	49.4
72.01720	0.8
72.99312	4.0
73.02952	9.1
75.00872	0.9
83.01389	5.9
84.02212	0.5
85.02959	17.8
87.00896	3.8
88.67453	0.4
89.02452	37.5
90.02758	0.7
93.03477	6.8
95.01385	4.2
97.02966	1.0
99.00897	4.2
101.02453	36.5
102.02805	1.0
111.00903	0.7
113.02462	19.3
114.02795	0.7
119.03515	14.5
120.66170	0.5
121.02967	1.9
123.04477	0.5
125.02483	1.0
131.03510	1.6
134.03841	0.5
135.04532	1.0
137.02458	14.1
137.09729	1.7
138.02820	0.6
143.03505	2.7
149.04543	1.0
152.08443	1.5
159.03021	2.4
161.04570	8.7
163.11227	0.6
179.03503	0.9
179.05653	2.5
195.13901	1.4
197.15485	1.6
207.13936	1.6
214.71410	0.4
225.14987	15.0
226.15303	1.4
249.06192	1.5
250.05052	0.5
265.07227	0.6
267.07181	0.5
279.26193	0.5
387.10254	2.5
387.20261	100.0
388.20618	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	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	44.3
60.53863	44.3
71.03497	100.0
82.59735	41.8
143.51106	47.6
264.97342	45.2
271.56900	44.5
301.66000	44.5
344.50955	46.3
387.24945	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	77.7
70.13187	100.0
118.37505	28.8
119.09940	34.2
119.62545	30.8
193.48972	32.0
202.09685	27.8
310.80902	35.5
349.27451	40.0
387.29233	40.4
404.59848	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.58803	71.8
95.19750	11.2
101.02348	10.4
125.93478	10.6
147.09776	11.1
188.64835	10.5
291.84500	10.3
302.88748	10.7
387.29391	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	388.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04184	1.2
54.07035	1.4
60.30195	1.2
61.80230	1.2
61.98837	100.0
69.59191	8.5
69.80553	1.3
73.59803	1.3
73.89889	1.2
96.95996	2.6
97.61877	1.2
122.98515	1.1
137.02420	1.6
282.33499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64766	14.1
55.16267	14.5
59.01392	97.0
61.98837	19.8
71.01382	44.7
71.09502	28.5
85.02964	100.0
89.02457	45.2
96.60780	14.2
101.02440	24.3
113.02521	20.4
121.02932	19.8
153.21718	16.0
190.56789	17.0
191.02080	28.9
200.01024	23.7
209.03006	16.4
227.05591	26.6
258.95654	16.9
260.97116	20.8
344.37604	16.4
389.12329	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44337	4.9
55.49065	4.5
56.44582	4.2
57.03456	9.8
59.01388	54.3
61.98833	14.4
63.96243	15.3
64.18563	4.5
70.26865	17.4
71.01379	37.9
72.58369	4.4
72.99326	8.4
73.02927	5.1
73.99066	4.5
85.02967	45.2
87.00890	9.6
89.02462	26.0
93.03471	7.2
98.20462	6.5
101.02460	17.0
111.04538	6.6
113.02416	14.6
117.97324	100.0
119.03510	10.9
120.48309	4.9
121.02956	15.3
128.03554	7.1
133.02948	13.6
134.03766	12.5
135.04527	16.8
137.02440	6.3
142.27266	4.6
143.04668	8.3
149.06117	10.5
151.03882	5.0
155.62459	4.7
166.04942	5.1
173.04552	16.1
175.03989	8.8
178.02760	8.5
179.03481	13.0
179.05635	5.5
191.01999	9.9
193.05066	23.0
194.05786	11.5
200.00906	23.9
209.02904	13.4
209.08171	16.0
215.03241	17.0
227.09267	5.7
227.54919	4.8
298.03690	12.8
306.07495	6.3
348.79297	5.2
389.08090	45.0
390.09012	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	4.2
59.01386	100.0
60.73281	1.7
67.47843	2.2
70.91359	2.2
70.91683	3.5
71.01393	77.4
71.21769	1.9
72.99313	6.9
79.67419	1.9
85.02958	28.6
87.00894	5.7
89.02455	96.3
89.03017	4.6
93.03462	3.5
95.01403	5.3
101.02470	30.5
105.15780	1.8
106.51839	2.1
109.03016	1.8
111.00891	3.5
113.02460	28.3
117.97330	13.7
119.03521	28.8
121.02975	6.6
128.03500	1.9
131.03491	3.5
133.03006	2.4
135.04539	18.5
143.03497	6.6
143.04619	3.5
147.02956	2.2
149.06050	4.0
161.04643	9.3
173.04546	5.9
174.15663	1.7
179.03467	7.4
179.05656	16.0
191.01978	3.9
191.05637	6.0
193.05032	4.5
200.00858	5.0
209.02911	3.5
209.08189	2.8
215.03261	2.6
224.91650	1.6
226.06238	2.7
227.07213	2.8
243.04295	2.0
298.03726	3.1
306.07675	4.9
353.08704	2.9
389.08228	3.9
406.28540	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45844	0.6
57.03462	0.9
59.01387	100.0
60.01725	1.0
70.29648	2.6
71.01379	3.3
71.40501	0.7
73.02970	2.1
74.63256	0.7
79.95753	1.9
83.01402	0.7
85.02972	1.5
87.00870	0.7
87.02749	6.3
87.80119	0.6
89.02480	0.7
91.77512	0.7
93.03455	1.4
101.02465	2.3
113.02468	1.2
114.01473	2.6
128.37073	0.6
137.02443	2.3
139.30937	0.8
147.97052	0.8
153.79457	0.8
159.54012	0.7
161.02521	0.8
183.14091	0.8
197.10037	3.2
215.12878	6.1
227.12933	0.6
241.12758	0.8
259.13742	14.8
260.14133	1.0
298.49454	0.7
323.75635	0.7
329.14474	2.0
332.76788	0.7
347.15451	2.1
389.12460	2.5
389.16791	1.9
389.25665	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33121	0.6
55.01882	1.6
57.03450	2.5
58.00579	1.0
59.01388	98.2
60.01726	2.1
66.49766	0.7
67.01899	2.8
69.03461	1.2
71.01390	23.6
71.56664	1.0
71.99785	0.6
72.99330	1.0
73.02948	6.8
81.03477	1.1
83.01402	3.8
83.05037	0.8
85.02962	14.6
87.00904	3.5
89.02451	11.0
93.03471	16.8
93.04019	1.3
94.03822	1.1
95.01399	1.3
99.00904	2.7
101.02457	15.7
107.05049	2.2
109.02969	0.7
111.00929	1.4
111.04517	3.6
113.02472	10.1
113.06146	0.8
113.39112	0.6
119.03464	3.6
121.02938	0.9
127.04047	1.6
132.10588	0.6
135.04538	28.6
136.04892	2.2
137.02457	2.8
143.03511	1.6
147.03026	0.7
149.09763	1.1
151.00446	1.0
155.03503	3.2
159.02931	0.9
161.02469	1.4
161.04543	4.0
166.02730	3.1
167.03491	0.8
167.10826	0.8
170.41751	0.7
173.04564	78.7
174.04929	3.3
179.03522	8.7
191.05629	33.3
192.05966	2.0
227.12933	1.0
257.41650	0.7
281.39569	0.7
329.08899	1.4
329.16125	1.8
353.08762	19.0
354.09015	1.5
371.17020	1.5
389.18176	100.0
390.18469	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	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03440	1.9
59.01384	30.2
71.01381	6.5
71.58451	0.9
72.99305	1.0
73.02971	1.1
79.23325	0.7
79.95760	1.4
83.01397	0.8
83.05010	1.2
85.02965	3.2
89.02451	5.3
93.03452	0.9
95.01367	0.9
96.96020	1.1
101.02463	4.4
111.08144	1.9
113.02465	4.4
118.22907	0.7
119.03490	1.1
125.02479	0.9
134.03845	0.7
139.68579	0.6
153.77637	0.8
161.04533	1.7
165.12859	26.1
166.13167	2.0
175.02516	0.7
175.03986	1.3
183.13918	75.3
184.14247	5.3
190.06487	0.8
195.13802	0.6
197.15497	2.2
207.13977	2.0
207.55615	0.7
209.11749	3.6
215.12898	1.1
225.14987	2.1
227.12903	100.0
228.13243	6.6
228.57065	0.7
241.14342	0.7
251.12886	4.3
269.13998	2.7
329.15881	1.3
389.16629	3.4
389.25598	6.1
390.25354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30930	1.2
59.01390	9.9
61.98834	6.4
67.19022	1.6
70.67776	2.4
70.68106	3.0
71.05025	3.4
79.95730	4.6
80.96504	1.8
83.05023	1.9
84.17223	1.3
88.61469	1.5
93.03480	1.8
96.96021	100.0
109.02996	1.5
109.06588	6.0
111.04507	6.9
111.08099	1.9
113.02445	1.6
121.02929	1.5
121.06599	3.3
127.07626	1.7
139.98320	1.4
145.06630	1.6
149.06042	4.4
181.38811	1.5
201.32867	1.5
205.97322	1.8
217.12238	2.2
236.74133	1.5
242.99611	1.5
243.17393	1.7
245.19252	3.1
251.40118	1.5
257.11584	4.0
289.18109	48.8
290.18481	4.0
307.18954	4.0
311.16248	2.6
329.17200	31.4
330.17270	3.0
389.16296	34.8
389.23386	2.8
389.27454	1.9
390.16730	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	389.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73979	2.8
57.03458	4.1
59.01386	54.4
70.60489	2.5
75.76218	3.0
80.02698	5.5
81.03458	7.0
83.01404	10.8
83.05029	4.6
93.97254	2.5
95.05047	7.3
97.02935	5.6
97.06598	11.9
98.19872	7.9
123.04533	11.1
123.08154	5.4
125.09749	20.6
135.08167	3.6
137.06155	3.2
137.09731	9.2
142.02681	2.7
142.25594	3.1
149.06105	3.2
161.09784	2.9
163.07607	3.7
163.11334	16.2
165.12881	7.5
171.10202	3.8
175.07317	2.9
177.12698	2.9
185.11801	12.9
191.10840	4.9
191.14374	19.7
198.39433	2.4
207.10297	13.3
209.11841	65.0
210.12195	6.2
211.13461	2.6
211.74673	2.5
215.75816	2.9
225.11273	7.4
229.18169	3.0
231.10046	56.8
233.11504	3.5
245.19110	35.4
246.19514	5.6
271.17078	3.8
289.18115	100.0
290.18427	9.8
307.19171	50.0
308.19589	5.6
317.17288	7.7
329.17422	14.4
330.17508	2.8
389.19327	12.8
389.27216	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	389.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
59.01385	34.1
61.98818	3.9
71.01385	7.6
71.57529	3.6
96.96021	2.8
97.06579	5.8
123.04481	3.2
131.88741	2.4
132.02168	7.7
133.02969	11.8
134.03773	26.8
135.04568	17.9
137.02489	5.8
137.06152	2.5
148.05322	9.2
151.11345	2.6
160.01691	48.8
161.02344	7.1
165.12842	9.7
165.62938	2.5
175.01524	9.7
175.04025	100.0
176.04286	7.3
179.03496	10.4
181.12358	8.5
191.10733	5.8
193.05031	17.7
195.14081	4.0
209.11813	29.7
213.14995	11.3
231.10083	4.6
233.11603	4.1
245.19096	6.3
248.10420	8.3
289.18158	5.5
300.99698	2.8
305.17737	6.3
307.19159	9.3
308.19531	3.5
317.25421	2.7
329.17239	3.7
345.24097	3.2
357.17361	3.5
372.22940	8.5
389.19650	56.6
389.27060	28.1
390.20135	4.8
390.24014	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.2
57.03442	5.5
57.50792	0.7
58.00596	3.3
59.01388	84.0
60.01728	1.6
60.47844	0.6
69.03459	1.4
71.01391	100.0
72.01723	1.7
72.99298	3.9
73.02955	28.5
74.03289	0.6
75.00876	1.9
83.01388	13.5
85.02962	44.3
87.00885	6.0
89.02454	42.4
90.02781	0.8
93.03458	4.7
94.03825	0.9
95.01408	6.8
96.77581	0.7
97.02974	2.1
98.20661	2.2
99.00893	10.0
99.04536	0.9
101.02457	78.6
101.55125	0.7
102.02797	1.9
111.00919	1.5
113.02467	39.9
114.02808	1.5
119.03516	20.2
125.02423	2.4
129.01947	2.0
131.03531	2.0
137.02452	5.3
137.79941	0.6
138.02827	2.2
139.02951	1.9
141.01944	0.8
143.03505	7.1
145.06598	1.5
147.11826	3.5
149.04590	2.1
159.03008	9.6
161.04579	40.0
162.04926	1.3
174.81749	0.9
179.05646	5.8
205.03603	1.1
209.11876	1.7
227.16537	3.2
229.57162	1.0
250.56522	0.7
251.06520	1.0
267.00858	0.7
351.82156	0.7
389.21915	70.5
390.22324	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	389.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98893	0.5
54.55059	0.5
55.01884	4.7
57.03460	4.1
58.00595	3.2
59.01384	100.0
60.01720	0.8
67.01891	0.6
69.03477	0.6
69.56952	0.5
70.88736	1.2
71.01388	78.8
72.01727	1.4
72.99322	3.3
73.02954	18.7
75.00872	0.9
83.01398	9.3
83.36437	0.5
85.02959	29.8
86.00105	0.9
87.00886	4.6
89.02452	46.8
90.02736	0.6
93.03465	3.3
94.03816	0.6
95.01386	4.9
97.02962	1.3
99.00892	7.2
101.02454	58.7
102.02748	1.2
110.16460	0.5
111.00898	2.4
113.02459	33.1
114.02781	1.1
115.03969	0.6
119.03510	25.7
125.02464	1.8
129.01956	1.1
131.03552	2.9
135.04561	0.6
136.18315	0.5
137.02446	3.9
138.02789	1.2
139.02927	1.1
143.03516	5.0
147.11818	1.6
149.04587	2.3
149.09702	2.1
157.40878	0.5
159.03015	4.8
161.04568	26.5
162.04901	1.5
170.04855	0.5
173.04510	0.9
179.05624	7.8
179.07043	0.9
191.05579	1.0
221.06721	0.7
227.16580	1.3
239.15977	0.6
251.06673	0.8
389.21860	56.7
390.22198	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	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43474	47.5
55.37390	49.1
56.23367	45.2
59.01375	78.4
65.36730	53.5
68.97720	51.4
99.01356	58.3
130.08235	61.4
134.43275	63.8
200.41077	54.8
345.28287	62.9
386.64523	54.4
389.30997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95455	13.1
67.43937	14.6
69.52377	100.0
71.10072	14.4
76.03587	16.2
81.08860	12.6
82.20142	13.7
94.40841	13.5
98.20603	32.8
100.82151	15.0
105.21272	13.9
224.04524	14.6
272.94067	17.1
376.47009	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	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07536	3.3
59.01388	100.0
68.75359	3.1
69.72767	19.1
75.99984	3.0
116.05460	3.3
125.09605	3.5
140.96361	3.5
141.47171	3.3
213.53790	3.2
351.85959	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	390.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53826	1.3
52.69963	1.6
56.68519	1.2
56.89681	1.2
56.98039	18.9
57.03420	1.6
58.00602	2.2
58.99612	41.3
59.01387	72.6
60.01723	1.4
66.03492	11.6
68.05058	6.0
71.01392	45.4
71.56420	1.6
72.99299	2.8
73.02959	4.7
83.01379	2.0
85.02953	13.9
87.00876	4.1
89.02455	58.0
92.05073	2.1
93.03460	4.1
94.02998	35.1
95.01401	3.1
99.00863	2.2
99.92606	7.8
101.02454	23.9
103.83568	1.3
108.04559	9.1
109.03024	1.7
110.02484	3.8
111.00850	1.8
112.04047	6.2
113.02457	18.4
115.92088	2.5
119.03521	19.6
121.02927	2.2
124.04055	1.6
131.03502	1.7
132.04556	4.6
134.03738	3.0
135.04535	4.9
136.04036	4.5
137.02406	1.6
140.05441	22.3
141.05672	2.5
143.03519	5.0
149.02486	2.4
149.04489	2.6
154.05151	1.4
161.02470	1.7
161.04543	7.4
166.03340	100.0
167.03685	8.4
173.04567	4.3
179.03467	2.9
179.05627	16.9
184.04399	8.1
191.05663	4.3
196.54117	1.5
215.95229	2.3
216.96027	16.1
218.97528	4.0
220.95578	2.5
226.05493	2.8
243.94685	2.3
244.95399	8.6
260.95068	1.7
261.95706	2.2
262.96585	7.2
284.98712	2.0
304.97668	4.9
373.00174	4.3
390.08701	28.0
390.18347	3.5
391.01221	27.2
391.09201	3.4
391.16089	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.5
61.98835	100.0
64.63126	3.4
68.45936	3.5
69.48092	22.0
72.78690	3.0
77.47163	3.5
99.88471	3.8
109.12122	3.5
132.25307	4.0
391.96829	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
61.98837	100.0
64.47289	1.4
70.77827	2.9
79.95748	3.0
95.95232	1.4
96.96013	11.8
118.91458	1.4
140.97984	1.4
171.10443	1.3
206.07832	1.5
206.30836	1.6
238.55116	1.7
254.81902	1.3
293.12564	1.4
299.09821	1.3
390.16891	3.9
391.17969	3.0
391.24780	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	390.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29649	0.9
59.01386	100.0
60.01700	1.9
61.98820	1.1
69.72437	5.7
71.01407	1.8
104.96140	0.9
161.77710	0.9
222.08765	1.9
236.10355	2.7
260.85861	1.0
309.20801	7.4
313.17755	1.6
330.30090	1.3
331.18787	5.9
347.25797	1.9
366.89276	1.0
391.24820	2.6
414.82068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33971	0.5
57.03453	1.3
58.00608	0.6
59.01387	100.0
60.01720	1.6
68.99845	0.5
71.01395	9.9
71.58622	0.6
73.02959	2.3
74.99132	0.9
75.00904	1.0
83.01382	1.3
84.58317	0.5
85.02972	4.4
87.00905	2.0
87.04529	1.6
89.02449	9.9
93.03493	1.4
95.01390	0.7
96.96047	3.3
99.00883	0.7
101.00643	0.7
101.02451	7.2
113.02465	4.7
119.01756	3.0
119.03508	3.8
122.56891	0.6
122.96751	0.5
125.02450	0.6
135.04552	0.8
143.03520	0.8
149.02477	0.6
155.10735	1.3
161.04622	1.5
171.39105	0.6
173.04567	1.7
175.00449	0.6
179.03580	0.6
179.05632	1.6
186.06915	1.1
190.02771	1.0
191.05649	0.9
199.09818	1.3
205.05342	0.8
229.14589	0.7
229.18253	0.6
303.16437	1.8
303.37518	0.7
327.05215	1.0
357.14728	1.2
362.08563	0.7
364.43530	0.6
365.12537	0.8
391.19498	15.5
391.23352	1.5
392.20114	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72682	1.2
59.01387	100.0
60.01720	2.4
69.03458	1.3
69.59396	7.7
71.01004	2.5
71.01389	43.4
72.30172	1.1
72.99317	1.7
73.02954	53.3
74.02483	2.3
74.03297	1.1
79.95741	3.0
80.96519	1.7
83.01391	17.2
85.02956	4.3
87.00888	1.9
89.02448	8.8
95.01347	1.5
96.03969	1.2
96.95982	3.1
97.02976	1.6
99.00901	1.6
101.02453	51.3
107.49678	1.1
113.02470	8.1
119.03500	2.6
123.68831	1.2
125.02472	3.3
131.03505	3.7
138.08351	1.2
143.03508	3.9
145.02994	1.4
149.04636	1.6
155.03461	1.6
161.04547	7.3
169.12357	3.7
173.04778	1.6
187.13474	2.1
191.05614	1.5
230.52077	1.2
271.90948	1.3
275.09262	1.5
347.47360	1.4
349.18854	6.0
350.18762	1.3
375.13748	1.7
391.19763	35.1
391.27698	3.0
392.20215	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
58.00602	0.8
59.01387	100.0
60.01730	1.1
70.37070	1.3
70.37455	1.1
71.01395	7.6
72.99302	0.6
73.01157	0.8
73.02978	1.7
74.99115	0.6
75.63888	0.6
83.01400	1.1
84.32677	0.6
85.02955	3.3
87.00919	0.8
89.02455	9.1
91.49747	0.7
93.03516	0.6
99.04536	1.0
99.10330	0.6
101.02464	4.8
111.00941	0.9
113.02457	3.9
119.03526	3.5
120.03814	0.8
130.08775	1.0
130.92606	0.6
132.26422	0.6
135.04567	1.1
143.03564	1.4
161.04527	3.9
172.49771	0.7
172.87527	0.6
173.04617	1.0
179.05659	2.2
190.82950	0.5
211.13445	1.1
229.14561	2.4
243.12434	0.9
331.17767	1.9
349.18314	1.3
373.18610	0.7
391.19821	7.3
391.23874	0.6
392.19946	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01729	1.1
70.85913	0.7
70.86244	0.8
71.01393	1.4
74.02489	0.5
75.00873	0.5
76.09238	0.5
78.95908	1.0
79.95759	1.4
80.96517	0.9
85.02946	1.0
89.02464	0.5
90.90594	0.4
96.96033	1.3
101.02460	0.9
111.04519	0.7
156.25613	0.5
195.13950	0.6
205.12508	0.5
223.13412	4.0
247.12752	0.5
302.97107	0.5
375.14017	0.7
391.21924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03439	2.9
59.01386	100.0
60.01726	1.1
71.01388	31.8
72.99329	2.7
73.02959	9.9
75.00887	3.7
79.95775	1.1
83.01405	3.5
85.02959	16.5
87.00887	7.8
87.04543	1.3
89.02454	16.0
93.03468	3.6
95.01401	3.1
96.96018	2.0
98.19919	1.8
99.00883	3.2
101.02457	20.1
111.00931	1.0
113.02460	14.9
119.03522	8.2
119.05035	1.1
121.02837	1.2
125.02446	0.9
135.04538	3.4
135.05525	0.8
141.09232	26.4
143.03482	1.8
153.12909	1.0
159.03027	1.9
161.04561	9.4
169.12328	1.8
173.04565	5.4
178.93895	0.8
179.03572	1.4
179.05611	1.6
191.05627	3.3
209.02989	0.8
249.06123	2.9
331.17636	5.1
349.18762	9.5
391.15939	12.5
391.27209	11.4
392.16391	2.1
392.27521	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	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.4
59.01384	20.3
59.75858	0.9
64.52994	1.1
65.05824	1.0
71.01381	1.3
71.56506	1.5
75.00882	8.0
76.61125	1.0
78.95900	1.8
80.02686	1.9
81.03453	1.3
83.05035	7.4
84.02186	3.1
93.03465	1.5
95.05042	5.1
96.96008	3.2
97.18598	1.1
99.08129	1.3
104.52351	1.0
109.06600	1.9
109.68026	1.1
113.09539	1.0
119.05031	2.5
121.10255	7.5
123.04552	1.3
125.09684	1.7
137.09735	13.4
139.11305	4.2
150.20815	1.0
151.11325	1.0
153.09210	2.4
155.10797	8.9
165.12955	1.7
171.10292	21.7
174.99216	2.4
193.08426	4.7
193.12367	3.4
207.10001	3.0
211.13377	1.7
233.11610	2.2
247.20560	2.6
263.20105	2.2
265.03894	2.6
265.21594	1.4
269.07068	7.4
275.20154	17.6
276.20609	1.1
279.05490	1.3
291.19659	15.5
292.19910	1.3
293.21249	15.3
294.21527	1.6
309.20731	26.1
310.21176	3.5
313.17969	1.4
319.18921	2.7
331.18945	28.9
332.19104	2.9
347.25931	60.8
348.26257	9.4
354.09888	4.9
373.19983	1.3
373.23959	11.0
391.18042	33.3
391.24875	100.0
392.18411	3.0
392.25198	16.8
413.85599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46519	5.1
59.01389	38.5
70.93457	4.7
71.55742	9.9
78.95898	5.8
80.03961	5.0
89.02472	7.5
96.96013	17.2
98.11379	4.8
101.16830	5.1
106.30096	6.7
119.05034	14.2
127.82261	5.5
152.99606	11.4
162.46013	5.3
171.86198	5.5
183.88690	6.3
199.82269	5.4
255.23331	100.0
256.23651	8.1
260.68195	5.2
390.70291	7.4
391.32449	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	391.2828
Annotation	3alpha,7beta-Dihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
56.03360	0.4
59.01387	5.1
61.43045	0.4
65.46214	0.5
67.64211	0.5
69.14494	0.4
70.96567	0.5
70.96894	0.9
75.55766	0.4
78.95903	0.8
80.96509	0.5
87.07462	0.5
95.31022	0.4
96.96015	1.2
119.05034	1.3
120.28965	0.5
130.08723	1.1
152.99605	1.7
176.66129	0.4
177.84761	0.4
225.34181	0.4
255.23277	6.7
262.14517	0.5
262.38068	0.5
295.26465	2.0
321.28278	0.6
323.29578	16.2
324.29959	2.0
341.24640	1.9
343.26328	2.7
347.22092	0.8
363.28574	1.1
373.23242	0.8
373.27435	0.6
375.25092	5.8
391.28326	100.0
392.28632	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	391.286
Annotation	Isochenodeoxycholate
Peak:m/z	Relative Intensity
57.03445	1.3
59.01388	17.7
61.98843	1.1
68.81782	0.6
69.03450	4.2
69.45609	1.3
69.46022	4.2
71.05032	1.1
72.91901	0.6
79.95752	7.8
80.96553	1.4
95.05024	0.6
95.95271	2.2
96.32579	0.6
96.96026	51.5
97.02981	1.4
120.52562	0.7
125.09693	0.8
126.70973	0.9
139.11304	1.2
168.26877	0.6
211.13492	1.0
231.47935	0.9
262.28149	0.7
268.35626	0.8
293.21301	2.3
311.22403	2.5
313.21774	0.9
315.23276	1.2
327.27017	0.7
328.28470	0.9
329.24878	5.7
330.25253	1.0
331.26437	23.3
332.26758	3.6
347.25848	2.4
347.29739	4.6
348.30136	0.9
373.27533	28.9
374.27899	4.6
375.25388	2.2
391.17969	25.6
391.25223	6.1
391.28711	100.0
392.18530	3.6
392.24518	1.7
392.29028	16.4
397.20349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	89.3
59.19737	7.1
61.98842	100.0
71.01398	15.9
71.58181	11.2
71.58555	8.9
74.02489	9.4
77.34492	6.9
78.95909	8.8
96.95994	14.8
101.02471	9.1
204.80804	8.8
233.30278	8.3
295.18848	8.4
379.71558	8.3
391.28354	8.2
393.23221	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18421	1.7
59.01380	6.0
61.98835	100.0
69.28345	14.1
73.00822	1.7
82.45972	1.7
107.12843	2.0
118.33723	1.7
238.17807	1.9
351.36423	1.7
393.22766	6.4
393.27011	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	393.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46977	0.4
53.17640	0.5
57.03436	0.6
59.01385	12.9
61.98831	0.6
71.01395	2.8
71.55990	0.8
73.02964	1.6
83.01416	0.9
85.02964	2.0
89.02465	1.7
93.03474	0.9
96.96028	0.8
97.03035	0.5
99.00880	0.9
101.02467	2.2
104.92517	0.5
108.02203	1.2
109.02969	69.1
110.03274	2.4
111.00944	0.5
113.02473	1.8
119.05042	2.1
121.02973	1.9
123.04533	2.1
127.29877	0.5
129.03526	2.4
131.05061	0.9
133.02931	0.5
135.04518	1.9
137.02486	1.0
145.02989	1.6
146.03758	2.4
147.04543	24.4
148.04945	1.4
158.03777	2.4
158.62181	0.5
159.04535	100.0
160.04897	6.3
161.04596	0.9
161.05910	0.7
173.04648	1.0
175.04002	1.4
191.05673	0.9
209.11852	5.0
219.16867	0.5
227.12950	0.5
241.28867	0.5
245.03447	0.5
252.07974	1.8
253.08226	0.6
268.07431	1.2
269.08224	41.6
270.08499	4.1
302.38754	0.5
313.07254	0.6
351.19934	0.7
357.06201	9.1
358.06805	1.2
392.27774	0.7
393.04126	1.0
393.21191	2.3
406.27261	0.5
411.89612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39154	1.1
57.03446	3.2
58.00591	1.8
59.01385	34.5
61.98814	1.4
68.99822	1.3
69.03394	1.2
69.38011	2.7
69.38428	7.3
71.01389	27.4
71.07088	1.1
72.99316	7.7
73.02940	3.8
74.02495	1.6
75.00481	1.6
75.00881	26.8
78.95883	1.2
82.15980	1.2
83.01407	2.9
85.02959	22.3
87.00879	10.1
89.02459	12.8
93.03456	3.1
95.01395	6.7
96.96065	1.3
98.20699	2.7
99.00884	10.7
99.08153	4.3
101.02477	5.9
103.00362	1.9
107.05029	3.1
111.00870	2.5
113.02467	32.2
115.00365	1.6
117.01931	4.5
119.03484	2.0
129.01910	2.7
131.03441	1.5
134.03740	2.7
135.04517	4.7
136.77763	1.2
143.07155	64.7
144.07471	2.8
147.04536	1.9
161.04565	2.2
162.03230	4.8
165.05569	2.9
173.04585	1.6
175.02420	3.3
175.03937	2.0
176.01791	1.6
177.05597	13.7
191.05646	2.9
205.07079	1.7
219.02985	2.8
231.04987	2.6
243.02974	2.5
249.06168	31.9
250.06464	2.0
261.03928	2.3
267.07224	16.1
299.25970	1.3
301.10892	2.6
333.15485	2.6
336.09653	1.3
375.12875	3.0
393.13931	100.0
394.14417	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	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19673	1.2
50.55537	1.2
59.01387	100.0
71.01392	20.2
71.46866	1.8
71.47195	1.3
73.02952	5.0
83.01388	3.1
85.02972	8.4
89.02441	1.7
95.01408	1.7
96.96014	1.2
99.00892	3.1
101.02447	11.7
108.02156	2.0
109.03005	2.4
113.02467	9.6
123.00884	8.0
124.01716	7.1
125.02462	14.4
131.78181	1.2
138.03242	6.4
139.04053	11.4
143.03554	1.5
159.02986	2.3
161.04593	32.4
181.05046	1.8
238.40700	1.1
245.23430	1.3
269.06528	1.3
301.09164	3.2
393.13858	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03460	1.4
58.00598	2.2
58.77430	0.5
59.01385	100.0
59.74535	0.6
60.01726	1.2
60.09938	0.6
69.37774	4.9
71.01389	53.8
72.78920	0.6
72.99320	3.0
73.02959	7.8
75.00876	3.2
83.01395	3.4
83.01842	0.6
84.02162	0.7
84.83607	0.6
85.02960	12.7
87.00901	2.5
89.02453	77.3
90.02797	1.2
95.01412	2.8
97.02995	1.0
98.19770	0.7
99.00900	2.0
101.02453	30.0
101.20688	0.6
101.38853	0.6
102.02825	1.0
113.02462	18.6
115.04102	0.8
119.03513	18.1
120.03868	0.9
125.02473	2.1
131.03516	12.9
143.03485	3.9
143.10808	0.7
149.04567	20.9
161.04564	6.2
164.11177	0.6
179.05640	10.3
189.15048	2.2
191.05647	5.9
261.13461	2.1
333.19266	2.7
351.20245	9.4
393.17349	1.2
393.20267	1.8
393.25128	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.09833	0.5
57.03458	1.2
57.15948	0.5
58.00594	1.2
58.93060	0.5
59.01385	100.0
60.01736	0.7
62.20615	0.5
62.53978	0.5
69.14234	0.6
69.38748	4.4
71.01392	33.0
72.01730	1.0
72.99320	1.5
73.02955	5.9
75.00893	2.2
78.71763	0.5
83.01412	3.3
85.02961	11.1
87.00903	1.4
89.02456	31.7
90.02789	0.8
95.01420	1.9
96.96059	0.6
97.03001	0.6
99.00898	1.5
101.02454	20.3
103.20468	0.5
113.02470	13.1
119.03505	7.3
125.02427	0.9
131.03513	4.2
143.03560	2.3
143.10808	0.9
149.04579	7.8
157.54141	0.6
159.03067	0.9
161.04564	5.2
175.04088	0.6
179.05659	4.5
189.14970	5.5
191.05673	1.8
196.62521	0.5
231.28249	0.5
261.13510	0.8
300.75430	0.5
333.19171	5.2
351.20276	18.7
352.20551	1.4
364.61392	0.6
393.12961	0.7
393.17328	1.0
393.25085	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.09833	0.5
57.03458	1.2
57.15948	0.5
58.00594	1.2
58.93060	0.5
59.01385	100.0
60.01736	0.7
62.20615	0.5
62.53978	0.5
69.14234	0.6
69.38748	4.4
71.01392	33.0
72.01730	1.0
72.99320	1.5
73.02955	5.9
75.00893	2.2
78.71763	0.5
83.01412	3.3
85.02961	11.1
87.00903	1.4
89.02456	31.7
90.02789	0.8
95.01420	1.9
96.96059	0.6
97.03001	0.6
99.00898	1.5
101.02454	20.3
103.20468	0.5
113.02470	13.1
119.03505	7.3
125.02427	0.9
131.03513	4.2
143.03560	2.3
143.10808	0.9
149.04579	7.8
157.54141	0.6
159.03067	0.9
161.04564	5.2
175.04088	0.6
179.05659	4.5
189.14970	5.5
191.05673	1.8
196.62521	0.5
231.28249	0.5
261.13510	0.8
300.75430	0.5
333.19171	5.2
351.20276	18.7
352.20551	1.4
364.61392	0.6
393.12961	0.7
393.17328	1.0
393.25085	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01682	1.1
71.01383	1.3
71.55963	1.4
79.95747	2.0
83.05007	0.7
85.02983	0.7
96.96030	2.5
101.02452	0.9
119.08417	0.7
119.63940	0.8
138.52325	0.7
234.17415	0.8
243.99030	0.8
260.97055	0.8
300.02664	0.8
347.21820	1.0
357.14258	1.0
393.18890	2.0
393.23203	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	1.5
61.98837	1.6
62.92511	0.9
71.01397	1.7
71.56248	1.0
79.95724	1.4
89.02462	0.9
91.77991	0.7
96.12910	0.8
96.96013	3.2
173.04825	0.8
208.88715	0.9
213.82216	0.8
251.69968	0.8
276.23328	1.0
330.82227	0.9
393.18939	1.8
393.23154	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	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.7
59.01383	22.1
61.98826	2.0
62.48298	1.5
67.09065	1.2
69.97340	2.5
69.97740	4.4
71.63197	1.2
93.03487	1.6
96.96012	3.9
99.92590	3.6
111.08181	1.7
113.09684	1.3
125.09725	3.4
127.11275	5.9
139.11304	30.0
140.11609	2.3
152.70093	1.3
155.10864	1.5
165.12863	1.6
171.10292	43.7
172.10635	2.3
179.10480	2.2
183.10202	2.8
185.11794	7.2
193.08508	13.2
197.11873	1.8
201.11337	8.3
207.10020	26.3
208.10355	1.7
211.08298	1.4
211.13420	3.2
219.09966	3.0
223.11917	2.1
233.11578	11.7
237.59348	1.4
247.20909	2.8
249.22214	1.6
253.09305	5.8
267.11038	2.0
275.59912	1.5
293.12543	2.1
293.21292	10.1
294.21530	1.5
311.22318	100.0
312.22653	11.1
315.19424	36.8
316.19794	5.0
333.16986	3.9
333.20502	27.5
334.20856	4.1
377.19644	6.7
380.13620	1.4
393.21469	14.4
393.26593	4.9
394.21732	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49109	0.9
59.01391	14.1
61.98836	6.3
69.03476	1.2
70.12734	3.1
72.99273	1.1
78.95915	1.0
90.21294	0.9
91.81654	1.2
93.03472	1.1
96.96042	3.7
97.00610	1.0
97.02953	2.5
98.20629	1.4
99.92612	1.0
111.08149	1.1
113.09740	3.7
119.98418	1.0
125.09751	2.0
136.08980	1.0
137.09789	1.2
139.11304	6.8
154.09966	2.2
155.10754	2.0
169.01491	1.3
171.10342	9.3
177.12895	2.7
193.08492	6.4
193.12306	2.4
195.13896	3.1
197.11844	1.2
207.10124	1.7
211.13406	2.9
215.10609	3.2
219.10033	4.7
233.11653	7.6
237.22305	1.3
244.10880	1.8
249.22214	4.2
258.12375	1.6
262.11932	9.5
291.14722	1.1
293.21249	51.2
294.21399	6.1
305.20508	1.4
311.22311	100.0
312.22650	10.5
315.19427	8.8
317.28192	1.2
333.20477	91.8
334.20831	10.4
393.22275	8.0
393.26797	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	393.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01105	1.6
59.01385	26.5
61.98838	32.9
67.01921	0.9
69.03473	1.0
70.08623	0.9
71.01414	1.1
71.57422	1.9
83.05026	1.2
84.10303	0.9
85.02969	1.0
96.96016	4.1
97.02953	3.9
97.06567	1.4
99.08154	3.2
99.92603	1.3
108.19119	1.0
108.90950	0.9
113.09734	5.4
121.10220	1.9
123.08126	0.9
125.09726	2.4
125.36182	0.9
127.11316	1.8
137.09711	2.6
139.10214	1.5
139.11308	31.8
140.11678	2.0
155.10754	1.6
165.12897	4.2
167.10774	2.2
168.72935	1.0
169.01408	1.0
171.10280	25.6
172.10616	1.9
177.23343	1.1
185.11900	1.4
193.08467	15.4
207.10054	13.5
211.13403	3.5
215.10529	4.1
219.09993	1.7
233.11601	27.5
234.11954	1.9
248.10318	1.3
249.22211	2.5
259.09521	2.7
262.12070	1.0
265.21854	1.0
275.20206	1.1
293.12445	1.8
293.21262	26.7
294.21637	4.3
309.20560	1.5
311.22314	100.0
312.22610	13.0
315.19287	4.6
333.20532	34.3
334.20612	4.0
356.54749	0.9
377.19577	2.9
393.22256	12.7
393.26733	2.0
394.22696	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.4
59.01383	22.2
61.98833	20.9
69.03468	0.9
71.01421	1.0
75.33207	0.9
88.08587	0.9
96.96029	3.2
97.02948	1.8
99.08174	1.1
99.92599	0.9
111.07017	0.9
111.08168	1.3
113.09760	3.2
121.10278	1.1
125.09705	2.3
125.62570	0.9
127.11311	2.0
129.09221	1.5
139.11302	20.2
140.11658	1.1
141.81366	0.8
147.11800	1.5
151.11198	1.1
155.10838	1.9
165.12871	2.8
167.10753	1.2
171.08804	1.5
171.10281	24.6
171.11705	1.7
172.10631	2.0
179.10995	0.9
181.12343	1.7
183.10281	1.9
183.13863	1.2
185.11845	5.0
191.14505	0.9
193.08466	31.0
193.12320	3.7
194.08698	2.3
197.11868	3.9
199.13365	1.5
201.11333	2.4
207.10121	1.4
211.13509	6.2
215.10498	3.0
233.11588	32.6
234.11943	2.8
249.13405	1.1
251.11324	1.3
253.09265	2.9
275.20035	1.1
293.12521	3.4
293.21283	15.3
294.12677	1.3
294.21609	2.6
311.22308	100.0
312.22583	11.0
315.19446	5.8
333.20508	6.0
334.20694	0.9
349.23831	1.1
377.19476	1.3
393.22342	15.3
393.26788	2.8
394.22470	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	394.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56100	0.4
58.78218	0.3
59.01386	7.4
61.98846	1.3
71.01392	1.7
71.55891	0.5
73.02974	0.5
76.94375	0.3
85.02988	1.1
87.00912	0.4
89.02453	0.9
93.03491	0.6
96.96033	0.8
101.02460	1.0
113.02455	0.6
135.04550	0.9
135.70993	0.4
146.02560	0.8
147.03296	1.2
148.52199	0.3
161.04640	0.6
167.02168	2.3
173.04565	1.0
174.02028	0.7
175.02763	100.0
176.03096	5.1
179.03505	0.6
190.05116	75.2
191.05487	4.6
218.05771	0.4
239.50687	0.4
247.09668	0.4
275.09207	1.3
331.99091	0.4
334.12964	0.5
394.11450	2.3
395.13483	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	394.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55886	0.5
52.51971	0.7
55.01887	0.9
57.03448	1.4
58.00583	0.8
59.01387	32.5
65.70737	0.6
69.71926	3.1
71.01391	39.6
72.00411	0.9
72.00896	0.9
72.01720	1.4
72.99310	2.6
73.02576	0.7
73.02936	3.2
74.02494	1.4
75.00874	5.3
80.78860	0.7
83.01389	1.8
83.45262	0.6
85.02962	7.4
85.06603	12.8
87.00893	2.8
88.04050	4.7
89.02458	13.3
93.03464	1.4
95.01397	2.1
98.19893	1.0
99.00888	2.8
99.04511	0.8
99.08171	2.2
101.02457	10.9
101.04317	6.7
102.98637	1.5
113.02451	9.1
113.06097	1.8
116.03527	1.0
119.03495	4.7
122.37079	0.7
130.08751	0.9
133.02965	1.0
134.03737	1.0
135.04538	9.1
142.08774	2.4
143.07210	1.5
145.03325	1.5
145.08725	8.7
155.03642	0.8
160.09808	45.0
161.02451	2.3
161.04559	1.5
161.10117	1.6
166.06046	1.0
173.04584	2.0
175.04097	0.7
179.03548	7.8
191.05656	2.1
214.10982	1.2
227.50742	0.7
229.16426	0.8
232.11850	0.8
233.06706	1.5
249.06229	2.7
267.07285	0.8
271.18262	0.8
277.13068	0.6
278.95837	0.6
283.05188	0.7
322.15103	6.6
335.17206	1.5
376.16165	2.1
394.17264	100.0
394.28079	2.1
395.09940	4.9
395.16229	9.8
395.23288	1.4
395.28082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77131	0.6
57.03462	1.2
59.01387	2.5
61.98838	100.0
65.64590	0.8
78.95934	0.7
79.95736	0.9
90.43080	0.7
94.23052	0.7
96.96051	0.8
104.41348	0.7
127.71803	0.8
139.11269	3.2
140.11659	1.7
171.10316	2.5
172.10693	2.0
185.11911	0.8
193.08449	4.7
194.08812	3.4
227.04124	0.7
285.07156	2.0
294.21616	1.6
309.20859	1.2
311.22226	1.0
312.22623	8.0
312.25589	0.8
316.19934	0.9
331.19235	0.7
334.20718	0.7
359.90533	0.7
381.20032	0.7
394.18524	2.2
394.22885	1.0
395.24988	0.8
396.39841	0.7
401.66693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98836	100.0
69.28564	3.6
74.96326	0.4
79.95769	0.5
96.96030	1.8
97.02963	1.0
249.52840	0.5
291.19974	0.7
309.20871	1.0
394.18442	4.5
409.15262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.5
71.56392	1.9
78.95919	6.0
96.96024	6.2
101.74451	1.5
110.98544	2.3
139.34456	1.6
167.01140	2.9
174.06010	1.6
185.02116	1.5
187.73308	1.5
198.67757	1.4
227.20184	100.0
277.21790	3.6
305.07730	1.5
314.27713	2.5
394.22998	2.0
395.22101	7.3
395.27585	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	395.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01384	3.3
61.98838	0.5
64.67755	0.3
68.77679	0.3
69.70306	1.4
71.01392	2.3
73.02969	0.4
83.01369	0.5
85.02966	0.9
87.00872	0.3
89.02465	2.0
101.00795	0.3
101.02438	1.7
113.02521	0.5
115.02460	0.3
119.03489	0.6
131.03609	0.4
135.09187	0.4
144.04582	1.6
146.02496	0.7
147.03281	43.3
148.03645	1.7
149.04573	0.7
160.04051	1.0
161.04715	1.2
162.05605	1.1
173.04784	0.4
174.05611	1.1
177.99651	0.4
178.94339	0.3
179.05684	0.7
189.06747	0.6
191.08281	100.0
192.08630	6.1
233.12392	0.3
353.13165	0.4
395.15094	1.4
403.94589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98831	1.6
63.54797	1.0
66.49342	1.1
71.56001	1.8
78.95905	9.3
79.19130	0.8
81.07642	1.0
96.54120	1.2
109.93568	0.9
152.99596	12.4
179.68565	1.0
227.20168	1.2
277.21735	100.0
278.22083	11.9
280.54843	0.9
333.28342	1.1
395.28094	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	396.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02085	0.8
57.03434	1.2
59.01387	100.0
60.01711	1.8
61.98856	1.2
64.19650	0.8
68.01424	1.9
69.29006	7.0
71.01385	6.4
73.02951	1.4
74.04121	0.9
78.95922	2.4
83.01423	1.6
85.02972	3.7
87.00901	1.5
89.02423	2.1
93.03473	1.3
96.96967	2.3
101.02463	4.6
110.02532	1.0
113.02477	2.9
120.99673	1.2
122.69485	0.9
125.02511	1.2
129.40927	0.9
132.02118	1.1
133.02980	2.5
135.04605	2.1
137.00708	1.3
142.61427	0.9
147.04495	4.3
149.06137	1.6
152.99620	1.0
160.01675	2.7
161.04576	2.5
163.99377	5.3
165.00174	2.3
173.04552	2.4
188.05605	1.2
189.05487	0.9
191.05681	0.8
191.98866	6.5
192.99664	39.0
203.05574	1.5
219.90257	0.9
230.06702	3.6
264.15402	1.4
391.34674	1.1
397.06085	6.7
414.93549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04961	1.3
59.01388	100.0
61.98841	23.9
70.36252	1.3
74.02522	1.5
76.24883	1.3
79.63320	1.5
101.71156	1.4
108.02172	3.0
115.90269	1.3
125.15783	1.4
185.06477	1.6
191.93961	1.4
217.00238	1.9
229.81868	1.6
242.82767	1.3
315.11267	1.6
369.10965	1.7
371.50198	1.5
397.10925	8.9
397.25656	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	397.1145
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
55.01875	1.1
57.03447	1.8
58.00592	0.7
59.01387	12.1
61.98817	0.7
65.29812	0.5
67.01882	0.7
71.01393	17.8
71.56087	0.8
72.99304	1.2
73.02951	5.7
75.00880	0.7
76.07778	0.5
83.01389	3.2
85.02957	17.6
85.06616	0.7
86.03329	0.6
89.02463	3.1
93.03468	19.6
94.03826	0.8
95.01389	1.2
96.96056	0.7
98.00103	1.3
99.00896	10.6
101.02454	11.3
106.04258	0.9
108.02179	0.9
109.02934	0.8
111.00890	3.8
113.02455	6.5
119.03540	0.6
119.05014	0.8
123.04535	1.1
125.02459	0.8
129.01936	1.3
131.07155	2.1
132.05807	1.3
133.02945	0.8
134.03738	2.2
135.04523	1.1
137.02467	1.0
145.02940	0.8
145.06610	5.9
147.08173	100.0
148.08504	6.0
149.06117	1.6
155.03462	0.6
159.02953	0.7
161.04601	6.5
161.05997	0.9
163.04056	1.1
164.04768	0.9
173.04562	1.7
173.05962	0.9
175.04073	0.9
191.01993	0.8
191.03706	0.7
191.05589	3.5
191.07167	9.7
193.05080	1.8
205.05112	4.7
217.04913	0.7
223.06116	1.1
235.06137	23.5
236.06453	1.3
241.47743	0.6
265.12900	9.8
266.13248	0.7
337.18698	1.7
340.69830	0.7
353.12433	1.2
369.38730	0.6
397.11438	60.9
397.16910	3.9
398.11749	7.4
398.16861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56446	0.4
57.03447	0.7
59.01382	4.3
59.78945	0.5
61.98829	0.7
67.01895	5.4
67.25407	0.5
69.03453	1.0
71.01398	5.4
72.99297	0.7
73.02940	1.0
81.03480	1.1
83.01398	0.6
83.05033	1.5
85.02957	3.1
87.00882	0.8
89.02487	0.7
93.03468	33.1
94.03824	1.4
96.95992	0.5
101.02459	1.8
107.85509	0.4
108.02176	0.7
109.02959	1.6
109.35439	0.5
111.00906	4.4
111.04549	5.4
113.02470	1.1
120.61182	0.5
121.02949	2.6
127.04049	0.5
132.02193	0.8
134.03714	2.4
135.04568	0.6
137.02452	4.8
147.04538	1.4
149.02461	15.5
149.06161	0.7
150.02827	0.6
155.03519	5.2
155.80478	0.5
160.01674	2.1
163.02705	0.4
163.04027	0.8
164.04813	10.9
173.04562	100.0
174.04924	4.5
175.04018	2.5
178.02774	1.8
179.03467	0.6
191.05591	2.9
193.05058	3.0
223.06125	14.7
224.06476	1.0
230.11760	0.7
235.06406	0.6
262.02869	0.5
264.04214	0.5
281.04645	0.9
288.09262	1.1
324.06192	0.6
339.08789	2.1
397.11517	4.6
398.11951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56446	0.4
57.03447	0.7
59.01382	4.3
59.78945	0.5
61.98829	0.7
67.01895	5.4
67.25407	0.5
69.03453	1.0
71.01398	5.4
72.99297	0.7
73.02940	1.0
81.03480	1.1
83.01398	0.6
83.05033	1.5
85.02957	3.1
87.00882	0.8
89.02487	0.7
93.03468	33.1
94.03824	1.4
96.95992	0.5
101.02459	1.8
107.85509	0.4
108.02176	0.7
109.02959	1.6
109.35439	0.5
111.00906	4.4
111.04549	5.4
113.02470	1.1
120.61182	0.5
121.02949	2.6
127.04049	0.5
132.02193	0.8
134.03714	2.4
135.04568	0.6
137.02452	4.8
147.04538	1.4
149.02461	15.5
149.06161	0.7
150.02827	0.6
155.03519	5.2
155.80478	0.5
160.01674	2.1
163.02705	0.4
163.04027	0.8
164.04813	10.9
173.04562	100.0
174.04924	4.5
175.04018	2.5
178.02774	1.8
179.03467	0.6
191.05591	2.9
193.05058	3.0
223.06125	14.7
224.06476	1.0
230.11760	0.7
235.06406	0.6
262.02869	0.5
264.04214	0.5
281.04645	0.9
288.09262	1.1
324.06192	0.6
339.08789	2.1
397.11517	4.6
398.11951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1145
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
57.03455	1.1
59.01387	10.6
61.98825	1.2
67.01900	0.9
71.01382	5.6
71.55789	0.5
73.02947	1.6
74.99104	0.5
75.00879	1.0
81.03452	1.0
83.01384	1.1
83.05038	1.1
85.02964	6.8
87.00887	1.4
89.02447	3.7
93.03469	7.5
96.96013	1.7
99.00873	0.9
101.02451	3.3
101.06104	5.6
108.02195	0.9
108.04565	0.7
109.02935	1.2
111.00906	3.8
111.04546	4.0
113.02460	1.9
113.16381	0.6
115.07668	4.2
117.03492	0.8
117.05554	0.8
119.03526	1.4
119.05036	1.4
120.81850	0.6
120.99632	0.6
121.02967	11.0
122.06172	1.2
123.04484	0.6
124.07662	1.4
127.04071	1.0
129.01929	1.0
132.02179	2.6
133.02975	0.7
133.05101	1.0
134.03775	5.2
135.04500	2.0
137.02467	1.6
143.03484	0.9
147.04539	5.7
149.02458	72.9
149.06079	2.7
150.02831	3.8
151.06102	0.9
155.03523	4.8
161.02429	0.9
161.04535	1.1
162.01950	0.7
163.04031	1.7
164.04808	54.4
165.05145	3.5
168.06706	1.1
173.00903	1.1
173.04572	11.7
173.06038	1.3
175.03999	1.4
177.01959	1.5
178.01184	0.5
178.02739	2.6
179.07133	3.8
191.01912	0.9
191.03877	1.2
191.05630	9.4
193.05075	8.3
194.05292	0.8
217.05167	3.8
217.06905	0.6
223.06136	100.0
224.06453	7.5
229.01317	0.6
245.09366	0.8
264.89847	0.6
264.92514	0.8
295.10477	1.1
335.12549	1.8
337.18619	1.7
397.11600	8.6
397.23645	0.9
398.07053	1.2
398.11874	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	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
57.03460	2.1
58.00586	6.2
59.01387	100.0
61.98838	5.0
68.48158	1.7
69.03473	6.5
71.01389	84.3
72.99305	5.9
73.02946	16.9
81.03477	3.1
83.01408	10.8
85.02964	17.9
87.00889	17.0
89.02452	71.7
91.04022	3.1
95.01407	7.9
97.02957	13.7
99.00887	6.2
101.02457	65.8
102.02802	2.2
103.04029	2.8
109.02927	2.0
111.04505	3.7
113.02465	26.1
119.03513	26.7
123.00875	2.1
125.02461	23.8
131.03491	3.5
133.05061	5.3
135.88223	1.6
139.04076	2.1
139.82625	1.7
141.01950	3.2
143.03563	9.6
148.17896	1.8
151.03870	1.9
152.99977	1.8
161.04546	12.4
165.44431	1.6
167.03557	2.5
169.05231	2.4
179.05635	6.9
191.51048	1.8
210.89316	1.8
217.07155	2.4
221.06737	2.6
235.08238	20.8
253.09302	3.0
254.43098	1.8
277.09143	2.4
287.07834	2.3
305.08859	3.0
319.72339	2.3
379.12360	3.1
395.64233	2.0
397.13528	71.6
397.25354	2.2
397.30521	2.1
398.13776	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	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56689	1.1
55.01886	5.5
57.03442	4.0
58.00597	4.4
59.01387	96.2
61.98824	2.0
67.01929	1.4
68.11700	1.2
68.99825	1.8
69.03461	6.5
71.01391	100.0
71.55865	2.2
72.01731	2.5
72.99318	7.8
73.02953	20.1
75.00874	1.7
81.03470	2.8
81.46589	1.0
83.01411	10.9
83.05035	2.1
85.02959	20.7
86.00105	1.4
87.00883	20.8
89.02455	75.5
90.02785	1.4
91.03992	1.9
95.01402	7.0
96.96038	1.5
97.02961	18.1
99.00899	6.6
101.02454	79.7
103.04020	1.8
108.63335	1.2
109.02983	1.3
111.00896	2.1
111.04520	4.3
113.02463	32.5
115.04020	3.0
119.03519	28.5
121.02970	2.7
125.02472	20.5
126.02828	1.5
131.03531	5.2
133.05083	6.6
137.02470	1.3
139.04016	2.4
143.03526	12.1
149.04547	3.1
161.04579	12.7
167.03577	1.5
169.05070	2.7
179.05676	5.3
185.04489	2.5
217.07158	3.1
221.06700	5.5
235.08261	23.4
235.10652	1.4
236.08522	2.2
236.10928	1.1
245.06706	1.6
253.09344	2.9
263.07828	2.3
277.09320	2.1
305.08890	1.3
322.52814	1.2
323.09674	1.7
323.22235	2.2
379.12534	1.6
397.13541	79.2
397.25916	6.5
397.30246	1.9
398.13806	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	397.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01385	100.0
60.01717	1.3
61.98838	0.8
69.22445	4.1
71.01392	4.0
73.02979	0.6
73.74550	0.4
83.01423	0.6
85.02969	1.4
87.00916	0.4
89.02465	1.0
93.03505	0.7
96.96014	0.8
99.00918	0.5
101.02458	1.4
108.02169	0.9
113.02457	1.0
120.99686	1.0
121.06664	0.4
152.01198	1.0
153.01958	0.6
161.02467	0.6
161.04610	0.6
173.04620	0.4
197.12001	0.4
255.05547	0.4
263.16626	0.7
284.96185	0.4
307.15723	0.7
315.07379	0.7
379.17838	1.0
397.18637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89571	1.3
57.03454	3.7
59.01389	26.2
71.01006	2.0
71.01393	38.2
72.01759	1.1
73.02957	6.5
83.01400	3.8
85.02966	21.7
87.00884	3.7
89.02454	21.6
95.01403	6.4
99.00865	2.9
99.04549	1.6
101.02447	15.0
107.05042	1.7
113.02457	29.5
116.04450	1.2
116.66826	1.2
119.03493	6.8
135.04547	25.7
143.03539	1.9
143.07790	1.3
161.04549	2.8
163.04031	97.5
164.04391	4.9
178.06374	86.2
179.06627	5.3
193.08720	100.0
194.09036	6.8
199.16473	1.2
229.22174	2.4
253.18141	2.8
279.40625	1.2
284.83575	1.7
301.79993	1.2
314.50977	1.5
397.22610	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	397.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04469	0.8
71.04999	1.0
71.39539	0.9
71.39897	1.1
79.95732	2.3
83.05032	0.8
96.96023	14.0
99.00880	3.1
103.21535	0.6
117.42938	0.6
126.32694	0.6
154.75043	0.7
174.22862	0.7
209.74039	0.9
245.60234	0.7
252.21944	0.7
279.26941	5.3
280.27213	1.1
309.31696	1.2
317.28436	3.1
335.29547	12.0
336.29837	1.4
351.29114	1.2
353.30637	12.4
354.31003	2.1
361.27496	27.4
362.27966	3.4
379.28540	22.9
380.29077	3.4
397.22717	15.1
397.29559	100.0
398.23734	1.3
398.29865	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	397.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
60.59970	0.9
61.65590	1.0
68.78329	0.8
73.04070	9.7
79.95710	2.9
96.65372	0.9
96.96018	20.6
98.20683	1.7
115.69447	0.9
121.41232	0.8
126.09170	0.9
127.66650	0.9
130.08752	67.8
131.09132	1.7
141.10318	1.4
143.11913	99.2
144.12234	3.7
187.10899	4.6
226.21809	2.2
229.45097	1.0
242.05519	1.1
243.31384	1.0
266.21277	5.9
267.68427	0.9
272.37119	0.9
335.29874	0.9
337.27463	1.4
353.31793	8.8
354.31900	1.4
397.22992	18.3
397.30573	100.0
398.22849	2.4
398.30835	13.5
410.33328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3326
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
57.03441	1.0
68.57539	0.3
70.88208	0.7
70.88548	0.3
72.42021	0.3
79.95693	0.3
81.50150	0.4
85.99608	0.3
95.83587	0.4
96.96008	0.6
141.39293	0.3
148.34673	0.4
307.29980	0.5
333.31641	1.1
335.33206	66.0
336.33542	9.6
353.34116	1.7
354.34567	0.5
379.32190	16.3
380.32422	2.6
397.33240	100.0
398.33566	16.4
398.38885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54033	1.1
57.37930	1.3
59.01369	3.7
62.01910	1.1
69.51372	8.8
69.93314	1.3
81.03754	1.2
82.84144	1.1
89.93917	1.2
96.96008	4.2
98.19889	2.0
99.92593	68.6
100.92603	4.6
106.90614	1.2
115.92098	13.1
116.92123	2.8
116.92867	13.7
118.89988	100.0
119.89986	5.0
134.89470	7.4
135.90265	18.8
136.90346	1.2
138.59891	1.1
140.79280	1.2
141.93588	1.7
150.88937	6.2
155.95186	1.4
281.24811	2.3
362.15506	16.6
363.15842	3.9
398.13211	62.2
399.13550	13.6
399.34769	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	398.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67601	0.7
59.01387	100.0
70.22668	0.9
71.01393	4.9
71.55785	0.9
72.99347	1.0
73.02971	4.8
78.95940	0.7
83.01402	0.9
83.05033	1.0
85.02950	2.6
87.00909	1.5
89.02452	1.1
93.03477	8.8
93.60643	0.8
101.02445	6.9
102.03262	0.7
103.22450	0.7
109.02978	1.1
111.00875	2.1
111.04539	1.9
112.54324	0.7
113.02483	1.9
116.05070	1.0
121.02938	0.9
125.04188	0.8
133.02953	1.0
134.03761	0.8
134.82298	0.8
135.04521	2.1
137.02481	8.7
150.06847	1.5
154.09544	0.9
155.03548	1.0
161.02469	1.9
172.08188	1.5
173.04561	6.7
177.09262	1.0
178.42392	0.8
179.03531	1.5
191.05609	6.0
194.07629	2.6
194.09351	1.6
195.10330	1.0
267.12411	0.9
283.13443	4.5
301.14581	1.6
306.26382	0.8
337.49734	0.8
345.17136	3.0
399.15030	2.8
399.20374	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	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
57.03453	15.9
59.01384	8.0
61.98837	9.3
67.01905	3.0
71.01397	10.7
72.98480	1.3
72.99318	4.8
73.02951	4.8
75.00863	2.2
77.21037	1.3
78.49754	1.1
81.03442	1.3
82.95167	1.2
83.01411	8.5
83.05042	1.4
84.02181	3.4
85.02959	100.0
86.03300	2.1
87.00877	5.1
89.02445	1.5
93.03465	4.5
96.96000	1.3
98.19878	3.3
99.00873	2.3
101.02469	7.6
108.02166	1.5
109.02962	1.7
111.00891	26.5
113.02451	2.1
117.03434	2.0
119.20103	1.5
121.02960	1.7
125.02425	2.7
129.01959	43.2
130.02284	1.7
133.02925	1.2
134.03770	11.4
135.04546	7.1
137.02460	3.1
149.02399	3.5
149.06102	1.9
160.01677	1.5
161.04610	2.2
162.03230	4.1
163.03812	1.4
173.04588	10.0
175.04007	1.5
175.11293	1.3
176.75490	1.2
177.05594	5.1
178.02739	1.7
179.03487	4.8
180.04259	2.9
181.05055	2.5
187.02451	1.7
191.05659	16.9
193.05084	9.4
195.06673	5.4
204.10080	1.3
205.03520	22.6
206.03845	1.3
221.00992	1.8
223.04581	17.6
225.04057	1.4
227.22354	1.2
230.55411	1.4
246.67664	1.3
271.09842	1.2
399.09308	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03460	2.7
59.01387	23.7
66.48338	0.7
69.40766	5.5
71.01393	24.1
72.99330	1.1
73.02962	7.5
75.00898	0.9
83.01396	5.8
85.02967	17.4
87.00914	1.6
89.02449	7.2
93.03466	4.8
95.01382	1.3
99.00900	3.8
101.02460	21.3
105.03481	1.1
111.00937	1.2
113.02460	9.5
117.03503	1.1
119.03526	2.6
121.02969	3.3
125.02437	0.7
129.01984	2.3
129.67767	0.7
132.02180	17.4
133.02980	4.8
134.03763	18.1
134.56590	0.7
135.04543	2.1
137.02464	2.7
143.03514	1.3
144.98378	0.7
149.06123	2.7
159.03000	1.8
160.01678	75.5
160.08942	1.9
161.02052	4.1
161.04588	11.7
162.03172	0.8
162.04817	1.0
165.02109	0.7
173.00865	0.8
173.04575	5.0
175.04022	100.0
175.11244	2.8
176.04352	6.0
176.11504	0.7
177.02036	1.1
178.02686	0.8
179.03476	2.1
179.05692	0.9
184.84467	0.8
191.01965	2.1
191.05632	8.3
193.03340	1.4
193.05087	20.6
194.05554	1.1
199.00713	0.8
213.30450	0.7
219.10257	4.4
223.04581	1.1
251.11400	31.8
251.14034	1.7
252.11778	2.9
261.07578	1.2
384.10574	1.8
399.12930	65.6
400.13208	6.3
421.57645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
55.01880	3.1
57.03464	2.4
59.01108	2.2
59.01388	27.4
65.67470	1.1
66.71279	1.0
70.75650	1.0
70.93861	1.2
71.01389	43.0
71.58045	1.3
72.99300	2.6
73.02951	12.0
75.00878	1.6
83.01394	7.2
84.86762	1.1
85.02958	19.4
87.00886	1.9
89.02451	11.7
93.03459	3.7
95.01412	2.9
97.02943	1.7
99.00891	5.8
101.02452	34.4
109.02953	2.8
111.00900	4.3
111.04561	1.5
112.60569	1.1
113.02470	20.8
114.01971	2.1
119.03487	3.7
119.05009	1.9
120.99678	1.5
125.02399	1.2
131.03470	1.6
133.02975	33.7
134.03384	1.4
135.04559	7.9
137.02428	1.7
143.03497	1.6
145.02971	1.7
152.41827	1.1
155.03529	1.3
159.03062	5.2
161.02466	100.0
161.04503	28.6
162.02817	4.4
162.04938	1.9
163.04054	2.3
173.04553	6.6
175.03981	1.6
175.11258	1.8
179.03508	4.3
180.04224	2.1
191.05612	9.9
195.06662	1.5
205.03502	1.2
219.10257	3.5
230.04012	3.0
251.11378	69.3
252.11694	4.8
281.08765	1.6
285.04123	3.6
290.06250	4.0
297.03992	3.1
298.04703	3.7
327.05106	3.4
339.05191	1.6
381.06253	1.8
399.07281	13.6
399.12912	60.8
400.13342	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	399.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98039	1.5
57.36513	0.8
59.01380	7.8
59.14056	0.8
63.96237	4.6
65.49937	0.9
66.34420	0.7
68.01128	0.7
70.12885	1.5
70.13270	1.9
71.01389	4.9
72.99297	3.7
73.02953	1.4
73.98318	4.1
74.99106	100.0
75.99408	1.2
83.01400	1.8
85.02957	3.5
87.00878	5.0
89.02444	4.6
95.01398	0.8
96.96018	1.7
101.02457	4.7
101.04305	1.4
109.02971	1.4
113.02478	2.4
117.97318	3.1
119.03532	1.7
121.02974	26.7
122.03313	1.5
127.00458	0.6
129.01950	1.2
131.05367	0.8
135.98392	5.0
136.99161	99.7
137.99458	1.3
149.06328	2.0
161.04596	1.1
180.04317	1.4
195.06660	1.7
201.05623	4.0
202.05681	0.9
237.07773	1.0
248.05182	0.7
399.08780	1.4
399.13397	13.0
400.13635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
58.00609	1.1
58.54599	1.2
59.01394	10.8
62.72421	1.5
66.77334	1.4
70.21697	1.2
71.01377	9.9
71.05026	2.3
71.55747	1.3
73.02945	2.8
79.95770	1.4
80.02661	2.1
81.03436	1.5
83.05031	4.8
84.02161	2.5
84.60152	1.1
85.02965	3.9
89.02468	2.5
91.04017	3.6
93.03448	1.2
94.70853	1.1
95.05041	2.9
97.06601	2.6
99.04528	2.0
99.08151	2.4
101.02448	3.9
109.06564	2.2
112.05316	1.6
115.07693	2.0
121.95273	1.5
123.08148	1.4
125.06059	1.3
125.09756	8.7
127.07658	13.8
135.04463	1.6
135.08183	4.0
137.09706	2.1
139.07680	2.8
153.09235	34.7
153.12827	2.0
154.09547	2.7
155.10748	2.7
163.11360	5.9
165.12865	2.8
168.29568	1.2
171.10289	11.2
173.04591	1.2
178.10014	4.3
181.12260	1.4
185.11838	19.2
191.05609	1.4
191.10780	2.7
191.14424	1.7
191.64929	1.3
197.11858	9.6
201.11325	3.0
207.10229	1.3
209.11850	70.7
210.12128	3.8
237.11270	1.6
238.12099	2.7
239.16504	3.9
245.19115	4.0
263.20120	2.0
265.17914	2.4
279.19519	1.8
289.15121	1.7
289.18115	20.7
290.18500	2.5
297.20856	2.3
307.19177	100.0
308.19461	9.6
312.15836	11.3
325.20218	60.6
325.24115	2.7
326.20721	7.0
381.22897	9.9
382.38345	1.2
399.23846	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	399.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01389	10.5
61.98839	2.2
65.43143	1.3
69.19489	13.7
71.01380	11.1
73.02941	4.2
80.02682	1.6
81.03470	3.0
83.05041	5.5
84.02168	2.4
85.02951	4.3
89.02459	3.4
91.04015	4.0
93.03500	1.9
95.05034	2.4
96.95991	2.0
97.02993	1.8
97.06596	1.6
98.03765	1.7
99.04523	1.8
99.08176	3.7
101.02470	6.4
101.03022	1.4
109.06590	3.5
111.08170	1.8
112.05305	1.8
113.02467	3.2
113.06168	1.4
115.07678	1.7
123.04518	2.2
125.09720	8.9
127.07680	16.1
135.08170	4.8
137.09758	2.2
139.07663	2.9
139.31395	1.3
153.08067	2.6
153.09233	32.5
155.10770	3.7
161.09598	1.4
163.11267	4.3
165.12906	2.7
171.10312	10.6
173.04597	1.4
178.10010	3.6
179.10899	1.6
181.12294	1.9
185.11819	21.3
186.12170	2.0
191.05679	2.1
191.10823	2.0
191.14352	2.2
197.11856	10.5
201.11305	2.6
209.11853	69.4
210.12076	4.5
211.13358	2.3
227.12910	1.7
237.11620	1.4
238.12056	4.2
239.12416	1.9
239.16507	4.3
245.19054	5.3
249.14922	1.3
251.07535	1.8
251.16489	1.7
253.45328	1.4
263.20200	3.1
265.18069	1.6
281.21207	3.0
289.18109	18.2
290.18411	2.7
297.20776	2.8
307.19183	100.0
308.19501	12.4
312.15823	13.3
325.20218	70.3
326.20517	8.0
381.22745	11.9
399.19168	2.1
399.23868	16.0
400.24304	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	399.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39803	0.7
53.33521	0.7
56.11350	0.7
59.01389	37.2
75.00877	5.7
80.96500	0.8
91.86958	0.8
106.28319	0.7
153.93675	0.7
159.07220	0.8
216.05516	0.9
237.31146	0.8
279.26877	1.4
295.29977	1.0
319.30078	4.2
337.31155	30.2
338.31433	4.1
339.29053	69.9
340.29419	9.4
341.26910	3.9
354.16144	0.9
381.30139	11.9
382.30698	1.4
399.31113	100.0
400.31476	16.6
400.36407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73502	1.2
56.91621	1.5
57.03440	2.6
59.01385	21.1
59.96833	1.3
68.99834	1.6
71.01389	25.7
72.99303	6.0
75.00881	18.9
81.03459	1.8
85.02953	31.3
87.00880	7.3
89.02444	8.2
93.03442	1.4
95.01403	6.5
99.00890	11.8
103.00406	3.4
106.04231	3.0
107.05044	11.9
113.02460	30.3
115.00392	2.2
117.01955	3.1
121.02993	3.5
123.00870	3.3
123.04525	5.5
129.01953	2.4
133.02969	9.0
134.03288	1.6
138.03258	3.4
151.04016	22.5
153.05588	2.1
175.02452	3.8
182.02208	3.5
197.04539	9.6
205.07167	2.2
223.08156	1.3
231.05051	3.3
249.06168	32.2
267.07233	53.9
268.07574	3.3
383.09808	1.5
401.10883	100.0
402.11337	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.7
60.77201	2.1
70.09299	7.0
71.01388	30.5
72.99311	4.8
73.02940	3.3
75.00881	14.0
83.01421	2.4
85.02961	20.7
87.00886	27.7
89.02473	17.3
95.01418	6.5
99.00895	6.3
101.02453	6.1
107.05038	8.2
108.02171	10.3
109.02952	4.9
113.02467	21.7
115.00366	2.3
117.01944	2.5
119.03515	4.5
123.00880	9.7
123.01646	2.4
133.02939	7.0
138.03242	15.4
151.04002	17.3
152.01137	6.2
153.01811	2.4
153.05565	6.6
161.02361	2.7
163.04001	4.4
164.04800	6.9
166.02779	3.7
166.99947	3.9
174.19229	2.4
178.06281	3.7
179.03531	2.7
179.05649	5.0
179.07137	10.3
181.05074	4.7
182.02232	10.0
191.03543	3.9
191.05650	5.7
191.07164	3.6
194.05840	3.5
197.04550	30.0
205.05136	3.6
209.08228	5.2
249.06128	18.4
265.07169	20.4
267.07217	37.9
268.07642	3.1
277.07053	5.0
295.08182	17.1
325.09058	2.8
341.11060	17.8
355.10391	4.0
357.08282	7.1
383.09814	2.9
401.10922	100.0
402.11292	11.0
413.88733	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87135	1.7
57.03431	1.7
59.01387	3.7
61.52884	1.5
71.01373	6.5
71.33275	2.6
72.14179	1.5
72.99301	2.5
73.02954	4.8
82.10332	1.9
84.05062	1.6
85.02952	6.3
87.00883	65.1
99.00903	2.2
101.02470	2.7
111.00909	2.9
113.02434	4.0
121.02982	4.1
123.00880	5.7
131.03548	2.9
135.04570	2.5
138.03239	3.6
146.68813	1.9
149.02423	6.4
150.03136	2.4
150.10510	1.6
151.00441	1.9
151.04024	3.9
161.02461	11.8
161.06084	1.9
163.04036	21.3
164.04774	17.2
165.05537	5.3
166.02686	9.2
173.02377	3.0
175.04010	5.2
176.04810	14.7
177.01909	5.2
177.05469	3.5
178.06355	17.8
179.03555	11.2
179.07152	37.2
180.07518	2.3
181.05095	11.4
187.04173	2.7
190.02667	2.9
191.03523	23.7
191.05283	3.1
191.07164	7.5
192.04245	4.1
193.05078	10.0
193.08774	4.1
194.05835	9.0
203.03532	7.0
204.04242	6.1
205.05093	9.0
206.05823	7.1
207.06560	3.9
209.08173	11.1
218.05914	4.5
219.02960	6.6
219.06554	3.0
220.03769	2.2
221.04514	7.8
221.08272	10.6
231.02841	2.7
233.08249	2.4
234.05270	5.5
235.02390	2.7
235.05966	2.4
237.07643	4.2
238.04843	1.8
247.02464	7.2
247.06181	5.8
249.07631	5.4
251.09305	4.1
261.07846	2.9
262.04810	15.1
265.07199	69.1
266.07529	5.6
267.06985	2.3
277.07181	35.8
278.07364	2.6
295.08249	85.7
296.08600	7.9
325.09229	3.1
337.09293	2.0
355.10388	23.0
383.09799	7.4
395.72623	1.7
401.10904	100.0
402.11243	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	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05296	7.8
57.32423	6.5
59.01391	62.0
71.01395	61.3
71.02281	17.6
73.02940	11.3
78.01908	6.8
85.02957	23.1
87.00888	66.3
89.02457	67.7
99.65604	6.9
101.02451	27.3
113.02464	23.6
119.03496	19.8
134.45612	6.9
138.03201	10.5
140.20204	7.0
161.79463	6.7
164.04782	14.8
166.02771	12.5
179.05618	21.0
179.07150	28.5
181.05043	12.5
191.05627	9.0
194.05833	9.0
197.04596	11.4
234.05550	7.8
265.07104	41.8
266.07431	9.2
267.07132	18.0
295.08200	29.7
313.64703	7.2
331.28888	7.8
341.11011	69.7
342.11197	9.1
401.10977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.8
57.03455	5.2
58.00605	1.5
59.01385	38.2
61.75861	0.6
69.03459	1.6
69.34521	5.2
71.01390	77.9
72.99329	2.2
73.02954	29.3
75.00901	1.0
78.88708	0.6
81.03468	0.8
83.01395	13.2
84.02183	0.7
85.02962	37.5
86.00064	0.7
87.00867	3.0
89.02458	10.5
93.03456	0.8
95.01408	4.7
95.50359	0.6
97.02951	2.6
98.19951	1.4
99.00890	12.1
101.02457	58.4
102.02768	1.1
111.00877	1.3
113.02460	30.7
114.02799	0.9
117.44314	0.6
125.02430	3.2
128.08299	0.6
129.01938	2.1
131.03510	1.7
132.70837	0.8
143.03522	4.2
149.04636	0.8
159.02994	7.6
161.04584	56.0
162.04968	1.6
173.04572	1.4
188.30200	0.6
191.05634	2.7
203.10828	0.8
205.03627	1.0
233.06670	1.1
269.10321	100.0
270.10684	9.5
366.17142	0.8
401.14456	10.4
402.15073	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	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.22682	0.9
55.01883	1.5
57.03449	5.9
57.72133	0.9
58.00592	2.1
59.01388	59.5
67.01888	2.1
69.03461	1.4
69.22200	10.1
71.01394	36.0
72.99323	4.0
73.02956	6.1
74.03306	1.0
75.00868	1.2
81.03492	1.4
83.01394	3.7
84.16899	1.3
85.02967	18.0
87.00881	5.0
89.02452	26.5
93.03466	14.9
95.01392	2.6
99.00908	1.6
101.02457	22.9
109.02959	3.3
111.00881	1.7
111.04528	3.1
113.02480	12.8
115.00391	1.4
118.98088	3.2
119.03530	10.8
121.02979	4.1
123.00918	2.2
123.08143	2.2
127.04063	1.5
131.03476	1.0
133.02965	1.2
134.03738	2.8
135.04558	6.5
137.02467	3.9
138.02055	5.0
138.03040	1.2
143.03549	2.0
143.08678	6.2
147.04568	1.3
151.04050	1.1
154.01434	1.1
155.03491	4.0
159.04446	1.6
159.11789	8.4
160.01610	1.1
161.02373	1.3
161.04588	2.7
161.09686	1.1
163.04083	1.7
164.04745	1.4
166.99902	5.3
173.04568	29.0
173.05988	1.2
173.57988	1.0
174.03284	1.0
174.04817	1.4
175.04018	3.0
175.11432	1.2
177.12869	6.2
179.03487	4.0
179.05737	1.6
179.07164	4.3
180.03850	1.0
181.01428	1.7
182.00606	2.0
182.02231	39.4
183.02551	2.7
187.07645	1.1
191.05638	31.1
192.05965	2.8
195.13972	1.2
196.03745	1.6
197.04578	43.5
198.04912	2.6
205.08879	0.9
213.80978	1.0
217.08687	1.2
221.11845	31.1
221.72017	0.9
222.12273	1.5
228.51802	1.0
231.10481	1.4
238.43451	0.9
253.12114	1.8
266.05838	1.2
269.10391	1.8
275.09283	1.3
292.09592	1.9
295.09808	2.0
314.59076	1.0
339.12585	2.2
354.09235	1.0
357.05667	1.2
357.09955	1.5
366.74207	1.0
371.13431	1.7
401.12650	4.3
401.18198	100.0
402.18420	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62203	4.8
55.37591	4.7
57.03465	5.8
59.01386	18.8
61.98831	12.8
68.97563	4.7
71.56744	5.4
75.72287	5.3
78.95943	6.0
83.08144	4.5
121.02969	100.0
122.03279	4.9
164.21613	4.8
181.06686	8.6
183.11674	4.3
191.51378	4.5
198.64424	5.3
313.07211	26.1
357.05847	6.4
401.08722	20.9
401.23151	7.3
401.32635	7.1
402.08752	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	401.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.5
61.98823	13.9
62.77959	5.2
65.30270	5.3
67.80074	5.7
71.16467	10.9
96.95971	13.7
120.83231	5.4
121.02974	100.0
137.09583	6.8
204.99841	6.3
208.96664	5.2
214.23569	5.7
225.05565	9.4
233.91985	5.7
245.59212	6.0
313.07108	32.8
357.06256	8.3
401.08636	30.3
401.23224	11.5
401.32404	18.2
402.15753	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	401.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
58.00593	0.8
59.01382	10.4
67.01888	0.8
69.03461	1.4
69.44682	1.0
69.45080	3.4
71.01398	4.7
72.99321	0.8
73.02972	1.1
81.03445	0.8
83.05025	1.8
84.02191	0.8
85.02958	7.7
87.00912	1.1
89.02463	5.3
91.04013	20.2
93.03458	2.9
95.05018	1.9
96.95955	0.7
97.03010	0.8
97.06599	4.1
101.02441	0.7
108.02219	0.7
109.02948	0.9
111.00878	1.1
113.02380	0.9
114.24580	0.6
115.59856	0.6
119.03575	0.7
123.08195	1.0
125.09726	1.2
127.11302	1.9
135.04535	1.1
137.02441	0.8
137.09731	1.6
142.05077	0.7
155.10855	1.3
159.04520	0.8
165.12846	1.6
167.14363	1.1
171.10289	13.1
173.04596	3.1
175.04012	1.3
177.12846	1.5
179.03458	1.4
181.12347	0.9
183.13925	5.7
185.11847	2.8
190.06281	1.0
191.05620	4.3
193.12370	1.5
197.11835	1.1
209.11775	1.9
211.13396	24.9
212.13699	1.9
221.11861	3.7
228.43033	0.7
229.12302	1.2
229.14459	15.9
239.12871	2.7
282.05249	1.0
291.19678	7.4
292.20117	0.8
297.07681	1.4
309.20761	6.3
310.21085	1.4
326.17792	0.7
327.21786	100.0
328.22153	11.9
329.05112	0.7
357.13470	2.9
401.11673	0.8
401.16605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.00603	1.5
59.01387	10.3
61.98825	4.3
67.84336	1.0
69.03452	1.6
69.39224	7.7
71.01398	5.9
72.99287	1.3
73.02952	0.9
75.63495	0.8
78.96858	0.9
79.08053	0.8
83.05025	1.4
85.02951	9.8
85.40967	1.0
87.00861	1.3
89.02467	6.5
91.04015	18.1
93.03471	3.4
95.05020	1.0
97.02916	1.7
97.06589	5.3
101.02441	1.6
111.04533	1.4
121.02970	6.0
125.09711	2.3
127.11276	2.3
134.07143	1.1
135.04506	2.2
136.04886	1.2
137.09749	2.0
148.08458	1.1
153.69356	0.9
155.10840	0.9
171.10286	21.2
173.04527	4.2
174.04860	1.2
177.12807	1.7
179.03548	1.2
183.13904	3.4
185.11882	2.0
191.05598	3.4
193.12346	1.1
197.11781	1.0
201.11446	1.4
209.11920	1.2
211.13409	22.0
221.11848	4.1
229.14450	12.0
239.12880	3.7
247.20642	1.1
257.01358	0.9
286.84232	0.9
291.19666	6.8
309.20795	7.1
310.21011	1.0
313.06839	1.3
327.21790	100.0
328.22153	9.5
371.11102	1.3
401.08453	1.8
401.16507	1.4
401.20984	1.2
401.25479	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	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34777	2.3
59.01388	32.0
61.98846	6.1
67.01912	5.3
69.03475	3.6
70.98042	2.9
70.98362	3.2
71.01408	15.4
72.99320	48.9
75.00909	3.1
79.96959	2.4
80.90214	2.5
85.02952	22.5
87.00895	9.0
89.02461	10.3
93.03468	30.4
95.01395	4.2
95.05049	6.0
101.02442	6.2
103.94019	2.2
105.03487	4.6
108.02236	3.8
109.02981	7.1
110.86735	2.8
111.00884	6.0
111.04539	6.0
113.02467	4.6
121.03001	12.2
123.00909	25.7
123.04559	19.9
124.01679	10.6
125.02459	5.4
125.48918	2.8
127.03999	3.5
133.02959	6.8
135.04572	3.9
137.02478	50.3
138.03249	12.0
139.04062	24.5
143.03386	2.7
149.02509	21.2
151.04047	10.6
153.01949	3.2
155.03566	4.5
157.05045	4.1
165.02022	3.1
167.03523	23.8
169.01512	4.1
173.04575	35.1
181.05153	4.0
191.05632	100.0
192.05923	4.6
193.01517	12.4
195.02992	5.6
211.02466	5.9
223.06023	4.1
247.04520	6.5
263.37674	2.6
267.07263	2.8
282.33920	2.6
336.74219	2.9
403.12180	7.4
403.16415	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	403.104
Annotation	Conyzatin
Peak:m/z	Relative Intensity
58.49259	0.4
59.01379	1.0
61.49208	0.5
71.04687	0.5
103.05565	1.4
106.95963	0.5
107.05026	0.7
108.02189	0.9
109.02984	0.7
119.05070	0.5
121.02977	0.6
123.04501	0.6
124.01666	0.6
130.04274	0.6
131.05063	3.3
135.04564	1.3
136.01678	30.5
137.02179	1.0
144.99062	0.5
145.02998	0.9
146.03758	8.6
147.04550	9.3
148.05327	100.0
149.05658	6.1
150.03271	1.2
151.04021	32.5
152.04356	1.4
161.06093	2.1
162.03212	2.1
162.06870	1.6
163.04016	1.8
163.07660	1.3
174.03259	0.6
176.04829	0.9
177.05534	1.5
185.88983	0.5
191.05592	0.6
192.04291	1.8
197.92827	0.5
207.06648	18.5
208.06792	1.0
218.02225	10.0
233.04565	18.2
234.04935	0.8
267.06628	1.4
282.09021	1.1
297.11316	4.2
315.12482	1.2
359.11545	3.0
403.10370	79.7
404.10669	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	403.1248
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
59.01385	74.7
61.98833	4.8
70.02979	2.4
70.88188	3.4
70.88531	2.9
71.01389	21.1
71.04691	1.8
72.99323	7.6
73.02969	2.5
75.79061	2.1
83.01398	5.1
85.02956	7.2
89.02453	16.5
93.03454	8.0
95.01403	12.2
98.20573	2.1
101.02448	17.7
107.48744	1.9
109.02941	3.0
111.00890	2.9
113.02466	5.9
119.03513	7.8
121.02980	5.5
121.33397	2.0
122.22588	1.8
123.00903	91.5
124.01690	22.0
127.00421	2.1
137.02460	24.9
138.03241	55.3
139.00418	11.3
139.04037	63.2
140.04335	3.1
149.02454	6.9
152.04765	2.8
161.04533	3.9
164.04758	4.4
165.01929	13.0
166.02747	4.2
179.03458	2.4
180.04297	6.6
181.05074	4.7
183.64166	1.9
191.05681	2.2
193.01447	22.2
195.06636	3.7
199.31366	2.0
208.03764	39.3
221.80701	1.9
223.06129	100.0
224.06448	7.0
241.07179	10.4
281.06561	2.5
289.37323	2.3
313.16879	2.3
343.10483	9.9
351.60150	1.9
363.68292	2.0
403.12283	24.1
403.16922	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	403.1765
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
53.50104	0.6
55.27765	0.7
56.94511	0.7
57.03461	0.7
59.01384	6.6
61.98830	9.3
65.70321	0.7
67.01894	1.0
68.99812	0.9
71.01395	1.9
71.55952	1.2
72.99306	0.9
83.01396	2.3
87.00900	0.8
89.02499	0.8
95.01388	1.7
96.96019	1.3
97.06581	2.3
99.00899	1.5
109.02959	1.3
110.00118	0.7
111.00891	4.7
112.98814	1.2
113.02447	1.4
121.02973	2.5
123.00896	6.9
124.00821	1.1
124.01685	6.5
124.67786	0.8
125.02483	4.3
125.09749	1.6
127.00408	4.1
133.02959	1.6
135.04550	3.8
136.98778	3.5
137.02438	2.5
138.03242	2.4
139.00394	20.4
139.04024	7.1
140.01178	1.0
147.08171	1.4
149.02415	0.9
150.03239	0.9
151.00385	29.5
151.03993	3.4
152.01164	16.4
153.01996	5.3
153.05553	0.8
153.15741	0.7
154.02740	4.2
159.06572	1.2
163.04034	3.1
163.07663	2.7
164.04791	6.5
165.01974	0.8
166.02728	64.8
167.03503	14.6
168.04123	1.0
173.06056	1.9
175.04018	1.8
176.04791	2.5
177.01976	1.0
177.05524	1.5
178.06378	4.3
179.03514	3.4
179.07137	4.6
180.04289	12.6
181.05081	85.6
182.05486	3.9
187.09737	1.7
189.05534	2.1
190.04752	1.0
190.06381	15.2
191.05515	1.4
191.07147	12.0
193.05025	1.6
193.08693	3.1
194.05847	2.5
195.06627	9.1
205.08736	7.8
206.05875	1.5
206.09482	3.6
207.06613	2.0
208.07422	1.2
209.08188	1.2
218.05907	1.5
219.06618	1.4
221.08171	3.9
233.08231	3.5
297.07925	0.8
306.07458	1.7
325.07162	1.3
327.12103	0.8
340.09583	1.7
342.96088	0.8
345.13440	2.8
355.11600	3.5
358.10364	0.8
370.14230	2.8
371.14774	1.1
373.12939	19.1
374.13242	2.9
385.16571	4.2
387.14862	0.9
388.15302	36.7
389.15744	4.4
403.17624	100.0
404.17871	15.1
404.22778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71818	19.9
56.95847	22.4
59.01385	26.3
61.98862	21.3
64.30057	18.9
70.04116	39.7
70.04518	72.8
73.43672	19.4
75.47244	19.7
83.31879	23.7
83.35699	23.7
84.66555	21.1
87.00893	38.3
101.60756	19.4
120.58571	21.7
131.45880	19.0
206.75235	23.4
215.54047	21.2
310.39651	20.6
367.13504	27.1
403.24362	32.2
403.29178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	67.5
61.98846	100.0
71.23651	44.2
71.55230	49.9
96.96008	54.5
121.03001	56.7
123.52373	46.9
123.94216	48.2
150.89571	48.2
161.64821	41.6
205.00615	48.7
231.66277	41.4
243.83147	44.1
276.19739	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14548	38.5
62.77189	39.0
71.26016	59.9
83.46686	37.2
94.92528	100.0
96.91831	42.6
97.45599	38.9
112.21452	41.6
117.11621	38.3
176.44006	42.5
223.52513	43.9
246.17169	46.2
307.09213	51.6
315.01569	40.7
403.68347	41.9
409.51450	41.5
425.12170	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24833	5.2
52.72171	5.5
54.04729	6.1
59.01101	4.9
59.01384	20.3
61.98833	9.5
69.03809	5.1
71.01389	5.8
71.37441	5.4
92.92797	8.9
95.88914	6.2
98.19838	11.2
130.39330	6.0
229.34254	6.4
270.94916	5.8
277.06851	6.3
343.26663	11.6
385.27539	19.3
403.28781	100.0
404.28976	17.8
405.89822	6.0
408.43988	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	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79534	0.8
52.67424	0.8
56.96457	0.8
59.01384	14.0
61.98834	9.6
68.99861	0.8
71.01398	4.0
71.01730	0.8
71.56109	0.9
71.86926	0.8
72.99300	0.8
79.95752	1.2
80.03679	0.8
83.01389	0.8
83.05032	1.1
83.81081	0.8
85.02954	1.5
89.02441	5.4
91.04021	20.4
91.40446	0.8
96.96008	2.6
97.06578	1.5
99.00898	1.3
99.08178	6.7
111.00874	1.2
123.00854	1.3
125.02422	0.8
126.81971	0.8
127.00439	0.8
127.11280	2.8
133.02960	4.7
137.02460	1.6
139.00349	2.6
139.04034	1.3
151.00362	8.3
151.04010	1.1
152.01178	4.7
155.14375	1.1
163.04070	1.2
163.07631	1.6
164.04810	2.6
166.02748	17.7
167.03493	4.3
167.14400	2.0
171.10304	4.8
173.06052	1.1
177.01941	1.3
178.02768	1.7
178.06398	1.1
179.03539	1.5
179.07167	1.3
180.04324	1.6
181.03453	1.3
181.05069	23.2
181.06590	1.6
183.13963	7.2
190.06380	3.7
191.07135	3.4
193.12302	2.2
205.08710	1.9
206.09499	1.2
209.11783	2.7
211.13412	36.5
211.15437	1.8
212.13780	2.8
229.12311	1.3
229.14479	18.9
230.14778	1.7
248.37834	0.9
293.21204	1.6
306.07468	5.5
311.22278	7.7
312.22574	0.9
329.23343	100.0
330.23618	13.0
369.20975	0.9
373.12949	3.1
385.16629	1.7
388.15213	5.7
403.17822	15.3
404.17859	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	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79534	0.8
52.67424	0.8
56.96457	0.8
59.01384	14.0
61.98834	9.6
68.99861	0.8
71.01398	4.0
71.01730	0.8
71.56109	0.9
71.86926	0.8
72.99300	0.8
79.95752	1.2
80.03679	0.8
83.01389	0.8
83.05032	1.1
83.81081	0.8
85.02954	1.5
89.02441	5.4
91.04021	20.4
91.40446	0.8
96.96008	2.6
97.06578	1.5
99.00898	1.3
99.08178	6.7
111.00874	1.2
123.00854	1.3
125.02422	0.8
126.81971	0.8
127.00439	0.8
127.11280	2.8
133.02960	4.7
137.02460	1.6
139.00349	2.6
139.04034	1.3
151.00362	8.3
151.04010	1.1
152.01178	4.7
155.14375	1.1
163.04070	1.2
163.07631	1.6
164.04810	2.6
166.02748	17.7
167.03493	4.3
167.14400	2.0
171.10304	4.8
173.06052	1.1
177.01941	1.3
178.02768	1.7
178.06398	1.1
179.03539	1.5
179.07167	1.3
180.04324	1.6
181.03453	1.3
181.05069	23.2
181.06590	1.6
183.13963	7.2
190.06380	3.7
191.07135	3.4
193.12302	2.2
205.08710	1.9
206.09499	1.2
209.11783	2.7
211.13412	36.5
211.15437	1.8
212.13780	2.8
229.12311	1.3
229.14479	18.9
230.14778	1.7
248.37834	0.9
293.21204	1.6
306.07468	5.5
311.22278	7.7
312.22574	0.9
329.23343	100.0
330.23618	13.0
369.20975	0.9
373.12949	3.1
385.16629	1.7
388.15213	5.7
403.17822	15.3
404.17859	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	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.27874	20.9
69.28304	30.8
100.11400	5.5
134.59503	6.0
343.29971	6.1
403.32230	69.9
404.32303	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	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98837	100.0
69.43928	2.4
69.44349	0.8
72.99283	0.4
144.16145	0.4
200.16309	0.5
231.62218	0.4
247.04442	0.4
253.80075	0.4
274.01889	0.5
407.65842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00367	0.4
58.50698	0.3
61.98838	100.0
71.23294	0.4
123.54630	0.3
136.92570	0.4
317.81253	0.4
385.76419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94850	1.2
58.02985	11.3
58.62204	1.6
59.01391	10.0
63.01842	1.1
67.41586	1.1
69.55161	8.6
70.02988	2.5
71.01396	6.4
73.02975	1.3
74.02477	25.4
82.02987	2.7
85.02943	1.2
86.02488	8.6
87.05653	6.9
89.02445	6.0
90.00198	2.1
96.65656	1.1
97.04067	3.4
97.37850	1.0
99.05649	18.1
101.02468	3.4
101.07214	2.2
102.05620	3.1
109.04096	2.9
111.05661	1.6
112.04047	1.6
113.02483	2.5
113.03504	1.4
116.01763	1.6
119.03553	1.7
123.05624	2.5
125.03542	1.8
127.05136	4.0
128.03555	59.7
129.03897	1.5
131.04568	1.6
135.05626	3.6
141.06657	6.3
143.04643	78.2
144.04958	2.4
145.06136	3.2
146.04623	7.0
153.06685	4.4
160.00757	22.6
166.09886	2.4
167.04585	4.8
167.08260	2.8
177.03432	8.9
179.03493	1.2
179.04646	13.9
181.06200	3.2
185.05669	1.7
192.07759	1.3
197.05670	2.3
210.08879	14.0
211.09131	1.3
242.07860	2.4
254.07826	22.2
254.14905	1.2
272.08914	39.0
273.09195	2.5
288.06570	10.5
306.07678	100.0
307.07962	5.8
394.95239	1.3
404.15311	1.5
405.21451	2.3
414.24829	1.5
423.29871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.9
61.98837	100.0
71.01379	2.9
73.02972	1.6
79.95728	1.4
84.69025	0.8
85.02965	1.8
89.02465	0.9
96.96012	2.4
101.02431	1.8
110.01292	0.9
113.02430	1.0
133.02988	1.7
135.04546	0.9
137.02443	1.1
155.10814	1.7
161.02394	1.2
178.02602	1.5
179.03311	1.1
179.17271	0.9
306.07489	1.0
307.07684	2.0
405.21121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01384	4.3
61.98841	2.6
65.00333	0.6
66.66994	0.4
67.63860	0.5
68.36386	0.6
69.03466	8.4
70.73782	0.4
71.01378	1.4
71.56741	0.5
71.57448	0.4
75.00910	0.6
79.01910	4.0
79.95747	7.4
80.96523	3.2
81.03453	0.8
85.02962	1.5
89.02452	0.7
89.03327	0.5
91.01904	14.7
93.03475	2.5
95.01396	2.7
96.96030	7.1
97.02953	5.2
107.01406	9.3
107.05077	0.9
108.02193	17.2
108.02920	1.1
109.03009	4.4
111.00890	0.7
121.02953	1.9
123.00903	6.9
124.01675	0.7
125.02460	9.0
133.02992	0.6
135.00900	17.9
135.04553	0.6
136.01563	0.8
137.02461	9.3
151.00389	11.4
152.01163	17.9
153.01976	4.1
163.04024	0.6
172.10638	0.7
177.01958	1.5
197.06064	1.3
209.11868	2.0
213.05629	1.2
215.07173	0.8
225.05618	0.6
242.05861	13.9
243.06628	100.0
244.06952	9.0
275.09042	0.5
297.05933	1.0
307.19223	1.9
325.20230	2.3
330.23679	1.2
331.23920	1.2
405.11813	11.3
405.16080	6.9
406.11887	1.0
406.16608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
52.91121	0.7
59.01378	7.5
61.98832	4.0
67.78786	0.7
69.03464	55.6
69.89571	2.6
69.89981	1.0
70.03783	1.4
71.01389	2.3
75.00877	1.1
78.29825	0.7
79.01898	25.6
79.94035	0.7
79.95744	1.2
80.02276	0.8
81.03478	3.7
85.02966	3.0
89.02489	1.0
91.01905	1.6
93.03457	0.8
95.01389	9.5
96.96022	3.1
97.02962	33.6
98.03286	1.3
100.98804	1.5
101.02457	1.4
105.62778	0.7
107.01405	59.2
108.02252	7.3
109.02982	7.0
113.02468	1.6
118.99881	2.5
119.05058	0.7
121.02980	3.1
123.00905	17.9
125.02460	65.0
126.02779	2.2
133.02995	2.4
134.03738	1.6
135.00899	20.9
135.04520	2.1
136.01712	5.0
137.02464	4.2
149.02437	2.5
151.00388	78.5
152.01186	10.0
153.01955	27.4
154.02296	1.3
154.61937	0.8
161.04648	1.0
163.04053	6.0
166.02710	1.2
175.04030	1.4
177.01950	8.6
179.03612	0.9
182.05388	0.9
191.03546	1.0
198.06970	1.2
207.02989	0.8
242.05870	100.0
243.06590	44.0
244.06946	2.9
285.07770	4.0
297.06134	6.9
375.13397	1.0
405.11911	42.6
405.26532	1.0
406.12192	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	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24974	2.5
52.21521	2.5
52.49722	2.3
58.00593	4.9
59.01386	85.2
61.98841	13.2
70.46218	2.3
70.95113	7.1
71.01393	50.9
72.99327	3.7
77.09073	3.3
85.02962	10.4
87.00887	7.9
89.02451	69.7
95.01395	3.7
101.02464	27.3
113.02477	21.9
118.45364	2.9
119.03517	23.9
121.03019	2.8
131.06091	2.5
131.85582	2.7
134.01517	2.6
142.46457	2.8
143.03500	5.0
148.37346	2.9
149.02461	16.5
161.04549	6.2
165.01944	11.2
177.01947	100.0
178.02322	5.6
179.03546	14.2
179.05621	6.9
180.04265	8.4
192.04312	39.3
193.04607	3.5
194.05818	6.2
195.03018	5.4
195.06659	24.9
207.06616	9.1
210.05302	7.0
225.07747	15.8
266.95987	2.7
340.17200	2.4
387.12991	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	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36553	0.5
59.01387	100.0
60.01723	1.1
61.62187	0.5
64.86758	0.5
70.52148	1.0
70.52520	1.1
71.01387	10.0
72.99316	1.1
73.02959	6.7
74.02499	1.6
74.99111	0.8
77.59386	0.5
77.87999	0.4
83.01405	2.0
85.02967	2.4
87.00888	1.0
89.02457	8.1
89.79446	0.5
93.03485	0.8
93.15903	0.5
95.01425	0.6
96.96043	1.8
99.05661	0.7
101.02455	9.1
104.56200	0.5
113.02476	4.5
119.03518	3.2
120.99677	3.6
125.02488	0.8
131.03481	0.7
139.04099	0.5
143.03612	0.8
143.04675	3.9
149.04549	0.9
161.04564	3.0
173.04582	1.2
177.03419	8.7
179.05669	1.2
181.12335	0.6
191.05611	0.8
243.16132	1.2
384.89001	0.6
405.12601	0.6
405.17285	1.5
405.21564	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.6
57.03459	10.1
58.00608	3.6
59.01385	100.0
60.01727	1.2
70.24449	0.7
70.24794	2.2
71.01390	53.5
72.99319	4.0
73.02953	3.4
73.28248	0.6
74.02515	0.8
81.03448	0.8
83.01405	2.7
83.05019	0.9
85.02956	14.0
87.00891	5.7
87.04542	0.6
89.02454	58.5
90.02808	1.8
93.03466	1.0
93.52697	0.7
95.01382	3.8
96.96011	0.8
97.02947	0.6
99.00899	1.6
99.92596	0.8
101.02452	34.5
107.20461	0.6
109.06607	1.1
113.02458	23.0
114.02872	0.6
115.00394	4.5
115.92097	0.9
116.92870	0.8
119.03516	28.5
119.69440	0.6
120.03887	0.6
123.08175	1.0
125.02403	0.8
125.06116	2.2
128.03586	1.9
131.03548	2.4
134.07434	0.7
135.04469	0.9
143.03548	4.9
143.04582	1.2
149.04622	1.8
149.09747	5.0
155.01759	0.7
159.02948	0.7
161.04565	10.7
167.10789	11.0
168.11050	0.8
173.04628	1.0
175.02470	14.4
175.03963	0.7
176.02863	0.6
179.05663	7.4
183.10294	1.8
193.05042	0.8
203.03458	0.8
225.11475	1.3
225.15001	1.1
243.16089	5.8
271.08536	1.8
273.09454	0.7
306.07791	1.0
307.07858	1.2
405.17767	27.9
405.21677	19.5
406.18076	3.8
406.22946	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01876	1.6
57.03451	1.1
58.00603	0.9
59.01387	30.7
61.75770	0.4
61.98837	3.1
69.03447	0.6
70.58845	1.0
70.59215	0.8
71.01392	23.9
72.99316	2.4
73.02950	4.8
75.00903	0.9
78.93481	0.5
79.95763	1.1
83.01393	3.3
83.05037	0.6
85.02958	10.8
85.06596	3.1
87.00895	2.0
89.01931	0.8
89.02455	12.2
93.03452	1.0
95.01399	2.4
96.96037	2.3
97.06604	0.7
99.00888	4.5
101.02454	14.6
102.02798	0.5
111.00932	0.5
113.02467	7.9
113.09724	0.6
118.99889	0.5
119.03505	5.1
124.47057	0.4
132.44331	0.5
135.04555	0.8
137.02460	1.0
139.00485	0.5
143.03580	0.6
146.51587	0.4
152.01208	0.5
153.12871	0.5
155.10776	3.4
155.14421	6.6
156.14713	0.5
161.04562	1.1
162.60405	0.5
175.04054	0.5
179.05632	1.2
181.15982	3.1
199.13412	15.5
200.13795	1.2
225.11334	0.5
225.14957	4.4
226.15363	0.5
243.06689	1.0
249.06282	1.0
387.20401	1.5
405.21362	100.0
406.21664	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01883	2.4
57.03451	7.3
58.00598	3.2
59.01385	100.0
60.01714	1.1
69.03442	0.8
70.26069	0.6
70.29391	2.3
71.01389	50.6
72.01740	0.8
72.99310	5.4
73.02961	4.3
75.00880	0.7
77.99544	0.6
83.01382	4.2
85.02960	11.3
87.00900	3.7
89.02451	50.5
90.02805	1.0
93.03486	0.9
95.01389	4.0
99.00903	1.8
99.92590	1.9
101.02455	32.1
102.02792	1.1
108.02163	1.1
109.06625	1.8
111.04549	0.7
113.02460	21.3
115.00387	3.6
115.92113	1.9
116.92882	2.0
119.03522	27.0
121.03029	0.7
123.08203	1.0
125.02514	1.1
125.06158	1.7
128.03596	1.0
131.03546	2.2
134.03761	0.7
136.49709	0.6
143.03549	3.1
143.04558	1.1
149.04591	2.2
149.09726	6.1
155.08418	0.6
156.63815	0.6
159.03046	0.7
161.04576	9.6
163.11374	0.7
167.10786	12.5
168.11119	0.6
168.96036	0.9
173.04648	1.1
175.02507	7.8
179.05635	5.1
181.05055	0.7
183.10307	1.9
191.05652	1.2
203.03517	1.4
210.97110	1.9
225.11414	1.7
225.14983	0.8
232.30585	0.7
243.07504	0.6
243.15993	5.4
271.08301	3.3
307.08337	0.7
326.20190	0.6
359.13025	0.6
387.02036	0.9
387.16403	1.0
405.17746	43.1
405.21637	12.0
406.17313	4.1
406.22421	1.5
408.94193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	26.5
61.98809	7.9
70.15860	23.3
70.16260	20.0
71.01421	12.2
71.36131	7.7
88.98808	42.8
89.02459	19.6
96.96014	20.4
315.19446	38.9
343.26410	15.9
361.27402	26.5
405.22116	11.6
405.26541	100.0
406.26923	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	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98666	9.3
53.99352	9.2
54.38219	11.2
59.01382	36.5
61.98818	12.8
68.39848	9.3
71.56419	11.1
92.78800	10.4
96.96019	24.0
176.08498	13.4
200.59903	9.8
214.10387	9.5
257.82761	9.8
361.27664	14.9
405.26376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11940	0.9
59.01380	4.3
61.98819	1.3
62.38474	0.9
71.01382	1.2
71.56131	1.9
72.43268	0.9
83.05037	1.6
83.83976	1.0
95.05053	1.1
96.96000	1.1
99.89861	0.9
109.06606	1.2
121.41617	0.8
127.05140	0.9
137.09784	0.9
152.99594	1.2
170.86479	0.9
174.87144	1.0
178.86896	0.8
213.14958	2.9
231.17529	1.7
239.16541	1.8
247.13518	1.3
258.78537	1.0
315.27170	1.7
323.22159	2.4
325.25479	4.7
333.27969	1.3
341.24805	1.6
343.26453	6.7
359.26013	4.2
361.27518	3.2
369.24353	4.9
387.25516	11.7
405.26511	100.0
406.26810	15.4
425.86737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.6
61.98833	1.1
69.91572	0.8
95.05042	1.0
96.96022	2.5
107.05056	1.3
117.89663	0.8
169.43159	0.9
176.65500	0.9
192.47044	1.0
213.15009	1.5
221.15413	1.4
234.19225	1.2
239.16537	2.5
241.18103	3.8
254.78223	1.0
267.19626	1.1
267.44543	1.0
315.26938	1.3
325.25311	5.4
333.28006	2.5
341.24741	2.2
343.26379	5.4
359.26022	2.6
361.27664	5.3
362.27914	1.4
369.24283	4.6
387.25439	12.0
388.25662	1.3
405.26474	100.0
406.26761	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	407.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.3
57.03444	5.2
59.01385	47.0
69.03447	2.3
69.37902	11.9
71.01389	23.5
72.99305	5.8
73.02945	4.3
74.02463	4.3
75.00886	17.9
82.03001	1.5
85.02963	22.8
86.02502	1.7
87.00895	8.2
89.02459	10.4
93.03454	2.4
95.01385	4.3
99.00895	9.5
99.05617	4.4
101.02428	5.6
110.79544	1.4
113.02471	25.4
113.06098	5.5
115.00357	2.2
117.01915	3.4
119.03522	3.4
128.03545	6.5
129.03889	3.0
134.03719	2.8
135.04552	1.9
136.01665	4.2
137.12335	1.5
139.07600	4.1
143.04617	13.3
144.04973	5.0
149.06042	1.9
150.03194	2.7
151.03969	7.5
155.51381	1.4
157.08708	57.9
158.09036	2.6
161.04547	2.5
165.05475	3.1
173.04613	2.5
175.02464	3.0
179.05629	2.1
191.05589	2.0
209.58099	1.5
210.08917	2.1
211.09294	3.2
231.05124	1.9
240.96526	1.5
249.06190	24.9
254.07770	2.6
255.08176	3.1
267.07101	5.1
272.08792	3.2
273.09247	4.9
290.79810	1.6
308.07477	2.0
309.07562	3.0
389.14645	2.3
407.15591	100.0
408.15845	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	407.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.3
58.00584	1.5
58.02973	2.8
58.89838	1.3
59.01386	50.9
67.01895	1.4
68.99786	1.4
69.03439	1.7
70.49409	1.1
71.01391	30.8
71.05003	1.5
72.99329	6.7
73.02944	5.4
74.02465	5.0
74.99115	1.1
75.00878	21.2
75.45871	1.1
83.01416	2.3
83.05025	1.3
85.02955	26.1
86.02486	2.3
87.00888	10.4
87.05658	1.5
88.44910	1.2
89.02452	14.5
93.03460	3.1
95.01411	8.2
99.00878	12.6
99.05645	4.9
99.17277	1.2
99.22057	1.1
100.05961	1.7
101.02475	8.4
103.00368	3.3
109.02942	1.6
109.06535	1.7
111.00889	2.3
111.08134	1.5
113.01726	2.2
113.02462	35.4
115.00365	2.5
117.01938	4.4
119.03471	3.7
119.04234	1.2
119.05045	3.5
127.04018	1.4
127.07609	4.2
128.03566	9.6
129.01927	1.7
129.03860	3.8
131.03477	1.5
133.06927	1.8
135.04515	2.7
135.05608	1.5
139.07661	6.0
143.04611	12.9
144.04974	4.5
145.06110	1.5
146.04587	2.0
149.09700	1.4
151.04007	2.8
157.08710	61.9
158.09029	2.5
161.04524	4.2
167.75522	1.3
173.04523	4.8
175.02443	2.0
179.04573	2.0
191.05638	3.9
210.08894	3.2
211.09044	1.4
231.04990	3.6
249.03772	2.4
249.06161	26.8
254.07770	3.9
255.08035	3.9
267.07242	6.9
272.08783	4.6
272.87589	1.2
273.09146	5.3
309.07693	2.2
373.13965	2.3
389.14761	2.6
407.15570	100.0
408.15860	14.5
430.12598	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	407.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72425	17.1
51.38570	13.8
52.02604	12.9
55.28341	14.5
57.03455	25.3
59.01385	100.0
70.93148	36.0
71.01405	23.1
75.00874	29.9
78.05983	15.1
85.02959	30.9
93.03485	34.2
108.02213	17.1
132.45471	13.4
133.02930	16.3
137.02481	16.7
145.07736	28.2
173.04556	53.2
179.59653	12.7
181.46123	19.7
191.05638	81.1
253.13010	15.1
304.12939	19.0
307.48938	19.0
373.84344	13.7
407.18408	47.1
407.26465	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64982	1.2
54.10298	1.2
57.03445	2.7
58.00579	1.7
59.01389	100.0
60.01717	1.4
61.48167	1.1
69.27241	12.3
71.01393	39.2
71.10096	1.2
72.99305	3.1
73.02956	9.6
74.02476	2.2
74.99113	1.8
75.00888	2.1
82.02970	1.5
83.01394	4.9
85.02966	15.4
87.00899	6.2
87.04516	1.7
89.02448	18.6
93.03454	3.5
95.01382	1.7
96.95976	1.2
97.02953	1.2
99.00887	3.7
101.02463	26.1
113.02470	17.4
119.03522	8.8
128.03558	3.8
129.01978	1.8
131.03506	4.2
134.03717	2.0
136.01671	3.3
137.09743	2.0
143.03462	3.6
143.04639	4.6
145.08699	1.5
149.09737	18.5
150.03239	3.5
151.04015	8.5
155.03491	1.3
157.08720	4.0
159.03044	3.1
161.04573	23.9
165.05594	2.9
167.10780	4.5
173.04590	2.9
179.05585	3.5
191.05609	6.5
221.06657	17.9
222.07141	1.4
222.63060	1.3
227.13014	1.4
249.06117	2.1
254.87277	1.4
347.17133	5.5
365.18225	2.3
407.14417	1.9
407.19632	6.5
407.23227	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	407.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05328	3.9
59.01390	21.9
61.98820	10.1
69.03474	4.3
71.01385	9.0
71.55931	4.6
77.63544	3.2
79.95753	7.3
80.91694	15.9
80.96529	5.5
83.01392	6.1
85.02934	4.0
93.03429	4.0
96.96006	29.7
97.06640	7.4
98.41426	3.6
99.92584	8.3
109.06661	3.5
111.08192	19.6
113.02454	4.7
115.92145	4.6
119.08158	3.7
123.04523	6.5
123.08138	4.9
125.09729	25.5
127.11348	7.4
135.04582	4.3
137.02451	4.1
137.09790	8.5
141.09201	8.2
151.11320	3.7
153.09152	5.4
164.08392	8.7
165.09244	4.7
171.10301	22.5
175.07401	4.0
181.08456	6.3
193.08522	21.8
195.10278	4.7
199.09749	4.5
201.11317	66.3
207.10027	12.4
209.08035	9.8
213.11330	46.6
221.11601	3.9
223.09563	94.3
224.09784	7.3
231.05000	4.6
231.10022	5.8
235.09534	49.9
239.02977	3.4
241.09258	17.7
249.11118	6.8
260.10281	22.9
278.11368	47.6
287.16202	5.9
289.18106	14.5
307.19235	30.3
311.16229	6.2
317.16898	3.6
325.20215	100.0
326.20355	8.1
329.17346	79.1
330.17740	5.8
338.12106	4.3
347.18057	34.3
380.72510	4.1
407.17563	13.0
407.24310	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	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.09238	0.5
59.01389	1.3
78.69637	0.4
78.95911	100.0
79.75158	0.5
93.41562	0.5
96.96037	5.3
96.96967	8.5
143.08240	0.4
150.98007	1.2
152.99602	79.0
153.99969	1.4
171.00661	58.3
172.01059	0.9
211.13411	0.7
325.18433	0.8
327.29150	1.2
379.44901	0.5
407.25375	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	409.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
59.01386	8.8
67.01900	0.8
69.03464	100.0
69.21539	1.5
69.21951	3.9
70.03790	2.4
70.95339	0.5
71.01390	3.3
72.59827	0.5
72.99303	2.0
79.01897	4.1
80.96542	0.6
83.01386	0.7
85.02965	5.1
89.02486	1.2
93.03465	3.1
95.01406	3.5
97.02961	18.7
97.06583	0.5
98.03313	0.7
99.00890	27.5
101.02452	1.2
108.02253	0.6
109.02992	0.6
111.00896	0.7
113.02496	0.9
121.02943	0.8
123.00879	1.2
123.62394	0.6
127.04006	0.8
135.04527	2.3
141.01962	11.0
142.02237	0.7
147.04555	0.7
149.02440	4.9
155.03465	0.6
164.04829	2.2
173.04584	3.9
178.02780	0.5
179.03561	1.7
185.00928	41.3
186.01317	1.4
191.01807	0.6
191.05627	12.6
192.06065	1.1
203.01990	0.7
208.03793	0.7
223.06166	5.3
280.94583	0.5
313.08395	0.6
329.61365	0.5
383.40533	0.5
409.07724	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	409.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.9
57.03444	3.7
59.01385	26.0
61.98825	1.6
62.84614	0.9
67.01914	0.9
69.03471	8.9
71.01393	9.4
71.55727	1.0
71.56116	1.5
72.99303	3.3
73.01177	1.0
73.02953	3.4
75.00883	16.9
83.05035	2.3
85.02956	22.8
87.00892	4.6
89.02467	5.7
93.03471	12.3
95.01382	1.8
97.02930	2.2
99.00871	4.8
100.27091	1.0
101.02454	4.9
109.02959	6.8
109.06492	1.0
111.00877	1.2
111.04555	5.5
112.04787	1.0
113.02469	6.5
113.09725	4.8
116.05119	1.0
117.01949	1.4
119.03468	1.7
120.99652	1.4
121.06596	3.1
123.00900	1.7
125.02496	1.4
126.38474	1.0
127.04019	2.6
129.01906	2.8
134.03687	6.3
135.04550	7.6
137.02446	3.1
145.02856	1.2
145.06613	2.5
145.07747	2.5
147.02988	1.0
147.04485	1.2
148.05043	1.1
155.03613	6.3
155.04897	5.4
157.26230	1.0
158.03731	2.8
159.04657	1.0
159.10291	13.5
160.01665	1.6
161.02434	11.4
161.04498	2.2
162.03188	4.3
164.85214	0.9
172.05315	2.9
173.04552	15.8
173.06076	62.7
174.03204	1.5
174.06393	4.2
175.04016	14.5
176.04616	4.1
179.03470	2.8
185.00865	3.0
189.05547	2.3
190.06326	1.3
191.02036	2.0
191.05602	92.9
191.07162	100.0
192.04193	2.2
192.05945	4.5
192.07469	6.0
193.05023	3.4
194.02158	1.5
203.03603	1.3
205.05112	1.4
209.03033	1.5
217.05093	11.5
235.06137	45.7
236.06471	3.6
249.06157	3.2
277.13138	1.8
287.11426	2.6
305.12515	2.4
305.15887	1.3
349.11707	7.0
349.18454	1.5
365.13492	1.1
391.10785	1.5
409.11414	43.1
409.17020	12.6
409.24994	9.5
410.11780	5.1
410.16949	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	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74974	1.1
57.03453	1.5
58.00594	3.2
59.01385	72.0
60.01690	1.1
61.98839	2.9
63.66364	0.9
69.03448	1.4
71.01389	59.8
71.25612	2.0
72.01712	1.6
72.99309	4.2
73.02956	12.3
75.00873	2.1
80.96473	0.9
83.01388	3.8
85.02961	14.0
87.00884	3.7
89.02452	90.6
93.03472	5.0
95.01396	1.8
96.96007	4.8
97.02950	1.4
99.00882	9.2
101.02457	32.9
107.04989	1.8
109.02991	1.0
113.02457	12.7
119.03493	5.6
121.02970	4.0
122.03743	8.5
123.04575	1.4
124.76263	1.1
125.02456	3.7
129.05621	1.5
131.03519	20.4
133.02954	2.1
134.03838	1.1
135.04549	7.3
136.01675	2.1
137.02498	1.6
143.03496	1.8
149.02486	34.0
149.04559	48.6
150.03246	60.4
151.03833	3.5
153.05489	1.4
161.04533	2.4
163.04007	1.1
164.04803	9.4
165.05580	100.0
166.05934	4.6
173.04549	3.2
179.05647	2.1
180.04248	4.4
191.05652	17.1
192.05971	1.3
193.05063	1.3
193.98468	1.0
195.06650	21.8
196.07030	1.1
203.03397	1.0
213.07724	1.9
221.97130	1.1
223.06136	1.2
235.02538	1.2
246.89624	1.0
277.12973	2.2
285.07742	3.9
285.17761	1.0
286.08463	7.1
287.08987	1.0
301.10797	13.9
302.10980	1.1
321.92487	1.0
349.15106	3.3
361.12952	35.2
362.13245	4.0
386.36252	1.1
409.16278	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	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.98833	1.1
63.42563	0.6
71.01362	1.1
78.07677	0.6
78.95901	1.1
79.95776	0.9
85.02967	1.7
86.24769	0.7
93.03468	2.2
96.96014	2.0
98.19916	1.4
119.03480	0.7
121.02969	100.0
122.03316	3.7
133.02911	0.6
134.03778	1.3
135.04512	0.9
137.02362	0.8
173.04576	2.3
179.03488	0.8
191.05688	2.2
260.34659	0.6
286.34052	0.6
304.63425	0.6
315.35999	0.7
409.18201	1.4
409.23007	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	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03454	1.4
58.00611	2.8
59.01386	82.4
60.01737	0.9
60.63784	0.4
69.03467	1.0
71.01391	71.7
71.32697	1.0
72.01730	1.0
72.99316	3.9
73.02954	11.5
75.52520	0.5
77.02456	0.6
83.01399	3.5
85.02969	13.2
87.00881	3.2
89.02454	100.0
90.02803	1.3
93.03457	0.5
95.01406	1.2
97.02944	1.0
99.00885	2.1
101.02462	36.0
102.02763	0.6
111.00887	0.8
113.02465	13.5
119.03519	7.9
125.02455	3.1
131.03519	27.0
132.03822	0.5
135.04541	1.5
143.03534	0.9
149.04572	54.0
150.03236	6.6
150.04884	1.5
161.04509	2.1
165.02072	0.5
165.05589	9.7
166.05937	0.7
173.04549	0.7
179.03412	0.4
179.05527	1.3
180.04272	0.9
187.53778	0.5
191.05632	13.4
195.06648	3.6
277.13074	2.4
361.12698	0.7
366.01642	0.5
409.16724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01341	0.4
52.59832	0.4
53.73228	0.4
55.01898	1.2
57.03459	1.6
58.00597	3.3
59.01386	80.2
60.01726	1.0
65.11350	0.5
69.03450	1.3
69.38702	0.4
71.01390	69.6
71.02968	1.0
72.01733	1.3
72.99312	3.7
73.02957	14.8
73.03361	0.9
75.00883	0.6
75.13170	0.4
81.03455	0.4
83.01406	2.7
85.02961	13.0
87.00883	3.1
89.02454	100.0
90.02780	2.0
93.03472	0.9
95.01406	0.6
97.02986	0.7
99.00873	2.0
101.02454	35.2
102.02794	1.0
113.02456	14.5
119.03515	7.6
125.02457	2.2
131.03522	26.8
132.03833	1.3
135.04517	1.5
138.77731	0.4
143.03516	1.0
149.04570	51.3
150.03232	1.5
150.04890	1.6
161.04550	1.2
165.05568	2.8
173.04567	0.7
179.05629	2.0
191.05609	12.1
191.43877	0.4
192.05925	0.8
195.06639	1.2
208.16394	0.4
213.95825	0.4
216.89661	0.5
251.07652	0.5
253.38782	0.5
277.12866	1.0
347.13486	0.5
409.16760	1.9
410.92371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	6.8
59.01387	19.3
61.98843	15.3
69.23158	25.1
69.23562	6.1
71.01382	4.5
80.91685	7.0
86.65549	2.9
87.22248	3.3
96.96009	11.6
97.02972	3.4
109.02955	4.4
113.09739	14.2
123.57355	2.8
125.09742	12.0
127.11280	9.9
137.09766	3.9
141.09244	4.2
151.11357	3.5
155.10764	4.7
165.09174	4.3
171.10251	8.1
183.10077	3.5
193.08492	17.3
195.10199	3.2
199.09801	3.7
201.11346	63.1
209.07950	7.8
213.11369	34.2
213.13342	5.6
223.09564	86.2
224.09869	5.4
235.09531	34.6
236.09723	3.9
241.09352	21.2
249.11023	8.6
283.30408	3.9
291.19635	7.4
295.65060	3.0
309.20688	13.0
327.21799	100.0
328.22101	10.0
331.18967	44.6
332.18991	6.0
349.19461	16.7
409.26239	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	409.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38741	0.5
55.72736	0.5
59.01391	2.7
61.98803	0.5
69.90076	0.5
78.95923	3.7
96.96044	0.6
152.99619	3.8
160.07550	0.5
166.73099	0.5
171.55049	0.5
174.97076	0.6
182.06230	0.6
183.13905	17.2
184.14264	1.2
195.13911	23.5
196.14259	1.9
211.81108	0.5
213.14970	100.0
214.15315	7.2
215.95430	0.5
229.94113	0.5
240.20624	0.8
241.20763	1.1
271.22165	0.5
291.19614	2.9
309.20798	1.7
409.24768	4.1
409.30170	9.9
410.30157	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	410.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35595	0.9
58.10831	1.1
59.01389	17.0
61.98840	100.0
70.01041	4.0
71.01381	4.7
73.02951	4.5
77.69592	1.1
83.01369	1.9
85.02955	4.7
86.23800	1.0
87.00858	1.1
89.02438	2.2
93.03461	3.9
101.02459	4.3
113.02506	1.8
135.04523	4.0
137.02469	1.2
149.04532	1.2
150.38136	1.0
159.24156	1.0
161.04584	1.5
173.04562	8.5
179.03546	1.5
181.85942	1.1
181.91714	1.1
188.11621	1.0
191.05646	11.0
206.81738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	89.9
69.58548	38.4
69.58971	64.5
71.01383	62.1
72.99354	15.2
85.02940	21.1
89.02452	100.0
101.02457	44.2
108.17104	16.0
113.02442	37.8
119.03500	43.7
139.90462	15.2
143.05084	21.9
161.02505	23.1
162.03296	32.5
165.05547	15.8
177.05626	24.4
179.05698	93.5
195.06638	22.1
274.36392	16.8
357.11945	46.7
411.10104	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	45.1
69.70304	10.5
69.70705	12.8
71.01375	13.9
71.05022	4.8
77.89905	3.8
79.95734	5.1
83.01362	4.1
85.02978	10.7
89.02457	9.3
93.03465	6.0
96.96019	5.4
98.19896	8.1
99.00919	5.1
101.02462	11.4
102.45690	3.8
113.02457	7.0
135.04480	5.5
135.32397	3.7
135.59550	4.1
137.02454	9.5
148.05339	45.2
149.05719	4.1
153.38600	4.2
159.17981	4.1
163.07678	40.6
183.13937	6.1
191.05624	6.4
195.13930	6.1
213.14980	100.0
213.17018	6.1
214.15318	8.6
231.13829	6.4
283.13724	7.5
411.19901	16.2
411.24887	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	411.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26433	0.7
57.03454	1.2
57.15862	0.7
59.01386	100.0
60.01723	1.5
64.94386	0.8
67.49504	0.8
69.03449	1.1
69.33881	5.8
71.01392	27.1
72.01763	0.8
72.99332	1.8
73.02953	25.4
75.00910	0.9
79.88487	0.7
83.01409	6.4
85.02964	7.1
85.40615	0.8
87.00855	1.5
89.02456	9.6
95.01390	2.5
96.96035	1.3
99.00885	1.0
101.02458	26.5
109.02982	1.0
113.02469	10.3
119.03508	3.3
131.03506	3.1
135.04552	2.1
137.09744	7.2
143.03493	0.9
152.01144	0.9
155.03537	1.0
161.02487	1.3
161.04546	4.8
173.04626	1.8
179.03479	1.3
179.05678	1.0
185.85168	0.8
189.12926	1.4
191.05679	1.9
396.08426	1.2
411.20334	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	411.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
57.03444	4.0
58.67794	1.8
59.01387	100.0
61.98837	3.4
66.06293	1.9
71.01394	56.2
71.56182	2.4
72.99315	4.7
73.02957	14.6
78.18579	2.0
83.01418	9.6
85.02966	28.2
87.00887	5.6
89.02455	18.5
93.03464	7.0
94.85300	1.7
95.01410	5.5
96.96063	3.2
97.02964	2.4
99.00888	6.8
100.50381	1.7
101.02455	44.9
102.02835	1.8
109.02943	1.9
111.00941	2.3
113.02467	20.6
115.92055	2.4
119.03526	8.3
125.02456	4.2
127.04014	2.8
133.02995	3.1
135.04533	4.7
137.02496	2.0
143.03503	3.3
150.52676	2.0
155.03542	3.0
159.02991	3.7
160.01630	2.3
161.02446	2.6
161.04578	23.8
173.04584	9.3
175.03943	3.1
179.03470	2.4
189.15013	6.0
191.05635	11.5
192.06075	2.3
249.13481	6.8
279.14581	24.5
292.41330	2.2
351.20291	68.6
352.20599	9.2
411.07800	4.0
411.13168	8.5
411.19040	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00087	2.7
59.01385	100.0
76.45807	3.3
98.20670	6.6
104.09715	3.3
135.83334	3.0
194.44923	3.3
200.39410	2.9
332.49335	3.3
343.30994	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	411.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90298	1.1
68.87356	1.1
70.59333	2.5
70.59690	2.1
188.20213	1.3
190.94432	1.2
349.34787	60.3
350.35117	8.8
367.35846	1.8
393.33810	13.5
394.34180	2.7
411.34818	100.0
412.35150	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	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80787	0.5
57.03442	0.8
59.01150	0.7
59.01394	7.4
61.39521	0.5
61.85992	0.5
64.90379	0.4
69.40488	0.6
69.40816	4.2
71.01393	7.4
73.02943	2.7
74.30679	0.5
78.95918	1.7
83.01365	2.5
83.66372	0.5
85.02962	4.9
87.00883	1.2
89.02464	1.6
93.03457	1.3
95.01431	0.7
99.00884	1.3
99.04523	0.5
101.02464	6.5
101.57282	0.5
105.03516	0.8
113.02465	2.3
117.03477	1.1
119.03542	0.5
132.02188	18.4
133.03023	5.0
134.03764	12.0
135.04626	1.1
137.02466	2.3
139.66237	0.5
140.81281	0.5
149.06120	2.0
152.99606	3.8
160.01678	79.5
161.02063	4.7
161.04599	0.8
173.04585	0.6
175.04019	100.0
176.04375	5.6
177.05574	0.6
178.02670	1.0
179.03523	1.4
188.79250	0.6
191.03519	0.6
191.05763	0.6
193.05080	16.3
194.05324	0.9
237.09807	0.7
285.52911	0.6
383.07919	0.7
387.97318	0.5
398.12396	1.2
413.14575	64.0
414.14941	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22909	2.1
57.03455	100.0
57.36718	2.4
59.01385	81.6
69.43874	15.5
71.01400	11.1
73.02954	5.1
85.02957	4.9
94.03816	2.0
98.19942	4.4
99.04533	88.5
100.04897	2.8
101.02451	25.3
111.45721	2.0
113.02438	4.3
125.02450	41.3
128.86497	1.9
149.23900	1.9
161.04533	4.3
194.04707	2.1
214.52846	2.2
261.46613	1.9
269.10345	12.1
275.25049	2.0
366.34698	2.4
401.61322	2.3
413.14581	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	413.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79809	0.2
59.01380	0.5
71.55473	0.4
73.02835	0.2
78.95911	1.3
79.95744	1.5
96.96021	100.0
97.95977	0.4
99.92601	1.0
100.92628	0.6
103.61731	0.2
114.39864	0.2
115.92071	0.4
116.92874	0.5
118.71270	0.3
118.89982	0.7
119.89977	0.6
120.89662	0.3
134.89511	0.5
135.90329	0.3
291.03986	0.4
316.98663	0.3
395.14542	0.3
413.15857	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	413.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42823	1.9
52.66238	1.8
55.01870	2.5
59.01382	35.4
69.69060	5.3
69.69455	4.7
71.01394	25.4
73.02940	9.7
79.23553	2.2
83.01389	7.0
85.02953	17.7
86.00134	2.4
89.02448	8.9
95.01401	2.5
96.96013	2.9
98.19958	2.2
99.00863	3.1
99.08173	1.9
101.02444	28.9
109.02959	16.1
113.02483	14.4
135.03622	3.1
135.04555	29.2
149.06133	13.0
157.03294	1.9
159.03090	4.2
161.04575	11.7
161.05978	12.3
169.94521	2.0
171.04506	2.3
174.03165	2.9
177.38647	2.1
178.83896	1.9
179.03499	2.7
189.05594	23.9
190.06015	3.2
191.05540	3.1
202.65608	1.9
207.06660	29.5
221.10327	100.0
222.10611	5.5
225.25197	2.1
271.07788	2.5
289.07492	1.9
353.14575	51.0
354.14694	5.6
369.11951	3.9
413.10812	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93365	0.5
53.29540	0.5
55.01877	0.5
56.59059	0.6
57.03456	1.3
59.01386	100.0
60.01717	1.0
61.98832	0.7
69.03433	0.5
71.01392	9.3
71.15597	0.7
73.02954	3.2
83.01413	1.9
85.02960	4.9
88.08061	0.5
89.02448	2.3
95.01395	0.6
99.00886	0.8
101.02450	6.1
107.66545	0.6
111.00893	0.7
113.02465	3.1
118.96387	0.5
120.72801	0.5
125.02502	0.6
127.38849	0.6
133.03018	0.6
161.04585	2.7
188.33449	0.5
209.15569	1.6
270.04703	0.5
353.19913	1.9
358.67059	0.5
371.20813	9.1
372.21143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97694	3.1
59.01386	100.0
59.34777	2.8
71.01334	3.4
71.01688	6.0
75.40331	3.0
100.66923	3.2
295.24741	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31892	1.3
59.01386	100.0
61.82244	1.6
69.66461	9.2
82.83498	1.3
96.96018	1.5
139.03062	1.4
147.05232	1.5
169.32133	1.3
205.56743	1.5
239.20168	1.7
413.30606	3.4
413.35846	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	413.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98462	0.8
59.01387	38.4
60.01715	1.1
64.61169	0.8
65.27454	0.8
69.75457	4.7
75.00871	9.8
96.27896	0.8
98.20545	1.0
112.05573	0.7
126.44100	0.8
151.70192	0.8
207.68443	1.0
293.28629	1.8
333.31784	3.8
335.80530	0.8
337.27325	1.1
351.28391	1.8
351.32715	26.9
352.33170	4.2
353.30643	72.0
354.31021	9.3
355.28571	3.3
395.31696	11.0
396.32147	1.3
413.32736	100.0
414.33167	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	414.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
61.98840	1.0
63.38279	0.3
64.50887	0.4
66.63732	0.3
71.01007	0.5
71.01394	9.5
71.57240	0.4
72.99342	0.4
80.13080	0.3
82.89347	0.4
85.02962	1.3
87.00897	0.6
88.04057	1.4
89.02463	1.4
91.01919	0.5
93.03469	8.6
96.96026	0.4
101.02447	0.9
101.58317	0.4
107.05021	0.5
108.02188	3.2
108.28977	0.4
109.02967	2.7
113.02457	0.8
114.01981	0.6
115.00392	9.3
118.03009	9.3
119.03440	0.7
119.05134	0.5
121.02959	1.0
123.00869	0.5
132.03075	0.8
135.04536	1.0
136.04062	100.0
137.02480	5.0
137.04410	3.9
146.06146	2.6
151.04042	0.4
152.01173	3.2
153.01976	1.2
164.07191	5.3
165.05579	0.5
173.04634	0.5
174.18320	0.4
175.00293	0.3
176.04059	1.6
177.01994	0.4
178.02811	0.6
179.03426	0.6
181.05109	0.6
185.14726	0.3
190.05002	0.8
191.05641	1.7
193.05046	1.3
205.08798	0.8
208.06189	8.8
209.06473	0.5
234.04137	1.7
243.08458	0.5
252.05161	13.3
253.05353	0.8
314.05032	0.4
357.08185	0.4
396.09561	0.6
414.10464	27.8
415.12183	4.1
417.09830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20835	0.5
54.58498	0.5
56.23597	0.6
59.01384	7.0
68.78044	0.5
69.78835	2.2
71.01382	5.2
73.02952	1.6
79.02422	0.6
81.03456	1.9
85.02969	4.2
93.03447	1.2
95.01405	2.5
99.00919	0.8
101.02459	2.1
105.01937	0.8
107.05028	0.6
108.02184	84.1
109.02974	67.0
109.03564	0.4
110.03278	2.3
113.02457	2.4
115.86711	0.6
117.05595	1.0
119.00967	0.5
119.62359	0.6
121.02966	2.4
123.00904	2.3
123.04510	1.0
133.02956	0.9
135.00848	0.9
135.04552	1.0
136.63519	0.6
144.66788	0.5
147.03000	0.8
151.03983	1.9
152.01164	84.3
153.01962	30.0
154.02299	1.0
154.57135	0.6
163.03947	1.7
165.01875	1.4
194.41045	0.6
195.03015	0.6
280.25775	0.7
297.06189	0.8
315.07254	6.3
357.08246	13.6
357.12289	1.0
358.08652	1.6
397.11368	5.8
398.11996	0.7
415.12466	100.0
416.12823	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	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.8
59.01387	100.0
60.01725	2.0
61.40022	0.9
71.01402	7.6
71.55711	1.6
73.02953	2.6
81.03469	1.9
83.01382	1.8
85.02972	4.3
85.74278	0.9
89.02446	5.8
91.01888	1.8
93.03469	4.2
99.00901	1.4
99.04543	4.1
100.04861	0.8
101.02465	4.7
107.04971	1.2
113.02470	3.6
119.01395	1.7
119.03458	1.1
121.02959	4.8
123.04540	11.7
125.02428	2.2
125.50610	1.0
131.03461	1.7
131.76282	0.9
137.02441	2.5
149.04568	2.4
151.04019	57.6
152.04367	2.5
167.03513	28.8
168.03804	1.6
173.04562	2.0
179.03531	1.3
181.05035	1.0
191.03534	6.3
191.05617	3.0
209.04520	2.9
371.09723	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01702	0.6
69.44570	3.5
71.01402	1.0
78.65338	0.5
85.95518	0.5
89.02471	0.7
91.01897	1.2
93.03488	1.4
101.02489	0.7
109.02980	1.2
113.02480	0.5
121.02981	1.2
123.04613	0.5
137.02524	1.7
151.04022	19.3
152.04427	0.7
153.02008	1.4
157.33171	0.6
175.04108	0.6
191.05620	0.9
194.75166	0.6
248.50125	0.5
269.04651	0.7
315.07330	0.6
321.15320	0.6
399.90997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18887	0.5
52.13791	0.5
59.01388	100.0
60.01720	1.0
64.70586	0.5
70.13377	2.0
71.01395	1.1
85.02982	0.9
91.01922	1.4
93.03480	1.4
96.83238	0.5
109.02968	0.7
121.02999	1.0
137.02478	1.6
151.04033	18.8
152.04420	1.0
183.78012	0.5
237.28011	0.5
246.64015	0.5
269.04532	0.6
279.16321	0.5
350.31631	0.6
351.14578	0.5
354.50818	0.5
397.79514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16977	0.7
54.22800	0.7
55.01883	3.2
57.03456	2.8
58.00602	4.6
59.01385	100.0
60.01727	1.3
64.09215	0.7
66.06519	0.8
69.03478	3.4
71.01389	73.3
71.56373	1.2
72.01726	0.8
72.99316	5.7
73.02958	8.5
74.99100	1.0
75.00889	1.2
81.03471	2.7
83.01398	7.3
85.02959	15.4
87.00887	14.1
89.02454	75.3
90.02777	1.1
95.01404	6.3
97.02950	7.7
97.24210	0.7
99.00867	3.7
99.04524	0.9
101.02455	59.3
102.02789	1.4
103.00395	0.8
109.02972	1.1
111.00903	1.0
111.04557	1.0
113.02454	26.2
114.02853	0.8
115.04041	0.8
119.03516	25.3
120.03894	0.9
120.30867	0.7
121.02979	1.1
123.00883	1.0
125.02466	14.6
131.03552	4.0
137.02550	0.8
143.03497	11.0
149.04596	2.0
153.09218	1.1
155.14421	1.5
161.04568	12.6
165.95834	0.7
167.03627	1.0
176.02196	0.7
179.05618	23.7
180.06001	1.1
185.04535	2.3
186.10890	1.9
187.07948	1.1
221.06627	6.3
235.08253	12.1
249.22292	1.6
253.09326	7.2
255.79034	0.7
263.07758	4.8
271.69205	0.9
287.07791	2.6
293.21228	3.4
305.08844	2.8
323.09653	1.0
326.85880	1.0
327.19974	12.0
328.20377	0.9
397.13586	1.2
415.14609	88.0
415.21375	9.2
416.14987	9.5
416.20703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01882	1.8
57.03452	1.2
58.00603	3.1
59.01385	81.7
59.32600	0.5
60.01728	0.7
69.03451	0.8
69.65820	3.1
71.01390	68.7
71.84302	0.5
72.01745	0.8
72.23225	0.6
72.43008	0.5
72.99316	3.9
73.02955	16.3
75.00863	0.8
83.01409	3.6
85.02958	13.6
87.00885	2.6
89.02453	100.0
90.02785	1.3
95.01405	1.4
97.02947	1.1
99.00892	16.2
101.02455	39.2
104.24364	0.5
109.02935	0.7
113.02460	15.3
115.04020	0.7
119.03522	9.3
125.02478	4.2
131.03523	19.2
132.03835	0.5
143.03497	1.7
149.04573	46.2
150.04875	1.4
159.02980	0.8
161.04599	6.7
165.62561	0.5
173.04648	0.6
179.05646	4.3
191.04054	0.8
191.05652	13.6
221.06531	1.1
251.07645	1.5
258.95685	0.5
283.09293	0.5
283.11923	5.3
292.89844	0.5
315.04221	0.5
415.16183	6.0
416.16461	0.7
426.35489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03455	2.6
58.00603	2.2
59.01386	100.0
60.01720	0.7
61.98838	10.2
69.67284	0.7
71.01388	31.7
71.56281	1.0
71.56641	0.7
72.99327	2.3
73.02948	6.3
80.02615	0.6
83.01398	3.0
83.05047	0.9
85.02956	12.6
87.00883	3.5
89.02453	21.3
93.03465	1.8
95.01416	1.6
96.96005	0.7
97.06615	1.1
99.00905	2.7
101.02448	20.3
107.90909	0.6
109.02983	0.8
113.02460	11.6
119.03518	8.8
121.02972	1.0
125.02488	0.7
131.03532	2.7
135.04582	1.5
137.02478	2.2
143.03581	1.2
145.02989	1.3
159.03067	1.7
161.04553	9.2
163.03998	3.4
173.04616	2.0
178.06384	4.0
179.05641	1.6
191.05721	1.6
193.08687	5.3
221.06731	3.0
253.18144	1.8
294.02206	0.7
303.08893	0.8
350.78305	0.7
371.11411	0.8
397.10318	0.7
415.18948	1.4
415.23904	4.6
416.23840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52211	0.4
50.90529	0.5
52.18080	0.4
55.01883	1.8
57.03447	2.4
58.00605	1.9
59.01385	100.0
60.01712	1.1
66.48040	0.5
71.01389	43.4
72.01704	0.5
72.99314	3.4
73.02959	8.2
75.00874	0.6
81.03484	0.8
83.01406	4.5
83.05038	0.6
85.02959	14.7
85.03461	0.9
87.00896	2.1
87.04532	0.7
87.42099	0.4
89.02454	34.2
90.02814	0.5
93.03474	1.5
95.01393	2.5
95.46611	0.4
96.96049	0.7
97.02965	0.7
98.20728	1.2
99.00878	2.8
99.04552	0.7
101.02454	32.4
102.02814	0.7
113.02464	16.9
117.03502	1.4
117.29903	0.4
119.03517	15.6
119.05144	0.5
120.99686	0.6
121.03030	0.6
125.02485	1.0
131.03549	1.6
133.02954	0.5
135.04570	1.4
137.02481	1.1
143.03514	2.6
149.04601	1.3
152.07214	1.3
159.03061	1.6
161.02556	1.0
161.04581	6.5
163.03981	2.7
173.04611	1.6
177.02039	0.7
178.06422	2.0
179.05606	2.5
191.03627	0.6
191.05540	0.9
192.34941	0.5
193.08736	4.0
217.15869	0.8
229.61713	0.5
250.07326	0.7
253.18288	1.0
269.04510	0.7
283.06180	3.6
311.05566	6.4
323.06070	0.6
341.06827	1.2
355.21765	0.7
373.18906	0.6
397.22491	2.6
415.10327	5.8
415.14972	0.9
415.23712	6.2
416.25931	0.6
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
59.01385	100.0
60.01712	1.4
61.98850	1.1
69.82478	1.3
69.82870	1.5
71.01395	5.2
72.89246	0.6
72.99309	0.8
73.02957	1.2
85.02975	1.9
89.02441	4.2
95.01427	0.7
101.02468	2.8
113.02473	1.2
117.08251	0.6
119.03527	1.3
121.13126	0.6
131.31250	0.6
161.04567	1.2
263.16501	0.6
263.65378	0.7
267.07187	0.9
271.54578	0.6
415.23459	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	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01734	1.1
69.08992	0.5
69.24247	4.3
71.01395	4.8
73.02968	1.2
75.00880	0.6
83.01400	0.9
85.02964	1.3
87.00901	0.7
89.02473	2.3
96.96060	0.5
101.02477	2.3
113.02472	2.3
117.03490	1.2
119.03525	0.8
119.05007	3.2
121.02985	0.8
125.02489	0.7
145.03006	1.8
154.98244	0.5
161.04599	1.0
163.04036	2.9
179.05757	0.7
183.09811	0.5
191.05731	0.8
191.62444	0.5
193.06647	0.6
250.56496	0.5
263.16595	0.6
271.02560	0.5
299.02087	1.8
313.03641	1.0
314.04343	1.4
329.06766	3.8
335.08597	2.8
373.22626	0.7
415.23361	1.9
418.39407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.06755	0.4
55.01878	2.4
57.03452	1.8
58.00598	2.7
59.01385	100.0
60.01714	1.2
69.03471	1.5
69.44757	1.0
69.45160	2.2
71.01389	60.5
71.05038	0.5
72.01730	1.2
72.02126	0.4
72.99316	2.7
73.02953	64.5
74.03303	0.8
75.00894	1.1
80.61719	0.4
81.03484	1.1
83.01396	19.5
84.01704	0.5
85.02955	10.6
87.00892	2.7
89.02454	27.1
90.02756	0.5
93.03466	0.4
95.01398	3.1
97.02968	0.9
99.00884	2.3
99.04536	0.6
101.02454	67.6
102.02779	1.6
113.02461	20.3
114.02750	0.4
115.00360	0.6
115.10779	0.3
119.03519	11.1
119.04927	0.6
120.99613	0.4
125.02451	2.8
129.01906	0.4
131.03525	4.0
137.02396	0.6
143.03510	4.2
149.04581	3.5
155.03517	1.8
159.02939	1.0
161.04570	12.1
162.04874	0.4
163.03999	0.7
166.51485	0.3
175.02478	0.6
177.01997	0.5
179.05574	1.1
181.12401	0.4
191.05495	0.4
193.12346	8.9
194.12637	0.4
203.05467	0.6
211.13341	1.1
221.06697	0.4
283.06088	1.0
311.05511	1.0
341.06659	0.4
355.17700	3.7
356.17902	0.4
373.18671	8.1
374.18616	1.1
397.21948	0.6
415.10126	1.3
415.19388	18.0
416.19522	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	415.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.1
59.70435	0.9
70.01450	0.8
78.95905	4.2
91.75867	0.9
138.98369	0.8
145.20125	0.9
152.99606	23.2
153.20200	1.0
162.11699	1.0
207.06662	7.3
208.07307	2.5
229.09579	0.9
249.19986	1.0
279.23306	100.0
280.23590	10.5
321.81961	1.0
400.81424	1.0
415.24643	6.4
415.32614	6.6
416.24515	1.1
416.32602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
59.82079	0.5
62.78225	0.5
64.41847	0.5
69.62950	3.2
71.01390	0.9
73.98382	0.5
74.99107	6.9
76.15517	0.6
77.00673	76.3
78.01011	0.6
78.95908	0.8
147.08173	2.9
147.50401	0.5
149.09727	1.0
161.09766	1.2
163.11330	2.3
175.73404	0.5
187.11259	2.9
193.20113	0.5
240.92941	0.5
247.67102	0.5
250.91434	0.5
279.14053	0.9
280.14661	1.4
307.16980	0.8
309.22247	3.0
322.19537	0.7
337.21756	100.0
338.22061	14.8
361.11938	0.6
415.23447	11.6
415.32379	15.4
416.23596	1.7
416.32614	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68644	0.7
55.01882	2.5
57.03441	3.7
58.00597	1.7
59.01386	100.0
60.01714	1.6
61.69983	0.7
69.03432	1.1
69.23152	4.3
69.23573	3.2
71.01391	65.1
72.01735	0.9
72.99315	3.5
73.02956	16.7
75.00861	1.5
83.01395	7.5
83.05033	1.6
85.02962	23.4
86.00108	1.2
87.00909	6.6
89.02452	34.4
91.44334	0.8
93.03451	1.8
95.01397	3.7
96.54934	0.8
97.02953	0.9
97.06609	1.1
98.20683	2.0
99.00898	5.2
101.02457	38.6
109.02954	2.4
113.02459	26.2
114.02747	1.5
119.03516	13.8
121.02942	1.3
125.02449	1.8
129.01932	1.3
131.03537	10.7
133.02975	2.1
135.04480	1.2
137.02446	1.1
143.03502	3.4
145.02972	11.7
146.03749	1.4
149.04555	1.5
151.04031	1.3
159.02982	3.2
161.02481	1.4
161.04578	23.5
162.04822	0.8
163.04089	0.8
173.04558	2.7
175.03871	0.8
175.14970	1.7
176.50720	0.8
179.05582	3.7
187.38956	0.8
191.05553	1.2
193.12352	1.0
204.04332	4.2
205.05064	3.5
217.05060	0.9
219.06581	5.7
221.06670	11.3
222.07172	1.0
232.03882	1.1
235.17030	1.7
253.18092	1.2
281.04379	1.1
282.05054	1.1
311.05795	3.8
311.08835	0.9
329.19565	1.9
371.11444	5.8
373.21979	1.1
385.04318	0.9
415.09952	1.9
415.18497	1.5
415.23264	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	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03460	1.2
57.06216	0.6
59.01385	100.0
60.01718	1.3
61.51142	0.6
61.98829	0.8
70.76293	1.6
70.99046	0.7
71.01387	15.4
72.99329	1.0
73.02964	3.6
75.99824	0.5
78.76212	0.6
79.95760	0.7
83.01390	4.4
83.05069	0.8
85.02964	6.0
87.00910	1.4
89.02456	9.9
93.03451	1.5
95.01401	1.9
96.96014	1.2
97.30123	0.6
99.00931	2.0
101.02449	8.6
109.02979	0.9
113.02460	5.8
119.03487	4.7
143.03531	1.5
145.02991	2.2
146.03764	3.7
147.04594	1.2
149.04623	0.9
151.04062	1.1
159.03072	0.8
161.02528	0.8
161.04562	4.1
163.04086	1.9
173.02480	1.3
173.04597	1.8
175.04070	0.7
182.14969	0.6
186.72488	0.7
188.04790	0.6
190.02765	1.4
191.05630	1.3
203.03676	1.5
204.04344	6.1
205.05087	17.3
206.05405	0.8
217.05106	1.6
221.06779	1.3
225.25175	0.6
253.18048	1.1
311.05710	0.9
311.09445	1.1
339.08908	1.1
371.11548	1.7
415.23676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00616	0.5
59.01386	100.0
60.01744	0.6
69.92088	2.0
71.01389	11.5
72.99328	1.0
73.02950	2.3
78.84386	0.4
83.01397	1.3
85.02959	4.6
87.00900	0.5
89.02455	9.8
93.03477	1.8
95.01409	0.9
95.85242	0.4
96.96039	0.6
97.13171	0.4
101.02452	7.0
113.02475	5.5
119.03535	4.2
125.26324	0.5
133.02995	0.7
135.04587	0.8
137.02477	0.7
143.03491	0.7
161.04622	1.8
173.04614	2.4
179.03500	0.6
179.05594	0.7
191.05605	2.6
235.26790	0.5
251.03864	0.4
269.04276	0.5
344.07376	0.5
415.23550	1.4
423.09329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74148	0.6
55.01882	3.0
55.81900	0.7
57.03460	3.0
58.00608	2.3
59.01385	100.0
69.03481	1.3
69.23199	6.2
71.01389	59.3
71.05029	1.2
72.01735	1.2
72.99329	2.9
73.02954	41.2
75.01572	0.6
81.03481	2.1
83.01394	12.7
85.02963	15.0
86.28285	0.6
87.00893	2.9
89.02454	40.5
90.02782	0.8
93.03500	1.8
95.01399	3.3
97.02964	0.9
99.00890	3.3
99.04543	1.3
101.02457	58.0
102.02792	1.1
107.01339	0.7
113.02464	25.4
114.02807	0.8
117.03480	3.4
119.02664	1.3
119.03509	18.9
119.04328	1.2
121.02969	1.0
125.02442	1.5
129.01945	0.8
131.03537	4.1
133.03004	1.0
137.02469	0.8
143.03503	5.1
149.04573	3.1
155.03571	1.0
159.03023	1.1
161.02467	2.6
161.04558	11.7
163.04063	2.1
163.57133	0.7
173.04605	1.0
179.03467	0.7
179.05663	2.8
191.05576	0.8
193.08699	0.8
193.12396	5.0
269.04575	1.5
281.04538	1.5
283.06122	10.1
284.06641	1.3
293.04785	0.8
311.05627	13.7
312.06067	1.2
323.05692	2.2
341.06689	3.0
341.10443	0.8
343.17734	2.0
355.01456	0.7
355.17706	1.8
373.18777	5.4
374.19052	1.1
396.01999	0.7
397.22293	0.7
415.10498	15.7
415.19473	5.4
415.24313	10.9
416.10953	2.2
416.19489	1.1
416.24460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38628	2.0
59.01386	100.0
60.88792	1.8
68.99599	2.1
69.53512	13.4
98.19836	3.3
176.90869	1.7
272.16452	2.0
279.23370	3.6
321.21939	3.5
415.24875	7.9
415.32126	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	415.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62500	3.2
58.14956	2.3
58.36895	2.5
59.01388	75.9
62.05095	2.6
63.08344	2.5
69.63422	17.6
162.83934	4.6
264.18066	2.6
285.36346	2.9
344.08041	3.6
346.90475	3.0
415.32211	100.0
416.32468	12.1
437.74661	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	415.3221
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
56.84001	0.2
58.40790	0.2
59.01383	0.6
71.57433	0.3
78.64423	0.2
143.16838	0.2
143.31116	0.2
415.32266	100.0
416.32593	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	415.3222
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01381	1.5
61.99123	0.4
66.76697	0.4
69.03452	0.3
69.11829	0.3
69.33788	1.2
69.34219	1.5
71.74472	0.3
85.36401	0.3
87.63379	0.3
109.06584	0.4
124.91322	0.3
151.04039	0.4
152.99583	1.3
240.48955	0.4
279.23306	9.1
280.23651	1.1
321.90543	0.4
372.09290	0.3
390.23706	0.3
415.32220	100.0
416.32559	15.5
419.33600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3221
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01379	2.3
69.06001	0.5
70.87732	0.6
70.88075	1.2
78.95915	1.0
87.26280	0.5
96.28522	0.5
96.96050	0.6
102.79313	0.5
132.84596	0.5
152.99612	3.8
163.11272	0.6
180.14552	0.5
279.23297	19.3
280.23700	1.8
415.32190	100.0
416.32498	16.8
424.69131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
56.15178	1.1
57.03452	2.2
59.01388	24.1
61.98830	6.8
63.30271	1.1
66.95093	1.2
67.01869	1.5
69.59410	7.7
71.01397	15.5
72.99328	3.0
73.02953	3.5
75.00879	3.8
80.81702	1.2
83.01421	2.2
85.02956	12.9
87.00885	4.9
89.02458	8.1
90.46394	1.2
91.01900	1.8
93.03465	43.7
95.01418	2.5
99.00903	2.3
101.02467	7.0
107.05051	1.5
108.02180	4.1
109.02982	2.7
111.00871	2.8
111.04530	3.0
113.02447	10.4
119.03506	1.8
123.04536	26.7
134.03795	1.9
135.04536	28.1
135.06651	2.3
136.01663	3.8
137.02461	100.0
151.04031	2.4
152.01199	3.3
153.01888	3.4
155.03488	2.9
161.02478	2.0
167.03499	17.1
173.04568	42.8
173.06065	2.6
179.03506	36.2
180.03880	2.7
191.05630	20.8
209.04451	1.9
239.05704	7.1
241.07198	1.9
249.06081	10.2
267.07214	3.7
281.06662	4.6
285.09802	8.1
296.60867	1.5
353.08771	23.2
354.09091	1.4
381.60004	1.4
399.09198	1.8
416.12601	2.5
417.14352	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.0
61.98838	10.9
69.30369	6.1
69.30770	2.3
71.01382	5.5
75.00873	1.0
85.02943	8.2
87.00880	2.0
89.02452	2.1
93.03460	6.8
95.01433	1.3
97.07412	1.0
97.85796	0.9
101.02448	2.6
108.02187	2.6
109.02995	1.0
113.02427	1.5
113.65517	1.0
117.93327	1.0
123.04543	10.7
125.02471	4.6
127.04006	1.8
135.04497	2.7
136.01642	1.2
137.02455	8.8
138.07475	1.0
139.04022	1.5
150.94168	1.1
151.03944	1.4
152.01154	2.3
153.01678	1.0
161.02377	1.9
167.03458	1.3
167.77870	0.9
168.00667	1.6
173.04585	4.3
179.03419	2.9
191.05629	100.0
192.06009	4.2
193.05156	1.3
194.05341	1.9
285.09717	3.5
295.64523	1.0
331.06772	2.2
353.08771	11.0
373.07828	2.4
416.12677	1.7
417.14166	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	417.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
64.00243	1.0
69.03450	4.3
71.00915	2.3
71.01363	2.4
75.00893	0.9
77.50403	0.9
79.01900	1.3
81.03452	2.1
85.02949	4.0
87.00900	1.2
89.02462	1.4
93.03458	3.7
95.01398	2.7
97.02962	5.1
107.01393	3.1
108.02177	5.0
109.01111	1.1
109.02946	2.4
111.00838	1.3
113.02406	1.0
121.02983	1.4
123.00897	8.9
123.04487	1.2
124.00767	1.0
124.01672	27.5
125.02457	99.2
126.02791	4.3
135.04463	1.2
137.02464	6.9
138.03236	0.9
149.02371	1.2
149.99597	50.8
150.03232	3.0
151.00407	5.2
152.01160	7.4
155.71597	1.0
157.01570	1.1
161.02458	1.5
165.01851	1.1
165.05560	4.4
167.03510	2.3
168.00652	100.0
169.01437	11.6
173.04533	1.1
174.44846	1.1
179.03514	1.5
191.05591	5.2
192.05875	2.7
192.40884	0.9
248.79871	1.0
255.20912	1.0
313.05539	4.6
331.06720	70.9
332.07074	6.6
355.06595	6.3
355.75916	1.0
373.07770	77.4
374.08185	7.7
376.76602	1.0
379.39948	1.1
399.13004	1.3
417.10236	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	417.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46765	0.2
59.01385	2.5
60.52908	0.2
63.02428	0.2
65.00335	1.0
67.01925	0.3
69.03471	0.2
71.01386	1.2
71.58147	0.3
72.99320	0.2
73.02983	0.6
77.03965	1.0
79.01949	0.8
81.03502	0.6
83.01383	0.9
83.05067	0.2
85.02972	1.2
89.02490	0.6
91.01929	0.2
93.03467	1.5
95.01444	0.7
95.05062	0.3
96.99379	0.3
97.02948	1.0
97.06576	0.2
101.02492	0.6
105.03528	0.6
107.01445	1.0
107.05081	0.3
108.02231	0.4
109.02975	3.5
111.04604	0.2
113.02511	0.4
117.03506	0.6
119.05039	1.2
121.02971	2.9
121.03760	0.2
123.00919	0.4
123.04558	0.5
124.83376	0.2
125.02458	1.8
131.05090	0.2
132.02242	0.7
133.02969	25.1
133.29671	0.2
134.03835	2.3
135.00935	1.0
135.04539	3.0
136.01688	0.4
137.02455	1.8
138.03246	0.2
139.04056	0.3
145.03012	0.9
146.03801	0.4
147.04552	1.8
148.01711	0.7
149.02478	2.5
150.03159	0.2
151.00363	1.7
151.04050	0.9
152.01138	0.2
153.01979	0.3
153.05614	0.3
155.03581	0.3
155.05043	0.2
158.03842	0.3
159.04581	0.7
161.02467	4.1
162.03117	0.4
163.00389	5.1
163.01678	0.3
163.04033	4.0
164.01025	0.4
164.04784	0.2
165.01944	2.9
166.02757	0.3
171.04553	0.3
173.02483	0.9
173.04608	1.5
173.05980	0.3
174.03291	0.6
175.00479	0.3
175.04028	5.8
175.05519	0.4
176.04498	0.2
177.01942	1.8
178.02654	0.2
179.03516	1.1
181.05112	0.6
181.06639	0.2
183.04535	0.2
185.02524	0.4
185.06145	0.6
186.34528	0.2
187.04077	0.6
188.01299	0.3
189.02026	0.7
189.05649	0.6
189.99042	0.4
190.02731	0.2
190.99837	0.2
191.03566	2.3
191.05684	1.4
192.04086	0.3
193.01450	1.8
193.05104	0.5
195.04645	0.3
196.05272	0.3
197.06128	0.5
198.03294	0.8
198.06638	0.2
199.04033	2.6
199.07709	0.3
200.04567	0.4
201.01892	2.3
201.05586	0.4
202.02669	0.4
203.03506	1.3
205.01472	0.3
207.02867	0.2
209.06186	0.5
211.04042	1.4
211.07710	0.4
212.04782	0.9
213.05653	1.6
214.06320	0.3
215.03508	0.3
217.05132	1.0
224.04861	0.6
225.05624	2.2
226.06136	0.4
227.03572	1.9
227.07112	0.5
228.04231	0.3
229.01378	0.6
229.05026	1.1
231.06560	0.5
237.05624	0.8
238.06033	0.2
239.03590	0.3
239.07140	0.4
240.04295	1.1
241.05070	2.5
242.05621	0.3
243.02985	0.9
243.06694	0.4
251.03455	0.5
252.04462	0.4
253.05087	2.2
254.02200	0.3
254.05574	0.6
255.02968	1.6
255.06726	0.9
256.03729	0.7
257.04541	0.7
265.05014	0.3
267.03214	0.4
267.06668	0.6
269.04596	2.9
270.05170	0.9
271.06116	0.6
272.06293	0.3
279.03052	0.2
281.04477	0.7
283.02652	0.2
283.06125	0.5
284.03290	13.1
285.04047	18.4
286.04364	1.7
293.04636	0.4
295.02725	0.3
296.06790	0.3
297.04074	33.0
298.04794	25.6
299.05600	21.8
300.06006	2.0
309.04138	1.3
310.04614	0.3
311.05652	7.0
311.08804	0.2
312.05988	0.9
324.02719	2.1
325.03513	1.7
325.07257	0.7
326.04041	0.3
327.05112	100.0
328.05460	9.9
335.05630	0.3
337.07278	0.3
339.05112	8.2
340.05539	1.1
341.06531	1.6
342.07123	0.3
353.06564	0.7
355.04443	0.3
357.06183	57.5
358.02255	0.4
358.06534	6.0
363.05011	1.2
364.05118	0.2
369.06119	1.9
381.06204	2.9
382.06281	0.4
399.07211	7.8
400.07382	0.9
417.08215	54.8
418.03128	0.5
418.08560	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	417.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72773	0.9
59.01389	56.8
60.01728	1.2
61.98841	3.1
65.00325	1.7
69.25561	7.8
69.25980	3.1
71.01382	16.2
73.02961	5.1
77.44192	0.9
79.01914	1.2
81.03465	1.0
83.01382	3.3
83.46646	1.0
85.02974	7.6
87.00880	1.7
89.02457	4.6
90.02768	1.4
91.02878	1.2
93.03460	3.0
94.78608	1.0
95.01402	1.5
97.02969	1.4
98.20660	2.6
98.48801	1.1
99.00876	2.9
101.02465	9.9
107.01378	1.8
109.02948	3.3
113.02446	6.5
119.03545	1.4
119.05086	1.1
121.02941	4.2
125.02463	2.7
128.03554	4.5
133.02971	32.7
134.03734	1.9
135.04510	3.8
137.02463	5.3
143.03503	1.9
149.02441	3.5
151.00374	4.3
159.03014	2.3
161.02443	4.0
161.04579	18.9
163.00381	7.4
163.04025	5.3
165.01974	3.2
165.09209	2.5
166.02684	3.8
167.03407	1.2
173.02406	1.4
173.04590	5.1
175.04034	7.1
177.01888	2.8
179.03476	3.1
181.05095	6.1
187.04002	1.7
189.01918	1.2
190.02481	1.1
191.03523	3.1
191.05618	3.6
193.01447	2.9
199.04015	4.5
201.01982	3.7
203.03542	1.4
207.06404	1.1
211.04048	1.5
213.05565	1.3
217.05089	1.7
225.05605	2.5
227.03445	2.3
240.04276	1.8
241.05005	2.4
243.03004	1.5
251.03482	1.2
253.05017	3.9
255.03200	1.8
255.06377	1.1
256.03558	1.4
267.06686	1.7
269.04443	5.2
271.06113	1.5
281.06680	3.4
284.03317	13.1
285.04077	33.1
286.04419	2.6
289.12405	1.9
297.04074	54.9
298.04785	42.4
299.05573	26.3
300.05963	1.7
309.04056	2.3
311.05521	12.2
312.06006	1.6
324.02756	3.8
325.03635	2.7
327.05121	100.0
328.05527	10.4
339.05154	18.8
341.06693	4.0
357.06195	98.4
357.15366	9.3
358.06573	10.3
369.06146	3.0
381.06479	2.9
399.07260	23.3
400.07562	3.3
417.08240	90.1
418.08557	12.4
418.16708	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	417.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.64207	0.3
65.00336	0.7
65.68051	0.2
69.22684	0.3
69.28493	1.6
69.28920	1.0
77.03950	1.1
77.91776	0.3
79.01928	0.6
79.87330	0.2
83.01373	0.5
93.03468	0.8
95.01393	0.4
97.02940	1.1
105.03487	0.6
107.01411	0.7
108.02180	0.3
109.02974	2.3
113.62460	0.3
118.52801	0.2
119.05017	1.2
121.02977	1.6
123.00854	0.3
123.04446	0.4
125.02436	1.3
125.43633	0.3
131.05017	0.3
132.02136	0.4
133.02963	17.0
134.03664	1.2
135.04536	1.9
137.02428	1.0
145.02927	0.6
147.04530	1.2
148.01669	0.4
149.02440	1.6
151.00348	1.1
151.04016	0.5
159.04344	0.3
161.02451	2.4
163.00371	3.2
163.04025	3.7
165.01944	2.5
165.17610	0.3
173.02475	0.8
175.00386	0.5
175.04015	3.9
176.01314	0.4
176.04503	0.4
177.01913	1.0
179.03479	0.6
183.04498	0.5
185.02437	0.4
185.06105	0.5
189.05650	0.4
190.42513	0.3
191.03474	2.1
191.05411	0.4
193.01414	1.7
194.01865	0.4
196.05333	0.4
198.03127	0.4
199.03996	1.7
201.01958	1.9
201.05667	0.4
203.03516	0.7
211.04022	0.7
211.07570	0.5
212.04761	0.7
213.05634	1.3
217.05109	0.7
223.49524	0.3
225.05589	1.2
226.02721	0.4
227.03494	0.8
227.06964	0.5
229.01498	0.4
229.05032	0.4
231.06615	0.5
237.05438	0.3
239.03499	0.6
240.04291	1.4
241.05150	1.3
243.02968	0.5
251.03511	0.5
253.05032	1.4
254.05785	0.3
255.02968	0.7
255.06557	0.9
256.03778	0.7
265.04941	0.4
267.06818	0.4
269.04666	1.4
270.05447	0.4
271.05945	0.6
281.04590	0.6
283.06113	0.4
284.03268	11.2
285.04041	7.8
286.04449	0.5
297.04062	17.0
298.04794	12.4
299.05606	20.9
300.05930	2.0
309.04095	1.5
311.05643	3.6
324.02750	1.2
325.03525	0.7
325.07260	0.4
327.05099	100.0
328.05475	9.9
328.09518	0.4
335.05212	0.3
339.05096	3.8
340.05832	0.4
341.06534	0.8
353.06595	0.4
357.06174	23.6
358.06467	2.1
363.04971	0.8
369.06171	1.4
374.43146	0.3
381.06140	2.5
382.06479	0.5
399.07397	0.4
417.08279	37.1
418.08685	4.9
440.65359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
65.00329	1.2
69.39091	3.0
69.39500	0.9
71.01383	0.8
77.03983	0.6
79.01917	0.9
83.01416	0.7
84.13792	0.5
85.02998	0.8
89.09425	0.5
93.03473	1.0
97.02967	0.8
98.19850	0.5
105.03465	0.8
107.01425	1.6
109.02975	4.3
117.03501	0.6
119.05087	1.3
121.02979	2.9
125.02486	1.1
132.02231	0.6
133.02969	28.7
134.03824	2.5
135.00868	1.2
135.04533	1.3
137.02454	1.4
145.02968	0.8
147.04553	1.2
149.02470	2.9
151.00403	2.0
151.04031	1.0
161.02469	4.5
163.00400	5.9
163.04001	4.3
164.01083	0.7
165.01935	3.2
171.04585	0.6
173.02391	0.9
173.04620	1.0
175.04016	7.1
176.04424	0.6
177.01955	3.5
179.03496	1.7
185.02478	0.6
185.06111	0.6
189.02153	0.6
191.03528	2.1
191.05553	1.2
193.01529	0.8
197.06100	1.3
198.03233	0.7
199.04041	2.8
200.04686	0.6
201.01942	3.0
203.03513	2.1
209.06169	0.6
211.04105	1.7
213.05536	1.5
217.05144	0.7
224.04781	0.8
225.05592	3.0
227.03526	2.5
227.07005	0.6
229.01405	0.6
229.05020	1.4
240.04201	1.5
241.05113	2.3
243.02977	1.2
251.03452	1.4
253.05132	3.8
255.02962	2.6
255.06764	0.8
256.03876	0.7
257.04535	0.7
267.06570	1.0
269.04559	4.3
270.05261	1.5
284.03287	13.3
284.06436	0.7
285.04071	26.6
286.04337	2.2
297.04071	47.7
298.04791	34.3
299.05588	22.6
299.09143	0.7
300.06003	1.5
309.03961	1.9
310.04742	0.6
311.05643	11.2
312.05933	1.2
324.02823	2.2
325.03510	2.3
325.07159	0.9
327.05121	100.0
328.05496	11.2
339.05124	12.9
340.05405	1.2
341.06696	2.4
353.06650	1.2
357.06183	86.9
358.06512	10.2
363.05261	1.5
369.06189	2.2
381.06281	3.7
387.07275	1.1
399.07239	14.8
400.07562	1.7
417.08282	92.0
418.08585	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	417.0831
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
55.01870	0.4
57.03438	0.4
58.20937	0.2
59.01386	5.7
65.00325	1.1
67.01878	0.3
69.03473	0.5
69.44200	0.2
69.46704	1.3
69.47105	0.6
71.01388	3.0
72.99314	0.4
73.02946	1.7
77.03963	1.0
79.01907	0.8
81.03476	0.4
83.01406	1.6
85.02976	1.7
87.00883	0.5
89.02460	1.1
93.03481	1.8
95.04997	0.3
97.02963	1.1
97.06614	0.3
100.20879	0.3
101.02444	2.1
105.03448	0.6
107.01410	1.1
108.02234	0.4
109.02977	3.4
111.04544	0.4
113.02454	0.9
117.03468	0.7
119.03539	0.5
119.05023	1.1
121.02973	2.6
123.00893	0.6
125.02468	1.9
130.34204	0.2
132.02162	0.4
133.02966	20.3
134.03845	1.4
135.04538	2.7
137.02466	1.4
145.02921	0.7
147.04501	1.4
147.60201	0.3
148.01735	0.5
149.02466	1.9
151.00381	1.6
151.03983	1.0
151.11348	0.3
155.03520	0.4
161.02449	2.9
161.04543	0.4
161.06009	0.3
163.00363	3.2
163.04024	3.8
164.01085	0.4
165.01962	1.9
166.02661	0.8
167.03494	0.3
171.04501	0.4
173.02458	0.7
173.04587	2.1
173.05966	0.5
174.03270	0.3
175.00549	0.4
175.02522	0.5
175.04005	5.3
177.01921	1.9
178.02582	0.3
179.03479	1.1
179.04893	0.3
181.05069	1.5
185.02492	0.3
185.06110	0.3
187.03978	0.4
189.01929	0.4
189.05566	0.3
191.03630	2.2
191.05495	2.0
193.01456	2.2
193.05072	0.4
195.10260	1.1
196.05301	0.6
198.03262	0.6
199.04027	2.2
200.04556	0.3
201.01967	1.8
202.02617	0.5
203.03551	0.9
203.85764	0.2
209.06056	0.3
211.04063	1.1
211.07635	0.4
212.04726	0.8
213.05638	1.5
215.03448	0.4
217.05029	0.8
223.03914	0.3
224.04907	0.4
225.05594	1.2
226.02776	0.5
226.06218	0.3
227.03513	1.5
227.07077	0.5
228.04137	0.3
229.01329	0.3
229.05112	0.8
237.05418	0.3
240.04271	1.0
241.04984	1.3
242.02165	0.3
243.02943	0.7
251.03583	0.6
253.05032	1.7
254.05817	0.5
255.02863	1.4
255.06758	0.6
256.03827	0.6
257.04446	0.4
259.06158	0.4
265.04965	0.5
267.06686	0.6
269.04575	2.1
270.05212	0.7
271.07126	0.8
281.04608	0.6
283.02850	0.4
283.06329	0.7
284.03268	11.4
285.04044	10.9
286.04434	1.0
297.00626	0.6
297.04059	20.9
298.04782	13.0
299.05606	21.6
300.05957	2.3
309.04114	1.2
309.07272	0.3
311.05661	4.8
323.05774	0.3
324.02786	1.0
325.03482	1.2
325.06967	0.5
327.05106	100.0
328.05466	10.3
339.05051	5.2
340.05414	0.4
341.06683	1.4
353.06696	0.9
357.06180	36.6
358.06537	3.7
363.05148	1.0
369.06180	2.1
371.07373	0.3
381.06223	3.6
399.07178	1.1
417.08286	39.2
417.21140	1.7
418.08569	5.9
426.95624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65586	0.6
58.79065	0.6
59.01368	1.2
60.21203	0.5
70.91473	1.5
71.01383	1.8
73.02956	1.0
85.02964	1.5
95.01392	0.7
108.02182	55.8
109.02978	23.9
111.31841	0.6
123.00869	0.8
123.04554	0.7
151.04019	2.3
152.01163	100.0
153.01530	4.4
163.04005	1.8
180.04291	1.1
195.06650	1.8
241.07288	3.6
285.06204	1.2
417.10400	92.6
418.10770	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	417.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
55.35017	1.1
57.03438	2.6
57.98633	1.0
58.00591	1.6
59.01388	35.9
69.03460	2.5
69.20296	11.2
71.01392	20.5
72.97540	3.8
72.99324	1.8
73.02953	7.0
75.00885	2.0
79.25027	1.0
83.01398	4.2
85.02965	12.7
85.17772	1.0
87.00894	8.1
89.02460	10.6
93.03468	31.6
95.01410	4.8
95.05013	1.1
98.20642	2.7
99.00899	4.1
101.02448	13.3
105.03510	1.1
107.05068	2.8
108.02198	3.5
109.03036	1.3
111.00933	1.3
113.02490	8.1
118.98177	1.1
119.03509	3.5
121.02972	2.7
123.04540	65.2
124.04858	2.8
125.02454	4.9
131.03506	1.2
134.03818	1.2
135.04547	2.2
135.06685	2.0
136.01714	2.6
137.02460	73.4
138.02821	2.3
152.01173	3.7
153.05582	1.8
161.04543	1.7
165.05600	1.8
167.03525	4.2
168.00616	2.7
173.04572	4.8
179.03535	7.0
179.05614	1.3
180.03943	2.1
191.05614	12.4
192.06033	3.4
239.05655	3.4
249.06244	3.9
250.57155	1.1
281.06784	1.3
285.09827	34.6
286.10226	1.9
331.06891	1.8
354.09277	1.4
369.13620	1.2
373.07654	1.5
417.14136	100.0
418.14426	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25421	0.6
55.01877	1.8
57.03441	1.4
58.00602	0.9
59.01110	1.0
59.01388	16.8
67.14221	0.6
68.99846	0.6
69.03469	0.9
69.46558	1.5
69.46972	2.8
71.01393	16.0
72.99316	1.0
73.02953	5.6
75.00880	1.4
83.01426	3.3
85.02972	8.7
86.00137	0.6
87.00874	2.3
89.02465	5.3
93.03471	10.1
95.01398	1.8
95.05036	1.3
97.02966	1.2
99.00901	3.2
101.02458	10.8
103.83094	0.6
105.03476	2.2
107.05055	1.4
109.02960	1.0
111.00880	1.5
113.02455	5.9
119.03511	0.9
119.05019	0.8
121.02939	0.8
123.04541	100.0
124.04868	4.4
129.01982	0.9
130.26761	0.6
135.04494	1.4
135.06616	1.2
136.01675	0.8
137.02466	15.3
143.03506	0.9
144.03888	0.7
147.04524	1.1
152.01146	0.8
160.05232	0.6
161.04601	1.3
164.52438	0.7
167.03534	4.1
173.04500	1.1
179.03508	2.1
182.49771	0.6
191.05670	2.9
239.05600	1.6
241.07304	0.8
249.06219	3.3
285.09836	47.1
286.10211	3.6
417.14142	78.9
418.14355	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	417.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22832	0.5
57.03439	0.6
59.01384	100.0
60.01723	0.7
60.97331	0.6
71.01382	3.8
71.56404	0.8
72.99271	0.7
73.02966	1.2
73.47312	0.6
75.23849	0.6
83.01382	0.7
85.02966	3.5
87.00903	1.3
89.02466	2.3
93.03483	2.8
101.02475	1.7
105.01927	0.8
108.02173	1.4
109.03006	1.9
110.03346	0.8
113.02492	2.2
123.00883	4.8
123.04559	1.8
135.04575	1.7
137.02466	1.5
138.03227	8.8
145.02951	0.9
152.01176	1.1
153.05594	10.2
155.03542	1.2
161.04570	1.2
166.02742	1.1
167.03519	1.7
173.04613	3.9
179.03572	1.9
181.05106	2.6
187.07660	0.7
191.05618	6.5
193.12402	0.6
264.08765	0.6
339.08926	1.2
354.10901	0.7
417.13950	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73294	0.2
56.04931	0.2
59.01390	3.2
60.59411	0.3
65.00343	0.4
67.01912	0.6
69.03477	0.4
71.01061	0.3
71.01380	1.3
71.56387	0.3
71.56770	0.2
73.02970	0.7
77.03984	0.3
81.03462	0.5
83.01396	0.3
85.02972	1.1
87.00851	0.2
89.02448	0.5
93.03468	1.3
95.01411	0.9
95.05056	0.3
97.02962	0.5
101.02423	0.6
105.03492	0.3
107.05038	0.5
108.02181	0.4
109.02961	4.1
111.00912	1.1
113.02457	0.4
117.03444	0.3
121.02969	1.6
121.06649	0.5
123.00905	4.7
123.04528	0.8
124.01672	0.6
124.43512	0.2
125.02480	1.7
133.02956	3.8
135.04535	1.0
137.02457	15.7
138.03250	0.3
139.00339	0.4
139.04019	0.7
145.02971	0.8
147.04578	0.4
149.02495	2.0
149.06044	0.5
150.03238	0.6
151.00385	27.0
151.03961	1.9
152.01180	2.6
152.04803	3.7
153.01733	0.3
153.05383	0.3
154.02695	0.3
159.04514	0.9
161.02448	1.1
162.03122	0.3
163.00394	0.4
163.04008	1.4
164.04768	0.7
165.01923	1.4
166.02727	66.6
167.03433	4.7
173.02460	0.5
173.04594	1.5
174.03239	0.5
175.04007	1.6
176.01231	0.4
177.01945	4.1
177.05556	0.6
178.02641	0.5
179.03497	1.2
181.05078	100.0
182.05392	4.6
184.03783	0.9
188.04765	0.3
190.02693	0.4
190.06345	1.0
191.03700	1.4
191.05289	1.3
192.04285	1.5
193.05011	0.9
195.02856	0.6
201.01884	0.3
202.02563	0.3
203.03531	0.5
204.04131	0.4
205.05008	1.0
205.08778	1.8
206.05760	0.4
207.06703	1.3
209.04512	0.4
217.05057	0.6
219.06586	0.5
224.03111	0.5
225.05647	0.3
227.03484	0.3
235.06058	0.3
241.05098	0.3
243.06656	0.3
253.05006	0.4
269.04556	0.4
284.03369	1.6
284.05994	0.3
285.04065	1.4
297.04037	3.4
298.04742	2.1
299.05646	3.3
301.07141	0.5
309.04135	0.4
311.05487	0.7
312.06146	0.3
316.09314	0.3
327.05106	15.5
328.05435	1.4
329.10205	0.5
339.04965	0.7
352.60294	0.3
356.12363	0.4
357.06152	4.3
357.10001	0.6
358.06342	0.5
359.11407	2.6
360.11426	0.4
369.10202	0.3
371.14914	0.8
381.06140	0.5
387.10855	17.1
388.11234	1.6
399.07220	0.4
402.13229	13.8
403.13571	1.4
417.08249	5.5
417.15448	28.9
418.08554	0.9
418.15805	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	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53067	0.7
55.01884	1.7
57.03452	2.3
58.00576	0.7
59.01387	100.0
60.01725	1.4
61.01791	0.9
61.98839	25.5
69.88952	3.5
71.01391	36.8
72.01723	1.0
72.99327	2.2
73.02966	9.7
74.02495	1.2
75.00895	1.3
80.91689	1.1
81.03492	0.9
83.01396	4.7
85.02956	15.1
87.00883	2.6
89.02454	16.5
90.02825	0.9
91.02866	0.7
93.03465	5.3
93.30132	0.6
95.01421	2.9
96.96008	0.7
99.00893	4.6
101.02455	22.5
102.02803	1.4
109.02992	1.1
111.00925	1.5
111.04528	1.3
111.08211	2.2
113.02462	15.3
119.03529	2.9
121.02972	1.6
123.04540	4.1
125.02501	1.9
128.03593	2.0
129.02019	0.8
131.03540	1.4
134.03781	1.7
135.04582	2.4
137.02480	2.7
139.07678	16.1
143.03505	2.4
149.04623	2.1
152.01302	1.2
155.03557	0.9
159.02979	3.8
159.72252	0.7
161.04579	39.9
162.04970	1.6
163.03996	1.6
164.04846	0.7
166.02759	1.0
173.04601	7.0
179.03575	0.8
179.05695	1.7
181.05141	1.3
191.05591	6.9
193.05086	0.7
195.10329	2.6
209.03200	0.8
269.10339	0.9
281.06833	2.0
285.04065	1.2
285.12677	1.1
297.04153	1.8
298.04828	1.2
299.05579	0.9
311.05856	0.9
327.05231	3.2
357.06345	2.8
357.15570	17.3
358.16122	2.3
363.07492	1.4
381.08408	0.9
417.08289	2.1
417.12994	1.2
417.16928	4.0
424.39090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67559	1.5
57.03450	4.5
59.01384	71.9
60.26874	1.4
61.98820	4.2
68.99816	2.9
70.88052	3.5
70.88367	1.9
71.01392	34.5
72.99310	10.1
73.02957	2.6
75.00875	35.8
78.47978	1.4
83.01395	2.5
83.05016	1.6
85.02961	34.2
87.00887	13.9
88.83475	1.3
89.02448	8.4
93.03487	1.8
95.01406	5.1
96.96014	2.4
97.03025	1.6
99.00896	20.5
101.02426	3.8
103.00372	3.0
111.00903	2.8
113.02460	44.2
115.00434	3.2
117.01953	4.1
120.01283	2.8
121.02930	2.8
125.84489	1.4
129.01891	3.0
132.06808	1.5
133.02980	5.1
135.04559	2.9
135.48366	1.7
143.03535	1.6
165.01923	1.9
166.02667	3.4
167.10786	98.6
168.11104	3.6
175.02505	6.8
180.00433	1.6
181.05101	4.9
190.12294	1.8
205.07187	2.0
215.12900	2.6
231.05090	5.3
236.77467	1.6
249.06152	46.9
250.06578	2.7
267.07202	6.8
271.51074	1.8
284.03116	3.0
285.03995	4.8
297.03961	8.6
298.04846	6.7
299.05484	4.7
311.05698	3.0
327.05124	23.8
357.06140	16.9
357.26578	2.3
381.06201	2.2
399.07147	2.2
399.16632	4.0
417.08875	16.8
417.17648	100.0
418.08939	2.3
418.18054	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67559	1.5
57.03450	4.5
59.01384	71.9
60.26874	1.4
61.98820	4.2
68.99816	2.9
70.88052	3.5
70.88367	1.9
71.01392	34.5
72.99310	10.1
73.02957	2.6
75.00875	35.8
78.47978	1.4
83.01395	2.5
83.05016	1.6
85.02961	34.2
87.00887	13.9
88.83475	1.3
89.02448	8.4
93.03487	1.8
95.01406	5.1
96.96014	2.4
97.03025	1.6
99.00896	20.5
101.02426	3.8
103.00372	3.0
111.00903	2.8
113.02460	44.2
115.00434	3.2
117.01953	4.1
120.01283	2.8
121.02930	2.8
125.84489	1.4
129.01891	3.0
132.06808	1.5
133.02980	5.1
135.04559	2.9
135.48366	1.7
143.03535	1.6
165.01923	1.9
166.02667	3.4
167.10786	98.6
168.11104	3.6
175.02505	6.8
180.00433	1.6
181.05101	4.9
190.12294	1.8
205.07187	2.0
215.12900	2.6
231.05090	5.3
236.77467	1.6
249.06152	46.9
250.06578	2.7
267.07202	6.8
271.51074	1.8
284.03116	3.0
285.03995	4.8
297.03961	8.6
298.04846	6.7
299.05484	4.7
311.05698	3.0
327.05124	23.8
357.06140	16.9
357.26578	2.3
381.06201	2.2
399.07147	2.2
399.16632	4.0
417.08875	16.8
417.17648	100.0
418.08939	2.3
418.18054	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	417.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	73.9
61.98829	58.0
64.47189	17.5
71.13434	35.2
96.96028	35.7
97.06616	18.3
133.02895	20.4
165.85820	19.9
165.97316	47.6
180.99681	89.4
231.29347	22.1
285.03922	30.9
289.05463	28.1
297.04053	40.4
299.05603	37.4
327.05124	100.0
343.24548	44.1
357.06055	52.4
360.28632	18.0
417.08383	51.4
417.26611	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33472	16.9
59.01381	56.6
61.98822	19.1
70.58350	56.1
70.58694	19.6
92.84525	19.0
106.26848	17.2
114.08999	19.2
116.79166	20.0
133.03004	34.3
152.90965	18.7
157.62212	18.4
196.92892	18.8
227.60326	26.0
285.04047	68.9
297.03976	32.0
298.04767	27.3
299.05783	23.8
312.34427	18.8
327.05121	100.0
343.24878	41.1
357.06085	69.2
417.08170	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00268	25.4
52.28638	25.8
59.01373	66.6
61.98845	39.3
70.30240	39.6
70.30624	62.6
71.36543	26.3
78.95927	30.8
96.96028	51.0
98.19986	50.5
107.46619	23.4
136.88193	27.9
186.04471	27.8
285.04196	30.8
297.04028	65.1
327.05017	100.0
357.06039	65.4
417.08380	58.5
417.26208	58.3
417.31021	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75019	15.8
56.94834	15.3
59.01389	86.6
61.98824	38.4
62.57701	16.6
69.72412	100.0
81.36629	21.1
90.51769	15.3
98.19995	18.7
116.05087	18.6
264.56461	16.0
285.03995	25.7
297.03915	24.5
298.05194	16.3
327.05139	59.4
357.06317	20.0
363.37451	17.9
373.27521	29.7
400.89059	18.3
417.08310	41.2
417.26358	74.0
417.30383	54.1
418.26657	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37203	0.6
57.03478	0.8
59.01386	100.0
60.01723	1.7
61.98856	0.8
71.01418	0.8
77.36903	0.6
83.05017	1.0
97.06597	1.1
101.02468	0.7
108.31626	0.6
111.08156	5.3
113.02502	0.8
125.09749	4.3
133.02998	0.9
173.08192	3.7
181.05199	0.6
187.09821	4.7
247.11755	1.0
256.78741	0.5
284.03546	0.9
285.04214	0.9
297.04208	1.6
298.04724	1.0
299.05600	1.2
327.05087	4.7
357.06296	3.0
417.08261	3.5
417.21167	4.9
418.21884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26244	0.5
55.01884	0.8
57.03445	1.3
58.00592	1.4
59.01387	68.5
59.51111	0.5
60.01734	1.0
61.98832	0.6
69.03481	1.0
70.98824	0.7
70.99150	1.1
71.01387	40.6
72.99306	1.9
73.02954	24.7
75.00862	1.0
75.11861	0.5
79.12067	0.5
83.01399	8.3
85.02957	8.6
85.80530	0.5
87.00890	4.8
89.02451	15.1
95.01385	2.7
96.95992	0.5
97.02987	1.0
99.00877	2.3
101.02455	29.1
102.02798	0.8
107.01423	0.6
113.02466	12.7
119.03502	5.3
121.03001	0.8
125.02460	1.7
131.03493	1.2
133.02963	2.5
137.02411	0.9
143.03497	1.1
145.95042	0.5
150.39993	0.6
151.00339	1.0
153.71666	0.5
161.02428	0.6
161.04547	1.5
166.02704	1.8
171.76842	0.5
173.04562	0.6
175.02570	0.6
175.03992	0.6
176.80627	0.5
181.05051	1.7
183.13925	0.9
191.05605	0.9
195.13921	18.2
196.14238	1.5
213.14981	7.8
216.40421	0.5
222.30933	0.5
253.04994	0.5
284.03229	0.9
285.04129	3.7
297.04083	2.9
298.04581	2.6
299.05554	2.0
311.05695	0.8
327.05096	10.1
328.05527	1.3
339.05334	0.8
357.06381	5.2
357.19217	18.2
357.25800	0.7
358.19525	1.7
374.11588	0.7
375.20258	37.8
376.20667	3.6
417.09024	5.3
417.21304	100.0
418.21646	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3013
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
52.66094	0.3
54.70677	0.3
56.69854	0.3
59.01371	1.4
61.98819	0.4
69.34927	1.7
71.05011	0.9
83.05042	0.7
97.72115	0.4
98.19848	0.7
121.02983	1.4
145.86101	0.3
161.37361	0.4
186.77103	0.3
204.86238	0.3
223.56905	0.4
242.10437	0.4
271.20532	0.4
285.03995	0.3
295.02289	0.4
322.92868	0.3
327.05093	0.7
343.26376	0.3
353.24515	0.3
353.28500	1.5
355.26382	1.7
356.26712	0.5
357.28043	1.7
369.27890	0.6
371.29678	3.0
373.31140	22.8
374.31503	2.9
387.29092	1.1
399.29056	2.0
400.29831	0.5
417.30142	100.0
418.30450	16.2
418.36093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.7
58.68690	1.0
59.01388	81.7
60.01716	5.6
61.98840	100.0
66.88364	1.0
69.03480	1.2
69.48912	2.0
69.49316	6.2
71.01389	25.1
72.01737	4.1
72.99317	2.7
73.02940	6.8
74.02496	2.8
74.03308	1.3
75.00878	1.7
76.20762	1.1
77.82316	1.2
80.02930	1.2
83.01395	3.8
85.02965	13.9
86.03283	1.4
87.00883	2.2
89.02464	10.1
90.02796	1.8
93.03471	4.7
95.01370	2.6
97.02995	1.6
98.20707	2.5
99.00901	3.1
101.02464	12.1
102.02817	2.6
111.00887	1.5
111.04549	2.2
113.02458	9.1
114.02791	1.5
116.03547	1.4
119.03474	1.2
127.05177	2.1
128.03552	4.2
135.04547	3.3
137.02440	2.1
139.07706	5.5
140.07999	3.2
143.03450	2.1
143.07164	1.4
159.03033	2.1
161.04559	17.6
162.04915	7.5
173.04546	5.4
179.03496	2.6
191.05731	6.8
191.07138	1.3
209.03116	1.8
210.08870	1.3
261.29758	1.2
264.53824	1.1
269.10327	3.1
281.09473	2.2
329.36401	1.1
336.16632	1.2
357.15756	1.7
358.15921	9.2
409.00174	1.3
418.16632	1.9
419.10663	1.3
419.18588	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	418.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18009	0.4
57.03447	0.4
57.09901	0.4
59.01383	6.9
61.98828	0.8
65.03943	0.6
69.33018	1.7
69.33453	1.4
71.01385	3.7
72.99283	0.7
73.02942	0.9
75.00875	0.6
83.01372	0.5
85.02511	0.4
85.02968	4.0
89.02456	3.9
89.40042	0.3
92.05066	34.6
93.03467	45.0
94.03793	1.8
100.98773	0.8
101.02457	2.5
109.02940	0.8
113.02445	1.0
118.02329	0.4
118.03009	5.2
118.99826	0.8
119.03517	0.6
119.04965	0.4
120.99589	0.5
121.02961	0.6
131.03522	0.6
133.02901	0.7
135.04547	0.6
136.04054	26.8
137.02473	1.5
137.04376	1.0
147.04517	0.8
149.04541	1.4
152.01059	0.4
161.02357	0.5
161.04633	0.4
162.01959	1.7
162.05614	1.4
163.11232	0.4
166.02794	0.5
173.04596	2.8
175.03947	0.5
177.04321	1.0
181.05045	0.7
184.07643	0.5
190.05095	4.3
191.02036	0.5
191.05629	3.4
192.06738	2.6
192.12593	0.4
194.06046	3.1
195.06512	0.5
210.05589	0.6
212.07182	100.0
213.07527	7.6
238.05086	5.2
239.05492	0.4
248.13527	0.4
256.06165	65.1
257.06485	5.3
271.45813	0.4
285.03745	0.5
298.04504	1.2
299.05365	0.9
300.06039	0.8
309.98685	0.4
328.05472	2.0
329.05704	0.4
357.22748	0.5
358.06552	1.6
375.24008	1.1
383.12738	1.2
403.13559	0.6
418.11545	38.4
419.11853	5.3
419.22614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1352
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.9
57.03447	0.8
58.00626	0.4
58.02962	0.5
59.01387	10.0
59.90155	0.4
60.35671	0.3
61.98829	1.6
64.12144	0.4
64.23896	0.3
65.03984	0.7
71.01392	6.9
71.05020	0.4
71.58009	0.4
71.58442	0.5
72.99324	0.5
73.02952	2.6
75.00877	1.0
79.91163	0.4
83.01382	1.4
83.05016	0.4
85.02950	3.9
87.00883	0.9
89.02444	3.4
93.03481	4.1
94.03797	0.4
95.01421	1.0
96.96054	0.7
97.02985	0.4
99.00896	1.0
101.02449	3.7
106.04256	9.8
107.05044	23.4
108.02193	3.9
108.05357	0.9
109.02973	1.0
111.04539	0.6
112.98754	0.4
113.02462	2.2
118.99886	0.4
119.03522	0.9
119.05025	2.3
121.02970	4.7
129.01964	1.3
133.02954	0.5
135.02994	0.9
135.04570	0.9
137.02448	1.4
138.03258	1.4
147.04549	0.5
150.03212	0.5
159.04616	0.5
161.04517	0.8
164.07181	0.7
166.02779	0.9
171.08167	0.6
173.00859	0.7
173.04579	1.0
179.03419	0.5
181.05031	1.3
182.02209	0.5
186.12486	1.0
191.05602	0.7
210.12462	0.6
211.07661	9.5
212.08006	1.0
213.09225	68.2
214.09555	6.6
245.08212	1.1
257.08194	8.3
303.03598	0.4
328.05536	0.5
329.05774	1.2
347.24405	0.7
359.06442	0.4
360.98178	0.4
376.18829	2.1
398.29956	0.4
419.13498	100.0
419.22748	4.8
420.13870	14.1
420.22101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84913	1.2
58.02967	1.3
59.01385	100.0
60.01706	1.2
61.71356	1.0
61.98832	1.7
71.01392	4.2
71.55724	1.6
72.99343	1.0
73.02946	2.6
74.02477	2.7
78.95917	1.6
85.02958	4.0
87.00894	1.3
89.02445	2.3
93.03470	2.3
93.63727	1.0
96.91987	1.1
96.96037	4.6
96.96942	2.4
99.05638	3.3
101.02427	3.0
109.03008	1.5
111.00895	1.1
113.02444	2.7
120.01227	1.7
121.02975	15.1
125.02483	1.4
125.03583	3.0
128.03539	4.8
143.04636	8.8
152.01161	1.7
153.01909	3.2
154.05103	1.3
160.00732	2.3
161.04550	1.3
161.85875	1.1
164.04807	54.3
165.05162	2.7
166.02649	1.7
166.58165	1.1
168.04259	1.9
169.04958	1.0
173.04559	2.3
179.07146	44.8
180.07440	2.8
181.05051	1.6
185.68370	1.1
191.05597	2.2
197.08208	30.6
198.08594	1.5
210.08818	1.6
254.07951	2.8
272.08890	3.7
294.74954	1.2
306.07648	12.8
314.13824	1.1
331.10303	2.2
344.19901	1.0
419.11407	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
59.01105	1.3
59.01384	16.3
60.01721	1.0
68.99851	1.0
69.03438	0.6
70.89275	1.9
71.01386	12.6
72.99315	4.7
73.02959	2.3
74.58970	0.7
75.00875	15.7
79.15118	0.6
81.03471	0.7
83.01414	0.8
85.02956	14.9
87.00887	5.9
89.02461	2.4
95.01389	3.7
99.00893	9.7
101.02488	0.9
103.00394	1.9
111.00871	1.0
112.37924	0.7
113.02463	21.0
113.03259	1.1
114.02762	0.9
115.00407	1.2
117.01955	2.4
129.01942	1.1
151.11255	0.8
169.12350	100.0
170.12682	5.5
175.02518	2.7
207.74873	0.7
231.05138	2.2
249.06158	22.4
250.06685	1.0
264.40570	0.7
359.16733	0.9
365.04318	0.7
401.18130	2.6
419.19247	64.8
420.19543	7.9
426.41840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83828	0.5
55.01883	0.6
56.83136	0.5
57.03440	0.6
58.00603	0.7
58.52858	0.5
59.01387	100.0
60.01728	1.2
61.57262	0.5
61.98851	0.7
67.01858	0.8
71.01394	17.5
71.33665	0.6
71.56338	0.7
71.56738	0.9
71.62089	0.6
72.99321	1.0
73.02962	3.8
74.02507	1.2
74.35503	0.6
74.74110	0.5
75.00891	0.7
83.01414	2.2
85.02969	7.4
86.03386	0.6
87.00898	1.7
89.02464	13.8
93.03477	3.4
95.01385	0.8
96.96050	0.7
99.00924	1.1
99.04533	1.1
101.02460	11.2
103.06229	0.8
108.02184	1.3
111.04559	0.8
113.02467	6.7
119.03503	4.2
121.03014	0.9
123.04555	1.3
128.03561	1.1
135.04549	2.3
137.02463	1.2
143.03561	1.1
143.04674	1.4
161.02478	0.8
161.04584	9.6
165.09222	0.7
173.04602	5.1
179.03534	0.7
179.05695	2.0
179.10846	1.0
191.05632	4.0
193.05002	0.8
195.14014	2.3
257.14185	0.7
272.09131	0.9
300.59540	0.6
306.07602	0.7
359.17130	15.3
360.17609	2.2
375.20291	5.1
381.06497	1.6
401.18188	1.1
404.14725	1.0
419.19263	17.6
420.19742	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	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43761	0.7
57.03446	1.2
59.01387	100.0
61.98848	1.1
71.01397	4.5
71.05032	0.7
71.55916	0.8
72.99314	0.9
73.02966	1.9
74.02484	2.9
75.00882	2.5
80.96507	0.7
83.01414	1.2
85.02956	5.0
89.02477	2.4
93.03481	2.6
94.88082	0.6
96.67113	0.7
96.95991	0.8
100.42558	0.6
100.98795	0.8
101.02475	2.8
109.02991	1.1
111.00948	1.2
113.02483	1.8
118.99876	1.0
120.99699	0.9
135.04581	2.2
137.02431	1.3
145.02991	0.7
150.03308	0.7
151.00439	0.7
155.10768	0.7
161.02446	0.8
161.04607	1.7
163.04048	0.7
165.05637	1.0
166.02724	1.3
173.04529	3.8
175.03999	1.8
176.04843	0.9
179.03554	1.1
180.04269	1.1
181.05125	1.5
188.04761	0.7
189.05659	1.3
190.06395	1.2
191.05687	2.2
191.07256	1.5
193.05125	1.3
195.06743	0.9
205.08746	1.1
206.77502	0.6
207.06656	0.7
215.08519	0.7
233.92395	0.8
255.15488	0.6
260.24402	0.6
271.14688	1.2
286.04205	0.6
299.22360	1.0
329.05966	0.7
329.15048	0.7
340.24963	1.7
345.22852	7.9
347.24295	0.7
375.23938	0.7
389.16162	5.8
390.16589	1.1
402.25296	1.8
419.09055	1.0
419.18039	1.3
419.22873	2.2
419.26944	2.0
420.26102	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56761	0.4
55.01892	0.9
57.03445	1.6
58.00592	3.4
59.01385	81.4
60.01731	0.7
61.98819	0.6
64.39016	0.4
69.03448	1.2
69.22769	1.3
69.23190	2.5
71.01388	76.2
72.01732	1.1
72.99313	4.7
73.02956	11.9
74.02470	0.6
74.16348	0.4
75.00889	2.2
79.35490	0.4
83.01395	3.0
85.02958	12.7
87.00886	3.5
89.02453	100.0
90.02784	1.5
93.03467	1.1
95.01369	1.6
96.96036	0.8
97.02943	1.4
98.19839	0.9
99.00890	4.7
100.90720	0.4
100.98832	2.9
101.02454	37.0
102.02782	0.7
108.02126	0.5
109.02923	0.6
112.68800	0.4
113.02463	17.7
118.99907	2.1
119.03516	12.0
125.02467	3.6
126.73972	0.5
131.03517	22.4
133.02966	0.4
135.04512	1.0
137.02469	1.1
143.03519	2.3
149.04572	41.2
150.04887	1.3
151.03857	0.5
161.04619	2.6
171.98430	0.4
173.04451	1.6
179.05641	4.8
180.14136	0.4
180.40228	0.4
191.04015	0.6
191.05624	10.0
192.06038	0.6
204.68813	0.4
209.11833	0.5
248.83548	0.4
251.07675	0.8
347.24072	0.4
357.22699	0.6
359.06653	0.5
375.24060	2.0
376.24136	0.5
419.18735	1.5
424.61719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2077
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
59.01377	4.5
61.98857	1.4
63.14774	1.1
65.00342	1.9
71.55829	1.4
71.77457	1.2
80.96507	3.8
88.98821	6.3
91.01894	2.1
93.03448	9.0
96.96010	2.3
116.74266	1.4
119.01376	5.1
121.02962	17.7
122.03371	1.6
127.40547	1.0
128.87846	1.2
131.01338	1.2
135.04532	2.9
137.02417	2.3
147.00906	8.6
147.04475	1.4
149.02454	29.1
150.03215	6.7
152.01184	1.8
153.01994	2.5
162.03162	1.6
163.03999	7.6
164.04796	18.6
165.01903	4.6
166.23558	1.3
175.00375	18.2
176.01128	1.8
177.02011	1.4
178.06387	8.7
179.07036	1.1
183.13931	3.1
190.02736	43.8
191.03125	3.2
193.01425	3.3
194.02174	3.7
195.02922	1.6
195.13966	2.8
199.68893	1.2
202.39632	1.1
205.05074	100.0
206.05428	6.1
208.03894	1.4
209.04576	3.1
213.14966	10.9
223.06102	12.5
231.10054	2.8
237.14885	1.3
262.08438	1.1
275.09293	3.2
276.09827	1.4
289.10770	1.5
329.17154	1.5
337.21695	2.6
375.29044	1.7
387.18219	3.0
389.15948	8.3
404.18472	18.6
405.18781	4.0
419.20743	83.8
419.27560	5.3
419.32605	2.5
420.21136	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.9
61.98842	14.3
71.55641	14.0
77.74657	10.0
79.95744	16.1
96.96021	11.1
121.02937	17.6
192.71559	10.6
202.69862	11.4
213.51357	10.1
357.27911	23.1
371.29477	12.4
375.29056	12.9
419.27011	22.3
419.32516	100.0
420.27911	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	23.0
61.98824	22.2
71.42725	16.7
77.13741	18.8
79.95753	19.3
96.96008	36.2
109.51468	24.9
122.41592	19.0
199.10246	21.6
214.83047	18.8
229.13199	24.2
333.68527	20.6
334.41617	20.0
352.15076	20.9
411.89764	20.0
419.27924	82.8
420.28195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63514	10.0
59.01382	20.2
63.20242	9.6
69.91100	57.8
85.06572	14.1
96.96008	26.8
131.89160	10.6
281.03564	9.8
322.09927	10.5
375.28909	15.5
416.74915	11.2
419.28018	100.0
442.25943	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	419.3172
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
59.01383	2.5
61.98843	1.1
63.71395	0.9
69.38711	0.8
70.07130	3.6
71.45173	0.9
96.96011	1.3
108.08652	0.9
121.02985	1.7
319.57657	0.8
355.26428	2.9
355.30087	4.3
356.30469	1.0
357.27991	7.3
371.25064	1.4
371.29544	9.3
372.30035	1.6
373.31390	1.9
375.32742	2.6
419.31845	100.0
420.27164	1.5
420.32156	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	419.3174
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
54.00262	0.4
59.01381	1.3
69.03468	1.0
70.88702	1.0
90.46930	0.5
96.96043	0.9
104.04784	0.4
106.30196	0.4
110.88927	0.5
255.44249	0.5
313.25589	0.7
341.28586	1.0
357.31647	36.3
358.31949	5.7
375.32693	16.5
376.33014	2.8
401.30722	0.7
419.31699	100.0
420.32043	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	420.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55998	0.2
57.03455	0.5
59.01387	2.9
61.98837	100.0
62.98530	0.2
69.25779	2.0
71.01397	0.9
72.68330	0.2
72.99324	0.3
73.02943	0.4
73.19617	0.2
74.02489	0.3
75.00876	1.1
83.01407	0.3
85.02972	0.3
89.02472	0.4
92.05099	0.3
93.03474	0.9
94.03828	0.3
98.19791	0.3
100.32892	0.2
100.98798	1.1
101.02493	0.6
109.02957	5.7
109.03693	0.3
113.02456	0.3
118.99899	1.2
119.05041	0.3
120.00227	0.3
125.02481	1.1
135.04510	0.4
136.04083	0.3
137.66301	0.2
147.04530	2.0
151.00409	0.3
153.01985	0.3
158.03813	0.3
159.04533	6.0
159.05820	0.4
160.05029	0.4
161.04459	0.3
162.05632	0.2
166.17532	0.2
173.04689	0.4
190.05150	0.7
191.05603	0.7
191.98927	0.3
192.06760	0.3
212.07263	0.8
213.07558	0.7
214.07739	0.5
256.06146	0.4
257.06522	0.4
258.06802	0.5
269.08179	3.1
269.10516	0.2
270.08664	0.4
313.07233	0.6
333.04553	0.8
357.06256	0.6
376.24344	0.3
377.25778	0.2
420.06873	0.4
420.12326	0.8
420.23056	0.4
421.24435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60683	1.0
58.02983	6.9
59.01391	10.0
59.91077	1.3
61.98830	3.3
64.17872	1.2
66.03475	1.3
68.46239	1.2
70.02985	1.8
71.01382	5.2
71.12272	2.7
74.02483	19.0
82.02988	2.0
84.04576	1.6
85.02954	2.6
86.02496	7.8
87.00831	1.3
87.05647	3.8
89.02453	2.9
90.00188	1.2
93.03471	1.3
96.58580	1.3
96.96017	1.7
97.04065	2.9
99.05654	18.0
101.02444	1.4
101.07208	2.4
102.05613	2.0
107.06204	1.5
108.04627	1.3
109.04044	3.2
110.02450	1.5
111.01994	1.3
112.04040	2.3
113.02406	1.5
113.03554	1.3
118.68694	1.1
118.94704	1.1
118.98077	3.5
119.03455	1.2
123.05666	1.4
125.03553	3.5
127.05148	4.2
128.03560	43.3
129.03841	4.1
131.04623	1.2
135.05609	3.8
141.06723	4.7
143.04645	64.9
144.04782	1.5
145.06212	2.5
146.04637	6.4
153.06728	4.7
155.98918	1.6
160.00764	14.3
161.04341	1.7
162.33105	1.2
166.09840	2.0
167.04597	3.7
167.08275	1.8
177.03429	5.6
179.03233	1.6
179.04617	14.2
181.06149	1.5
185.05655	2.7
191.05702	1.7
192.07784	1.7
197.05730	2.4
210.08879	9.8
211.07620	1.6
225.89096	1.1
254.07843	16.4
272.08920	29.0
273.09128	2.0
282.08759	1.6
288.06528	10.6
293.76309	1.4
300.09882	2.3
306.07690	100.0
307.08087	6.7
420.14502	5.2
421.17242	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	421.115
Annotation	2',4',3,4,alpha-Pentahydroxydihydrochalcone 3'-C-xyloside
Peak:m/z	Relative Intensity
53.49802	1.3
57.03454	4.7
59.01386	25.0
59.40675	1.1
60.25414	1.0
61.98809	2.3
67.01883	2.7
68.99822	2.6
69.03471	1.4
69.31990	1.3
69.39651	1.1
69.74567	1.1
71.01394	25.3
71.56206	1.1
71.56586	1.3
72.99307	3.9
73.02972	7.4
74.02483	9.6
75.00883	14.6
75.13230	1.1
83.01386	4.8
85.02962	16.4
87.00884	5.8
87.04553	1.6
89.02439	5.5
93.03473	29.7
95.01394	10.6
96.99315	1.9
99.00892	2.6
99.05637	1.9
101.02466	15.5
107.01392	2.9
107.05005	1.2
107.73505	1.1
108.02193	34.6
109.02979	29.5
110.03315	1.5
111.00916	4.5
113.02454	11.8
116.03546	3.2
119.03523	1.3
120.99686	4.8
121.02971	2.0
123.00905	65.1
123.04530	9.1
124.01682	31.3
125.02414	4.0
126.99581	2.9
135.04558	2.9
136.01656	3.1
137.02470	46.1
138.03261	16.5
139.00314	1.3
139.04057	17.9
143.03647	1.5
143.04649	6.6
147.04466	1.7
150.54411	1.2
151.00362	3.8
151.04024	2.1
152.01143	8.8
153.01988	7.1
161.04543	2.1
163.04004	1.5
166.02794	2.6
167.03514	26.0
168.03798	1.6
171.10318	3.2
173.04555	5.3
177.02017	2.3
177.03419	13.0
179.03488	4.1
181.05083	2.2
191.05623	4.5
209.04575	1.7
212.44826	1.5
239.05486	1.7
281.06689	47.9
282.07028	3.7
296.05402	3.2
297.06143	5.9
311.07751	29.7
312.08124	3.4
385.22595	1.4
403.23251	1.4
406.08459	1.5
421.11438	100.0
421.20224	3.1
421.24252	11.5
422.11630	11.2
422.25067	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	421.1289
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
59.01387	4.7
60.65132	0.8
70.68494	1.6
70.68818	1.5
71.01401	2.3
78.91905	1.4
78.95901	2.9
85.02943	1.8
87.00888	1.5
89.02460	1.4
90.02875	0.8
92.89659	0.8
96.96008	1.3
96.96999	1.6
102.98618	2.0
107.35208	1.0
112.04048	1.1
117.97324	5.5
120.01263	100.0
120.99699	1.5
123.01027	1.0
124.04512	1.1
125.00178	0.8
137.32500	0.8
138.05632	7.8
154.05144	1.7
155.98885	3.9
167.71393	1.0
171.01227	1.9
195.32744	1.0
198.24687	1.0
220.57892	0.8
223.06079	1.9
224.16852	1.0
298.03714	1.1
300.10880	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97130	13.5
59.01386	40.2
61.98819	21.8
71.25240	31.2
87.00896	24.9
93.06322	15.5
96.96028	100.0
106.12849	14.8
111.00890	54.8
128.09625	16.5
163.11357	15.0
191.90601	14.5
349.17133	28.1
385.14450	43.0
417.24402	16.8
420.32104	53.4
421.15305	39.9
421.21951	27.0
421.27985	47.9
421.33075	25.6
433.25208	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	91.9
59.01386	100.0
59.82176	1.1
61.98838	1.8
66.18715	1.2
69.82108	6.0
71.01382	28.1
71.63176	1.2
72.99326	3.3
73.02956	6.6
74.02497	1.5
75.00858	2.5
81.03467	2.9
82.95426	1.7
83.01379	2.4
85.02966	13.1
87.00889	3.9
89.02460	22.4
93.03447	3.0
95.01400	1.8
99.00909	1.8
99.04530	90.5
100.04876	3.5
101.02450	34.0
109.02949	1.2
111.00964	2.0
113.02464	20.4
116.92863	2.6
118.98112	1.3
119.03525	9.3
120.99564	1.4
123.04530	2.9
125.02456	39.7
126.02787	1.5
127.07662	1.7
128.03542	3.6
131.03474	3.1
134.03734	1.9
135.04510	4.2
136.01633	1.5
137.02393	2.1
143.03490	4.8
143.04565	2.6
149.02470	2.3
149.04549	3.1
153.05493	1.9
161.04616	7.2
165.01944	2.3
171.06630	2.5
173.04539	6.2
175.03998	2.1
179.03505	8.1
179.05632	4.6
191.05643	3.5
221.06732	1.5
223.05959	2.8
223.77206	1.6
228.04755	1.4
249.06117	3.3
251.72260	1.3
272.08789	1.9
306.07672	4.5
319.13763	1.5
361.12912	3.6
391.10052	1.8
421.12265	3.3
421.21484	7.8
422.20438	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07124	3.2
78.08708	0.6
78.95913	30.0
98.20592	0.7
110.98545	46.3
114.76514	0.7
145.56827	0.6
152.99580	5.3
155.49344	0.6
167.01144	1.2
185.02219	100.0
186.02545	2.1
228.78342	0.7
253.21748	24.6
254.22131	1.7
310.01761	0.8
421.23703	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	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03448	1.4
59.01388	6.8
61.98825	1.5
70.63969	3.1
71.01385	1.4
75.93328	1.1
83.05030	8.1
85.06585	3.3
96.96027	2.6
97.06605	2.2
107.08707	1.1
109.06523	1.1
111.08161	3.3
123.08166	1.4
125.09724	8.6
130.01813	1.2
130.13086	1.2
171.10295	19.1
172.10489	1.2
175.20087	1.0
175.21849	1.0
187.14902	2.1
189.16454	1.7
205.15959	3.9
209.11847	2.6
211.13452	3.6
215.14404	1.1
219.10146	1.4
221.15480	1.9
231.13979	3.4
233.15483	30.5
234.15767	1.7
239.16464	2.1
249.14980	10.7
251.16447	1.3
257.17648	1.4
331.26465	2.6
341.24680	1.4
359.25952	2.4
367.22787	1.9
375.25470	1.6
377.27240	2.4
380.56647	1.2
385.23880	4.6
393.26443	1.9
400.68549	1.4
403.24902	55.4
404.25458	6.9
421.25977	100.0
422.26208	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	422.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99612	21.3
59.01385	18.0
61.98834	4.8
69.67641	2.1
69.68063	4.5
71.01389	15.8
73.02953	2.6
74.99108	1.2
77.89639	0.9
83.01411	1.3
84.04545	3.2
85.02961	6.4
87.00890	16.2
88.96164	1.2
89.02445	8.4
94.02993	2.2
97.01730	1.8
99.00926	1.5
101.02468	5.1
102.98611	100.0
103.98965	1.0
112.04066	39.2
113.02460	5.6
113.04370	1.2
119.03529	2.5
120.99672	45.2
126.05608	1.3
127.61957	1.0
134.17874	1.1
143.03502	1.0
161.04601	7.5
172.04411	3.9
179.05679	1.6
205.07079	1.3
219.54141	1.0
249.06172	8.1
283.04959	71.9
284.05276	4.0
297.10187	0.9
297.84262	1.0
340.09995	0.9
363.16534	3.1
417.78860	1.2
423.18460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35481	3.7
56.84558	4.1
58.02966	11.9
59.01103	6.3
59.01385	88.3
60.01704	3.4
60.17799	3.4
61.98819	4.6
69.52459	25.8
71.01376	26.8
74.02480	25.9
74.99095	7.5
75.00884	6.8
85.02963	16.7
86.02492	7.9
87.00881	7.3
87.05634	4.5
89.02451	23.4
93.03471	10.3
99.05647	14.8
101.02468	18.1
109.02940	3.9
109.04107	4.6
113.02431	11.1
116.92794	9.3
117.92863	7.0
119.03479	7.6
119.04983	4.2
122.03758	3.6
123.00921	3.9
125.02456	4.3
127.05148	4.2
128.03560	49.2
135.04520	7.9
135.05580	3.8
136.99158	3.1
137.02428	6.7
143.03557	6.5
143.04634	67.9
144.01239	3.8
146.04575	5.2
149.02464	21.6
150.03215	29.9
151.00427	6.9
153.05574	12.4
157.22702	3.5
159.15608	3.7
160.00754	13.2
164.04800	8.9
165.05597	37.0
166.02762	8.3
166.05710	3.8
173.04512	11.4
176.01653	5.7
177.01947	9.3
179.04672	12.0
179.77460	3.8
181.05054	7.3
183.06627	7.0
185.05637	5.3
191.05637	16.5
192.04279	12.9
195.06595	16.5
207.05028	3.4
207.06662	29.5
210.08826	11.4
217.05057	3.8
232.57813	3.3
248.00203	5.8
254.07771	13.5
272.09030	21.5
287.09061	6.6
288.06827	6.9
306.07684	100.0
307.07776	5.1
331.11884	23.2
422.27798	5.5
423.13049	6.4
423.18405	9.4
423.26227	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	423.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82540	0.7
58.99873	0.8
59.01381	9.6
61.98833	1.2
62.03991	0.6
63.29304	0.6
71.01392	10.5
71.55307	0.7
72.99290	1.8
73.02927	0.7
74.99385	6.5
75.00867	1.3
78.95913	1.7
80.65958	0.6
80.91694	2.7
83.01415	1.0
85.01466	2.4
85.02965	2.8
86.99393	1.6
89.02446	5.8
93.03456	0.8
93.55313	0.6
95.01403	0.9
96.96043	1.1
96.96966	1.0
97.02971	0.9
98.99387	1.7
99.00898	0.9
99.92328	0.6
100.00177	1.1
101.00327	0.6
101.00951	11.9
101.02434	2.9
102.01006	0.7
102.98888	10.0
103.29291	0.6
103.76279	0.7
103.98963	0.8
104.98209	0.8
107.48713	0.7
111.00883	1.1
111.04535	0.7
113.00971	9.3
113.02454	2.5
114.98890	1.1
115.02534	1.1
115.99673	4.9
116.99735	1.2
117.00467	8.9
117.97607	1.8
119.03532	1.4
125.00977	5.4
126.98874	0.8
127.02583	1.5
130.08775	0.9
130.98375	2.7
133.01598	0.9
137.03438	0.8
139.02591	1.0
141.00459	12.3
141.01552	1.0
142.00558	1.4
143.99188	6.1
150.04233	2.9
153.00452	12.3
155.02054	1.7
156.99948	1.3
161.04559	1.8
167.02010	2.3
169.00000	2.0
173.04559	1.1
179.05644	1.2
183.01501	10.4
190.02180	0.9
191.02097	0.9
191.05634	0.9
195.01511	39.7
196.01773	3.9
201.02596	14.1
202.02620	1.7
213.02513	0.9
217.02020	4.8
225.02559	1.6
232.03287	1.2
243.03624	100.0
244.03783	11.5
249.06007	1.0
255.03612	2.2
261.04749	1.0
273.04675	3.6
275.02704	1.1
289.17517	0.8
303.05701	8.7
304.06128	1.0
341.10803	3.9
363.07886	15.4
364.07651	5.6
423.10123	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	423.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47520	2.3
53.95598	2.0
55.80671	2.2
59.01392	12.5
61.98832	3.2
67.40963	2.0
70.35362	5.7
71.01392	6.3
75.00883	2.9
78.95908	2.8
80.24976	2.0
83.01395	9.5
85.02956	3.3
87.00871	7.0
89.02446	2.8
96.96020	9.3
99.00877	11.2
99.65961	2.2
111.00892	7.8
127.00372	3.1
129.01923	2.3
145.01427	6.3
154.99857	7.6
166.08693	3.7
183.13863	10.9
191.05664	3.7
195.13863	9.8
213.14972	100.0
214.15347	3.7
237.15186	2.2
341.15997	8.7
423.28348	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33889	4.6
55.37316	4.2
59.01385	72.2
61.98818	10.2
66.91698	5.0
71.01385	35.6
71.35013	8.1
72.99319	11.8
73.02943	7.6
74.02483	20.8
74.99111	10.7
75.00881	59.8
82.95409	5.3
83.01417	6.9
83.05010	4.8
85.02961	31.0
87.00888	14.1
89.02434	14.0
93.03487	10.7
93.62104	4.9
93.63972	4.4
93.66222	4.3
95.01399	5.0
101.02460	16.5
108.94760	5.1
109.02964	6.9
111.08191	26.6
113.02452	20.2
115.92084	6.3
116.92897	5.3
120.99608	5.4
134.03671	4.9
136.99138	6.6
139.43268	5.5
150.03256	7.8
164.01833	5.4
165.05562	14.4
173.04593	12.7
173.08183	17.6
175.04123	7.4
191.05646	22.8
195.06595	11.9
206.02820	12.0
207.59018	5.0
224.00266	5.9
228.98149	6.5
232.00774	8.2
233.39230	5.3
250.01743	16.5
263.56458	5.3
387.16608	9.2
405.24829	6.8
423.15134	33.0
423.26099	100.0
424.06744	7.3
424.16345	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.1
59.01388	46.1
60.94259	2.4
71.01389	18.0
71.57975	3.3
72.99313	6.3
73.02960	5.4
74.02486	7.7
75.00880	100.0
83.01419	2.1
85.02969	7.4
89.02436	11.3
101.02454	5.0
113.02488	3.7
119.03439	2.6
129.09227	2.9
135.04553	2.5
161.04480	2.9
163.11308	4.5
173.04649	3.5
191.05519	2.8
201.05600	5.0
253.86897	2.2
303.68274	2.2
334.22333	2.1
337.56741	2.3
345.27948	2.1
387.16693	50.2
387.23972	10.4
388.17105	4.5
423.13138	4.0
423.17859	3.8
423.26132	89.2
424.26401	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	423.1796
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01384	64.6
60.11769	13.1
66.64015	14.1
69.40645	100.0
71.01380	29.1
75.00887	86.6
81.88665	13.4
85.02988	24.2
91.17795	15.2
101.02429	25.4
102.19510	13.4
113.02435	18.0
125.09724	20.3
165.04033	38.1
187.09802	27.0
202.81903	15.3
234.08322	15.2
275.09314	16.9
276.09219	13.4
308.50873	16.0
423.18085	98.8
423.25940	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01387	100.0
60.01712	1.2
61.98837	1.8
71.01391	13.1
71.10790	0.7
71.11097	0.5
73.02963	1.8
75.00880	0.5
83.01414	0.6
84.95155	0.5
85.02956	3.8
88.75134	0.5
89.02481	2.3
93.03487	1.2
97.03037	0.5
99.00922	0.6
99.04533	1.5
101.02469	3.9
104.45263	0.5
110.06271	0.5
113.02491	1.3
115.92086	0.7
119.03511	0.8
121.03004	0.8
125.02482	0.9
128.03575	0.7
128.77187	0.5
135.04576	0.6
149.02507	0.7
150.03236	0.5
161.04608	0.8
165.05602	1.0
169.08734	1.6
173.04643	0.7
175.03973	0.6
175.68559	0.5
179.03517	0.8
187.09808	1.9
191.05670	1.3
193.05127	0.7
207.06731	0.7
236.66792	0.5
241.10912	0.7
247.07314	0.8
274.92657	0.5
291.14679	1.4
313.12994	8.4
314.13440	0.7
331.14029	5.8
343.09689	0.7
363.16699	0.9
423.10080	2.7
423.18790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.7
57.03462	5.1
58.00599	1.1
58.77068	1.0
59.01387	40.4
61.98832	2.0
63.20573	1.0
69.03450	2.2
69.28300	9.8
69.28619	0.9
71.01391	62.3
72.01718	1.4
72.99307	3.9
73.02955	29.5
75.00886	3.4
75.34140	1.0
83.01396	17.4
84.43118	0.9
85.02961	32.0
86.00081	2.4
86.21043	1.0
87.00882	5.1
89.02456	12.0
93.03462	1.1
95.01401	4.4
96.96014	2.8
97.02948	2.7
99.00892	15.7
99.17475	1.0
101.02458	60.2
102.02806	1.5
111.00873	2.2
113.02464	25.1
114.02821	1.3
125.02434	3.4
129.01962	2.2
131.03523	2.5
133.02917	2.4
134.03755	7.5
135.04556	2.7
137.02470	1.4
143.03514	3.6
147.02960	1.8
148.43248	1.0
159.03047	5.3
161.02530	1.6
161.04578	26.2
162.03253	2.7
165.04076	1.0
173.04567	2.1
178.02675	1.5
191.05661	2.2
205.03728	1.2
219.10300	1.3
231.10298	2.9
233.06677	3.3
261.11310	1.9
275.09238	9.4
291.18176	100.0
292.18542	6.9
386.68387	1.3
423.22388	76.8
424.22900	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	423.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98829	25.6
71.25360	22.6
71.25711	31.4
78.11669	17.6
96.96004	57.3
109.35011	21.7
173.66899	16.7
224.23602	17.1
233.57899	21.9
255.23219	25.7
345.05447	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	423.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54148	0.3
62.03852	0.3
63.32690	0.3
64.18972	0.3
69.49033	0.6
69.49435	2.0
78.95915	4.8
84.31229	0.3
92.90002	0.4
98.20635	0.5
110.98556	4.2
167.01183	1.7
185.02214	3.3
187.02525	0.4
224.38835	0.3
231.12152	0.3
255.23322	100.0
256.23651	8.9
256.26358	0.5
313.46860	0.3
326.73975	0.4
416.04565	0.4
423.25266	6.6
424.25729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
59.01392	9.5
69.43755	1.2
69.44160	5.0
71.01401	4.4
73.02957	3.1
73.09122	0.8
75.00897	2.3
81.03446	0.8
83.01411	1.0
85.02966	2.3
87.00887	1.9
89.02470	2.4
98.19852	0.8
101.02472	4.0
113.02484	1.0
133.02974	4.7
135.04488	2.0
137.02385	0.9
145.02899	1.0
146.02499	59.9
147.02823	2.1
155.03442	1.0
160.02866	0.8
161.02470	14.4
161.04539	1.4
163.04045	0.9
173.04602	1.6
176.02287	100.0
177.03070	62.0
178.03415	2.6
179.03419	1.0
191.05769	1.6
206.53345	0.8
219.04121	3.0
295.12137	0.8
295.94885	0.8
339.08310	1.8
381.09421	82.2
382.09766	8.4
424.26456	1.3
425.14645	14.0
425.19403	3.0
425.26819	1.0
426.14841	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	425.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76570	0.8
59.01387	3.4
59.50379	0.7
61.90694	0.7
61.98846	1.7
68.99822	34.5
71.01389	6.3
71.55885	0.8
73.02955	13.8
80.96539	0.7
83.01390	1.0
85.02959	3.0
96.96010	1.7
99.00889	100.0
100.01215	1.8
101.02468	5.8
110.90176	0.8
111.00882	1.6
111.42175	0.8
113.02470	3.2
117.01958	3.2
143.03523	1.7
148.05318	57.9
149.05644	2.2
157.36435	0.8
161.04553	4.7
163.07663	51.6
163.67447	0.7
164.07965	2.2
172.90358	0.7
173.00955	0.8
179.88898	0.7
207.02960	0.8
261.06229	1.7
327.59714	0.8
425.26205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26283	0.2
59.01386	1.9
61.98831	0.2
63.72160	0.2
65.03967	0.7
66.52293	0.2
69.73627	1.1
71.01379	0.5
73.02956	0.4
85.02955	0.3
86.89405	0.2
93.03468	65.9
94.03799	2.0
96.96042	0.3
98.19901	0.4
101.02473	0.4
113.02460	0.3
137.02458	100.0
138.02795	3.6
165.05338	0.2
166.09584	0.2
166.93971	0.2
200.28889	0.2
365.77087	0.2
425.14511	0.8
426.14862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.12649	7.9
71.01381	33.3
71.55670	8.4
73.02934	15.1
75.00878	25.0
78.45346	6.5
83.01381	10.3
85.02971	32.4
87.00898	11.3
89.02452	24.8
93.03480	14.6
100.22153	6.7
101.02454	38.4
112.04104	6.9
113.02486	17.6
115.72530	7.3
120.99639	16.6
128.96115	7.4
131.65213	7.6
135.04556	16.0
155.03578	8.7
158.64314	7.0
159.37500	7.9
161.04620	10.1
173.04584	33.7
174.05034	7.6
175.07712	9.8
179.03510	9.2
187.04158	9.1
191.03638	15.2
191.05626	43.3
203.03580	36.5
231.73561	8.1
251.09306	11.1
263.05634	74.7
293.16022	11.6
337.84665	8.0
352.70941	8.1
387.16739	37.3
389.17361	12.9
425.14417	10.4
425.19394	50.8
425.26715	25.4
426.19531	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	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.4
59.01389	100.0
61.36709	2.3
61.98836	21.8
67.15092	2.4
69.51819	5.1
69.52220	12.3
71.01391	64.7
72.01718	3.1
72.99323	5.8
73.02946	11.9
74.99122	4.2
75.00877	7.3
78.95916	7.1
82.95436	5.0
83.01401	4.8
85.02967	24.4
87.00901	11.9
87.04499	4.1
89.02459	47.9
90.02810	2.6
93.03478	4.8
95.01372	3.9
96.96019	19.7
97.06600	5.6
98.04848	3.1
99.00905	7.2
99.92579	5.4
101.02458	42.1
101.03096	3.6
109.06599	2.7
111.00890	2.9
111.04578	2.9
113.02467	28.8
115.92061	4.6
119.03530	20.1
120.99677	3.1
121.02946	5.2
129.01981	3.1
133.02969	2.5
134.03740	9.1
135.04498	7.4
143.03531	5.8
159.03044	4.2
161.04614	24.0
163.03922	2.6
165.04079	3.3
172.54875	2.6
173.04555	7.6
175.04015	2.6
179.03539	3.7
179.05640	11.1
190.50677	2.5
191.05634	21.3
193.04985	5.2
197.98938	2.6
203.12926	3.3
221.06580	2.8
365.18173	52.8
366.18524	6.0
409.25436	2.6
425.15051	14.1
425.20203	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	425.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41404	1.2
59.01386	77.7
61.98824	2.0
69.90084	1.9
69.90492	5.0
71.01388	30.0
72.99312	7.6
86.79558	1.1
87.56698	1.1
92.92816	3.7
96.96029	2.2
98.20628	2.4
115.00390	12.1
133.01463	10.5
139.11314	3.5
167.10806	1.7
185.11821	1.3
190.41312	1.1
201.74277	1.2
213.11334	2.3
214.12056	2.1
216.42528	1.2
219.28110	1.4
227.12779	1.3
240.13684	2.2
247.20612	2.1
273.18661	1.5
291.19696	14.9
292.19983	1.6
309.20737	100.0
310.21075	11.9
407.20468	2.3
429.10300	1.4
429.93195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81558	1.8
59.01380	7.4
61.98819	6.4
69.03473	2.4
69.72987	4.5
69.73404	7.3
71.01390	47.2
71.05006	2.3
72.99314	16.1
74.95530	2.2
77.10972	1.8
78.37177	2.3
78.95885	2.1
87.00829	2.2
89.07996	2.0
96.96010	9.3
99.92539	2.6
115.00385	10.0
141.83109	2.0
151.11255	3.2
171.10313	6.4
173.35997	2.1
185.11790	2.6
193.08481	6.9
195.13885	2.5
211.13489	2.6
221.11838	3.4
234.17378	1.9
247.20796	5.2
291.19690	98.1
292.20013	10.0
309.20706	100.0
310.21066	10.7
343.24869	12.1
360.61792	2.0
361.82266	2.1
405.75183	2.1
407.20755	4.4
425.22223	3.3
425.28619	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	425.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41404	1.2
59.01386	77.7
61.98824	2.0
69.90084	1.9
69.90492	5.0
71.01388	30.0
72.99312	7.6
86.79558	1.1
87.56698	1.1
92.92816	3.7
96.96029	2.2
98.20628	2.4
115.00390	12.1
133.01463	10.5
139.11314	3.5
167.10806	1.7
185.11821	1.3
190.41312	1.1
201.74277	1.2
213.11334	2.3
214.12056	2.1
216.42528	1.2
219.28110	1.4
227.12779	1.3
240.13684	2.2
247.20612	2.1
273.18661	1.5
291.19696	14.9
292.19983	1.6
309.20737	100.0
310.21075	11.9
407.20468	2.3
429.10300	1.4
429.93195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01387	100.0
61.98847	0.8
70.56796	2.2
71.01389	23.8
72.99319	5.5
74.89199	0.7
87.00938	0.8
87.23279	0.8
92.92837	4.3
96.96027	1.8
98.08056	0.8
115.00388	9.6
133.01428	6.8
139.11246	1.5
142.15211	0.8
167.10794	1.0
185.11824	1.0
207.84045	0.8
213.11436	1.1
214.12099	1.1
227.12949	0.8
240.13744	1.1
247.20776	1.7
270.49792	0.9
291.19687	12.1
292.20178	1.5
309.20743	79.1
309.88956	0.9
310.21112	8.6
407.20782	1.2
425.29486	1.3
439.81287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01721	1.0
61.98838	1.0
63.17158	0.9
64.47543	0.8
70.48064	0.8
70.56226	1.5
70.56573	1.6
71.01382	4.2
79.41251	0.8
80.31843	0.9
92.92802	4.1
96.96038	2.2
112.00771	1.0
170.53264	0.8
291.19711	7.2
309.20767	15.4
310.21091	1.3
332.75098	0.9
353.95139	0.9
389.27032	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	425.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
59.48412	0.5
64.17962	0.5
65.87901	0.5
66.43868	0.5
67.05533	2.6
70.06854	2.5
71.05026	11.5
83.05032	0.7
85.02972	0.6
96.95974	0.7
97.37122	0.6
98.20524	0.7
110.69286	0.6
114.09266	1.3
128.94522	0.5
130.08749	16.7
140.68802	0.5
140.98187	0.6
152.99538	1.1
163.62924	0.6
186.14972	6.4
194.11882	1.1
212.12930	1.3
230.13982	100.0
231.14349	6.1
320.54321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83643	0.5
59.01367	1.5
64.27567	0.4
69.37685	1.1
69.38113	2.7
71.06850	0.4
75.43939	0.4
96.96008	0.6
119.91508	0.5
127.97221	0.5
129.37634	0.5
134.04727	0.6
159.31003	0.4
164.32825	0.4
165.12910	0.5
167.14375	0.7
177.12860	1.0
183.13914	10.3
193.12424	1.1
195.13913	22.5
196.14285	1.5
197.09120	0.5
211.13403	31.8
212.13762	2.0
213.14970	9.1
214.15234	0.7
266.95132	0.5
309.20642	1.1
315.26950	3.7
341.24829	0.9
344.42065	0.6
359.25864	2.5
359.86560	0.5
366.23233	0.6
371.25507	0.5
377.27017	2.8
378.27042	0.5
389.27017	0.6
395.28006	1.1
407.28043	1.4
425.29108	100.0
426.29556	13.6
426.35257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03436	1.7
58.00598	3.4
59.01386	78.2
59.18283	1.0
59.47926	1.0
61.32373	1.3
61.98829	1.9
69.03471	5.8
71.01389	100.0
71.56242	2.1
72.01722	1.8
72.99308	3.7
73.02956	15.1
74.99095	4.2
75.00875	2.3
81.03472	5.3
83.01392	8.5
85.02965	27.0
87.00883	4.8
89.02456	93.9
93.03477	4.1
95.01395	4.1
96.96008	1.9
97.02974	9.6
99.00901	8.7
101.02454	30.2
104.88033	1.2
108.02193	1.2
109.02972	1.2
111.00881	3.6
111.04509	1.3
113.02469	20.6
114.02001	1.3
115.04041	1.6
119.03510	3.4
121.02934	2.0
123.00854	1.2
124.77428	1.1
125.02460	30.9
126.02831	1.3
131.03532	24.3
133.02956	2.0
134.03764	43.4
135.04596	7.5
136.99146	2.1
137.02467	1.8
138.06813	1.3
143.03511	5.4
149.02461	5.1
149.04568	24.4
149.06075	48.9
150.06470	3.2
153.09175	2.2
159.02963	1.6
160.01595	1.1
161.02466	1.9
161.04567	31.7
163.03992	2.3
164.04758	3.7
173.04573	6.8
175.00378	1.8
175.04031	2.7
179.03432	1.4
179.07312	1.4
188.05641	4.8
190.02739	9.5
191.05641	15.1
193.01440	1.3
196.01672	1.2
205.03514	1.1
205.05107	8.5
208.03653	1.8
219.71649	1.1
223.06204	7.1
233.06667	9.8
247.06087	2.0
250.10863	1.4
293.08820	34.2
294.09549	2.3
366.44901	1.4
376.98865	1.1
385.18570	4.1
426.18225	6.7
427.12067	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	427.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39986	1.2
53.24155	1.3
53.84004	1.2
55.01883	3.2
57.03453	2.5
59.01110	2.9
59.01384	40.5
61.98859	1.5
70.71289	1.7
71.01389	26.4
71.06123	1.8
71.06447	1.6
72.20799	1.4
73.02959	12.9
75.00892	2.7
83.01408	7.0
85.02955	17.3
87.00875	4.7
89.02447	8.3
93.02956	1.4
93.03461	9.7
95.01373	3.4
97.02923	2.2
99.00888	6.4
99.82760	1.2
100.62423	1.2
101.02452	37.4
102.02746	1.3
111.00879	2.9
111.04528	2.6
113.02466	17.0
116.04449	1.3
119.03505	1.9
129.01871	1.9
135.04543	37.8
137.02444	1.6
146.57098	1.5
147.04510	3.7
155.03520	3.4
157.02965	3.2
159.03003	2.8
161.02455	3.4
161.04565	12.5
162.03253	1.5
162.06912	1.7
163.04034	23.6
164.04741	2.0
173.04610	9.8
175.04025	13.9
177.09477	2.5
181.03267	2.7
191.01791	10.0
191.03304	1.8
191.04080	1.6
191.05577	8.1
209.02792	100.0
210.03110	5.2
221.08401	2.0
223.06110	3.0
229.01434	7.3
235.11884	95.7
236.12181	5.0
253.01770	34.5
254.02022	2.2
351.35828	1.3
367.16122	53.7
368.16388	4.2
383.07739	5.8
427.07010	33.6
427.12393	9.2
427.17532	8.7
427.62454	4.0
428.07428	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	427.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01391	9.1
60.34839	0.8
61.98846	1.0
67.01895	1.8
71.01382	5.1
73.02950	1.8
81.03477	1.0
83.01357	1.2
85.02960	8.2
87.00893	3.3
89.02452	1.9
93.03474	14.0
98.19925	1.8
101.02477	2.4
109.02975	1.3
111.00941	1.7
111.04516	3.7
113.02459	2.0
119.03445	1.0
119.05038	1.0
121.02974	2.0
127.04070	0.9
129.01939	1.5
133.02998	1.1
134.03758	17.0
135.04596	30.1
136.04907	1.4
137.02477	3.7
145.02986	1.8
147.04517	3.5
149.02390	3.9
149.06096	17.0
150.06415	9.1
155.03510	2.6
159.04515	0.8
160.01671	1.9
161.02496	3.9
163.04027	22.3
164.04651	2.7
173.04565	19.2
173.06052	1.1
174.03207	1.1
174.04782	0.9
175.00435	1.6
175.04007	15.1
176.04591	0.9
179.03545	1.0
181.03352	1.4
182.53070	0.7
190.01096	0.9
190.02759	2.9
191.01778	11.1
191.05629	30.9
192.06049	1.5
192.99635	1.5
193.01353	1.2
205.05127	1.8
208.03767	2.4
209.02794	100.0
210.03191	5.5
223.06152	6.8
235.00661	1.6
236.18240	0.9
253.01788	55.5
254.02190	3.9
263.03516	1.4
265.07236	1.2
278.06152	0.8
279.03149	1.4
281.04669	1.5
296.07025	0.8
308.03479	1.4
308.07166	1.1
309.03961	2.2
309.07343	0.9
318.10132	1.3
323.05692	2.4
324.06342	2.0
325.06924	1.0
338.08109	1.1
339.08826	5.4
340.09302	2.3
341.10373	0.9
350.04648	1.0
383.07935	1.1
427.07016	19.5
427.12534	8.7
427.17783	4.8
427.62610	2.8
428.07346	2.2
428.12570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01391	9.1
60.34839	0.8
61.98846	1.0
67.01895	1.8
71.01382	5.1
73.02950	1.8
81.03477	1.0
83.01357	1.2
85.02960	8.2
87.00893	3.3
89.02452	1.9
93.03474	14.0
98.19925	1.8
101.02477	2.4
109.02975	1.3
111.00941	1.7
111.04516	3.7
113.02459	2.0
119.03445	1.0
119.05038	1.0
121.02974	2.0
127.04070	0.9
129.01939	1.5
133.02998	1.1
134.03758	17.0
135.04596	30.1
136.04907	1.4
137.02477	3.7
145.02986	1.8
147.04517	3.5
149.02390	3.9
149.06096	17.0
150.06415	9.1
155.03510	2.6
159.04515	0.8
160.01671	1.9
161.02496	3.9
163.04027	22.3
164.04651	2.7
173.04565	19.2
173.06052	1.1
174.03207	1.1
174.04782	0.9
175.00435	1.6
175.04007	15.1
176.04591	0.9
179.03545	1.0
181.03352	1.4
182.53070	0.7
190.01096	0.9
190.02759	2.9
191.01778	11.1
191.05629	30.9
192.06049	1.5
192.99635	1.5
193.01353	1.2
205.05127	1.8
208.03767	2.4
209.02794	100.0
210.03191	5.5
223.06152	6.8
235.00661	1.6
236.18240	0.9
253.01788	55.5
254.02190	3.9
263.03516	1.4
265.07236	1.2
278.06152	0.8
279.03149	1.4
281.04669	1.5
296.07025	0.8
308.03479	1.4
308.07166	1.1
309.03961	2.2
309.07343	0.9
318.10132	1.3
323.05692	2.4
324.06342	2.0
325.06924	1.0
338.08109	1.1
339.08826	5.4
340.09302	2.3
341.10373	0.9
350.04648	1.0
383.07935	1.1
427.07016	19.5
427.12534	8.7
427.17783	4.8
427.62610	2.8
428.07346	2.2
428.12570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.4
61.98830	0.8
71.01387	1.4
71.56718	0.5
85.02956	1.2
87.00926	0.5
91.19372	0.6
93.03468	54.5
93.56853	0.5
94.03810	1.6
96.96010	1.2
101.02416	0.8
108.02204	0.7
111.00933	1.1
119.65676	0.5
137.02457	100.0
138.02843	3.6
143.46071	0.6
152.20773	0.5
170.77165	0.5
223.09737	0.5
265.14505	1.0
363.65747	0.5
367.14011	3.3
385.15143	3.7
386.15543	0.6
409.21701	0.6
427.15765	5.9
428.11438	0.7
428.16617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01732	0.7
61.25286	0.4
80.89787	0.4
86.58905	0.5
90.70090	0.5
148.04169	0.7
148.05316	7.5
148.06461	0.6
155.98630	1.3
157.98375	1.5
162.74782	0.5
163.07655	8.9
164.08142	0.5
237.67326	0.5
245.65189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00601	0.3
59.01386	100.0
60.01722	1.2
61.98843	0.8
62.42250	0.3
63.28162	0.3
70.72385	1.0
71.01398	1.1
85.02965	0.7
89.02471	0.6
93.03389	0.5
101.02497	1.0
111.00919	0.4
119.03552	0.4
121.02980	2.4
135.04576	0.4
148.05327	7.1
159.77405	0.3
163.07677	7.0
173.04565	0.5
191.05643	2.3
194.88306	0.4
200.47481	0.3
427.19644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14944	1.0
57.03455	100.0
58.03798	1.8
59.01387	89.6
60.01716	1.0
69.03450	1.2
69.23407	10.3
71.01389	18.6
72.99274	1.1
73.02962	7.7
73.60411	1.0
75.00900	1.4
81.03477	1.4
83.01384	2.6
85.02952	4.3
87.00890	1.3
87.04544	0.9
89.02463	13.6
92.86208	0.9
95.01428	1.7
97.67834	1.0
98.19849	1.9
99.04532	84.5
99.97541	0.9
100.04845	2.5
101.01795	1.4
101.02457	26.2
113.02464	12.2
119.03555	5.5
125.02461	39.8
126.02704	1.1
131.03476	1.2
132.02145	2.7
133.02998	2.0
134.03743	2.4
135.04561	1.4
143.03487	3.3
147.04504	1.9
149.04564	1.9
160.01675	18.1
161.04536	4.5
175.04030	18.7
176.04320	1.2
179.05582	2.8
193.05093	3.7
205.12379	1.1
265.65720	1.0
369.22690	2.3
427.15524	12.6
427.20825	1.8
428.16260	2.3
428.26358	1.9
435.13083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44589	2.2
57.03457	77.5
58.02971	5.8
59.01387	100.0
60.57782	2.1
71.01399	20.6
72.99321	3.6
73.02946	7.7
80.08554	2.0
81.03454	2.7
83.01389	3.1
85.02947	9.4
86.31683	2.1
89.02456	9.8
98.19865	6.1
99.00884	2.3
99.04525	60.9
101.02448	28.7
108.02135	3.7
113.02470	13.5
115.07664	3.0
117.11947	2.5
119.03519	7.0
125.02447	30.6
126.02621	3.1
135.04599	2.7
143.03539	2.4
145.03146	2.8
147.04503	6.9
161.02505	2.8
161.04521	6.5
173.04616	3.3
175.00380	3.1
179.05737	2.6
190.02779	4.3
191.05481	2.7
205.05020	3.6
223.13387	5.0
229.55641	4.0
242.23761	2.6
277.12115	3.7
357.34479	2.8
369.22961	5.6
384.27594	6.3
427.11307	3.2
427.19739	10.5
428.26443	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	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24233	1.9
55.01886	2.3
57.03448	2.3
59.01384	37.5
62.07901	2.2
62.41930	1.7
66.93449	2.0
69.43165	15.1
71.01391	27.8
73.02956	10.7
79.88278	1.8
80.04138	2.2
83.01392	5.3
85.02956	20.7
89.02440	4.5
93.03451	4.5
98.19889	3.8
99.00893	4.8
99.36197	1.9
101.02457	39.3
103.40008	2.2
113.02451	16.4
129.45226	1.9
134.86012	2.2
135.04565	19.2
147.04486	2.7
159.02962	3.6
161.02429	2.5
161.04630	12.8
162.06891	4.2
163.02786	2.0
163.04012	13.1
173.04558	6.8
175.04008	8.1
177.09332	3.5
191.01750	6.5
191.05675	4.8
209.02794	51.1
223.05861	2.6
229.01474	2.3
235.11884	100.0
236.12216	6.2
253.01825	16.7
257.18237	2.2
265.07098	2.4
286.41144	2.2
354.19681	2.1
367.16080	57.1
368.16382	6.6
383.08154	2.5
400.82928	2.1
427.07397	17.9
427.16833	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	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03436	1.6
59.01386	100.0
60.01717	1.2
60.75851	0.7
66.18790	0.8
66.64188	0.7
69.51208	3.1
69.51612	2.1
71.01391	22.7
72.99311	0.9
73.02956	19.6
74.65169	0.7
83.01389	4.1
85.02957	6.9
87.00868	1.2
89.02449	6.9
93.03474	2.2
95.01401	1.6
95.05013	0.9
97.02943	2.9
101.02454	16.1
105.07082	1.0
107.04988	0.8
108.05798	1.4
111.04504	1.2
113.02476	9.2
113.06123	1.7
119.03499	2.4
121.06587	0.8
122.03725	1.1
123.08150	2.0
125.02418	0.9
125.06071	2.1
127.53792	0.7
133.02950	1.1
136.05301	2.5
137.02463	1.9
138.06886	14.1
139.07701	4.2
143.03557	1.0
149.02455	1.0
149.06113	1.4
151.06552	1.2
151.07666	12.7
152.07285	1.1
152.08452	23.0
153.09235	64.9
154.09573	4.0
155.03543	1.0
161.02455	2.0
161.04578	6.3
163.11266	2.6
165.09180	1.6
173.04602	4.5
175.00291	2.2
190.02731	3.6
190.09912	1.1
191.05461	0.9
205.05142	4.1
205.12328	22.6
206.12604	0.9
210.84904	0.8
223.06073	1.2
223.13411	8.3
248.37120	1.0
265.09412	1.4
278.06152	1.6
308.10077	0.9
367.17633	4.1
385.18719	6.0
391.10367	1.8
410.55478	0.8
427.13077	4.2
427.18878	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	427.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03453	2.6
58.00600	1.0
58.02979	1.6
59.01386	100.0
59.49783	0.6
60.01721	1.1
61.34624	0.6
61.98830	3.2
69.03479	0.6
70.58960	1.3
70.59299	0.8
71.01392	33.0
71.05025	1.0
72.99320	2.2
73.02956	25.1
81.03458	0.6
83.01396	8.8
83.05038	1.2
85.02955	9.2
85.03454	0.6
87.00881	1.0
87.04504	1.2
89.02454	13.9
93.03484	2.1
95.01424	2.3
96.96027	0.9
97.02953	0.7
99.00917	1.8
99.04520	0.8
101.02457	29.0
109.06601	1.0
111.00891	1.0
113.02466	15.2
119.03495	4.9
120.05849	1.4
122.03824	0.6
125.02493	1.4
131.03545	2.2
133.03008	1.1
134.03816	0.7
135.04584	1.4
135.08163	1.0
137.02489	1.0
143.03555	2.5
147.04549	1.8
149.02501	0.8
149.04611	1.5
153.09232	13.8
154.09625	0.8
155.03546	1.4
161.02499	1.8
161.04579	8.0
162.91644	0.5
165.09251	2.5
173.04587	1.5
173.11806	0.7
175.00385	0.7
175.03972	0.8
177.18140	0.6
179.03467	0.9
179.05641	1.6
189.37820	0.6
190.02760	2.2
191.05663	1.5
195.13939	0.8
205.05099	2.3
205.12389	3.9
206.12778	0.9
209.11865	1.6
223.00676	0.7
223.06195	0.9
223.13472	3.6
227.12813	0.9
235.22659	0.6
255.41095	0.6
367.17734	2.6
369.22946	2.3
384.27554	3.8
385.18896	2.7
427.11768	0.7
427.20169	4.3
427.24667	0.7
428.26743	4.0
433.57663	0.6
448.40591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91328	0.6
55.01893	1.5
57.03450	2.3
58.00594	1.4
58.02983	0.8
59.01388	100.0
60.01681	0.6
60.60375	0.6
61.84305	0.6
61.98824	1.1
69.03468	1.3
69.23675	3.2
69.24100	2.6
71.01391	35.6
71.05032	0.6
72.99326	0.7
73.02959	41.2
74.63222	0.5
75.00898	0.7
81.03458	0.7
82.69338	0.7
83.01402	12.6
85.02966	7.8
87.00914	2.1
89.02463	12.4
93.03485	2.2
95.01413	1.4
95.54882	0.7
96.96071	0.6
97.02991	1.4
98.20621	0.9
99.00914	1.6
101.02459	38.8
101.12282	0.6
102.02808	0.8
107.05103	0.6
113.02467	16.9
119.03535	5.5
119.05090	0.6
123.08185	2.0
125.02507	1.8
131.03546	2.2
133.02946	0.7
134.03705	0.9
135.04576	1.2
135.08231	1.1
137.02502	0.7
138.67296	0.6
143.03513	3.7
149.04596	2.6
153.09247	8.3
155.03545	1.5
155.42349	0.6
160.01703	0.7
161.04584	8.2
173.04547	4.7
175.04063	1.0
179.05620	1.7
187.11400	2.0
190.02737	3.0
191.05626	1.4
203.05621	1.0
205.05083	3.3
205.12346	11.2
206.12650	1.0
221.06674	1.0
223.06165	0.9
223.13475	2.2
314.52142	0.7
367.17642	3.8
383.07758	1.4
384.27344	1.0
385.18661	6.2
427.12497	1.6
427.20032	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08088	0.8
53.03286	0.7
59.01386	100.0
60.01712	1.2
71.15709	1.6
149.84750	0.7
154.71581	0.9
157.25291	0.9
164.38008	0.8
199.84953	0.8
293.21344	5.4
330.05536	1.2
367.13495	3.9
392.13245	0.8
427.28574	1.3
428.10196	0.9
435.81870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01703	1.4
61.98821	1.2
68.56682	0.8
69.96981	4.2
96.92274	0.8
96.96021	1.8
98.92668	0.9
116.05057	3.2
117.05457	1.4
186.95396	1.1
196.24937	0.8
253.48685	0.9
427.26874	11.1
428.27252	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	427.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01160	9.0
59.01389	100.0
61.06601	10.3
61.98821	35.7
71.01369	13.1
71.55672	14.0
74.69922	10.3
78.95892	11.6
91.04031	23.1
96.96028	32.8
99.92598	29.8
115.92078	77.2
116.92853	56.7
120.99604	11.9
153.98265	11.5
163.61723	11.4
200.40158	11.2
213.25661	10.5
221.15503	90.6
291.19724	26.0
292.93896	12.3
309.20789	36.7
391.12054	30.2
427.28217	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	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	41.4
59.62048	8.5
61.21509	9.3
61.98831	32.7
69.48067	63.0
69.48478	17.9
71.01358	14.4
74.27036	9.2
78.95894	9.3
79.95756	9.9
96.96022	100.0
101.02389	11.3
114.23713	10.3
115.04341	9.1
197.11847	11.5
201.01389	10.2
212.33575	9.5
221.05779	9.3
309.20831	27.8
317.50510	11.9
344.94736	15.2
427.27658	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3218
Annotation	Ergosterol peroxide
Peak:m/z	Relative Intensity
59.01398	0.7
59.38757	0.1
67.49568	0.1
68.87479	0.1
69.69696	0.6
69.70107	0.3
72.99355	0.1
100.51996	0.1
138.05273	0.1
140.92705	0.1
144.93588	0.2
244.86795	0.2
372.42639	0.2
383.35141	0.2
427.32181	100.0
428.32538	15.5
428.37515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70865	1.1
52.28723	1.2
55.06100	0.9
56.47684	0.9
58.27676	1.0
59.01115	1.9
59.01390	33.0
65.10957	1.0
71.57717	1.6
74.06447	1.2
75.00883	9.0
83.00642	1.1
83.01396	1.2
100.45180	1.1
113.92633	17.5
114.93423	1.2
147.02979	2.9
147.04189	1.1
147.58116	1.1
177.07843	1.2
218.63049	1.1
279.23376	3.7
297.96823	1.2
307.29984	2.0
329.70035	1.2
342.71848	1.2
347.33255	4.2
349.31335	1.3
351.29153	1.4
365.34250	27.1
366.34659	4.5
367.32184	59.2
368.32471	7.1
369.30093	3.0
409.01157	1.1
409.33243	11.5
410.33298	1.7
427.34268	100.0
428.34543	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	428.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25250	0.5
51.15667	0.5
59.01383	3.8
61.98837	3.5
69.33916	4.4
71.01385	2.3
72.00916	13.0
72.99290	0.5
73.02970	0.6
77.31296	0.5
78.95898	0.7
85.02950	2.1
87.00881	1.1
89.02451	1.5
91.05561	0.7
93.03432	0.5
96.96002	1.4
96.97006	0.9
101.02477	1.1
113.02437	1.0
119.03464	0.5
119.05053	1.2
134.04749	1.9
135.04544	1.0
147.04533	35.9
148.04846	1.8
151.03996	0.7
161.04507	0.6
164.07176	100.0
165.07527	5.1
173.04498	0.8
191.01865	0.6
191.05635	0.8
207.06685	0.6
209.03033	0.7
219.19934	0.4
296.14355	1.6
370.37106	0.5
388.50232	0.6
428.11996	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84404	0.5
52.29169	0.6
56.15014	0.5
59.01390	3.1
61.98834	2.1
69.37526	2.6
69.37953	2.5
71.01400	1.7
77.56680	0.5
85.40177	0.6
87.00888	100.0
88.01236	2.3
88.04078	0.7
89.02456	2.7
98.19833	1.2
101.02460	1.1
119.03506	1.0
123.43323	0.7
124.61960	0.6
129.13853	0.5
148.50302	0.6
179.05606	1.7
181.45230	0.6
200.56955	0.7
291.07050	0.6
328.41229	0.6
341.10904	5.5
391.83609	0.6
453.57397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30524	0.8
57.03453	1.5
59.01388	78.4
60.01725	1.3
69.60823	4.6
70.39000	0.7
71.01387	9.9
72.99316	1.2
73.02953	2.3
77.08380	0.8
83.01380	1.2
85.02942	3.1
86.54025	0.7
87.00881	0.8
89.02462	7.4
91.01859	1.1
92.74971	0.8
93.03479	4.1
97.06587	0.7
99.00925	1.1
100.18985	0.8
101.02458	6.4
105.43007	0.7
107.03789	2.1
108.04568	13.1
109.02948	1.0
112.91327	0.7
113.02456	4.0
118.02991	5.0
119.03471	2.2
120.04580	10.0
121.02948	1.5
132.04582	3.1
133.03015	0.8
134.06142	23.5
135.04561	1.8
138.03246	1.0
144.04568	21.6
145.04936	1.0
146.02492	3.4
147.03281	61.6
148.03619	2.9
149.02470	4.6
150.03313	1.1
150.05592	1.6
153.01990	1.1
153.05533	0.9
160.04057	22.1
161.04588	4.6
162.05623	100.0
163.06020	3.6
164.03603	1.5
164.04819	5.6
165.05482	1.0
173.04604	0.8
175.00294	1.5
175.05167	0.7
176.03473	0.8
179.05750	1.1
179.07120	4.5
188.03549	27.0
189.03935	1.0
190.02713	2.4
192.03056	12.0
193.03685	1.5
205.04794	1.2
205.06352	2.5
206.04599	69.1
207.05319	16.0
208.06178	1.5
222.07732	28.7
223.07942	1.1
253.83600	0.9
297.04031	1.3
325.03409	0.9
327.04959	1.1
342.13531	1.2
343.04492	0.8
381.05444	0.8
383.88153	0.8
385.14120	7.0
387.20416	1.6
411.12173	5.0
429.08044	1.0
429.13290	2.5
429.21252	4.1
429.26440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97599	0.5
55.01871	0.7
59.01385	21.8
60.27981	0.5
62.56396	0.5
65.00342	0.6
65.30997	0.7
69.81640	0.9
69.82059	2.5
71.01394	10.4
73.02952	4.4
83.01398	2.3
85.02951	6.0
87.00863	0.7
89.02469	2.2
91.01903	1.3
93.03457	1.6
95.01417	1.0
98.20599	1.1
99.00904	1.3
101.02444	7.4
102.40902	0.5
107.05055	1.0
113.02469	3.4
119.01405	6.2
121.02967	3.9
125.16746	0.5
129.01942	0.6
134.03760	1.9
135.04544	3.2
137.02449	0.8
147.00900	8.2
149.02443	10.5
150.03227	1.0
151.04123	0.9
152.01151	2.0
161.04565	2.4
163.04022	4.2
164.04810	8.7
165.01936	1.1
169.05032	1.1
175.00380	34.0
176.00740	1.7
177.01869	0.7
179.07162	1.9
185.26855	0.6
189.01906	0.8
190.02731	89.4
191.03094	5.0
193.01347	0.7
194.02248	0.7
205.05072	100.0
206.05412	5.7
208.03734	1.3
209.04515	1.9
223.06161	17.3
223.08232	1.2
224.06505	1.5
251.05643	0.9
297.67267	0.7
387.20355	1.7
399.09216	2.2
414.11734	4.1
429.14029	83.9
430.14407	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	429.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98825	0.3
62.46251	0.2
69.38482	0.2
70.06286	0.2
70.06625	0.8
71.01369	0.3
76.02500	0.2
78.95905	0.9
79.95759	2.1
87.79436	0.2
96.96019	100.0
97.95959	0.2
99.92594	0.5
115.92075	0.3
118.90007	0.4
120.89694	0.5
134.89484	0.2
136.89137	0.2
136.94025	0.4
148.34682	0.2
171.10327	0.3
309.20691	0.3
393.13406	0.3
429.15503	0.6
429.25616	0.3
429.30356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79143	0.2
59.01380	0.6
70.87701	0.4
71.01379	0.3
72.38708	0.2
95.93600	0.2
99.00898	0.9
99.92598	4.8
100.92709	0.3
100.93374	4.8
100.96681	0.2
113.92659	0.2
114.78538	0.2
115.92092	100.0
116.92100	5.1
116.92882	5.7
117.92867	0.2
122.35584	0.2
132.92355	1.1
135.36360	0.2
142.94487	0.2
155.95293	0.4
172.95482	4.4
173.95554	0.2
212.19601	0.2
255.23328	0.6
308.16278	0.2
355.15985	0.6
368.32281	0.2
369.32617	0.3
371.15332	0.4
381.17206	1.1
382.17816	0.2
385.31122	0.2
411.18451	0.3
428.34518	0.3
429.14743	0.2
429.19479	4.1
429.34509	0.9
430.19656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68940	0.7
57.03457	1.2
57.42890	0.5
59.01387	100.0
60.01730	1.7
70.89211	1.5
71.01395	13.4
72.99322	0.7
73.02959	6.2
82.28699	0.7
83.01410	2.7
85.02973	6.9
87.00882	0.8
89.02451	5.6
93.03456	0.6
95.01424	1.1
99.00922	1.1
101.02454	10.8
113.02473	7.6
119.03560	2.6
131.03389	0.7
143.03441	0.7
155.27956	0.7
161.04623	3.3
163.11295	1.1
179.05708	0.9
225.15039	2.5
248.53818	0.6
321.50217	0.7
354.53851	0.6
361.22394	0.7
365.60013	0.7
369.19180	10.3
370.19464	1.1
387.20322	13.1
388.20911	1.7
429.21555	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	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
55.07148	0.5
55.99703	0.5
56.60977	0.5
56.62968	0.5
57.03451	1.2
59.01388	100.0
60.01715	1.3
60.32622	0.6
68.61383	0.5
69.03473	0.6
69.29983	4.2
71.01392	27.4
72.99333	1.4
73.02956	17.5
75.00888	0.8
81.03478	0.6
81.66356	0.5
83.01392	5.9
85.02960	7.8
87.00892	1.6
88.01309	0.5
89.02460	11.3
89.71940	0.5
93.03492	1.7
95.01395	2.5
97.02964	0.6
98.48595	0.5
99.00910	1.8
101.02459	21.3
108.02198	1.8
109.02990	1.6
109.33465	0.6
111.00918	0.7
113.02470	11.2
115.03956	0.6
119.01434	0.6
119.03499	4.3
121.02997	0.7
125.02440	1.0
128.03618	0.8
131.03572	1.5
133.02992	1.6
134.03719	0.8
135.04559	2.3
137.02473	1.3
138.07008	0.5
139.04024	0.6
143.03560	1.8
149.02480	1.9
149.04576	1.3
151.07651	0.7
152.01216	1.8
152.08441	3.5
153.01912	0.6
155.94728	0.6
159.02972	1.1
160.01616	0.7
161.02534	1.1
161.04599	5.4
163.11378	1.3
164.04843	1.1
164.70163	0.6
167.03508	0.6
168.16316	0.5
168.44226	0.6
173.04623	1.0
175.00333	3.5
175.04005	0.7
179.03452	0.7
179.05714	0.6
190.02744	7.0
191.03401	0.5
191.05708	2.0
192.28217	0.5
194.84608	0.5
203.05666	0.7
205.05084	8.6
206.05453	0.6
207.13994	0.7
215.01813	0.7
219.67371	0.5
223.06256	1.6
225.14987	2.9
249.35577	0.5
267.16138	0.6
268.06244	0.5
285.04144	1.6
297.04141	1.4
323.06097	0.6
324.03027	0.7
326.63116	0.5
369.06097	0.7
369.19260	8.2
370.19705	0.6
373.32120	0.7
386.05182	0.6
387.20340	20.0
388.20865	2.2
429.08481	2.3
429.14142	6.9
429.22076	4.7
430.14606	0.7
430.21747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
58.49099	0.6
59.01386	100.0
60.01715	1.0
69.40019	4.1
71.01387	8.0
73.02962	2.8
83.01404	1.7
85.02962	5.3
89.02457	2.8
95.01407	0.8
101.02471	5.0
108.02198	5.9
109.02991	3.3
113.02465	4.1
119.03506	0.9
120.27882	0.5
131.07152	1.6
146.76381	0.6
152.01184	5.5
153.01955	2.5
161.04567	0.8
170.31097	0.5
170.58208	0.5
173.04695	0.6
179.05573	0.6
189.12631	0.5
191.05592	3.0
207.13969	1.4
225.15007	1.7
225.88535	0.6
255.06772	1.2
275.11664	0.5
369.19254	5.2
370.19284	0.6
387.20389	5.2
429.14127	6.9
429.21384	3.3
430.14603	0.9
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
56.05721	0.3
57.03456	0.7
58.00591	0.7
58.02954	0.3
59.01385	100.0
60.01723	1.1
69.18869	0.8
69.19268	3.3
71.01387	13.8
71.05046	0.4
72.01755	0.4
72.99331	1.1
73.02946	1.7
83.01398	1.0
85.02954	2.8
86.86667	0.3
87.00903	1.3
89.02454	16.5
93.03480	1.1
95.01432	0.9
96.96062	0.3
99.00932	0.4
99.99841	0.3
101.02457	7.2
108.04546	2.3
109.02991	0.6
113.02461	6.1
118.03030	1.2
118.56967	0.3
119.03517	6.9
119.04327	0.5
120.04609	1.2
125.02502	0.4
131.03461	0.7
132.04541	0.5
133.02921	0.4
134.06133	3.8
134.06905	0.4
135.04590	0.6
137.02519	0.5
137.09712	2.6
143.03525	1.4
144.04558	3.8
147.03276	9.3
149.02492	0.8
149.04631	0.6
150.03271	0.4
153.02014	1.3
160.04094	3.5
161.04581	2.7
162.05618	16.2
163.06030	0.7
164.03632	0.4
164.04857	1.1
179.05649	3.8
179.07065	0.6
188.03525	4.5
190.02744	0.5
192.03012	2.1
197.47513	0.3
205.12276	0.4
206.04578	9.4
207.05293	2.3
222.07761	4.3
223.13457	1.3
257.14960	0.3
267.12567	0.5
281.80487	0.4
326.07889	0.5
327.05075	0.5
369.19333	0.5
370.10599	0.4
370.23239	0.6
385.14142	1.0
411.12097	0.7
429.21588	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	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19641	1.2
59.01386	100.0
70.11086	5.6
91.04009	2.4
94.92527	1.6
96.96012	5.2
102.12615	1.1
108.36771	1.1
109.19751	1.3
113.90964	1.2
152.99625	2.8
207.56619	1.3
210.27892	1.2
277.21820	1.4
278.35028	1.2
295.22794	12.0
420.13092	1.3
429.26135	2.6
429.31097	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	429.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49001	0.2
59.01386	1.2
64.98736	0.2
69.75620	0.5
69.76023	0.3
76.43010	0.2
81.03481	0.2
83.05027	1.0
88.96973	0.2
111.00885	0.3
147.82225	0.2
210.43806	0.2
317.00854	0.2
389.46542	0.2
429.33759	100.0
430.34109	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	429.3374
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
53.60959	0.2
59.01371	0.4
59.30957	0.2
69.25204	2.1
88.41918	0.2
98.20706	0.5
98.34980	0.2
108.95329	0.2
136.62613	0.2
139.13271	0.2
141.16075	0.2
225.16525	0.2
343.06192	0.2
429.33759	100.0
430.34137	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	431.0986
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01374	1.0
70.86049	1.3
70.86388	1.3
75.50259	0.8
77.03974	3.1
79.01891	2.4
81.33643	0.7
92.39263	0.7
93.03456	2.7
105.03472	1.0
117.03482	16.0
119.05039	1.5
121.02990	4.2
133.03018	0.9
135.04518	2.8
149.02422	2.5
159.04527	3.9
161.02496	6.0
163.00366	1.7
163.03996	4.7
165.01912	1.8
173.02423	0.9
175.03873	0.7
179.03568	0.9
191.03468	1.0
196.05338	1.0
197.06065	2.1
211.07657	1.5
215.07088	1.3
224.04753	0.8
239.07109	2.1
241.04967	0.7
253.05089	0.9
268.03824	3.1
268.78177	0.8
269.04556	4.1
281.04620	6.8
282.05304	3.4
283.06152	49.2
284.06403	4.8
293.04639	3.0
295.06219	2.7
309.04282	1.3
311.05634	100.0
312.05960	9.1
314.04391	1.8
323.05533	5.0
341.02600	1.4
341.06641	17.8
341.10669	1.3
342.07101	1.6
381.43555	0.8
400.26617	0.8
413.08755	1.3
422.59625	0.9
431.09854	70.4
432.10147	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	431.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
59.64631	0.8
60.99314	12.5
71.01391	5.0
71.54502	1.1
71.54877	1.3
73.02952	1.2
79.76427	0.9
85.02966	1.8
87.00903	1.7
88.98818	100.0
89.02440	7.5
93.03468	38.7
94.03815	0.9
99.00900	0.9
101.02455	1.2
101.51735	0.9
101.62122	0.8
108.02190	2.3
109.02944	2.1
113.02431	1.3
120.50559	1.0
125.02460	1.0
137.02461	77.9
138.02817	2.6
152.01192	2.0
153.02023	1.3
159.03920	0.9
251.62201	1.0
431.11642	5.6
432.12320	1.7
439.68994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38993	0.7
56.42176	0.6
59.01356	1.0
60.99317	14.3
62.01447	0.6
70.82178	0.8
70.82498	1.4
71.21399	0.6
83.57186	0.7
88.98817	100.0
89.02449	4.4
89.99177	1.1
93.03471	5.7
113.33447	0.8
137.02452	9.3
192.86525	0.7
236.16780	0.8
243.73827	0.7
292.75119	0.8
431.11703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80381	0.3
54.76982	0.3
56.72509	0.3
59.01384	7.0
61.98807	0.5
62.72197	0.3
64.24283	0.2
64.98762	0.3
65.03982	0.5
69.03440	0.4
71.01388	5.4
72.99323	0.3
73.02955	0.7
83.01390	0.4
85.02958	1.3
87.00893	0.3
89.02442	4.3
93.03468	47.0
94.03806	1.2
97.02901	0.4
98.19906	1.0
99.00881	0.4
101.02456	2.0
101.27795	0.3
108.02190	2.1
108.54983	0.3
109.02955	1.8
113.02422	0.9
119.05045	0.4
124.01719	0.3
125.02460	1.2
131.03510	0.8
133.05103	0.3
137.02458	100.0
138.02809	4.0
149.04562	0.7
149.99597	0.4
152.01164	2.8
153.01912	1.1
158.75806	0.3
161.04530	0.5
163.02267	0.4
165.84734	0.4
168.00653	0.7
191.05643	0.3
220.57510	0.3
267.07343	0.5
269.10352	0.5
297.06174	0.5
299.11249	0.4
315.07217	0.5
422.42499	0.3
431.11697	6.8
432.11948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1198
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
59.01385	4.7
60.82440	0.5
69.03461	2.5
71.01375	1.7
71.12798	0.8
71.13139	1.0
73.02943	0.6
79.01901	0.8
81.03456	0.9
81.58837	0.6
83.01411	1.1
85.02947	1.0
87.00929	0.6
89.02462	2.1
95.01396	1.9
97.02967	2.6
101.02447	1.4
107.01396	1.1
107.05061	0.6
113.02451	1.0
117.05592	2.1
123.00897	7.4
124.01675	23.6
125.02462	56.7
126.02835	1.4
137.02467	3.7
149.99606	31.7
151.00285	1.9
167.03479	0.8
168.00659	63.6
169.01344	5.8
174.60445	0.5
179.03493	1.1
269.06537	0.7
279.64587	0.6
312.11768	0.6
313.05725	3.2
331.06784	2.1
373.07864	0.9
413.10907	2.3
414.79169	0.7
431.11975	100.0
432.12357	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	431.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29242	1.0
55.01885	1.2
57.03448	1.8
57.39379	0.9
59.01388	49.4
61.98827	1.5
71.01392	27.2
71.55635	1.7
72.99350	1.2
73.02960	6.1
75.00896	1.2
83.01384	2.5
85.02953	10.2
87.00876	2.4
89.02464	21.8
93.03472	46.8
94.03819	1.0
94.50668	1.1
95.01386	1.1
97.02988	2.1
99.00872	2.0
101.02459	17.1
101.80229	1.0
108.02232	5.5
108.02814	1.1
109.02962	4.4
111.00079	1.3
113.02468	8.9
119.03544	5.5
119.04999	5.6
125.02449	4.7
131.03505	3.7
136.04050	1.4
137.02461	100.0
137.46147	1.5
138.02811	2.9
149.04622	7.1
149.99590	1.2
152.01166	8.2
153.01907	3.7
159.02962	1.5
161.02397	1.4
161.04573	4.8
168.00623	3.4
173.04620	1.1
179.03464	1.3
179.05653	2.4
191.05641	2.0
194.05780	1.4
209.08214	4.0
228.69498	1.1
249.05962	1.6
269.10355	4.9
299.11371	6.9
315.07199	1.5
431.11487	9.2
431.15704	11.9
432.16431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
53.70861	1.4
55.01887	10.8
57.03441	5.8
58.00592	3.5
59.01387	86.3
60.01715	1.7
66.03757	1.4
69.03458	2.1
69.28242	13.5
71.01392	80.5
72.99309	4.3
73.02554	2.2
73.02954	30.6
75.00865	1.6
79.55563	1.4
83.01392	17.4
85.02456	2.5
85.02966	43.6
86.71383	1.5
87.00903	3.7
89.02462	33.5
93.03443	2.7
95.01392	5.8
97.02956	3.1
99.00887	10.1
101.02459	100.0
102.02796	2.6
113.02457	37.1
119.03510	12.0
123.00907	1.4
124.01654	4.6
125.02451	12.4
131.03539	2.1
137.02460	4.2
138.02005	1.9
143.03493	6.6
149.04507	1.9
149.99580	3.6
153.01830	1.9
159.03018	7.2
161.04572	39.5
168.00655	13.1
173.04562	1.5
179.03467	2.5
179.05576	4.2
191.05614	3.4
194.05843	3.0
209.08163	4.9
256.62299	1.4
263.79056	1.3
269.10327	55.2
270.10669	4.8
311.05688	2.2
431.11084	7.3
431.16312	24.5
432.16092	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.23488	0.2
59.01387	0.7
67.35612	0.2
67.39525	0.2
69.28598	2.2
78.95914	53.9
85.82043	0.2
86.52953	0.2
96.96976	7.0
98.20601	0.4
145.41330	0.2
150.98044	1.7
152.99606	100.0
153.99945	1.3
171.00647	4.2
186.74121	0.2
210.24194	0.2
277.21823	0.7
283.06348	0.3
311.05609	0.4
387.06314	0.3
430.61871	0.2
431.22098	5.6
431.31696	0.8
432.22540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59082	0.2
56.95764	0.2
59.01369	0.7
61.57269	0.2
70.14565	0.4
70.14950	0.5
71.61687	0.2
77.46979	0.2
78.95911	73.7
87.95955	0.3
96.96970	6.1
105.18313	0.2
108.61496	0.2
149.95305	0.3
150.40070	0.2
150.98027	2.0
152.99602	100.0
153.99924	1.4
156.32010	0.2
171.00655	3.0
206.39052	0.3
277.21701	1.1
311.05783	0.3
431.22079	9.6
432.22687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87398	0.5
57.03465	3.4
59.01385	10.6
61.98829	1.4
65.00372	0.5
69.03450	0.6
69.76685	2.6
71.01392	1.8
73.02957	0.6
83.05045	0.9
85.02955	0.6
95.05016	0.6
96.96037	1.0
97.06601	13.2
98.06949	0.5
98.20541	0.8
101.02473	1.1
113.02439	0.7
117.03496	2.0
119.05058	0.6
121.02943	0.6
123.08172	5.5
125.09737	100.0
126.10094	5.4
131.08798	0.5
135.04547	0.7
143.10820	1.3
161.02513	1.2
169.08716	3.0
170.48657	0.5
185.54482	0.5
187.09778	85.8
188.10106	5.0
209.11774	0.8
209.13576	0.7
215.13216	0.5
243.12416	1.4
261.13464	21.4
262.13800	1.5
268.03766	1.0
269.04657	1.0
281.04648	1.8
282.05402	1.1
283.06155	10.7
284.06366	0.8
295.06155	1.2
298.66156	0.5
311.02054	1.1
311.05655	17.7
312.05881	1.2
323.05594	2.1
341.06757	5.5
371.20459	1.2
431.10065	10.9
431.22882	54.2
432.10245	0.8
432.23126	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03457	0.9
58.00599	0.5
59.01386	100.0
60.01728	1.1
69.28372	2.1
69.28786	1.2
71.01389	11.4
71.01778	0.6
72.99323	0.9
73.02958	2.9
79.95801	0.4
80.96563	0.4
83.01410	1.7
85.02956	4.9
87.00885	0.9
88.98875	0.4
89.02455	7.9
93.03483	1.8
95.01416	1.0
99.00897	1.0
101.02458	8.4
109.03026	0.4
113.02467	5.3
117.03484	0.7
119.03518	4.0
131.03566	0.6
135.04585	1.2
137.02475	2.8
143.03506	0.4
147.11803	0.4
149.02382	0.5
150.03357	0.4
154.02939	0.3
159.03096	0.4
161.02499	0.6
161.04597	3.0
167.03560	0.6
173.04637	0.5
179.05652	1.3
191.05672	0.9
205.05226	0.6
269.04849	0.4
269.14102	0.7
283.06064	2.4
298.05121	0.7
311.05637	4.6
312.06061	0.6
341.06854	1.8
371.07922	0.4
371.20801	1.9
389.21884	5.7
390.22415	0.7
431.09836	2.8
431.14658	0.6
431.19089	11.5
432.19559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03457	0.9
58.00599	0.5
59.01386	100.0
60.01728	1.1
69.28372	2.1
69.28786	1.2
71.01389	11.4
71.01778	0.6
72.99323	0.9
73.02958	2.9
79.95801	0.4
80.96563	0.4
83.01410	1.7
85.02956	4.9
87.00885	0.9
88.98875	0.4
89.02455	7.9
93.03483	1.8
95.01416	1.0
99.00897	1.0
101.02458	8.4
109.03026	0.4
113.02467	5.3
117.03484	0.7
119.03518	4.0
131.03566	0.6
135.04585	1.2
137.02475	2.8
143.03506	0.4
147.11803	0.4
149.02382	0.5
150.03357	0.4
154.02939	0.3
159.03096	0.4
161.02499	0.6
161.04597	3.0
167.03560	0.6
173.04637	0.5
179.05652	1.3
191.05672	0.9
205.05226	0.6
269.04849	0.4
269.14102	0.7
283.06064	2.4
298.05121	0.7
311.05637	4.6
312.06061	0.6
341.06854	1.8
371.07922	0.4
371.20801	1.9
389.21884	5.7
390.22415	0.7
431.09836	2.8
431.14658	0.6
431.19089	11.5
432.19559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3169
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
59.01372	5.4
65.33433	1.2
70.52458	3.7
76.64230	1.2
84.86177	1.1
85.06552	1.2
87.22227	1.1
110.86655	1.1
123.08164	1.7
142.01863	1.2
152.99576	1.8
159.35899	1.5
201.04694	1.2
316.80069	1.2
337.25278	3.7
353.28525	18.6
354.28854	2.9
369.31610	33.6
370.32016	4.2
387.32709	9.3
413.30676	3.7
431.31674	100.0
432.31879	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	431.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13438	0.2
55.76550	0.2
57.03447	0.3
59.01388	3.8
61.01780	0.3
61.98833	0.4
69.87674	0.4
69.88074	0.6
71.01392	0.6
71.05029	13.9
72.05367	0.5
73.02984	0.3
78.95917	3.3
84.86095	0.2
85.02996	0.3
87.04524	0.4
96.96022	15.6
99.04523	2.2
101.02491	0.3
115.04002	0.2
117.03502	0.3
152.99609	4.1
161.04605	0.3
171.08148	0.2
203.49423	0.2
283.06168	0.9
285.22363	0.3
291.23315	3.1
292.23615	0.4
311.05643	1.9
331.26474	0.5
339.23346	0.4
341.06683	0.5
341.24960	3.1
343.26544	0.5
355.26547	2.5
357.23984	0.4
357.28036	4.3
358.28360	0.4
359.29593	19.2
360.29996	2.3
369.27872	0.3
371.20795	0.4
371.29495	0.4
373.27563	1.5
385.31146	0.3
387.28809	0.3
387.33215	0.4
391.28433	1.2
401.30588	1.0
403.28546	2.8
404.29022	0.4
431.09686	1.0
431.31720	100.0
432.32077	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	432.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30412	0.1
53.43628	0.1
54.07093	0.1
57.03458	0.3
59.01387	1.9
61.98835	0.4
71.01385	1.3
73.02969	0.3
75.00892	0.2
79.39816	0.1
82.38857	0.1
83.01457	0.1
85.02966	0.5
87.00883	0.3
89.02451	1.5
93.03484	0.7
99.04556	0.2
101.02444	0.6
108.02185	13.3
109.02512	0.4
113.02452	0.3
119.03546	0.3
120.23405	0.1
121.02967	0.1
123.03285	1.4
125.02451	0.5
126.02760	0.1
131.03535	0.2
133.02989	0.2
135.04544	0.3
135.88100	0.1
137.02457	0.6
138.01987	100.0
138.05603	15.2
139.02342	3.1
139.05960	0.7
149.04565	0.4
150.03331	0.1
151.07782	0.1
153.01959	0.1
154.48988	0.1
161.02475	0.2
161.04628	0.2
173.04562	0.3
179.03447	0.1
180.06657	0.2
191.05664	0.8
195.06602	0.1
197.04733	0.2
201.90944	0.1
217.05168	0.3
234.18253	0.1
293.08942	0.3
300.11163	0.3
339.98788	0.1
432.15295	1.4
433.15674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03445	1.8
57.86189	0.7
59.01386	100.0
60.01725	2.1
61.98837	71.7
69.29872	4.4
69.30299	2.3
71.01390	16.0
73.02952	7.3
78.65105	0.7
80.05577	0.7
83.01415	3.1
85.02954	5.9
87.00897	2.4
87.04543	1.3
89.02453	10.3
93.03483	2.2
95.01402	1.0
98.20592	1.7
99.00894	1.0
101.02443	13.6
112.48444	0.6
113.02451	6.6
117.03513	1.1
119.03507	3.9
125.02505	2.0
131.03545	2.0
133.03036	0.7
135.04617	0.7
143.03537	1.1
145.03027	0.7
149.04619	1.4
159.03032	0.9
161.04564	7.0
173.04602	2.7
174.04967	0.8
175.50705	0.7
179.05690	1.5
191.05600	3.5
192.06087	1.1
197.06071	0.7
217.08089	0.9
221.06776	3.1
253.18063	1.1
258.08420	1.1
282.05258	0.9
283.06149	1.9
284.06500	4.2
296.06305	0.9
299.52084	0.8
311.05771	3.1
312.06027	9.1
324.06012	1.7
342.07089	2.9
370.74194	0.8
373.22723	1.3
389.12512	1.0
432.09778	7.2
433.10782	1.2
433.20825	2.9
433.25397	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	433.1356
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01876	2.7
57.03437	2.8
58.00592	2.0
59.01385	70.9
69.03465	8.6
69.55212	7.9
71.01389	100.0
72.01708	1.4
72.99303	3.4
73.02957	11.4
75.00891	1.8
79.01867	1.1
81.03459	3.2
83.01394	4.7
85.02959	14.0
87.00886	3.8
89.02454	88.5
90.02768	1.4
93.03464	9.3
95.01395	4.1
96.96006	3.2
96.96938	1.4
97.02964	8.8
99.00860	4.3
101.02453	21.9
113.02466	16.8
119.03528	3.1
119.40015	1.3
121.02975	3.2
123.00900	5.5
124.01677	30.2
125.02471	32.8
131.03525	18.8
137.02449	15.7
138.02785	1.4
139.04015	12.3
143.03539	3.2
149.04573	19.3
153.01921	1.4
161.04619	5.5
165.05563	1.8
167.03499	1.2
168.00591	1.6
173.04584	2.6
179.03471	3.8
191.05615	12.2
198.16513	1.3
233.06696	7.4
239.05667	3.2
292.03146	1.4
293.08850	20.2
294.09198	2.1
301.09412	1.3
386.24774	1.1
404.83200	1.4
433.13577	12.9
434.13800	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	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64836	0.5
59.01101	0.9
59.01385	10.4
69.81147	1.7
71.01389	8.0
72.99294	0.6
73.02955	1.0
83.01340	0.4
85.02977	2.5
87.00879	0.6
89.02454	6.1
92.02763	0.7
93.03471	38.8
94.03810	0.7
95.01408	1.4
98.19965	0.7
101.02454	6.8
101.52798	0.5
113.02477	3.1
114.21668	0.5
119.03529	1.6
121.02910	0.6
131.03502	0.7
135.04555	1.3
136.01663	6.0
137.02461	100.0
138.02797	3.1
147.04550	0.6
151.04054	3.0
151.06146	2.7
161.04558	0.5
163.04013	0.6
178.27284	0.5
179.03516	25.5
180.03893	1.2
209.04568	3.7
221.04535	0.5
239.05632	15.8
240.05867	1.1
281.06671	3.0
299.07849	2.4
331.56198	0.5
383.95517	0.5
433.13531	86.5
434.13867	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	433.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41119	0.3
57.03459	0.8
59.01387	5.0
61.98838	0.5
65.03967	0.4
71.01396	2.0
71.05040	0.8
73.02962	0.3
85.02972	1.4
87.00890	0.4
89.02471	1.0
93.03473	45.3
94.03810	1.7
99.04495	0.4
101.02478	1.1
109.02964	0.7
111.04539	0.5
113.02445	0.6
119.03485	0.4
121.02960	0.3
125.02435	0.4
127.04041	0.9
133.03015	0.9
135.04532	2.5
137.02463	100.0
138.02809	4.3
155.03558	0.4
159.04533	0.4
161.02483	1.8
161.04549	0.3
173.04588	2.5
176.36227	0.3
179.03477	1.5
191.05605	3.4
243.06573	0.5
258.00958	0.4
340.72714	0.3
353.08875	0.8
387.20215	0.7
433.20749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91600	0.6
55.01891	1.3
57.03458	1.4
59.01384	100.0
60.01724	1.6
61.98839	2.1
65.00333	0.6
68.99821	5.6
69.31899	3.1
69.32328	1.9
71.01387	15.6
73.02957	6.0
73.89678	0.6
83.01408	2.8
85.02963	7.0
86.00091	0.8
87.00889	1.9
89.02458	6.5
93.03493	2.3
95.01422	2.4
95.05049	0.8
96.96021	1.2
97.02964	1.0
99.00898	2.1
101.02452	13.2
105.03498	0.7
109.02950	1.5
113.02462	5.6
119.03514	2.6
119.05031	1.5
121.02958	0.9
123.00888	3.7
123.42508	0.5
125.02441	5.2
135.04564	1.3
137.02444	2.7
138.03221	8.5
139.04022	1.9
143.03500	0.8
145.02974	1.1
149.02438	1.2
149.04538	0.5
149.13351	0.7
151.00400	2.4
151.04019	2.4
153.01970	4.5
153.05586	12.3
159.03029	0.6
159.06679	0.9
161.02458	7.6
161.04527	6.3
162.03241	1.1
163.00410	0.7
163.15126	0.6
164.04628	0.6
165.01958	3.8
168.04285	18.2
173.04572	2.2
175.00383	3.4
176.01166	9.3
176.04802	4.0
177.01933	6.8
177.05547	1.0
178.02756	3.6
179.03496	11.4
179.05634	1.0
180.04210	1.4
190.02728	0.9
191.03548	9.0
191.05623	2.2
191.07172	1.1
192.04289	13.0
193.01433	8.6
193.05028	5.6
194.02139	0.7
194.05865	10.4
195.06505	0.6
197.11842	2.2
205.05106	1.0
205.34435	0.6
207.03133	0.6
207.06645	17.5
208.03789	15.5
208.06900	1.0
209.04514	1.3
209.08208	15.7
209.10039	1.2
210.08565	1.0
223.06134	30.8
224.06653	3.4
238.04878	1.9
249.09909	0.8
271.06042	3.3
271.19226	0.8
285.06815	0.7
301.16574	7.4
313.06241	1.1
313.16751	0.8
373.22366	2.3
385.13202	2.3
403.14066	2.3
415.14166	2.2
433.10614	0.9
433.15067	5.5
433.20917	5.5
433.25287	2.2
434.15234	1.1
434.24628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91600	0.6
55.01891	1.3
57.03458	1.4
59.01384	100.0
60.01724	1.6
61.98839	2.1
65.00333	0.6
68.99821	5.6
69.31899	3.1
69.32328	1.9
71.01387	15.6
73.02957	6.0
73.89678	0.6
83.01408	2.8
85.02963	7.0
86.00091	0.8
87.00889	1.9
89.02458	6.5
93.03493	2.3
95.01422	2.4
95.05049	0.8
96.96021	1.2
97.02964	1.0
99.00898	2.1
101.02452	13.2
105.03498	0.7
109.02950	1.5
113.02462	5.6
119.03514	2.6
119.05031	1.5
121.02958	0.9
123.00888	3.7
123.42508	0.5
125.02441	5.2
135.04564	1.3
137.02444	2.7
138.03221	8.5
139.04022	1.9
143.03500	0.8
145.02974	1.1
149.02438	1.2
149.04538	0.5
149.13351	0.7
151.00400	2.4
151.04019	2.4
153.01970	4.5
153.05586	12.3
159.03029	0.6
159.06679	0.9
161.02458	7.6
161.04527	6.3
162.03241	1.1
163.00410	0.7
163.15126	0.6
164.04628	0.6
165.01958	3.8
168.04285	18.2
173.04572	2.2
175.00383	3.4
176.01166	9.3
176.04802	4.0
177.01933	6.8
177.05547	1.0
178.02756	3.6
179.03496	11.4
179.05634	1.0
180.04210	1.4
190.02728	0.9
191.03548	9.0
191.05623	2.2
191.07172	1.1
192.04289	13.0
193.01433	8.6
193.05028	5.6
194.02139	0.7
194.05865	10.4
195.06505	0.6
197.11842	2.2
205.05106	1.0
205.34435	0.6
207.03133	0.6
207.06645	17.5
208.03789	15.5
208.06900	1.0
209.04514	1.3
209.08208	15.7
209.10039	1.2
210.08565	1.0
223.06134	30.8
224.06653	3.4
238.04878	1.9
249.09909	0.8
271.06042	3.3
271.19226	0.8
285.06815	0.7
301.16574	7.4
313.06241	1.1
313.16751	0.8
373.22366	2.3
385.13202	2.3
403.14066	2.3
415.14166	2.2
433.10614	0.9
433.15067	5.5
433.20917	5.5
433.25287	2.2
434.15234	1.1
434.24628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66061	12.7
57.02872	11.1
57.14433	9.5
59.01381	100.0
61.98833	25.6
71.55948	11.3
81.31850	10.9
85.02933	13.7
87.47806	11.7
93.03519	12.6
96.96035	19.1
101.02474	13.3
108.73211	10.9
123.20554	12.3
124.81619	10.8
197.11794	14.2
234.26840	11.7
328.45273	10.6
377.12878	11.7
433.30124	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	433.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.1
62.90746	3.3
71.01382	12.6
71.05044	5.7
72.99300	3.2
73.02950	3.6
80.15176	2.6
83.01398	3.3
85.02973	7.7
87.00874	3.4
89.02451	4.9
96.95998	16.6
97.06601	5.4
99.00890	2.8
101.02441	10.9
122.03769	4.2
213.15004	5.4
228.98619	3.4
248.60103	2.9
271.22794	22.1
287.16479	18.3
299.99100	4.7
305.17584	12.1
346.79730	3.1
371.29550	6.1
389.26550	4.0
397.12686	4.0
415.27261	3.3
418.13669	3.5
433.28302	100.0
434.28345	11.1
447.11856	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	433.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11158	1.8
52.15327	1.6
52.52634	1.7
54.39610	1.7
57.03465	3.2
59.01387	21.4
59.50458	1.6
61.98842	3.1
69.47994	12.8
71.01392	11.9
71.05025	2.2
73.02962	3.6
85.02948	4.4
96.96024	7.4
97.06594	2.2
98.20652	3.6
99.00898	1.9
101.02447	4.4
111.00913	1.8
112.68369	1.8
113.02509	3.1
118.67282	1.9
121.02986	2.1
121.06686	1.6
165.09244	2.5
165.81711	2.0
213.15100	4.4
235.09863	1.9
271.22809	21.2
271.82266	1.8
272.23077	2.5
287.16626	9.6
305.17490	9.6
306.18185	2.2
371.26044	3.1
389.26846	2.2
415.21387	2.3
415.27032	2.6
433.09814	2.3
433.28226	100.0
434.28610	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	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01385	100.0
60.01727	0.9
60.46388	0.5
69.52946	0.4
69.53297	3.4
71.01392	4.7
72.99307	0.6
73.02967	1.5
75.00890	0.9
83.01398	0.5
85.02971	2.0
85.60895	0.5
87.00932	1.1
89.02460	2.4
93.03470	1.1
96.96024	0.8
99.00924	0.6
99.04533	1.4
101.02445	3.4
111.00899	0.8
113.02432	2.2
119.03526	0.6
132.25812	0.4
135.04539	0.8
137.02475	1.5
159.04515	0.4
161.02499	0.7
161.04553	0.6
173.04535	1.4
179.05611	0.5
183.10306	0.6
191.05682	2.0
211.13469	0.6
241.14577	0.7
261.16000	0.5
267.07285	1.1
284.06680	0.7
285.06784	1.0
311.05768	0.7
313.06302	1.7
317.17084	0.5
323.05801	0.5
343.07397	0.9
389.12888	1.1
433.10544	1.5
433.17047	2.3
433.21594	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	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01726	0.9
61.98836	1.3
69.23956	3.9
71.01395	4.3
73.02944	2.2
85.02986	1.6
87.00890	0.5
89.02465	1.8
95.01403	0.4
98.20615	0.7
99.00933	0.8
101.02450	3.8
104.23553	0.4
113.02493	1.7
117.75089	0.4
119.03516	0.8
131.03471	0.8
143.04628	0.6
153.02023	0.6
159.03035	0.4
161.04570	1.8
203.05693	0.5
221.06731	1.2
236.10536	0.4
246.25775	0.3
267.80389	0.4
283.54462	0.4
331.17676	3.3
373.18527	0.6
378.12820	0.4
379.84912	0.4
427.13440	0.4
433.11002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.4
58.06600	0.4
59.01387	100.0
60.01721	0.7
69.03453	0.4
70.53379	0.8
70.53706	0.5
70.58193	0.4
71.01389	4.8
73.02956	2.2
73.43483	0.4
83.01417	1.1
85.02965	2.1
86.94132	0.4
87.00875	0.5
89.02470	1.7
93.03480	0.4
95.01358	0.4
101.02449	3.4
113.02480	1.9
119.03544	0.8
125.02535	0.4
131.03477	0.7
136.04077	0.4
137.02507	0.4
161.04552	2.1
173.83641	0.3
203.05679	1.1
221.06752	1.8
313.16803	1.4
331.17725	5.0
373.18826	0.7
433.28595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01728	0.8
63.20758	0.4
69.22623	0.8
69.23026	3.4
69.83636	0.4
71.01396	7.4
73.02959	1.7
78.95537	0.4
79.75781	0.3
83.01396	0.6
85.02958	2.2
87.00930	0.5
89.02457	5.1
95.01448	0.5
98.19923	0.6
101.02465	4.2
111.00888	0.4
113.02489	3.0
119.03516	2.0
121.59517	0.4
143.03564	0.5
149.04517	0.4
161.04642	1.5
173.04581	0.6
179.05695	1.0
191.05663	1.0
233.16086	0.4
253.04973	0.5
271.06378	0.4
271.19318	0.8
433.24762	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	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03466	0.5
59.01387	100.0
60.01724	0.6
61.98840	2.3
71.01391	9.2
71.56477	0.7
72.99329	0.8
73.02954	2.5
78.18460	0.4
82.19958	0.4
83.01422	1.2
85.02955	3.4
87.00900	0.9
87.04536	1.4
89.02454	3.6
93.03513	0.6
95.01391	0.8
99.00914	0.7
101.02460	7.0
113.02460	4.6
119.03535	1.5
134.03741	0.5
135.04584	0.9
143.03499	0.5
156.71144	0.5
159.02969	0.9
161.02507	1.1
161.04576	4.0
162.02911	0.5
173.04617	0.9
191.05768	0.8
193.05070	0.6
373.22406	9.6
374.22519	1.2
391.23523	1.2
433.24307	7.1
434.24664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01389	4.4
59.62926	0.8
69.03463	6.3
69.46818	0.7
69.52605	0.8
71.10592	0.7
71.10909	1.8
76.25370	0.7
78.95486	1.2
78.95916	20.2
90.04198	0.9
95.05042	0.8
96.96023	0.9
96.96977	1.8
97.02952	3.3
99.00890	2.4
105.01967	0.8
141.19728	0.8
152.99599	29.6
163.11279	1.9
171.00690	1.4
189.75235	0.9
199.61632	0.8
261.94324	0.9
311.23666	1.2
327.26846	1.9
341.28491	2.1
343.30096	4.4
345.31607	2.5
355.26416	3.6
371.29568	26.4
372.30118	3.9
387.29120	6.3
388.29324	1.3
389.30527	6.6
415.28427	5.4
433.29553	100.0
434.29877	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	433.2961
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
59.01400	4.6
64.24768	0.9
71.05024	0.9
71.13109	1.5
72.30592	0.9
78.95914	31.7
78.96384	1.5
85.06608	6.8
96.96030	1.7
96.96949	4.2
97.02943	1.2
137.06071	1.4
142.56923	0.8
150.98047	0.9
152.99602	51.2
171.00635	2.9
172.21333	0.9
225.12094	0.9
262.29831	1.0
341.24930	3.0
345.31586	2.1
371.29550	61.8
372.29901	10.4
382.25211	1.3
389.30612	3.7
397.27475	4.4
415.28558	80.9
416.28928	10.9
433.24100	5.1
433.29568	100.0
434.24265	0.9
434.29895	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	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03442	0.8
59.01389	54.3
60.01719	2.8
61.01815	0.9
61.98838	100.0
67.84304	0.6
69.45529	4.2
69.45914	1.1
70.27857	0.5
71.01392	4.1
72.01723	0.7
73.02953	0.9
83.01406	1.0
83.74541	0.6
85.02962	2.8
85.56528	0.6
85.61388	0.6
87.04546	0.6
88.23859	0.7
89.02454	2.1
93.03487	1.2
95.01401	0.6
96.96020	0.7
97.02971	0.6
101.02448	3.1
109.02979	1.3
113.02486	1.8
119.03548	0.9
133.02919	0.6
135.04565	1.8
144.28265	0.7
153.01862	0.7
161.02472	0.8
161.04573	1.3
162.66289	0.6
173.04597	2.6
179.03363	0.6
191.05641	2.2
375.20041	0.9
429.94254	0.7
434.11560	1.1
434.28415	1.9
435.26102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
59.01383	8.1
69.27313	5.6
69.27739	2.2
71.01395	6.6
73.02956	2.0
83.01420	1.2
85.02970	5.5
89.02490	0.8
93.03471	17.2
95.01392	2.4
96.99332	1.1
101.02456	4.8
105.02897	1.0
108.02185	59.2
109.02976	34.0
113.02473	3.4
121.02988	2.0
123.00872	2.1
135.04460	1.0
136.01695	1.3
137.02460	26.3
151.00391	1.9
152.01175	71.2
153.01979	25.4
161.04517	0.9
163.04036	1.8
165.01929	4.5
166.02710	2.5
173.04587	1.6
179.03502	2.5
180.04294	2.7
181.05035	2.7
191.05597	1.3
194.05734	0.8
195.06590	3.2
210.05508	1.2
220.45633	1.0
225.07674	2.8
281.06647	5.8
286.06827	1.6
312.06216	1.3
313.06305	1.1
314.06592	1.6
315.07269	11.9
316.07413	1.1
327.08749	2.1
342.10965	2.3
357.13480	7.1
391.10001	2.1
435.09351	100.0
436.09641	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	435.0936
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
57.03449	1.5
58.00607	0.8
59.01112	0.8
59.01390	13.0
60.19999	0.7
61.74310	0.6
61.98834	3.0
67.01897	0.9
69.03462	0.9
69.22199	1.3
69.22607	5.7
70.56828	0.6
71.01391	10.5
72.99329	1.8
73.02959	2.6
75.00874	2.8
81.03455	1.7
83.01397	2.2
85.02959	8.7
87.00881	1.4
89.02461	2.3
93.03470	18.6
94.03780	0.7
95.01392	2.5
96.99304	0.8
99.00888	1.2
100.98804	0.8
101.02446	7.4
107.39685	0.7
108.02187	65.9
109.02980	36.4
110.03295	1.1
111.00878	1.2
113.02470	3.8
115.92099	0.7
116.27837	0.6
118.99860	1.0
119.03485	0.8
119.04999	1.1
121.02954	2.2
123.00900	1.2
123.04566	1.3
133.02936	1.8
135.04521	2.7
136.01680	1.3
137.02464	27.7
149.02437	0.6
151.00348	1.5
152.01169	78.8
153.01961	24.9
154.02344	1.0
161.02469	1.5
161.04623	1.2
163.04028	1.3
165.01970	4.5
165.05551	0.7
166.02693	2.1
173.04555	5.3
174.05190	0.6
175.04030	1.1
179.03554	4.5
180.04218	2.8
181.05049	2.6
185.11873	1.2
191.03836	1.0
191.05630	7.2
194.05865	0.7
195.03020	0.8
195.06680	4.0
199.09825	1.9
210.05305	1.0
214.02658	0.7
225.07681	2.2
227.05608	1.1
235.80363	0.7
242.05762	0.7
243.06561	0.8
252.50096	0.7
253.03464	1.0
265.07574	0.7
274.58612	0.7
281.06693	7.0
297.02563	1.3
312.06467	0.9
315.07239	11.1
327.08664	2.7
342.11038	1.7
353.58755	0.7
357.13568	4.3
375.14688	0.7
387.14407	1.0
391.10159	1.6
391.23273	1.5
399.12881	1.2
435.09332	100.0
436.09671	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	435.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22852	0.6
58.32708	0.5
59.01389	12.2
61.98835	1.8
65.03963	0.6
68.99835	0.6
69.03458	0.7
71.01391	5.1
73.02970	1.9
81.03471	0.9
83.01411	1.6
85.02953	3.5
89.02446	0.8
91.83343	0.5
93.03468	68.4
94.03826	2.4
95.01395	1.6
98.20695	1.0
101.02466	1.9
108.02187	63.9
109.02987	27.1
110.03289	0.7
113.02473	2.0
121.02940	1.3
123.00881	1.0
123.04548	0.9
123.45744	0.6
133.02907	0.6
135.00923	0.8
135.04510	1.4
137.02458	100.0
138.02785	3.7
148.05315	4.0
149.02420	0.6
151.03995	1.4
151.60756	0.6
152.01167	84.4
153.01965	37.2
154.02264	1.1
161.02501	1.2
163.04028	1.8
163.07657	1.7
165.01968	1.4
173.04578	0.8
179.03523	1.4
192.50645	0.7
195.03024	0.9
225.04146	0.8
229.03639	0.8
271.04623	1.2
297.06192	20.3
298.06497	1.6
303.92096	0.7
311.63446	0.5
315.07227	17.6
315.10416	0.6
316.07501	1.3
319.23029	0.6
386.99225	0.7
396.53720	0.8
435.09314	95.4
436.09674	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	435.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46669	0.4
53.10250	0.3
54.32770	0.3
55.89450	0.3
57.03471	0.3
59.01105	0.5
59.01388	7.2
59.42830	0.3
61.77108	0.3
61.98831	1.5
63.29800	0.3
65.03970	4.1
65.83019	0.3
67.01909	1.3
69.03469	0.6
71.01391	12.0
71.13076	0.5
73.02969	1.0
77.29746	0.3
83.01402	0.5
85.02972	1.0
89.02456	9.9
90.92079	0.3
91.01888	1.0
92.60097	0.3
92.60783	0.3
93.03468	46.2
94.03806	1.2
96.95990	0.6
97.02979	0.4
99.45606	0.3
101.02457	0.7
109.02963	27.5
110.03300	1.3
113.02481	0.8
115.04011	0.4
123.99586	0.4
132.27126	0.3
135.00902	9.1
135.04543	0.6
136.01167	0.3
137.02458	75.8
138.02771	2.7
143.03514	5.0
149.99663	0.4
153.01952	100.0
154.02301	3.3
159.02998	0.4
159.97279	22.0
161.02484	0.7
161.04608	0.3
173.04582	0.5
191.05586	0.8
213.98315	0.5
231.99382	7.8
233.06659	3.6
273.07697	1.0
275.07703	0.5
281.06699	0.8
297.06180	0.5
315.07050	0.9
371.11499	0.4
376.03619	1.3
381.56757	0.3
394.04599	2.6
435.09308	10.7
436.05475	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	435.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
64.25858	0.5
68.68004	0.5
69.38615	3.3
69.39029	1.3
70.81293	0.5
71.01396	3.2
71.01735	0.5
73.02966	0.7
85.02956	2.0
89.02456	0.9
96.95972	0.5
101.02464	2.7
108.02222	0.7
113.02456	1.0
115.39274	0.5
119.03547	0.8
121.02969	100.0
122.03298	4.0
123.00883	1.7
139.00493	0.6
140.01160	1.5
156.05820	1.7
161.04546	1.8
191.05618	0.9
201.05598	16.0
202.05907	1.0
222.44803	0.5
277.09360	4.7
316.70325	0.5
375.05798	0.6
381.12164	2.5
399.13004	12.5
400.13348	1.9
433.37625	0.6
435.10959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60600	1.1
59.01387	56.3
64.83823	1.1
71.01389	3.5
71.54454	1.4
71.54875	1.4
74.78333	1.1
75.95093	1.2
78.69916	1.1
85.02956	2.9
93.03461	2.1
96.20998	1.1
116.28468	1.3
116.36314	1.2
121.02930	4.9
122.03744	3.0
128.97229	1.3
130.08669	1.3
143.57893	1.2
150.03244	32.4
159.16650	1.2
165.05583	100.0
166.05881	4.8
168.99959	2.4
173.04567	1.3
175.02530	3.2
191.05629	10.4
191.26201	1.3
195.01462	4.5
201.00447	9.6
213.07700	12.8
219.01471	4.2
243.01500	1.5
273.04703	14.5
297.02493	1.3
315.22256	1.2
357.04440	1.8
375.05795	15.5
376.05853	2.0
393.06711	3.6
435.07712	5.5
435.13138	2.3
436.07965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01386	13.1
68.79022	0.6
69.03500	0.6
70.69931	1.1
70.70242	0.7
71.01390	12.6
72.99315	4.2
73.02940	0.9
75.00877	15.5
83.01401	0.9
85.02960	15.7
87.00873	6.2
89.02436	3.1
89.79253	0.6
95.01396	5.0
95.21218	0.5
99.00883	8.6
101.02453	0.8
101.06091	100.0
102.06457	1.8
103.00375	2.7
113.02466	23.6
113.84673	0.7
115.00381	1.5
117.01952	3.0
124.66327	0.6
129.01982	0.7
157.01443	1.2
175.02461	3.8
193.03590	1.9
205.07152	1.2
249.06128	3.2
333.11969	3.5
351.12991	7.6
401.77716	1.0
417.17569	1.4
435.18707	58.5
436.19046	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	435.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03454	10.9
57.44334	0.5
58.00607	0.7
58.68988	0.5
59.01385	100.0
60.01726	0.9
61.98846	3.7
62.78186	0.5
67.01903	0.9
68.99821	1.8
69.03468	1.9
71.01389	19.3
71.32733	1.1
71.78452	0.6
72.99305	4.5
73.02960	2.5
75.00881	14.2
81.03464	1.5
83.01403	1.6
84.43044	0.5
85.02958	19.1
87.00890	6.0
87.04522	6.4
89.02441	4.4
93.03477	1.5
93.30141	0.5
95.01392	3.7
97.02981	0.7
99.00890	8.4
99.04530	8.6
101.02467	5.3
103.00421	1.5
111.00836	1.2
111.04510	1.0
112.18830	0.6
113.02463	23.5
115.00410	2.8
117.01945	1.7
120.99657	2.7
125.02425	3.5
129.01938	2.1
135.04520	0.7
139.00375	0.6
143.03543	0.6
150.91447	0.6
157.01399	0.8
160.46404	0.5
161.04472	0.7
165.01968	0.8
167.10724	1.1
172.86917	0.6
173.04463	1.4
175.02437	1.7
185.11845	10.8
189.03992	1.3
191.05508	0.9
199.13315	0.8
205.07095	1.0
231.05080	2.9
249.06168	50.8
250.06534	2.9
267.07230	9.1
268.07486	0.8
273.12320	1.8
291.07193	1.5
309.08267	15.5
310.08279	0.6
333.18958	0.8
409.85205	0.6
417.17667	4.6
418.17636	0.7
435.18466	50.1
436.18683	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	435.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34946	0.9
55.01884	1.3
57.03451	6.4
58.00595	1.4
59.01387	69.2
60.01714	0.9
63.65638	1.0
67.01884	2.5
68.99841	1.7
69.03450	2.0
69.24696	4.5
69.25130	4.5
71.01391	27.7
71.29474	1.1
72.99316	6.8
73.02962	12.3
74.67661	1.0
75.00881	22.2
81.61343	0.9
83.01385	2.4
83.05034	2.6
85.02454	1.5
85.02962	27.9
85.06593	4.9
87.00885	9.4
89.02461	10.1
93.03455	2.5
94.58711	0.9
95.01378	7.1
97.06611	2.2
99.00893	12.0
99.04562	1.1
101.01875	0.9
101.02448	6.1
101.06080	3.1
103.00398	2.4
109.02946	2.0
111.00888	1.8
113.02465	30.1
115.00397	1.7
116.92876	3.3
117.01936	2.9
129.01941	2.1
129.05576	4.4
131.03481	3.6
132.04546	1.2
133.02950	1.2
135.04547	1.9
136.04956	1.1
139.11212	0.9
155.10739	1.2
160.03957	1.1
161.04524	1.2
167.10764	4.1
173.04538	3.7
175.02515	2.2
176.03458	1.1
179.03441	1.7
183.10277	2.3
185.11847	65.2
186.12131	3.6
191.05585	3.4
205.07228	2.3
217.08693	1.5
223.08298	1.6
231.05103	2.3
236.50507	1.1
249.06177	30.2
250.06409	2.1
267.07257	9.2
341.11423	1.1
359.20560	1.5
375.16418	1.8
385.10657	1.1
417.17606	2.6
435.18616	100.0
436.18887	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	435.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	54.8
61.98833	30.7
69.49351	100.0
70.65435	14.8
71.39963	14.9
76.37187	15.8
96.96024	61.5
97.02937	27.5
103.92041	34.9
106.72937	15.2
122.89385	39.2
125.87341	22.8
126.88114	31.6
127.87064	20.2
128.87816	67.9
157.86267	15.9
171.12193	17.2
193.06819	17.4
201.78951	15.6
205.95497	15.6
227.29608	17.0
264.88251	15.2
304.73315	20.4
330.03381	38.4
351.91037	19.1
365.00122	18.4
366.00525	49.4
366.99707	90.0
373.27298	36.6
399.10501	54.5
435.27383	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15453	12.4
59.01390	61.1
61.98828	27.8
64.29906	12.4
68.55829	12.2
69.50278	84.6
70.43462	13.1
73.72858	13.6
85.27540	11.7
96.96007	47.8
97.02964	32.8
103.92010	43.5
110.31564	12.7
122.89406	37.1
125.87363	40.7
126.88145	32.2
127.86996	17.2
128.87814	20.2
132.88084	12.6
157.86282	23.4
159.85956	22.6
176.36179	14.0
330.03104	48.0
331.02136	19.1
366.00323	42.2
366.99844	95.9
373.27557	40.3
391.28290	16.1
399.10562	68.4
435.07336	18.8
435.27261	100.0
436.06848	21.4
436.27606	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	435.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53759	14.3
59.01395	100.0
61.98829	33.1
65.00384	16.3
69.03461	26.6
71.01371	30.3
85.02995	22.6
96.96025	46.5
98.19843	32.6
108.22885	14.8
110.01115	15.6
113.02460	17.9
155.10823	16.4
173.04546	21.7
199.09799	21.5
303.09998	15.4
407.40823	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	435.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03384	0.8
54.59944	0.7
55.56206	0.8
56.54137	0.8
57.03447	1.5
59.01385	68.2
60.01724	1.1
61.98535	1.1
61.98835	15.1
63.18539	0.7
64.13226	0.8
64.23803	0.7
69.33379	3.3
69.33802	3.4
71.01393	6.7
72.99298	1.1
73.02940	1.8
83.01397	1.0
85.02955	3.7
87.00864	1.1
87.04530	2.5
89.02452	2.9
93.03456	1.8
96.96044	1.0
98.20647	1.6
99.00902	1.0
101.02462	4.6
103.04019	2.5
113.02465	4.6
135.04559	2.1
173.04520	2.1
179.03448	0.8
183.13918	8.5
195.13922	6.9
196.21552	0.8
213.14972	100.0
214.15288	7.1
243.85698	0.8
254.76245	0.8
255.16031	0.9
267.39465	0.9
273.20734	3.5
303.18286	1.1
335.26822	0.8
358.89169	0.8
393.25034	1.1
398.05753	0.9
435.26050	15.9
436.18826	0.9
436.25809	0.9
455.20041	0.8
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	Ugonin N
Peak:m/z	Relative Intensity
56.44011	3.7
57.03456	11.5
59.01387	59.3
61.98839	6.7
68.91862	3.3
69.49406	15.1
69.49831	10.1
71.01390	30.3
73.02947	10.7
74.02489	4.6
75.00877	21.2
83.01369	4.6
85.02950	29.6
87.00897	9.7
89.02451	21.7
93.03483	14.1
96.96024	5.6
98.95636	5.2
99.00953	4.9
101.02457	18.5
108.02177	11.1
109.02991	6.2
111.00861	4.6
113.02461	13.1
115.92089	3.6
119.03526	13.4
123.00908	4.1
129.01988	4.6
134.03769	7.4
135.04535	12.7
136.01688	13.3
138.03316	5.1
138.05771	3.5
143.03513	7.3
149.06094	6.3
151.04018	14.8
151.07620	9.9
152.01169	4.3
153.05589	4.1
154.71173	3.5
161.02493	5.7
161.04588	29.9
163.07707	10.0
165.01981	9.4
165.05556	4.1
165.09190	3.8
166.02689	3.8
168.96228	3.5
173.04518	20.5
179.03458	8.0
179.05611	5.9
179.10814	10.2
180.04266	7.0
181.05089	4.7
191.05672	18.5
195.06609	6.4
203.10765	37.0
211.06113	6.2
221.11839	100.0
222.12167	5.0
295.43921	3.4
377.18274	5.5
383.17242	9.0
401.18149	33.5
437.10062	5.8
437.15771	89.4
437.24893	19.3
438.16141	12.7
438.26984	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	437.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98819	32.1
71.27354	58.6
75.58512	26.7
87.04496	29.1
96.95996	33.5
100.55031	30.1
133.29886	25.7
239.08650	28.6
301.52072	29.0
322.55978	27.8
322.90973	31.2
367.36179	27.5
386.32593	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	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53747	18.8
55.50442	19.4
59.01382	31.4
61.98816	39.2
65.80997	16.7
66.53654	20.2
71.25527	30.1
79.95744	21.6
88.36404	17.1
88.98830	25.8
89.59295	18.3
95.38487	19.2
96.96014	100.0
104.60027	17.6
126.85609	20.8
126.88175	19.6
128.87756	25.2
162.33231	20.0
190.51915	19.1
218.15042	18.3
239.55562	21.5
401.11505	28.7
437.08551	22.2
437.29749	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.26163	14.0
61.98843	24.3
69.03474	18.6
70.29034	66.1
71.01424	24.0
78.95991	15.1
79.34550	15.9
89.79047	16.5
96.96018	30.1
98.19959	17.1
144.99155	18.3
225.99463	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	437.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27547	4.5
59.01385	100.0
61.98832	16.2
69.03491	6.3
70.79536	4.7
70.79843	6.7
71.01381	14.0
85.02959	7.4
89.02467	5.8
96.96030	12.4
97.02922	5.6
101.02479	8.4
109.03004	4.5
114.01242	4.6
119.05079	7.9
121.23292	5.9
162.19893	5.0
163.03960	8.0
172.15193	4.5
179.07065	4.7
185.00958	7.4
201.11459	7.2
214.70844	4.1
215.53125	5.3
233.07292	6.0
238.72932	5.6
244.04439	4.5
245.37711	4.9
331.86017	5.4
340.97794	4.6
437.22150	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	437.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01293	18.5
58.96755	18.9
59.01384	50.0
61.98842	20.6
68.31853	18.5
69.03474	28.7
71.26090	26.8
71.26419	19.8
88.98811	68.3
95.05074	18.0
96.96017	47.2
97.02959	48.8
103.92021	24.4
105.01952	77.9
125.09718	53.5
127.87063	16.3
128.87881	18.2
131.03516	17.9
147.08333	17.7
163.11314	21.6
171.10287	100.0
187.14905	28.5
189.12764	22.2
203.14394	26.9
207.10185	33.7
225.11179	23.3
231.13873	73.4
237.14940	22.5
247.13338	23.9
332.02954	31.1
347.15433	80.5
357.24426	22.1
368.00095	31.9
368.99722	18.8
373.23788	37.7
391.24692	23.7
401.09985	24.4
401.23233	63.7
437.24948	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2679
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
51.98156	0.4
54.56245	0.4
60.81958	0.4
78.95918	15.1
83.01365	0.8
96.96024	0.8
98.19867	1.1
106.34670	0.4
106.91354	0.4
110.98546	9.3
112.29090	0.5
122.65092	0.4
132.18906	0.4
136.05266	0.5
151.07648	0.8
152.99579	0.5
160.18294	0.5
167.01167	11.2
185.02222	2.8
229.05772	0.5
269.24893	100.0
270.25217	10.0
270.28091	0.5
437.26855	19.7
437.32767	4.2
438.27182	3.1
438.32764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98836	100.0
71.01389	1.0
71.08843	1.1
78.95912	21.2
79.95763	1.7
89.02469	0.7
96.96034	88.0
96.96983	44.2
108.71050	0.6
117.61816	0.5
118.96628	1.0
217.00305	0.9
247.42744	0.5
259.01538	1.0
322.84290	0.7
439.08841	1.3
448.92117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.5
61.98840	100.0
70.38046	1.5
70.38441	1.2
71.01390	1.5
85.02969	0.7
89.02454	0.6
92.17998	0.6
96.96027	1.9
101.02464	0.8
107.05547	0.6
137.02336	0.6
181.83366	0.6
375.20374	5.4
376.20749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65044	0.4
57.19073	0.4
59.01400	2.8
61.98837	7.4
65.45462	0.4
69.88647	2.5
71.01390	1.8
73.02975	0.6
74.99149	0.4
75.00867	0.7
78.95914	28.9
79.95753	2.5
83.44793	0.5
85.02972	0.9
89.02466	1.3
96.96028	100.0
96.96976	57.3
97.95956	0.7
98.02494	0.7
98.20544	0.7
99.00929	0.5
101.02457	1.3
111.00804	0.4
113.02459	0.7
118.96648	3.1
131.03583	0.5
132.98172	0.9
159.28737	0.5
160.97652	0.8
179.05641	0.9
210.99426	0.6
217.00299	2.4
229.00272	0.8
259.01413	1.4
341.10968	1.1
423.29657	0.6
439.08835	1.8
458.37646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98506	0.1
59.01385	0.8
59.17161	0.1
71.01391	0.5
71.43591	0.3
78.95914	23.8
79.95750	2.0
88.21391	0.1
89.02464	0.4
96.96030	100.0
96.96964	48.9
97.95948	0.4
101.02463	0.2
111.00921	0.1
119.03519	0.2
120.01263	0.6
136.74216	0.1
179.05614	0.4
189.24854	0.2
272.73972	0.1
313.66943	0.2
341.10703	0.7
434.55463	0.2
439.08359	0.8
457.61520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62579	0.3
55.08513	0.2
58.97108	0.2
59.01381	0.4
59.37702	0.3
67.03446	0.3
69.66314	1.7
78.95913	50.5
79.95754	0.5
85.71978	0.3
96.96024	37.4
96.96971	100.0
98.19962	0.4
274.00482	0.3
341.10876	0.6
353.52322	0.3
392.13766	0.3
439.08694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03450	1.6
57.39964	0.7
58.00597	0.9
59.01384	13.7
61.98823	1.1
67.01902	1.3
69.03497	0.9
71.01392	9.3
71.56179	0.9
72.99330	1.3
73.02947	3.3
75.00875	12.3
78.94051	0.7
79.21062	0.7
81.03448	1.7
83.01386	1.0
83.05032	0.9
83.35114	0.8
85.02959	10.6
87.00890	2.6
89.02464	6.5
90.02805	0.8
93.03454	7.2
93.47598	0.6
96.96006	4.0
99.00924	1.4
99.04513	1.0
101.02442	5.6
104.20647	0.9
105.03458	1.5
109.02959	0.8
111.04517	2.7
113.02455	2.9
117.03481	2.3
119.03545	1.3
119.05004	1.7
121.02950	1.4
122.03764	1.1
123.04643	0.8
125.02438	1.1
127.04002	2.0
128.92577	0.7
129.01997	1.3
129.60455	0.7
133.02956	3.9
135.04477	0.8
137.02463	2.8
143.03461	1.3
145.02977	2.5
147.04535	2.9
149.02434	2.2
149.04573	1.8
150.03249	10.7
151.23814	0.9
155.03496	1.6
158.03627	0.9
159.04521	9.4
160.01627	5.7
161.02454	34.8
161.04605	2.2
161.06058	1.4
162.03307	3.6
163.04024	27.7
164.04469	1.4
165.01959	4.6
165.05591	11.6
173.02379	1.0
173.04544	8.5
174.03247	2.8
174.04814	0.8
175.04027	7.3
177.05554	3.7
179.03494	0.8
179.05605	1.3
180.04263	2.8
188.01231	1.0
189.01944	100.0
190.02277	6.0
191.05629	63.6
192.05963	1.5
193.05128	1.0
195.06651	17.5
196.07024	1.1
201.01881	0.9
203.03400	0.9
205.01297	1.1
205.05066	1.6
206.02127	1.1
214.99905	3.6
221.04561	24.3
222.04819	1.7
233.00974	5.3
235.06044	4.6
247.02490	13.9
247.11911	4.8
248.16331	0.7
265.03534	11.4
266.03964	1.2
379.16074	5.1
401.14423	4.3
403.15384	0.9
403.23199	1.0
414.29559	0.8
421.08008	2.0
439.08380	7.3
439.16965	1.5
439.25558	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34087	0.5
59.01388	22.4
61.98825	2.8
69.35191	4.1
71.01374	1.6
73.02975	0.7
75.00881	0.6
78.26328	0.7
78.95934	1.4
79.95730	0.7
85.02966	1.1
88.70731	0.7
89.02475	1.0
93.03469	66.1
94.03800	1.8
96.74937	0.7
96.95486	0.7
96.96004	4.8
97.06602	1.0
101.02468	0.9
105.41980	0.6
119.05072	1.2
135.04590	0.7
137.02463	100.0
138.02824	3.2
169.96434	0.6
172.80405	0.6
173.04561	0.8
191.05585	1.1
279.06482	1.0
297.52505	0.6
343.11780	0.6
371.46149	0.6
439.14090	3.3
439.23419	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	439.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24848	0.6
56.99273	0.6
59.01385	5.9
61.98831	2.2
64.58212	0.5
66.76175	0.6
70.88071	1.3
71.01382	2.6
72.99312	1.2
73.02961	1.9
75.00881	24.7
83.05050	0.8
85.02970	2.0
85.77869	0.6
87.04544	0.8
89.02458	2.1
93.03452	3.3
96.96013	4.0
99.00970	0.7
101.02458	2.0
109.02969	3.4
113.02452	1.2
121.02962	3.0
122.03745	9.0
125.02451	0.7
133.03006	1.2
135.04541	2.3
137.02466	5.5
137.06097	1.0
138.03114	0.6
149.02454	22.6
150.03239	59.5
151.03792	2.1
161.02483	1.0
164.04785	5.8
165.01947	32.9
165.05582	58.2
166.02385	1.6
166.05952	3.6
173.04594	2.5
176.01773	0.8
179.03497	1.2
180.02698	1.3
180.04295	24.7
181.04713	1.4
189.01961	2.3
191.05698	4.0
195.06639	100.0
196.06955	5.3
208.54593	0.5
233.06763	1.9
243.08681	3.1
281.38354	0.6
301.07251	2.2
302.07465	0.7
316.09482	1.5
331.11920	8.5
332.12094	1.0
379.15643	0.8
391.14014	15.7
392.14365	2.0
401.17908	0.6
403.12646	0.9
403.23447	3.3
407.60477	0.6
439.16904	5.0
439.25485	27.0
440.18042	0.6
440.25818	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43504	1.1
57.03453	94.1
57.83216	1.0
59.01385	100.0
61.98835	8.1
71.01392	16.1
73.02939	4.7
78.85989	1.1
79.95741	1.8
80.96490	1.1
81.03462	3.5
83.01376	2.1
85.02959	8.9
89.02466	2.6
93.03455	4.8
96.96043	8.9
98.19843	2.1
99.00867	3.2
99.04530	90.0
100.04868	1.9
101.02452	22.3
108.02060	1.2
109.02954	1.9
113.02483	5.8
116.05054	10.3
121.02991	2.4
125.02460	35.5
131.04994	1.5
133.06644	1.4
134.03693	1.2
135.04503	2.6
137.02434	2.2
143.03503	1.9
145.01559	1.1
147.79160	1.1
148.93367	1.1
156.78873	1.1
161.02469	2.6
161.04623	9.8
173.04509	5.4
178.02814	1.3
191.05583	3.2
236.07198	10.8
242.33740	1.2
402.99210	1.1
408.76260	1.2
432.57773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01109	3.1
59.01386	38.3
61.98822	2.5
66.66048	2.0
69.19489	18.1
69.19894	4.2
71.01384	39.1
72.99326	6.2
73.02944	13.2
75.00880	100.0
78.15384	1.9
83.01399	4.1
85.02961	18.0
85.06593	2.6
87.00887	5.7
89.02435	14.0
95.01404	3.0
96.96041	17.0
98.19865	4.6
99.00875	4.2
101.02448	25.1
109.02955	5.3
112.93711	2.2
113.02437	15.3
115.07672	2.8
119.03520	3.2
131.07178	3.0
134.03723	3.6
137.02414	7.6
150.03186	4.9
151.07803	2.6
159.02948	5.1
161.02483	3.8
161.04567	23.1
163.03955	3.7
165.01897	4.6
165.05544	3.9
173.04503	6.1
176.01735	5.3
178.77141	2.1
180.04341	2.8
189.01952	5.6
191.05626	18.7
195.06622	8.3
203.96286	2.7
221.04358	3.1
221.11794	9.9
247.11884	48.7
278.10483	3.1
373.18723	3.9
379.16025	40.1
380.16489	3.8
397.16965	2.7
403.19098	2.9
403.23355	7.1
439.17078	35.8
439.25424	97.7
440.17947	4.4
440.25775	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	439.1878
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
54.32401	0.7
59.01386	10.0
61.98824	2.5
64.88979	0.5
70.68392	1.8
71.01390	1.8
76.83502	0.6
78.27007	0.6
79.95753	0.8
80.66143	0.7
83.01397	0.6
85.02957	1.0
93.03456	1.1
96.96032	5.3
105.03486	2.1
108.02161	1.3
113.02447	0.8
119.05022	2.1
125.02480	0.9
132.02167	0.8
133.02977	5.4
134.03758	100.0
135.04556	42.9
136.04866	1.7
137.02449	0.8
145.02948	1.3
147.04538	1.2
148.05298	2.2
149.06099	73.9
150.03294	0.8
150.06441	2.8
160.01666	2.5
161.02448	2.3
161.06113	1.5
173.04579	1.2
175.02710	1.2
175.04042	4.0
176.03612	2.2
190.05148	3.0
191.05739	0.7
204.06674	5.1
211.13371	1.1
218.08270	0.7
230.08348	1.7
231.09082	1.1
235.93816	0.6
247.10912	10.3
248.11525	4.0
256.08618	0.6
261.12411	1.2
263.13986	1.6
273.08789	6.8
274.09613	20.6
275.10074	3.3
289.11969	62.4
290.12347	5.4
308.13354	1.3
330.32300	0.7
379.80194	0.6
395.16544	0.9
423.15604	1.4
424.16556	1.3
439.18893	31.9
439.62567	1.0
440.19067	5.2
444.28314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98129	2.4
59.01386	100.0
70.89137	6.3
71.01395	10.2
73.02956	6.4
82.33569	2.3
85.02948	4.4
88.98823	10.2
89.02465	4.3
96.63496	2.7
96.96021	8.6
98.20579	2.1
101.02463	6.7
113.02471	7.2
133.03015	2.9
147.04497	2.5
162.43477	2.1
163.04010	4.1
180.14534	2.9
205.63870	2.4
215.64780	2.1
233.11714	4.1
236.28897	2.6
253.08646	4.4
285.17661	2.4
313.89658	2.7
439.13919	10.4
439.23560	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	439.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98129	2.4
59.01386	100.0
70.89137	6.3
71.01395	10.2
73.02956	6.4
82.33569	2.3
85.02948	4.4
88.98823	10.2
89.02465	4.3
96.63496	2.7
96.96021	8.6
98.20579	2.1
101.02463	6.7
113.02471	7.2
133.03015	2.9
147.04497	2.5
162.43477	2.1
163.04010	4.1
180.14534	2.9
205.63870	2.4
215.64780	2.1
233.11714	4.1
236.28897	2.6
253.08646	4.4
285.17661	2.4
313.89658	2.7
439.13919	10.4
439.23560	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	439.3433
Annotation	Passifloricin A
Peak:m/z	Relative Intensity
53.80452	1.1
57.25517	1.0
58.42142	1.1
61.03660	1.0
62.20570	1.0
63.06643	1.0
71.05035	1.0
71.55224	1.9
71.55621	1.4
99.00883	3.4
101.10551	1.1
111.22775	1.2
119.15968	1.0
125.06030	1.1
172.25162	1.1
185.57094	1.1
313.21701	1.2
321.31619	3.3
359.33017	1.9
377.34302	9.6
395.35327	12.3
396.35568	1.7
403.32153	18.5
404.32495	1.9
421.33121	21.0
422.33710	2.3
439.34271	100.0
440.34543	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	441.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69822	5.0
58.99603	4.4
59.01385	80.2
61.98836	7.5
71.01393	52.9
71.55447	6.6
72.99300	4.8
73.02943	9.6
73.75436	5.0
78.95903	27.8
85.02932	11.4
87.00888	6.8
89.02460	71.4
90.02774	5.3
96.96033	100.0
96.96964	43.1
98.02537	6.1
98.95592	63.6
98.96429	10.5
98.97397	12.1
99.00867	11.6
101.02454	36.9
113.02447	21.4
117.05518	6.0
119.03519	31.8
121.02955	15.2
131.03549	5.6
137.02419	5.8
143.03481	9.0
147.06604	8.5
149.04567	7.9
160.04123	8.1
161.04587	11.8
174.35527	5.7
177.01880	19.1
179.05641	33.8
191.05661	10.3
192.04300	10.0
195.06552	7.3
207.06691	5.5
225.07872	4.6
256.63425	4.7
298.72473	4.6
387.13016	12.9
400.26498	4.6
441.16318	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	70.5
69.59771	51.6
71.01393	48.6
79.67077	6.9
85.02945	18.5
87.00883	11.1
89.02458	100.0
96.96030	49.1
96.96998	19.1
98.19905	14.7
98.95605	55.9
98.96402	11.0
101.02441	23.0
113.02468	30.4
113.48160	8.2
119.03491	26.8
121.02928	10.7
143.03534	11.0
149.04631	10.1
173.04587	9.4
177.01967	46.9
179.05623	46.4
187.11702	8.6
192.04320	20.9
195.06659	12.7
201.60780	8.8
207.06651	16.4
225.07614	14.8
252.46388	7.4
285.10443	9.1
387.12961	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22319	1.2
50.40398	1.2
55.01883	1.4
57.03457	3.2
58.00597	3.7
58.16842	1.2
59.01388	100.0
61.98826	1.7
63.80614	1.1
64.60327	1.1
69.03468	1.4
69.51183	1.2
69.76692	6.9
71.01390	58.8
72.99311	6.1
73.02955	3.5
80.98437	1.1
81.03509	1.3
83.01414	4.9
83.05058	1.4
85.02956	19.0
85.03398	1.6
87.00903	5.0
89.02457	53.3
90.01394	1.2
93.03466	8.2
95.01410	5.8
96.96027	2.0
97.02978	2.3
99.00916	3.5
99.04617	1.5
99.97425	1.3
101.02454	38.2
102.02770	1.4
107.05044	2.4
109.02985	10.0
111.00917	1.9
111.04550	2.3
113.02467	23.3
119.03516	27.2
122.03805	1.4
124.05334	2.8
125.87815	1.1
131.03531	2.4
132.02249	1.4
133.02977	5.1
133.06593	11.4
134.03809	7.4
135.04543	35.6
136.04973	2.3
137.02455	2.7
137.06122	2.3
139.07671	15.8
143.03514	4.1
149.04594	2.2
149.06110	4.3
152.90981	1.3
153.01910	1.3
155.03546	2.4
160.01682	4.3
161.02480	10.1
161.04553	10.4
161.05815	1.9
164.76788	1.2
169.08693	2.3
173.04558	18.3
174.04945	1.2
175.04030	4.1
177.05624	1.3
179.03529	14.5
179.05627	5.2
191.05615	17.9
191.07184	2.4
192.99655	2.8
193.05084	4.0
204.11513	2.0
205.05139	2.4
205.12416	3.6
206.99344	6.0
217.12379	4.8
222.01765	6.0
235.06046	1.8
235.13466	4.3
237.04085	3.1
242.05879	1.9
243.06650	2.8
265.07144	1.3
293.10168	1.3
330.13217	27.0
331.13904	15.5
332.14774	1.3
335.07803	1.2
349.08182	1.3
353.08966	1.9
360.09772	1.6
362.11987	1.6
379.17813	1.6
397.18921	4.7
441.17795	77.6
442.18011	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	441.1901
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
50.14359	6.5
51.03124	5.8
59.01373	33.5
61.98835	9.6
69.46082	52.7
70.57444	6.5
71.01393	8.7
80.71317	6.4
85.02942	12.8
89.02484	7.7
93.03460	7.3
96.96021	25.8
98.19907	14.8
101.02528	7.5
114.29245	7.2
117.05580	19.1
121.02962	35.8
173.04568	7.8
177.41858	8.1
177.59764	8.0
191.05624	13.3
201.05606	7.8
283.38651	6.9
289.60196	8.4
441.19046	100.0
442.19238	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	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84220	1.5
59.01386	25.7
61.98830	3.8
65.98216	1.6
66.19955	1.7
68.25989	1.4
71.01386	9.7
71.06580	3.1
72.99308	2.3
73.02950	5.8
75.00871	5.3
83.01389	1.9
85.02969	6.4
87.00904	1.5
89.02460	6.4
93.03458	8.4
96.96024	11.2
99.00909	1.9
101.02441	7.6
109.02953	3.2
113.02448	2.7
119.03548	2.4
121.02974	100.0
122.03291	3.7
125.02380	2.2
135.04549	4.3
137.02480	6.9
149.65274	1.5
156.05771	2.0
160.04051	2.3
173.04591	9.1
179.03577	2.4
191.05646	10.5
201.05594	15.6
219.06615	3.8
309.15646	1.7
403.12421	5.3
441.19531	11.3
442.13391	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	441.1897
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
59.01389	46.1
62.60161	5.1
71.01382	20.1
71.02540	12.8
72.99305	9.4
73.02967	7.2
75.00874	7.1
77.25881	5.6
83.08735	5.6
83.96540	5.7
85.02950	39.5
87.39991	6.9
88.98805	11.6
89.02467	13.7
93.03474	29.3
96.96016	10.5
100.73171	6.4
101.02477	14.1
109.02945	7.9
111.00916	7.5
111.04557	6.9
113.02443	10.7
119.03512	6.9
121.02963	13.6
124.97130	5.4
125.02454	13.6
133.02975	13.3
134.03638	7.0
135.04521	14.5
137.02498	6.5
150.03241	8.8
155.95288	6.3
163.04056	11.0
173.04539	47.0
175.04015	7.0
176.03876	7.1
179.03539	15.7
183.30193	6.5
191.05644	43.5
193.04993	9.9
195.06664	9.9
197.07201	7.9
229.01447	12.7
242.61629	6.2
255.20558	6.0
271.08447	10.1
279.05188	11.2
338.58395	8.3
434.48285	6.0
441.09888	11.1
441.14099	6.8
441.19223	100.0
441.25491	9.5
442.13223	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	441.2034
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
50.58657	0.7
58.73053	0.7
65.99844	1.3
70.79034	1.7
85.02946	1.4
87.00883	2.9
96.96004	1.2
101.06084	1.9
196.11243	1.9
238.15936	1.6
254.15520	10.1
266.15585	0.8
278.11844	1.9
280.17044	0.7
294.14975	4.5
333.17444	2.5
334.17709	0.8
338.13605	0.8
346.35986	0.7
348.19705	3.2
350.17822	1.0
381.20923	1.6
384.13370	4.1
441.20328	100.0
442.20612	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	441.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01387	100.0
60.99306	1.0
61.98828	2.6
69.51127	2.6
69.51527	6.1
71.01387	27.4
71.73620	1.0
72.99308	7.1
73.02964	2.0
73.79433	1.0
81.89308	1.0
83.05025	1.1
83.20008	0.9
85.02953	2.2
88.98839	1.6
89.02458	2.9
93.03471	1.2
95.01357	1.0
96.00932	13.8
96.96010	1.7
97.35338	1.0
101.02451	4.0
111.00917	1.9
111.08204	5.4
113.02467	1.9
115.00394	15.0
115.08738	1.6
118.09149	1.1
119.05055	1.2
125.09722	10.5
127.11314	2.3
133.01453	16.4
137.09746	3.4
139.11340	1.3
141.09242	1.9
151.11287	1.9
153.09195	1.7
159.73549	1.1
161.04532	2.0
171.10249	6.7
193.08395	1.1
195.10281	1.4
201.11330	26.2
213.11340	18.1
215.12860	1.3
227.12898	1.5
251.11337	3.2
289.18216	7.3
293.12460	2.8
307.19147	20.1
308.19437	2.3
325.20215	63.5
326.20819	5.1
344.19849	2.8
423.20081	1.1
441.13614	1.0
441.21039	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	441.2497
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.80671	0.3
55.01876	0.7
59.01384	100.0
60.01719	0.8
69.64639	0.4
71.01389	5.8
71.55955	0.5
71.56326	0.5
72.99318	0.5
73.02962	1.7
83.01401	0.9
85.02973	2.6
86.00094	0.4
87.00901	0.5
88.98820	1.0
89.02421	0.5
99.00902	0.6
101.02447	3.9
111.00940	0.6
113.02461	2.0
137.02519	0.5
161.04608	1.7
209.11926	0.6
215.12689	0.4
219.82162	0.4
245.74910	0.4
307.19229	1.5
325.20276	1.3
381.23074	0.6
399.23871	5.9
399.28738	0.5
400.24271	0.5
441.28894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94325	0.5
59.01387	100.0
60.01723	0.6
69.49982	1.4
69.50394	3.5
86.24743	0.6
112.40967	0.5
112.87148	0.6
119.38805	0.5
201.11400	0.5
207.94743	0.5
209.11757	0.9
281.22437	0.7
289.18048	3.1
307.18967	3.1
360.76187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01721	1.1
61.98846	1.1
69.56689	3.2
83.05054	0.6
92.69268	0.5
92.92803	0.5
96.96027	1.0
118.76832	0.6
158.77756	0.5
163.11382	0.5
191.48262	0.6
209.11868	1.3
217.00357	1.1
230.14105	1.9
245.19247	0.7
273.18799	0.6
289.18301	2.3
293.21188	0.6
307.19214	3.9
344.94604	0.6
441.26556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46271	2.4
52.25373	1.9
53.35139	1.9
59.01384	100.0
59.30045	1.9
62.49678	2.1
71.55846	3.3
73.02963	2.1
84.61449	2.2
93.70172	1.7
111.10812	2.0
120.46600	2.0
164.51775	1.8
209.11819	2.3
217.00301	4.0
301.21704	5.5
351.81912	2.0
359.01392	2.3
369.24286	3.9
441.26398	6.7
442.25986	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	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81002	1.3
55.83561	1.3
59.01387	100.0
61.98820	5.7
65.81719	1.3
70.07378	4.9
71.01385	3.1
73.12255	1.2
73.18954	1.3
73.78175	1.4
78.89760	1.3
80.70979	1.3
80.81557	1.5
91.03986	1.7
92.39862	1.5
96.95995	2.6
99.92587	5.3
109.06573	4.0
111.00906	1.3
111.04490	2.2
115.92116	1.9
116.92853	5.8
127.99993	1.6
130.20711	1.3
173.04448	1.6
209.12039	2.1
211.13451	1.4
280.79492	1.6
284.64688	1.6
289.18100	51.0
290.18405	4.8
307.19150	8.1
381.22891	1.5
441.28925	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98834	4.5
69.18348	8.7
69.18771	5.0
77.33952	1.3
79.95714	2.3
92.92837	2.5
96.96030	2.2
108.02164	1.3
183.28183	1.3
289.18213	4.3
295.22769	2.5
307.19144	4.7
352.56055	1.3
441.26642	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	441.25
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	0.9
63.84045	0.3
68.06005	0.4
71.01387	0.8
71.26999	0.6
78.95924	1.1
89.02419	0.3
98.90446	0.3
115.47043	0.3
116.47134	0.3
134.04747	1.8
301.10938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	29.7
65.16284	1.8
70.59738	5.7
90.83149	2.1
96.96007	2.8
98.20518	2.2
100.08108	2.1
100.76423	1.9
103.43023	2.3
177.91692	2.0
179.50316	1.8
254.38794	2.0
361.34750	5.0
379.35806	26.3
380.36313	3.0
381.28824	3.4
381.33768	71.7
382.34198	6.4
423.34763	9.6
441.35895	100.0
442.36325	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	441.374
Annotation	Cerin
Peak:m/z	Relative Intensity
61.65079	0.4
68.51032	0.3
70.19157	0.3
71.41595	0.6
82.25963	0.2
112.22028	0.3
248.38611	0.3
347.87491	0.3
441.37381	100.0
442.37741	16.8
442.43927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	2.6
59.01387	39.0
60.99309	1.8
67.80139	1.5
69.67923	8.6
71.01395	44.2
73.02963	9.1
75.00860	1.6
81.06788	1.2
83.01384	2.5
85.02970	12.9
87.00871	3.8
88.98812	20.1
89.01929	3.0
89.02457	43.7
92.04491	1.4
92.05063	6.4
93.03475	3.7
93.83858	1.3
99.00877	1.3
101.02477	14.5
101.15823	1.4
113.02473	10.9
116.05089	2.3
118.02998	4.1
119.03534	2.2
120.04541	3.1
131.03535	16.5
132.04601	12.9
134.03735	2.1
135.04543	3.0
144.04570	16.7
146.02492	38.4
147.03285	36.5
148.04059	8.5
149.04568	20.7
158.06133	4.3
160.04056	88.3
161.04405	6.0
163.03979	1.7
168.04465	1.6
170.06088	1.7
172.04060	16.7
173.04543	4.8
174.05626	11.1
179.02225	5.1
184.04100	3.3
185.04813	3.6
186.05626	10.3
191.05620	28.4
202.05177	10.7
214.05077	14.1
219.21704	1.3
232.06131	1.5
253.24057	1.9
310.09366	4.0
353.09018	1.7
442.13556	100.0
443.13919	12.5
443.19400	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	442.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03451	1.4
57.44992	0.8
59.01388	43.6
60.99308	4.0
61.98830	4.6
67.01900	2.0
69.03459	1.4
70.28245	3.2
71.01392	46.1
72.01760	1.5
72.99309	3.0
73.02955	7.5
74.99106	3.0
75.00869	2.1
83.01395	3.5
83.05034	1.1
85.02956	16.6
86.03280	1.0
87.00890	6.2
88.98814	23.2
89.02457	38.7
92.05071	3.9
93.03476	9.1
95.01385	1.5
96.96012	2.3
99.00907	2.0
101.02457	18.7
108.02203	1.2
109.02953	3.5
111.00938	1.1
111.04538	3.4
113.02471	11.8
116.05067	2.5
118.03003	4.2
119.03503	4.3
119.05055	1.5
120.04552	3.9
121.03001	1.8
125.02457	2.0
127.04024	1.1
129.01952	1.5
131.03535	16.5
132.04591	11.9
134.03767	5.3
135.04546	15.3
136.99144	2.4
137.02463	3.5
144.04562	12.3
146.02504	31.8
146.06166	2.6
147.03291	31.4
147.04471	2.1
148.04066	8.1
149.04568	20.6
149.05934	1.4
150.04930	1.1
152.01064	1.4
155.03526	2.2
158.06107	5.5
160.04059	79.5
161.02443	2.0
161.04414	3.9
163.03996	1.9
170.02559	1.1
170.06033	1.1
171.03160	1.3
172.04059	13.7
173.04561	23.2
174.05673	6.0
175.03949	1.6
179.02194	2.9
179.03545	11.6
181.03294	1.1
184.04050	1.9
185.04817	3.0
186.05585	7.6
187.20157	1.0
189.12967	1.7
190.05212	1.2
191.01970	1.3
191.05624	35.0
193.05077	3.5
202.05093	8.7
209.02998	1.8
214.05107	12.9
228.06566	1.2
229.01474	1.5
232.06171	2.1
235.05792	1.6
262.07309	2.2
275.59357	1.0
310.09390	2.4
312.89587	1.0
353.08740	11.0
355.09888	1.0
383.07742	1.3
433.47986	1.0
442.13565	100.0
443.13586	10.1
443.19312	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	443.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60648	2.4
59.01376	9.1
60.99311	23.5
67.01897	2.4
71.01381	6.8
72.10760	2.1
85.02966	8.8
88.98819	100.0
93.03472	20.2
109.02956	2.3
111.04511	4.5
126.16158	1.9
133.44002	2.2
135.04549	53.3
136.04825	3.2
137.02457	4.6
149.06171	2.5
155.03528	6.0
161.02419	3.3
173.04567	79.0
174.04904	4.9
179.03537	49.5
180.03877	3.4
191.05643	49.8
197.65639	2.3
210.12071	2.3
230.04730	2.6
243.06573	2.8
353.08762	51.1
354.08914	4.1
384.71240	2.6
443.10654	3.3
443.19437	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	443.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33455	0.9
55.01863	1.1
57.03429	3.5
58.00592	1.2
59.01384	37.6
60.01709	0.9
61.32207	1.1
61.98799	3.0
71.01392	21.8
71.56091	1.1
72.99292	2.0
73.02918	3.7
75.00836	1.2
83.01354	1.7
83.04983	1.0
85.02964	10.8
87.00889	42.4
89.02455	16.8
93.03423	3.7
99.00844	1.5
99.04548	1.1
101.02454	13.5
105.01893	3.3
108.02131	1.8
109.02939	2.2
113.02464	9.0
117.03489	11.9
119.03500	6.6
119.05020	5.2
121.02956	1.3
125.02367	1.4
129.01918	1.2
132.02142	2.1
133.02969	7.8
134.03763	47.0
135.04565	13.4
136.04781	1.2
137.02382	4.6
145.01895	1.7
145.02960	21.2
147.04543	7.8
148.05304	4.9
149.06088	8.3
151.03886	1.8
151.07570	1.5
152.01088	2.1
158.03677	2.1
160.01685	12.0
161.02464	11.8
161.06055	1.7
163.04045	6.0
163.07588	3.8
164.04756	1.6
173.04459	7.1
173.05989	2.6
174.03181	1.9
175.00282	1.1
175.04016	19.3
176.04819	22.2
177.01804	4.1
177.05026	1.3
178.02568	3.8
179.03510	8.0
190.02701	2.6
191.05507	7.9
191.07043	27.6
192.04156	2.7
192.07425	1.9
193.05066	38.5
194.05347	2.2
195.37314	0.9
199.71217	0.9
203.10620	3.6
205.04936	3.6
207.06633	9.7
220.03735	6.0
221.04297	1.7
221.11835	6.8
235.06123	46.3
236.06400	1.8
242.05804	1.2
243.06476	1.6
262.64877	0.9
265.07181	8.4
267.07233	100.0
268.07422	4.7
281.06476	3.0
284.54654	1.2
291.85889	1.0
295.08267	8.3
361.37070	1.3
374.76328	1.2
443.11465	60.4
444.11600	7.0
444.25470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.135
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
59.01384	9.0
59.86163	0.7
61.98832	1.2
69.03466	2.1
70.85613	1.5
71.01379	1.9
81.63390	0.8
88.80067	0.6
89.04000	2.5
93.03448	0.8
96.96043	2.2
105.03483	2.0
106.04272	0.8
109.06685	1.0
113.02459	1.2
117.03458	6.5
119.05073	3.5
121.02984	1.7
132.02197	6.8
133.02986	9.2
134.03757	100.0
135.04311	4.1
136.01672	1.3
137.02454	3.5
139.03949	0.9
145.02985	0.7
147.04514	3.6
148.05304	1.1
149.02477	0.8
149.06114	9.4
160.01677	24.0
161.02513	3.8
161.06114	2.4
163.04089	1.0
175.04001	16.0
176.04333	1.4
177.01982	1.2
178.02727	1.7
179.03513	1.3
190.06302	1.0
191.03534	0.8
192.04272	0.9
193.05075	63.7
194.05392	3.2
207.06595	6.3
207.10309	0.8
234.05321	2.4
235.06157	5.1
249.07678	7.3
252.06432	2.0
267.08859	2.0
288.12201	0.8
363.11649	2.9
428.11194	2.0
431.88474	0.7
443.13495	66.4
444.13791	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	443.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	0.4
52.96219	0.4
55.01886	1.0
57.03449	0.8
58.00599	0.8
59.01386	10.0
61.98834	0.7
65.00330	0.6
68.76720	0.5
69.03482	0.5
71.01389	8.5
71.32951	0.9
73.02953	4.2
75.00854	0.8
83.01393	1.3
83.62134	0.4
85.02953	5.3
87.00893	1.3
89.02464	1.3
91.01913	1.6
93.03436	2.9
93.41842	0.5
95.01390	0.5
99.00898	1.1
101.02454	6.9
105.03487	0.5
107.05005	0.6
108.02216	0.8
111.00903	2.0
113.02457	3.1
119.01397	6.3
119.03593	0.5
121.02979	3.5
128.03609	1.0
132.02264	0.8
134.03772	3.2
135.04568	4.2
137.02443	1.4
147.00880	7.2
147.04601	0.6
149.02455	10.8
150.03177	0.8
150.80695	0.5
151.04073	0.8
152.01202	2.3
159.02924	0.5
160.01671	3.8
161.02460	1.2
161.04590	1.3
163.04025	3.8
164.04826	9.2
165.01942	1.1
165.05460	0.7
169.05034	0.7
173.04527	1.3
175.00380	37.8
175.03967	3.3
176.00717	2.4
177.01904	0.6
179.03461	1.0
179.07111	2.5
179.99661	0.5
189.01839	0.9
190.02731	90.8
191.03122	4.8
191.05588	1.3
192.04324	0.5
193.05060	0.7
205.05066	100.0
206.05394	5.8
207.03070	1.2
208.03737	2.0
209.04568	2.0
223.06128	17.6
224.06493	1.3
237.09683	0.8
251.05658	0.9
413.10880	2.8
428.13135	4.5
443.15582	90.8
444.15948	9.9
444.25861	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	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67681	0.5
55.01907	0.6
57.03454	0.9
59.01389	10.0
67.01920	0.7
70.76995	1.2
71.01398	8.8
71.85908	0.5
72.99307	0.7
73.02966	3.8
75.00880	0.8
83.01395	1.8
85.02966	6.9
87.00906	0.9
89.02467	1.7
91.01920	1.9
93.03459	2.7
94.87657	0.5
98.19949	0.6
99.00876	0.9
101.02450	8.0
109.02973	0.9
110.36848	0.5
111.00901	2.2
113.02460	3.4
114.79761	0.5
119.01411	6.1
119.03486	0.5
121.02964	4.5
124.39556	0.5
124.57757	0.6
128.03558	1.5
134.03752	1.8
135.04538	5.5
137.02469	1.3
147.00885	9.3
149.02443	10.7
150.03220	1.6
150.05122	0.6
151.04045	0.6
152.01167	2.1
160.01653	1.0
161.02470	1.4
161.04570	0.8
162.03296	0.7
163.03970	3.6
164.04820	8.6
165.01974	1.9
165.05531	1.2
171.07791	0.7
173.01125	0.5
173.04602	2.1
174.03134	0.6
175.00380	36.3
175.04002	1.5
176.00818	2.0
177.01875	1.1
179.03531	1.7
179.05739	0.6
179.07170	1.8
189.01935	1.3
190.02736	92.4
191.03119	5.2
191.05598	2.4
192.04396	0.6
193.05145	0.7
205.05072	100.0
206.05426	5.3
207.03029	1.1
208.03824	1.0
209.04562	2.1
223.06136	14.9
224.06474	0.7
270.39642	0.5
385.22116	0.6
407.19989	0.5
413.10938	2.1
428.13275	4.7
443.15588	91.2
444.15967	10.0
444.25638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07719	0.6
55.01883	0.9
57.03455	2.2
59.01387	100.0
60.01723	1.8
67.01917	0.8
69.31762	5.8
71.01390	9.7
72.99323	1.2
73.02956	3.6
75.00883	4.3
83.01418	2.4
85.02965	13.1
87.00899	8.0
89.02483	2.5
93.03494	2.8
95.01416	1.0
97.02961	0.9
99.00909	1.9
99.04537	0.7
101.02457	7.2
107.05076	1.4
108.02211	0.9
111.00903	1.8
113.02456	5.9
114.24355	0.6
121.03009	0.7
121.87551	0.6
123.04554	3.2
125.02464	2.1
125.06129	2.3
128.03569	1.1
129.01964	0.9
134.03694	1.1
135.04565	3.6
137.02487	2.7
139.04068	0.9
141.05695	0.9
143.03566	1.2
145.03004	1.4
149.02467	1.6
149.71324	0.6
153.05624	0.9
159.03003	1.0
160.01698	1.0
161.02458	1.7
161.04553	3.6
163.04016	1.0
164.04787	1.0
167.03490	0.6
169.05057	0.8
173.04572	3.7
175.00374	0.8
179.03552	0.9
190.02774	1.9
191.03563	0.8
191.05658	2.6
193.05144	1.0
205.05119	2.2
223.06117	0.8
237.06187	5.5
241.11786	0.6
255.99533	0.7
269.10196	3.6
309.09845	2.9
383.13586	9.4
384.14261	0.8
401.14542	8.3
443.10825	3.1
444.27118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.9
65.43986	1.1
71.01398	1.6
71.56275	1.6
78.95914	10.8
94.46406	1.1
96.96011	5.3
110.98533	10.0
134.94397	1.1
137.31625	1.2
167.01147	3.2
185.02226	14.9
191.57655	1.1
230.65283	1.2
231.21237	5.7
249.66846	1.3
257.14291	1.3
264.07520	1.3
275.20172	100.0
276.20581	8.8
399.28922	1.8
443.21927	4.4
443.27139	3.0
443.31790	8.0
443.37567	2.6
444.31726	1.3
458.92993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88917	0.9
53.89236	1.0
56.69371	0.9
58.59967	0.8
59.01385	100.0
59.16903	0.9
59.95447	0.8
60.01728	1.7
61.98823	1.4
62.05447	1.0
70.96098	2.1
70.96421	1.0
87.06254	1.0
91.04032	1.1
96.96031	2.2
128.07944	0.9
165.12766	1.3
180.80266	1.0
212.45230	1.0
234.52727	1.1
291.16638	1.7
291.19699	21.4
292.20062	1.0
302.27301	0.9
309.20749	26.6
310.21158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01719	1.0
62.34319	0.8
69.98353	1.6
69.98759	2.7
91.04053	1.5
96.96011	2.3
111.08115	1.1
144.88948	0.7
150.40211	0.7
158.22308	0.8
161.47859	0.8
197.11833	1.3
198.09528	0.8
234.94823	1.1
241.74359	0.8
291.19675	2.8
295.40976	0.9
309.20740	7.4
448.73352	1.0
465.95184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10833	0.7
54.70707	0.7
55.72742	0.8
55.91388	0.7
59.01386	100.0
71.25586	1.1
73.97956	0.9
91.04010	2.6
96.96027	2.1
100.19796	0.7
111.08112	1.2
121.02982	0.9
151.17012	0.8
170.48560	1.0
197.11826	5.6
211.13390	1.0
272.97037	0.8
291.19690	4.3
309.20749	9.3
310.21078	1.1
443.28607	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	443.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.20417	1.1
60.01714	1.4
61.98829	2.7
70.45300	1.3
71.48235	2.3
91.73094	1.1
96.01581	1.4
96.96001	1.5
101.04657	1.1
119.20673	1.4
119.96671	1.2
120.26112	1.3
309.20776	3.4
371.26126	2.1
399.32709	3.0
443.32306	26.4
444.32471	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	443.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07786	1.2
56.78751	1.1
59.01385	100.0
60.01695	1.3
61.98829	2.0
71.55508	1.1
71.55896	1.2
74.31651	1.2
89.48059	1.0
96.95992	1.2
113.67467	1.1
151.79327	1.1
158.23222	1.1
164.69763	1.1
168.73892	1.1
179.18427	1.1
202.76074	1.0
209.11894	2.3
291.19733	4.5
309.20602	3.4
334.19467	1.4
365.24585	2.0
371.25937	2.4
381.27887	2.4
389.88229	1.3
407.74393	1.0
411.95459	1.1
443.26981	13.4
443.32584	4.3
444.27905	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	443.3171
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
53.06796	1.3
57.03447	5.8
57.85313	1.6
59.01382	3.1
61.98850	1.4
71.05041	5.8
71.13013	1.8
71.13334	2.4
76.43744	1.4
78.95893	2.6
85.06616	1.4
93.81625	1.6
94.11427	1.4
125.06110	4.1
151.04031	5.1
180.04280	2.8
197.11661	1.6
207.10208	1.8
209.90395	1.5
217.08696	1.9
222.09044	3.1
233.07967	1.4
235.09782	45.1
236.10448	7.1
247.09712	5.9
249.11420	7.5
261.11310	3.6
289.97403	1.9
301.86349	1.6
307.30063	14.7
308.01950	1.6
351.28995	5.2
369.30200	13.4
381.31723	6.9
382.31787	1.7
397.31036	20.1
398.31552	2.2
399.32684	44.2
400.32928	7.2
443.27042	21.0
443.32480	100.0
444.32846	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	443.3531
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
52.64487	0.7
56.46706	0.7
60.48457	0.6
69.43618	3.5
69.44035	1.6
81.98974	0.8
83.05038	2.2
103.15307	0.7
127.46385	0.6
198.35423	0.6
341.09390	0.8
443.35382	100.0
444.35687	15.2
461.32867	1.0
468.93112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41864	2.4
54.60225	2.7
59.01391	21.5
61.98837	100.0
71.01371	4.3
71.55768	4.2
92.05071	4.3
96.96008	10.7
114.37939	2.8
123.60222	2.7
129.38371	2.6
136.04036	3.9
160.84167	3.5
237.24539	3.0
269.04550	6.1
297.04141	3.9
325.03680	3.0
396.74356	2.8
422.45700	2.8
444.23978	5.2
445.07703	6.6
445.25320	3.9
445.30161	4.8
459.31427	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73253	1.4
59.01384	11.4
60.12405	1.6
61.98836	100.0
70.05236	6.1
71.01389	2.0
77.04979	1.3
79.73901	1.4
81.12051	1.3
89.02416	1.5
92.56478	1.2
93.14602	1.2
96.96022	5.9
113.02460	1.9
123.20297	1.3
125.09712	4.7
139.11293	3.2
152.99562	2.5
153.09270	1.9
153.88942	1.7
187.09779	4.9
200.84128	1.4
201.11386	4.3
211.13406	9.9
269.04581	3.8
297.03958	1.6
444.25317	1.5
445.07440	3.0
445.24698	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	444.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.3
59.01384	43.4
60.73581	5.2
61.01806	4.4
61.98534	7.3
61.98837	100.0
67.19277	4.1
69.72136	9.1
69.72438	28.2
69.82713	4.0
72.60881	3.9
79.31930	5.1
82.88648	3.9
96.96024	68.3
102.51399	4.9
107.46326	4.7
150.00420	4.2
317.72668	6.2
425.53015	4.8
444.28427	8.4
445.07672	9.4
445.28690	8.5
445.33231	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	445.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45432	1.0
57.08757	1.1
59.01385	12.2
68.76540	0.9
70.43225	1.1
71.01395	5.7
71.56378	1.5
72.00917	11.6
74.02483	8.5
75.00880	66.5
85.02988	1.7
88.76096	1.1
89.02450	7.6
91.39156	1.2
101.02451	2.9
103.00384	100.0
104.00736	1.8
104.03550	66.3
113.02457	2.5
119.03513	2.7
131.03593	1.2
179.05614	4.3
234.83694	1.3
245.05661	1.0
341.07230	0.7
341.10913	20.1
401.49042	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	445.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02235	1.5
59.01382	19.0
64.77145	1.6
70.96040	4.5
71.01373	9.8
72.00925	17.1
73.02952	3.5
74.02477	13.2
75.00880	46.5
78.95883	1.9
85.02943	4.3
89.02457	11.8
101.02440	4.6
102.99729	3.5
103.00383	60.9
104.03550	100.0
113.02449	3.0
119.03516	3.2
135.04489	3.0
145.44536	1.6
156.99019	2.2
161.04570	3.0
173.04532	2.1
179.03560	2.7
179.05602	5.3
191.05612	2.5
283.08057	2.2
284.11136	1.7
315.07364	2.0
341.10782	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	445.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19118	0.7
56.04509	0.6
58.79957	0.6
59.01383	100.0
60.01712	0.8
61.98833	1.5
71.01406	1.1
71.48940	0.7
71.55807	1.2
78.95921	3.9
96.96027	7.6
101.57059	0.7
109.22520	0.6
121.02963	0.8
132.40108	0.6
149.00105	7.1
205.15996	4.7
210.78902	0.6
224.54570	0.7
233.11595	1.9
258.60269	0.6
269.04672	2.6
271.65417	0.7
283.44769	0.8
297.04169	1.1
311.22836	0.7
325.03497	1.4
331.56335	0.6
341.25128	0.7
347.22113	0.9
349.17245	1.8
355.16779	23.1
355.20996	1.3
356.17233	2.8
357.28152	0.9
362.96631	0.8
385.14511	2.0
385.18378	11.6
386.18353	1.6
389.89340	0.6
401.31381	1.2
445.07941	2.4
445.20218	2.3
445.29980	9.9
446.30359	1.0
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
56.13222	0.4
57.07237	0.4
59.01370	1.2
66.06245	0.4
69.31334	1.5
76.10001	0.4
78.95912	7.0
86.15150	0.4
93.77501	0.4
96.00512	0.5
106.72554	0.5
110.98537	5.3
131.85669	0.4
152.99644	0.5
167.01169	2.7
185.02177	4.3
233.22787	0.4
251.11133	0.5
277.21741	100.0
278.22089	9.1
315.71011	0.4
445.23682	5.7
446.23834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
70.87316	0.9
73.86362	0.4
78.95913	5.8
104.97492	0.6
110.98535	4.6
127.07660	0.4
152.99532	0.5
167.01178	1.9
185.02223	4.3
233.22716	0.5
259.20389	0.5
277.21747	100.0
278.22107	9.9
445.23749	5.0
446.23840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42890	0.7
59.01386	100.0
60.01721	1.4
61.98856	1.7
69.75453	3.8
71.01390	0.8
91.04026	2.0
96.96023	10.1
98.19933	1.4
106.03427	0.6
110.33814	0.7
126.33746	0.8
153.09183	0.8
163.85193	0.8
211.13519	1.0
261.11880	0.7
269.04761	1.0
275.58759	0.8
292.91275	0.8
293.21191	1.8
297.04230	0.8
300.87738	0.8
307.02005	1.3
311.22308	13.7
312.22638	1.4
400.50299	0.7
407.27615	0.7
445.30032	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	445.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.03452	0.9
60.01727	1.0
61.98821	2.2
70.60963	1.9
70.61295	1.8
78.95910	2.4
96.96022	18.9
120.24738	1.0
128.92085	0.8
131.24651	1.0
141.91457	0.9
152.99574	4.0
175.29506	1.0
210.42671	1.0
223.66356	1.0
289.47235	1.0
293.21265	9.1
311.22305	18.0
312.22580	1.8
373.27341	2.2
385.13171	1.3
427.28259	1.0
438.79135	0.9
445.29590	4.3
457.11142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52407	0.8
59.01385	100.0
59.15051	0.7
60.01719	1.4
61.98840	2.4
70.56321	2.1
71.01379	1.9
78.95907	6.8
85.02978	0.9
89.02451	1.6
91.04035	1.6
96.96037	5.6
96.96980	2.1
98.19897	0.9
99.92606	1.0
109.06573	1.0
116.92838	1.0
119.03554	0.9
121.02997	1.2
125.09734	0.9
149.06052	1.1
152.99603	10.3
153.09209	1.4
193.12274	1.0
269.04706	1.7
293.21454	1.3
297.04062	2.3
311.22229	11.5
312.22705	1.4
357.05646	1.0
385.18790	1.3
409.28036	1.1
427.28784	5.9
445.19748	2.1
445.30530	8.6
446.30051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2961
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
50.24061	0.3
53.63685	0.3
59.01385	2.8
61.47161	0.3
61.98829	0.9
70.08111	0.7
70.08496	0.7
71.01397	0.9
85.02983	0.4
93.33594	0.4
94.26554	0.4
96.96011	1.3
101.02484	0.4
105.37986	0.4
114.62340	0.4
123.08144	0.5
135.04543	0.8
148.35405	0.3
153.09239	0.5
155.62633	0.3
269.04654	0.6
327.21790	1.0
341.28406	0.5
383.29547	0.7
401.30627	25.9
402.30862	3.2
419.62933	0.4
445.29633	100.0
446.29977	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	445.3327
Annotation	Stylisterol B
Peak:m/z	Relative Intensity
56.11898	0.3
57.03394	0.3
59.01318	1.0
59.01591	0.5
59.21954	0.3
60.99237	1.0
61.98791	0.4
63.12445	0.3
65.31215	0.2
71.01338	0.3
71.55227	0.4
71.55572	0.3
72.55293	0.3
74.91276	0.3
79.01804	0.9
82.16568	0.3
89.61159	0.3
97.06529	0.3
111.04526	1.4
121.02877	0.4
125.21815	0.2
180.60902	0.3
198.05292	0.3
205.04971	0.4
211.18109	0.3
219.06563	1.2
220.07330	1.1
221.08072	0.4
233.08073	1.3
252.06326	0.5
263.09244	2.4
269.04483	0.4
277.21588	0.4
317.14035	1.3
333.13351	1.0
359.18433	0.4
361.16498	0.5
381.31729	0.9
383.29474	1.0
397.31039	3.1
398.31458	0.3
399.32846	0.5
400.72125	0.3
401.30521	0.6
415.32202	71.7
416.32520	10.7
441.30292	0.7
445.26233	11.1
445.33282	100.0
446.26501	1.4
446.33643	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	445.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01384	2.3
60.99315	1.0
61.98812	0.4
71.57150	0.5
89.02461	0.3
94.14828	0.3
107.48603	0.4
113.84772	0.3
128.16016	0.3
133.63362	0.3
137.29527	0.4
149.20438	0.3
293.95697	0.4
383.33331	0.8
397.31207	3.0
398.31454	0.6
401.30792	1.4
402.31421	0.4
415.32214	73.9
416.32516	10.3
445.33374	100.0
446.33752	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	446.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62804	1.7
59.01384	14.5
61.98840	100.0
63.52998	1.5
65.75789	1.2
70.12492	2.3
70.12887	4.8
71.01382	3.2
78.95901	7.7
84.53526	1.4
85.02981	1.5
89.02466	1.8
89.15638	1.5
91.92569	1.5
96.96047	7.3
101.02444	1.6
102.56392	1.6
113.92846	1.5
121.02976	1.8
125.02535	2.2
133.02956	8.9
133.46841	1.3
135.04561	1.9
149.02492	1.4
152.99564	7.1
161.02429	1.7
163.00407	2.0
163.04091	1.7
175.03961	2.8
211.13504	4.0
284.03284	4.1
285.04089	17.3
297.04022	11.9
298.04819	8.8
299.05688	12.3
311.05627	3.5
327.05127	48.1
339.05011	5.2
357.06219	24.9
369.06308	1.7
387.20193	2.3
408.66449	1.6
429.08325	1.8
446.20630	2.0
446.30106	6.7
447.09106	24.7
447.26883	3.1
447.31967	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	446.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	63.9
60.01707	3.0
61.98837	100.0
71.12912	2.7
75.27274	1.8
78.95912	51.5
89.02432	2.2
96.96025	26.5
96.96956	3.6
112.98565	2.2
124.16174	1.7
133.02972	4.7
149.00119	14.1
152.99594	53.8
158.92462	2.1
171.00708	2.2
173.58699	1.6
284.03259	3.4
285.04059	5.1
297.04041	5.0
298.04688	3.1
299.05621	7.7
311.22296	4.3
312.22693	6.2
313.23944	2.8
327.05115	27.4
357.06113	12.2
410.15063	4.1
429.07928	2.7
431.10303	2.4
446.29898	5.5
447.13733	86.0
447.21368	5.5
447.26859	6.2
447.31195	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	446.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	63.9
60.01707	3.0
61.98837	100.0
71.12912	2.7
75.27274	1.8
78.95912	51.5
89.02432	2.2
96.96025	26.5
96.96956	3.6
112.98565	2.2
124.16174	1.7
133.02972	4.7
149.00119	14.1
152.99594	53.8
158.92462	2.1
171.00708	2.2
173.58699	1.6
284.03259	3.4
285.04059	5.1
297.04041	5.0
298.04688	3.1
299.05621	7.7
311.22296	4.3
312.22693	6.2
313.23944	2.8
327.05115	27.4
357.06113	12.2
410.15063	4.1
429.07928	2.7
431.10303	2.4
446.29898	5.5
447.13733	86.0
447.21368	5.5
447.26859	6.2
447.31195	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
65.79890	0.6
69.72962	3.5
71.01381	1.0
73.88383	0.7
79.01893	1.4
97.02951	1.0
98.19643	0.7
103.65118	0.7
107.01320	0.8
109.02954	2.8
117.03488	0.8
121.02946	2.2
133.02968	17.3
135.04539	2.1
147.04666	0.7
149.02412	1.0
151.00398	1.0
161.02457	2.6
161.89870	0.8
163.00368	3.5
163.04013	3.2
165.01941	2.8
171.04541	0.7
175.04062	3.5
177.01982	0.9
187.03969	0.7
193.01414	2.0
199.03989	2.4
201.01927	1.7
209.06097	0.8
211.04074	1.1
213.05530	1.4
225.05524	2.0
227.03412	1.3
240.04146	0.8
241.05011	1.2
253.05167	1.7
255.03033	1.5
255.06577	1.6
269.04504	1.8
284.03305	7.2
285.04056	12.1
286.04663	0.8
297.04062	22.2
298.04782	16.2
299.05624	25.1
300.05920	1.6
309.04147	1.5
311.05670	6.0
324.02737	1.4
325.03497	1.1
327.05115	100.0
328.05426	8.8
330.03763	1.0
339.05051	10.5
341.06516	1.2
355.05264	0.7
357.06189	64.6
358.06607	6.8
369.06155	3.3
387.07205	1.4
399.07230	0.9
411.06885	1.5
429.08200	9.6
447.09363	67.2
448.09695	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60865	0.5
59.01397	0.5
65.00356	1.0
69.36335	4.1
77.03989	1.5
79.01900	0.9
90.43050	0.5
93.03493	0.8
94.71921	0.5
97.02982	1.0
105.03477	0.8
107.01414	1.3
109.02977	3.0
119.05093	1.0
121.02966	2.4
123.00871	0.8
125.02459	1.6
132.02209	0.6
133.02975	21.7
134.03714	0.5
135.04544	2.0
136.01797	0.5
137.02431	0.7
144.72340	0.6
147.04504	0.7
148.01669	0.8
149.02461	1.5
151.00420	1.3
151.04071	0.5
161.02463	2.1
163.00400	3.2
163.04042	4.6
165.01974	2.9
173.02556	0.6
175.04004	4.2
177.01965	1.4
185.06094	0.5
187.04097	0.6
189.01959	0.7
191.03511	1.9
193.01442	1.6
197.06189	0.6
198.03369	0.9
199.04022	2.2
199.07707	0.5
201.00311	0.5
201.01961	2.1
201.03798	0.5
201.05727	0.6
203.03528	0.7
211.03937	0.9
211.07729	0.7
212.04828	0.6
213.05573	1.4
215.03589	0.8
225.05579	1.5
227.03442	1.1
227.07025	0.7
229.05121	0.8
237.05673	0.5
240.04266	1.2
241.05034	1.4
243.02913	0.7
253.05132	1.5
255.03148	0.8
255.06798	1.3
256.03976	0.6
257.04535	1.0
269.04599	1.8
284.03281	10.8
285.04074	6.7
297.04068	16.1
297.48178	0.5
298.04831	11.0
298.07977	0.9
299.05615	16.3
300.06012	1.3
309.04080	1.1
311.05618	3.1
324.84131	0.5
325.03363	0.7
327.05136	100.0
328.05466	10.5
339.05026	2.3
341.06601	1.2
357.06195	30.8
358.06552	3.4
369.06271	3.9
393.06259	1.9
447.09344	27.7
448.09778	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	447.0939
Annotation	luteolin-7-O-glucoside
Peak:m/z	Relative Intensity
51.08490	0.4
55.50118	0.4
59.01387	35.3
60.01720	0.6
63.02420	1.0
63.27099	0.4
65.00334	0.9
69.56959	2.6
71.01389	4.3
73.02958	1.2
83.01395	1.2
85.02954	2.1
87.00907	0.5
89.02472	1.8
98.24658	0.4
99.00872	0.8
101.02476	3.3
107.01401	2.7
109.02985	0.9
113.02447	2.2
119.03507	1.0
121.02955	0.8
125.02429	0.4
133.02992	6.1
134.03745	1.6
135.04546	0.8
137.02458	0.4
143.03459	0.8
147.04514	0.3
149.02425	1.5
149.99658	0.5
151.00388	4.5
159.03006	0.5
161.02460	0.5
161.04562	4.3
163.03981	0.6
171.04523	0.5
173.04523	0.9
175.04016	2.7
183.04407	0.5
183.62241	0.4
185.05995	0.7
191.05612	1.7
199.03996	2.4
200.04803	1.1
201.02043	0.8
210.93146	0.4
211.03978	1.6
211.13394	0.4
212.04756	0.6
214.20679	0.4
215.03397	0.5
216.04338	0.5
217.05075	0.9
227.03516	1.2
229.08514	0.8
241.05058	1.2
243.03026	0.6
255.02951	1.3
256.03809	3.8
269.04535	0.5
283.02383	0.8
284.03296	58.4
285.04062	100.0
286.04404	7.2
297.04153	2.5
298.04898	1.4
299.05569	2.9
323.01135	0.4
327.05124	13.7
328.05560	0.6
339.05106	1.2
341.06784	0.4
357.06171	5.4
358.06500	0.6
369.06235	0.6
387.20300	6.4
388.20599	0.5
429.07977	0.5
447.09348	77.4
448.09683	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	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94934	0.5
59.01381	2.3
71.01393	6.2
71.31498	1.2
73.02957	2.2
81.11174	0.7
83.01363	0.7
85.02966	3.6
89.02458	1.5
95.01380	1.1
99.00897	2.9
101.02461	1.8
108.02187	56.4
109.02990	15.6
113.02462	3.0
121.02995	0.6
121.21600	0.6
123.04536	0.9
134.03696	0.7
135.04529	1.2
151.04031	1.5
152.01167	100.0
153.01785	4.3
161.04576	2.4
163.04054	3.7
165.01738	0.6
166.77980	0.6
237.78894	0.6
271.08121	0.9
315.07440	0.9
331.00711	0.7
447.11465	92.2
448.11850	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
58.27673	0.4
59.01386	3.2
69.93182	2.2
71.01390	5.8
73.02962	2.5
76.22167	0.4
81.03461	0.4
83.01400	0.8
85.02945	3.3
89.02464	1.2
90.80501	0.4
95.01402	1.8
96.39561	0.4
98.20578	0.7
99.00888	2.2
101.02441	3.3
105.01952	3.7
108.02190	52.2
109.02998	16.0
113.02477	2.1
123.04568	1.0
135.04582	0.6
137.02478	0.5
151.04074	2.2
152.01176	100.0
153.01613	5.1
161.04585	1.4
163.04005	3.5
177.01888	0.7
179.03572	0.5
185.54181	0.5
207.02968	0.5
269.73630	0.4
271.08255	0.5
315.07294	1.7
447.11462	95.7
448.11853	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	447.13
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02408	0.9
52.11104	0.7
56.89414	0.6
59.01383	4.2
69.03463	63.6
69.21847	0.8
69.56285	4.5
70.03809	1.0
79.01898	53.4
79.21629	0.7
80.02223	1.1
81.03455	2.5
85.02957	2.7
93.03473	1.2
95.01392	9.6
97.02958	36.8
97.77245	0.6
98.03289	1.3
107.01400	100.0
108.02209	22.3
109.03001	4.2
113.02425	1.0
113.22193	0.7
120.24811	0.8
121.02984	4.0
123.00898	15.0
125.02457	54.1
126.02855	1.8
130.79918	0.6
133.02968	2.5
135.00897	61.7
135.04524	1.3
136.01714	4.0
137.02460	2.6
147.92975	0.8
149.02461	2.6
151.00381	75.8
152.01166	48.9
153.01964	6.1
163.04024	4.8
165.01941	1.3
177.01939	8.6
197.06050	1.0
198.06827	1.3
215.81013	0.7
225.05571	1.4
242.05865	99.7
243.06602	74.3
243.09271	1.1
244.06972	4.7
249.02597	0.7
267.06616	0.8
285.07700	3.5
327.05191	3.0
328.04745	0.7
339.07285	4.8
340.07407	0.9
357.06137	1.1
387.10928	2.5
447.13058	35.8
448.13248	4.0
453.40842	0.7
473.01831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46226	0.1
59.01369	1.3
62.42215	0.2
65.00325	0.8
65.03978	0.1
69.03457	0.3
69.56303	1.1
71.01371	0.2
79.01897	0.4
79.88110	0.1
79.95719	0.2
80.02681	0.6
81.03481	0.3
90.00444	0.2
91.01904	15.3
92.02243	0.4
93.03468	3.3
95.01400	0.9
97.02995	0.2
101.02428	0.2
107.01383	0.9
107.05053	0.6
108.02185	18.5
109.03003	3.4
111.00877	0.2
113.65423	0.1
117.03468	0.1
121.02977	0.8
123.00900	5.6
124.01663	0.5
125.02466	0.4
133.02983	0.5
135.00899	14.6
136.01234	0.4
137.02457	10.5
138.02808	0.4
149.02481	0.2
151.00368	0.5
151.03851	0.2
152.01164	16.9
153.01593	0.7
177.01880	0.2
191.05756	0.2
197.06096	1.3
199.07648	0.6
211.13438	0.4
213.05550	1.3
214.76891	0.2
215.07178	0.8
225.05557	0.2
241.05081	0.4
242.05942	0.7
243.06630	100.0
244.06950	7.3
256.88409	0.1
269.04529	0.2
284.03235	0.2
285.04010	0.5
297.04129	0.5
298.04758	0.2
299.05542	0.6
327.05087	2.4
328.05765	0.2
357.06079	1.1
387.10901	0.4
404.75583	0.2
405.11847	0.2
429.08472	0.2
447.13696	2.7
447.24142	0.1
448.13223	0.5
462.48529	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	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
62.96416	1.0
63.87233	0.2
70.32429	0.5
78.95913	37.8
85.24121	0.2
96.96029	0.5
96.96982	2.4
97.07861	0.3
98.20613	0.2
98.71312	0.2
99.26373	0.2
133.03049	0.2
139.22275	0.2
149.00111	18.9
150.00502	0.3
152.99586	0.6
158.92566	1.8
161.92464	0.2
179.01172	3.0
205.16003	1.1
206.20944	0.2
208.82915	0.2
240.96451	0.3
254.99409	0.2
267.11642	0.3
270.66125	0.3
285.04166	0.7
288.89450	0.3
297.04028	0.4
298.04797	0.3
299.05676	0.5
327.05121	1.8
347.08267	0.6
357.06177	1.0
417.12866	1.4
431.10339	2.5
432.10471	0.3
447.13474	100.0
448.13828	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	447.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51555	1.0
53.00646	0.9
55.01874	1.6
57.03442	2.9
58.00595	3.5
59.01383	100.0
60.01702	1.4
69.03471	6.9
70.28658	3.6
70.29012	1.2
71.01387	70.1
72.01717	1.0
72.99304	4.1
73.02953	15.2
75.00862	3.5
81.03445	4.2
82.95409	2.0
83.01402	7.2
83.05006	1.2
85.02959	13.2
87.00874	2.9
89.02453	86.9
90.02806	1.8
93.03444	3.1
95.01417	4.7
97.02956	10.9
99.00887	16.1
99.04532	2.1
101.02460	18.6
108.02185	4.5
109.02971	3.9
111.00889	2.6
111.04526	1.2
113.02472	12.9
115.04021	5.9
119.03494	3.6
121.02966	1.4
123.00892	27.0
123.04523	1.9
124.01558	1.3
125.02459	44.9
126.02827	0.9
127.03980	2.5
131.03506	9.3
133.02948	2.3
133.05075	1.3
135.04524	2.1
137.02420	2.8
138.02243	1.4
138.03247	22.7
139.03563	1.9
143.03491	4.1
144.21375	0.9
149.02451	0.9
149.04573	12.1
149.09726	4.3
149.99550	2.5
151.00406	7.6
151.03958	1.2
152.01149	10.3
153.01968	1.8
153.05594	5.6
153.09193	1.7
155.03426	1.2
161.04555	6.2
166.02736	10.6
167.03481	3.6
167.10793	8.9
168.00655	5.8
173.04526	4.2
179.03503	1.6
181.05098	15.2
190.02768	2.8
191.03874	1.5
191.05603	11.9
197.04581	1.1
205.05124	1.5
209.57549	1.0
229.08708	1.5
233.04382	1.7
233.06677	30.8
273.07724	1.8
285.04059	1.1
293.08795	24.6
294.09116	1.8
313.05670	1.6
327.05042	6.3
387.20163	1.1
429.13687	3.3
438.36514	1.1
447.11063	18.6
447.21329	1.3
448.11267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
61.98831	0.8
69.96866	0.4
69.97242	0.4
71.01377	0.4
72.99309	0.5
78.80314	0.2
78.95911	58.0
89.02445	0.3
93.03439	0.3
96.17226	0.2
96.96033	2.8
96.96972	6.7
97.02964	0.2
109.02966	0.5
114.32710	0.2
115.00345	0.3
116.92854	0.6
117.02021	0.2
121.02956	0.4
133.02928	1.4
137.02393	0.3
142.46716	0.2
149.00027	0.3
149.02444	0.4
150.98009	1.7
152.99602	100.0
153.99934	1.5
155.07077	0.3
161.02443	0.2
163.03972	0.3
165.01981	0.3
171.00665	4.3
175.03995	0.4
199.03987	0.3
211.13414	0.5
213.05789	0.3
262.11850	0.7
275.19931	0.3
281.87341	0.2
284.03320	1.0
285.04056	2.6
293.21271	0.5
297.04129	1.4
298.04785	1.1
299.05615	1.9
311.05725	0.4
311.22253	0.5
327.05127	7.6
328.05447	0.5
331.18811	0.6
339.05206	0.4
357.06238	3.3
358.06238	0.3
429.07901	0.4
447.08743	3.0
447.14612	0.5
447.21533	11.7
447.26257	0.4
447.31628	4.6
448.09357	0.3
448.21838	1.1
448.31528	0.4
449.59656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.3
61.98842	2.9
62.96410	0.6
70.45779	1.5
72.99223	0.4
78.95913	59.1
89.02425	0.5
96.96027	2.1
96.96973	6.4
98.21992	0.5
98.95602	1.1
101.02429	0.6
133.02991	2.5
150.98058	2.1
152.99603	100.0
153.99937	1.4
163.00444	0.6
171.00662	5.4
175.04045	0.5
191.26227	0.5
193.63177	0.4
197.61163	0.4
211.13431	0.8
214.02710	0.4
284.03271	1.0
285.03976	2.7
297.04041	3.2
298.04837	2.2
299.05582	4.1
311.05789	1.0
327.05109	14.9
328.05234	0.6
330.25732	0.5
339.04861	0.9
357.02246	0.6
357.06268	5.9
357.28354	0.6
358.06482	0.9
369.06274	0.8
385.27451	0.8
403.32730	0.5
447.09354	7.6
447.21716	8.5
447.31732	9.7
448.09656	0.6
448.22198	1.1
448.31882	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81889	0.4
57.03450	1.0
58.00604	1.0
59.01386	100.0
60.01728	0.9
68.99830	0.6
71.01394	15.1
72.99315	1.4
73.02949	3.1
74.10666	0.4
77.28462	0.4
81.03464	0.5
83.01411	1.6
83.05063	0.5
85.02956	4.2
87.00896	1.3
89.02454	13.4
91.01926	1.9
93.03483	1.2
95.01419	1.3
96.96041	0.8
97.02972	0.5
98.20657	0.9
99.00922	1.1
99.04524	0.5
101.02454	8.9
105.61023	0.4
107.01420	1.1
108.02171	2.6
109.02984	1.9
109.72701	0.4
111.00941	0.9
112.93775	0.5
113.02469	5.9
119.03513	6.7
121.02950	0.9
123.00916	1.0
123.04543	8.7
124.01720	0.7
124.04874	0.4
125.02468	1.0
126.11616	0.4
131.03551	0.7
133.03006	1.7
135.04594	1.2
135.06682	0.8
137.02477	1.0
137.09688	0.6
143.03497	2.2
149.02534	0.6
149.04575	0.9
149.06123	0.9
151.00412	1.7
151.04068	0.6
152.01166	4.6
153.01973	1.6
153.05666	0.8
154.01483	1.1
155.03572	0.5
155.38492	0.4
160.54845	0.5
161.04515	2.7
165.02019	0.6
166.02737	0.9
167.03514	26.2
168.04066	1.5
173.04597	1.6
175.04094	0.7
179.03488	0.6
179.04019	0.8
179.05627	7.3
181.05138	1.0
183.06712	0.7
191.05659	2.7
192.06061	0.4
193.01485	0.6
193.05136	1.2
194.02281	0.9
199.00031	0.7
206.86284	0.4
209.04567	6.2
223.06128	0.5
229.08817	0.8
239.05731	0.6
241.07254	0.4
243.66988	0.4
265.07428	0.7
269.06839	1.6
273.07874	1.6
284.03494	1.1
285.04047	3.0
297.04248	1.7
298.04953	1.2
299.05527	1.9
299.99158	0.6
327.05145	7.7
328.05594	0.9
330.06647	0.6
339.05157	0.5
348.36508	0.4
357.06155	4.2
360.07959	1.3
387.20654	0.9
396.65665	0.5
405.21567	0.7
447.09705	4.8
447.15378	20.1
447.22110	0.7
448.10046	0.9
448.15640	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01733	1.3
69.61018	4.2
71.01395	12.6
72.99348	0.8
73.02968	1.5
76.05157	0.7
83.01411	1.0
85.02966	2.7
88.73219	0.8
89.02452	15.2
95.80397	0.7
101.02460	8.8
103.11846	0.8
113.02461	5.8
119.03522	8.1
131.03520	0.7
143.03581	1.6
149.04633	1.0
161.04576	3.9
179.05647	7.8
266.16168	0.8
297.03891	0.9
299.05856	1.5
327.05222	3.6
357.06284	1.1
387.20218	11.6
387.24762	0.8
388.20306	1.0
447.09451	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73294	0.4
53.78303	0.4
56.27291	0.4
57.03463	1.8
59.01385	50.4
61.98836	2.5
65.00353	0.6
69.47115	3.6
71.01395	6.7
73.02976	1.6
77.03984	0.9
77.41547	0.5
78.02554	0.4
79.01923	1.5
82.46576	0.5
83.01421	0.7
85.02968	1.9
88.98837	0.6
89.02453	7.3
91.34928	0.5
92.35000	0.5
93.03468	1.0
95.01366	0.5
97.02940	1.0
98.19943	1.0
99.04565	1.4
101.02444	4.0
105.03466	0.7
108.02174	0.7
109.02978	3.7
111.00940	0.5
113.02460	3.4
119.03498	3.0
119.05061	0.7
121.02946	2.3
123.00927	0.7
125.02480	2.1
131.03535	0.7
133.02966	20.5
134.03740	0.7
135.04547	3.1
137.02510	1.3
143.03563	1.0
145.03032	0.6
147.04532	1.0
149.02480	2.1
151.00436	1.1
153.01944	1.1
161.02431	2.4
161.04596	2.1
163.00359	3.7
163.04047	2.6
165.01942	3.3
168.04352	1.1
173.04608	0.7
175.04007	4.0
177.01973	1.6
179.03555	0.6
179.05641	3.0
183.06561	1.0
189.01926	0.7
189.66978	0.5
191.03551	1.1
191.05534	0.6
193.01398	1.3
196.05275	0.6
198.03299	0.6
199.00148	0.5
199.04033	2.4
199.07657	0.6
200.04434	0.5
201.01979	1.8
203.03488	1.1
205.01521	0.5
211.03987	0.7
211.07556	0.6
212.04893	0.8
213.05566	1.4
215.03450	0.6
217.05048	0.7
223.17380	0.5
225.05640	2.4
227.03581	1.3
227.07127	0.8
229.01419	0.6
229.05104	1.0
240.04344	1.3
241.05046	2.0
243.03082	0.8
246.17496	0.5
253.05154	2.4
255.02940	1.4
255.06630	1.8
267.06616	0.5
269.04630	2.2
270.05420	0.8
271.06094	0.9
281.04501	0.6
284.03290	6.8
285.04065	16.6
286.04501	1.6
297.04074	27.2
298.04816	19.2
299.05621	33.0
300.06033	3.2
309.04114	1.4
311.05643	7.7
319.94547	0.5
324.02786	2.1
325.03552	2.0
327.05115	100.0
328.05487	9.0
330.03827	1.1
339.05127	10.1
340.05386	1.0
341.06573	1.6
357.06189	58.5
358.06476	4.4
369.06161	3.2
387.07187	1.4
387.20389	3.2
393.06552	0.7
399.07095	1.1
411.07220	1.6
429.08304	8.2
430.08673	1.2
447.09335	59.2
448.09647	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	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92161	0.5
54.17857	0.6
55.01881	1.2
57.03454	0.9
58.00591	0.6
59.01387	100.0
60.01740	0.9
61.98833	4.0
69.37859	1.9
69.38287	2.8
71.01392	14.0
72.99309	0.6
73.02954	4.0
83.01409	2.2
85.02956	6.7
85.92067	0.5
87.00913	1.1
89.02456	6.4
95.01412	1.4
97.33004	0.6
99.00899	1.6
101.02455	11.9
108.02205	0.8
113.02483	5.5
119.02805	0.7
119.03503	3.7
121.02973	0.8
133.03023	2.0
143.03523	1.4
156.50380	0.5
161.04593	6.1
163.04018	0.7
164.14828	0.5
165.01941	0.7
173.04536	0.9
175.04143	0.8
179.05690	1.1
191.05673	2.2
192.69986	0.6
207.23103	0.7
215.88612	0.7
225.15001	2.7
229.08733	0.9
268.63818	0.5
284.03302	1.3
285.04019	1.7
297.04214	2.4
298.04861	1.9
299.05682	2.2
327.05127	12.8
327.08954	0.8
328.05429	1.3
357.06207	5.0
358.06522	0.7
387.20267	37.3
388.20657	4.2
429.08688	1.1
447.08676	3.8
447.22760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3116
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01385	7.0
60.01749	0.4
60.23686	0.4
61.98835	1.3
70.08705	1.3
71.01382	1.0
77.03976	0.4
78.95915	10.6
81.03462	0.4
94.72350	0.4
96.96014	4.2
96.96984	1.2
97.06580	0.5
97.38940	0.4
97.39986	0.4
98.95611	0.5
109.02982	0.4
109.06602	1.9
121.02964	0.8
133.02966	3.7
133.32584	0.4
135.04567	0.6
152.99593	14.2
161.02405	0.7
163.00392	0.7
163.04041	1.0
165.01955	0.8
167.33246	0.4
171.00624	0.6
175.04097	0.8
199.04103	0.7
201.02220	0.4
211.13434	2.1
233.11565	0.6
253.05078	0.5
284.03369	1.3
285.04089	3.6
297.04031	4.6
298.04791	3.0
299.05563	6.1
311.05707	1.4
327.05112	21.0
328.05396	1.7
339.05109	2.0
357.06177	10.0
357.10394	0.8
357.28046	1.3
358.06708	1.1
362.48407	0.5
369.28030	1.9
385.31140	5.6
386.31723	0.8
403.32281	10.6
404.32660	1.4
429.08353	0.7
429.30228	6.0
430.30234	0.8
447.09268	9.8
447.31265	100.0
448.09784	1.1
448.31592	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	447.3117
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01386	9.9
61.98834	2.0
65.00320	1.3
70.98293	1.3
71.01379	1.4
71.51849	0.7
72.99318	0.8
78.95926	7.7
83.01408	0.9
96.96030	5.3
96.96979	0.8
97.02994	0.8
98.43781	0.6
107.01370	0.7
109.02944	1.3
115.00406	0.8
119.04991	0.9
121.02965	1.1
129.35120	0.7
133.02965	7.8
135.04500	0.8
151.00339	0.9
152.99600	12.1
161.02371	1.1
163.00374	1.3
163.03966	0.7
165.01965	1.0
175.04019	1.5
177.01970	0.7
201.01988	1.2
201.11552	0.8
211.13432	2.2
220.02936	0.6
240.04294	0.6
241.04974	0.8
249.15285	0.5
262.11966	0.8
269.04446	0.7
284.03323	4.3
285.04071	16.1
286.04523	1.3
297.04089	8.5
297.11551	0.7
298.04834	5.9
299.05576	9.9
300.05820	0.7
300.99707	0.8
311.05643	2.3
313.23605	1.3
325.03513	0.8
327.05124	36.8
328.05563	2.5
339.05081	2.4
357.06210	17.2
358.06445	1.8
369.06094	0.8
385.31390	1.2
387.20013	0.9
403.32425	25.0
404.32770	4.3
429.08237	2.0
429.30377	1.0
447.09415	15.2
447.31631	100.0
448.09564	1.3
448.31979	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87538	0.3
57.12999	0.4
58.91771	0.3
59.01382	7.6
60.01725	0.6
61.98836	100.0
69.66903	2.1
71.01391	1.8
85.02949	0.6
89.02470	1.7
98.20578	0.6
101.02463	1.1
104.55283	0.3
113.02438	0.6
115.77114	0.4
119.03503	0.4
159.04530	0.6
161.04614	0.8
173.04596	0.8
187.07684	2.1
191.05650	1.4
202.06387	0.6
203.10757	0.7
231.10266	0.7
238.22876	0.4
275.09286	5.2
326.86511	0.4
388.20554	1.8
389.21802	0.8
449.14444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.1
60.25151	1.7
61.98838	74.5
68.75895	1.8
70.36918	1.7
71.55817	2.1
77.12875	2.0
78.95914	69.8
81.80047	2.0
93.03435	1.8
96.96028	4.6
96.96963	9.1
116.92860	3.5
122.91043	1.6
133.02821	2.0
152.99617	100.0
153.99963	5.3
171.00658	2.8
173.04543	5.3
191.05510	2.5
193.02808	1.7
275.09262	6.6
299.05203	2.6
300.06058	2.8
328.05463	10.6
358.06503	6.9
448.09518	6.3
448.22275	4.2
448.31653	7.0
449.23077	9.3
449.33566	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	448.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.6
61.98837	100.0
71.01391	2.7
71.18939	5.6
71.30409	2.3
72.01242	2.3
78.95917	24.4
86.32230	2.2
86.72358	2.2
93.03461	3.5
96.96006	15.1
133.02943	3.6
134.03761	2.6
152.99623	30.3
153.99954	2.8
173.04588	9.3
173.64972	2.2
191.05664	2.8
230.03250	2.7
286.04398	2.7
298.04462	3.6
300.05844	4.2
327.04947	3.6
328.05499	15.0
358.06366	5.7
412.16428	4.0
433.77838	2.3
448.09802	7.1
448.22153	4.6
448.32236	17.1
449.14786	3.4
449.23096	5.3
449.28946	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	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48605	0.7
57.03445	0.9
59.01391	7.1
63.91924	0.6
67.01890	1.1
69.03465	1.8
69.39755	5.5
71.01379	2.5
81.03488	1.0
83.05013	1.1
85.02953	9.8
87.00883	8.3
93.03470	9.1
98.20600	1.5
109.02956	2.9
111.00866	1.3
111.04527	3.7
114.32799	0.6
124.29601	0.7
127.04008	1.8
129.01959	1.1
135.04527	0.9
137.02454	0.8
149.06093	1.9
151.07703	0.8
153.66750	0.6
155.03476	3.5
155.22939	0.6
158.03786	1.6
159.04530	4.7
172.05310	6.1
173.04556	15.5
173.06078	7.4
174.06775	1.1
175.07602	1.9
182.03676	1.1
183.04578	1.5
185.09763	0.9
187.04123	4.1
187.07664	50.2
188.08078	3.5
191.05627	100.0
192.06042	3.7
197.06151	1.1
199.03949	0.9
200.04758	3.7
201.05600	7.6
201.09256	0.9
202.06364	19.3
203.06856	1.0
203.10794	2.4
204.04242	0.7
211.07570	1.6
213.09219	15.3
215.05214	1.3
215.07147	14.9
216.07829	2.2
227.03444	1.9
228.04277	1.4
229.08699	8.0
230.09410	1.8
231.06818	7.0
231.10269	34.3
232.03923	1.1
232.10599	1.8
242.27272	0.7
257.08197	13.4
258.08542	0.8
260.14288	0.7
261.92984	0.7
275.09283	58.7
276.09607	5.1
389.21762	1.1
441.52365	0.7
449.14526	9.4
450.14694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
58.16177	1.0
59.01382	7.6
61.98831	7.6
62.96416	19.3
69.22463	2.7
69.22864	8.6
70.22398	1.4
71.01385	1.4
78.95914	56.7
79.41225	1.3
80.96404	1.1
80.97475	27.6
87.00886	1.7
93.03456	10.9
96.96020	5.8
105.63770	1.3
111.04539	2.2
113.14893	1.3
115.48225	1.1
133.02983	1.7
134.03741	4.5
135.04530	2.3
137.02518	1.3
149.00102	13.8
152.99570	5.5
158.27029	1.2
170.51138	1.2
173.04561	22.6
179.01218	2.4
183.41077	1.1
191.05617	5.2
205.15881	6.5
231.10336	1.5
236.96793	1.2
242.98312	4.8
275.09283	9.0
275.43234	1.2
285.12549	1.6
289.57990	1.1
329.05722	1.6
345.20560	1.3
355.16791	16.7
356.17105	1.8
363.60995	1.2
379.92761	1.2
385.17880	18.8
386.18173	2.4
387.29269	2.1
431.28033	2.9
449.14941	100.0
449.27930	6.4
450.15332	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	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.7
61.98845	0.5
62.96421	0.3
67.88808	0.2
69.24878	0.5
69.25296	1.9
71.01389	0.4
78.95914	55.8
93.03465	1.3
93.97324	0.3
96.96037	1.2
96.96968	6.8
98.19936	0.4
116.92846	1.9
116.97282	0.8
117.01977	0.6
117.49693	0.3
123.04522	0.3
133.02951	0.4
134.03763	0.6
135.04564	0.3
150.98000	2.0
152.99602	100.0
153.99953	1.4
171.00653	4.1
173.04575	2.0
183.67793	0.3
190.73055	0.3
191.05707	0.5
195.14038	0.4
231.10396	0.3
257.67960	0.2
275.09409	1.2
295.22772	1.0
335.26358	0.3
367.16473	1.0
403.32571	0.3
404.32864	0.4
405.32806	0.7
449.23242	11.8
449.32227	4.1
450.23505	1.6
450.33127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90797	0.6
59.01386	100.0
61.98831	1.9
69.66463	3.8
70.25008	0.6
71.01383	12.3
73.02966	3.1
78.50543	0.6
83.01407	1.9
85.02963	5.3
87.00932	0.8
89.02457	8.0
93.03477	2.4
95.01389	0.7
99.00892	0.9
101.02454	9.4
108.19096	0.6
109.02952	1.1
111.04527	1.0
112.62389	0.5
113.02476	6.4
114.90662	0.6
119.03539	3.7
129.82057	0.7
133.02972	4.4
134.03349	1.2
135.04562	0.8
143.03592	0.8
149.02475	0.9
149.04495	0.7
155.03468	1.0
158.03819	1.2
159.03162	1.1
159.04576	2.6
161.04555	6.0
163.00357	0.6
165.01917	0.8
166.43341	0.7
173.04617	4.2
173.06064	1.5
175.04105	1.2
175.07646	0.9
179.05676	3.1
183.04530	0.7
187.04109	0.8
187.07671	6.1
191.05635	6.4
201.05533	0.8
202.06377	1.7
203.10794	1.7
212.04268	0.8
213.09311	1.5
231.10284	4.0
270.05054	0.7
271.05084	0.8
275.09308	14.3
284.03360	1.0
285.04004	1.3
286.04214	2.5
287.04523	4.0
297.04205	2.4
298.04501	3.0
299.04831	7.5
300.05627	5.4
301.06195	7.2
311.05429	0.8
313.06427	1.5
327.05112	6.4
328.05487	6.0
329.05685	21.8
339.05176	0.8
341.05807	3.3
357.06366	2.2
358.06586	3.6
359.06729	14.0
359.10797	1.1
389.07880	0.7
389.16776	1.7
389.21832	34.1
390.22287	2.7
390.75677	0.7
431.09082	1.9
449.09805	18.5
450.10406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03450	2.5
58.43076	0.9
59.01387	100.0
60.01704	1.1
67.01897	1.6
69.73308	4.5
71.01392	16.7
71.30717	0.8
73.02945	3.5
83.01402	1.4
85.02963	9.0
87.00895	2.8
89.02454	7.1
93.03467	8.5
95.01413	1.0
95.08701	1.0
97.02956	0.9
97.69119	0.9
99.00922	1.4
101.02464	11.9
109.02953	1.7
110.03260	1.5
111.00887	1.8
111.04515	2.5
113.02487	7.7
119.03516	4.2
121.03028	1.1
125.02467	1.6
126.82958	0.9
129.01955	1.1
133.02991	8.6
134.03308	3.2
135.03583	1.3
135.04529	2.4
137.02435	1.9
143.03539	1.2
146.03781	1.1
147.04546	1.2
155.03522	1.6
158.03737	2.3
159.04526	3.8
161.02510	1.1
161.04605	7.9
163.04039	1.2
165.01978	1.9
167.10706	0.8
172.05298	1.0
173.04578	21.0
173.06036	2.8
174.06714	1.0
175.04089	1.6
179.05618	2.2
187.04018	1.3
187.07658	11.4
191.05637	22.5
191.19699	0.9
192.05910	1.2
199.95123	1.0
201.05630	1.7
202.06357	3.7
203.10776	2.9
213.09224	2.7
215.07156	1.6
228.04134	0.9
231.10268	9.0
242.05106	1.2
248.85794	1.0
257.08179	3.0
275.09286	29.3
276.09619	1.8
284.03387	2.0
285.03821	3.1
286.03961	5.7
287.04681	2.8
287.15283	1.3
297.03955	1.8
298.04532	5.1
299.04977	10.3
300.05621	8.1
301.06146	9.2
327.05154	17.4
328.05493	15.5
329.05682	53.3
330.05908	2.6
341.05585	2.2
357.06213	3.1
358.06512	3.4
359.06714	16.8
371.06708	1.7
372.12115	0.9
389.21838	36.1
390.22104	4.5
449.09689	18.8
449.14896	2.5
449.23361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52642	0.6
69.53050	1.4
73.51677	0.3
78.95480	0.4
78.95913	5.1
96.96028	0.9
110.98544	3.7
118.11951	0.3
150.53264	0.3
167.01180	2.2
185.02216	3.6
224.63135	0.3
281.24881	100.0
282.25238	8.7
284.96246	0.3
449.26608	6.7
450.27264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2888
Annotation	Chaksine
Peak:m/z	Relative Intensity
54.54525	0.3
57.03443	0.4
58.34512	0.3
59.01382	2.7
61.98820	0.4
63.96234	0.5
66.09097	0.3
67.01880	0.4
70.98311	0.5
70.98690	0.6
71.01363	0.5
76.99290	0.3
79.95740	1.4
80.96542	0.3
83.05010	0.4
85.02931	1.0
87.00883	0.6
87.55691	0.3
93.03468	3.0
96.96017	15.5
97.06584	0.6
98.56022	0.3
101.02435	0.5
109.02948	0.4
111.00899	0.4
111.04513	0.4
117.03492	0.3
122.35207	0.3
133.02982	0.4
134.03741	1.1
135.04567	1.4
137.02466	0.4
141.09729	0.2
155.03476	0.5
161.02420	0.4
173.04568	4.8
174.03252	0.3
174.04857	0.5
177.12830	0.3
178.02586	0.4
183.13913	17.3
184.14238	1.2
191.05629	2.3
195.13916	15.7
196.14182	0.8
211.13354	0.7
213.14973	100.0
214.15317	5.7
223.13257	1.8
231.10207	0.9
235.13167	2.4
237.11168	1.3
253.13313	0.3
254.10353	0.3
267.12094	1.6
275.09244	3.0
276.09439	0.3
279.12173	2.0
329.05582	0.6
350.80371	0.3
351.07501	0.3
419.26736	0.8
431.26144	0.4
438.19089	0.3
447.26114	0.5
449.28687	26.2
450.28998	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	449.2912
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
55.93569	0.9
59.01391	13.9
61.98833	1.2
62.56448	0.8
65.36673	0.8
68.67718	0.8
69.03462	1.4
71.01399	2.6
71.55916	1.0
78.95879	1.0
93.03480	1.8
96.96037	5.1
104.12022	1.0
121.77836	0.9
139.54482	0.8
173.04561	2.9
275.09570	0.9
278.26559	1.0
315.26868	4.2
327.26886	8.9
328.27054	1.0
329.05780	0.9
343.30020	6.9
359.25977	2.5
361.31116	5.3
373.53894	0.9
387.29080	36.8
388.29388	4.9
405.30139	7.7
431.28058	14.0
432.28439	2.4
449.29141	100.0
450.29651	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	449.3277
Annotation	Coprocholic acid
Peak:m/z	Relative Intensity
59.01387	5.3
59.32043	0.9
61.98837	2.8
69.66098	4.6
71.01399	2.5
72.99299	0.9
78.95924	3.4
83.05019	0.9
92.28271	0.8
93.03465	3.0
96.96028	5.8
121.02953	0.9
133.03001	1.1
134.03770	1.3
152.99586	2.0
173.04543	4.2
191.05725	1.3
231.10405	0.9
261.07446	0.9
275.09344	1.6
329.05692	1.6
377.30563	3.2
387.32745	6.1
405.33780	43.9
406.34009	5.4
411.16800	0.8
449.09641	1.7
449.32828	100.0
450.33112	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	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85902	0.3
59.01387	3.6
60.01730	0.4
61.98836	100.0
70.89959	0.5
70.90299	0.5
71.01407	0.8
73.02943	0.3
85.02976	1.0
87.00902	0.3
89.02460	0.9
89.81071	0.3
93.03481	0.8
101.02441	0.7
101.44029	0.3
107.18895	0.2
109.02995	0.6
113.01569	0.2
113.02464	0.5
114.66312	0.3
126.75203	0.2
135.04555	1.1
137.02496	0.4
155.03560	0.4
159.04483	0.5
161.04482	0.4
173.04576	2.0
174.06477	0.3
179.03572	0.9
179.05704	0.3
187.07681	0.7
188.08015	1.0
191.05602	1.9
192.05986	0.4
231.10384	0.5
232.10559	0.4
275.09384	1.1
276.09570	2.6
353.08850	0.3
419.24982	0.3
451.17493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
64.26822	0.3
66.26799	0.3
69.68636	1.9
71.01373	0.6
72.30004	0.3
79.95766	2.6
85.02975	1.4
89.02477	0.5
93.03471	0.5
96.96024	100.0
97.95909	0.3
98.19928	0.3
115.36129	0.3
118.10090	0.3
121.72517	0.3
127.03996	0.4
135.04515	0.9
135.68240	0.3
160.03984	0.5
173.04562	0.8
178.04251	0.3
179.03465	0.6
191.05637	22.3
192.05980	0.9
260.97223	0.5
340.76309	0.3
353.08768	3.1
389.01251	0.3
451.05991	0.4
452.26495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92532	0.3
52.12501	0.2
52.14681	0.2
57.03454	0.3
59.01390	1.4
61.44911	0.2
62.33707	0.2
67.19337	0.2
69.89872	1.2
71.01399	0.4
74.89792	0.3
79.95745	2.4
80.43816	0.2
85.02965	0.6
93.03459	0.7
96.96021	100.0
101.02441	0.2
113.02496	0.2
116.92893	0.4
133.03004	0.3
135.04529	1.1
161.04619	0.3
173.04543	1.7
179.03516	1.1
191.05650	1.0
219.20619	0.3
353.08871	1.1
367.44781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65626	1.0
69.66030	0.6
78.53928	0.3
79.95744	1.7
96.96021	100.0
97.95953	0.3
98.19914	0.5
113.13101	0.2
121.72255	0.3
131.35583	0.3
135.04510	0.6
179.03487	0.5
191.05641	1.2
195.44073	0.2
216.98122	0.3
221.20741	0.2
241.08672	0.4
353.08704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96585	0.7
59.01379	2.3
67.01889	0.8
71.01387	2.0
75.00871	0.7
78.95920	2.3
85.02958	8.3
87.00877	0.8
88.52122	0.7
93.03475	6.3
96.96024	57.7
96.96991	1.5
108.90204	10.2
109.02991	0.9
111.00880	0.8
111.04533	1.0
123.00664	0.7
127.03977	1.3
134.03734	1.2
135.04527	9.4
137.02435	1.1
145.87546	0.8
155.03526	1.0
156.94923	0.6
161.02431	2.3
173.04568	12.0
177.08932	0.7
179.03522	9.7
180.03690	0.8
191.05635	100.0
192.05983	4.3
192.42177	0.6
201.10385	1.5
203.08167	0.9
205.28017	0.7
231.96504	0.7
241.05440	2.1
353.08792	26.4
354.09219	2.9
407.14932	2.2
451.08905	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	451.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45510	0.4
55.01897	0.6
57.03459	0.6
59.01389	4.7
61.98834	0.8
65.03988	0.7
67.01891	1.0
69.03468	1.9
71.01399	3.3
73.02951	1.2
75.00880	0.5
79.01907	0.7
81.03455	0.9
83.01403	1.6
83.05038	0.6
85.02977	2.3
87.00878	1.0
88.37011	0.5
89.02462	1.5
93.03471	44.6
94.03787	2.6
95.01405	1.5
97.02962	1.7
99.00911	0.4
101.02459	1.3
107.01447	1.1
108.02204	1.1
109.02952	1.3
111.00881	0.6
111.04501	1.1
113.02479	2.2
117.01938	1.1
119.03562	0.6
121.02959	0.8
123.00011	0.6
123.00896	9.4
123.04530	0.7
124.01682	20.6
125.02468	36.1
126.02801	0.8
133.02985	0.9
134.03842	2.3
135.04379	1.0
136.01669	1.2
137.02461	60.4
138.02817	2.2
139.04048	0.5
149.02489	0.6
149.99603	30.8
151.00377	3.4
151.04041	0.8
155.03615	0.5
161.02493	1.0
161.04564	0.9
162.03265	1.0
163.03741	0.8
164.03737	0.6
165.01956	0.5
167.03534	1.7
168.00662	71.1
169.01396	8.6
173.04576	5.8
174.04893	2.7
175.05125	2.6
178.02657	0.8
179.03578	0.9
183.04564	0.9
191.05573	1.0
192.05994	0.6
192.64426	0.4
193.06114	0.4
201.14983	1.1
211.02606	0.5
227.03502	5.4
233.11069	0.5
275.09384	2.9
276.09644	2.1
277.09811	3.6
313.05682	20.9
314.06223	1.6
331.06741	36.1
332.07129	2.0
351.20367	1.8
406.17874	0.4
438.74127	0.5
451.08865	100.0
451.21967	2.2
452.09152	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	451.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61250	0.7
56.43018	0.6
59.01373	1.4
61.55249	0.7
61.98825	1.3
63.40674	0.7
71.01392	9.0
96.96041	2.2
99.00926	1.0
99.92597	27.4
100.92683	1.1
100.93390	4.0
115.92091	100.0
116.92119	5.0
116.92870	67.4
117.92877	3.2
144.95996	1.4
148.84564	0.7
149.94138	0.8
172.95491	36.3
173.95508	1.5
277.21716	1.9
281.23865	1.3
296.38898	0.7
315.27026	2.2
389.30566	1.4
433.16708	1.0
451.17859	4.0
451.30862	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	451.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.0
58.00598	1.4
59.01386	95.6
60.01720	1.7
61.98838	15.1
63.43087	1.1
67.01899	1.3
68.99809	2.6
69.03452	2.4
71.01006	1.4
71.01391	27.3
71.56502	1.1
72.79462	0.8
72.99323	7.2
73.02965	4.7
75.00880	20.5
78.27363	0.9
79.95718	1.9
81.03474	1.9
83.01385	2.1
84.02199	1.0
85.02454	1.9
85.02960	30.7
86.03278	1.3
87.00892	8.3
89.02462	8.3
91.04009	0.8
93.03480	6.6
95.01398	7.7
96.96022	72.7
97.02950	1.0
99.00883	12.7
99.92567	1.3
101.02464	5.1
102.13578	1.0
103.00355	2.8
108.02204	1.6
109.02930	2.6
111.00892	2.2
112.90687	0.9
113.02465	31.8
114.02778	1.2
115.00359	3.2
115.92056	1.8
116.92900	4.2
117.01942	2.9
119.03479	1.3
123.08168	2.4
129.01901	2.9
131.03494	1.3
135.04552	5.0
137.02435	3.9
139.00368	0.9
150.03215	1.1
153.01961	5.3
154.02821	1.1
157.01389	1.6
161.02394	1.2
161.04474	1.4
165.01900	0.9
168.04311	1.9
173.04514	4.7
173.25522	0.9
175.02458	3.5
179.03519	2.0
181.58763	0.9
191.05629	10.7
192.05841	1.1
195.06564	1.3
201.11353	9.9
202.11841	1.1
205.07079	2.2
219.46049	0.9
223.08110	1.0
231.05017	2.8
249.06166	60.7
250.06418	1.8
267.07257	14.5
281.06726	1.0
291.07285	2.6
297.60794	0.9
309.08264	26.1
310.08710	1.6
328.14307	0.9
353.08621	1.5
388.17004	4.2
396.30917	0.9
433.17160	8.0
451.13141	3.8
451.18112	100.0
452.18594	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	451.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
58.00597	1.4
59.01387	100.0
60.01711	2.6
61.98838	28.3
69.03465	1.3
71.01388	20.4
71.56469	1.4
72.01722	1.7
72.99315	3.0
73.02962	7.2
75.00897	2.9
82.95419	3.0
83.01416	2.8
85.02964	12.6
87.00908	3.5
87.02734	1.7
87.04517	1.7
89.02464	13.7
92.52946	1.2
93.03487	4.3
96.96016	4.3
97.02920	1.4
99.00910	2.2
101.02457	14.5
107.85248	1.2
109.02957	2.8
110.45194	1.2
111.00938	2.2
111.04552	1.1
113.02480	10.6
113.06171	1.4
116.92918	3.1
119.03513	5.2
123.00887	1.4
125.02399	1.3
134.03763	1.6
135.04538	8.6
137.02478	1.4
143.03528	2.3
148.94276	1.5
153.01904	2.3
155.03467	1.3
161.02498	1.5
161.04585	5.1
173.04562	9.8
173.05930	2.0
174.04939	2.5
179.03534	3.4
179.05624	2.9
187.07736	1.6
187.13394	6.2
189.08134	1.4
191.01952	1.5
191.05621	10.8
192.05933	1.4
201.09430	1.3
205.04982	1.9
212.57263	1.1
249.06137	2.3
275.09323	3.7
276.09555	3.5
277.09894	5.3
289.19992	1.6
331.17664	11.3
349.18585	7.8
388.17001	2.5
391.19736	6.3
451.17093	5.3
451.22504	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	451.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72392	0.5
70.70973	1.2
75.72668	0.4
78.95912	13.0
82.52628	0.4
96.74724	0.6
96.96027	1.3
98.95632	0.7
110.98540	9.8
118.69969	0.4
142.98999	0.4
165.26265	0.5
167.01164	10.7
167.02507	1.0
185.02228	2.4
191.36336	0.5
277.35492	0.4
283.26456	100.0
284.26794	8.1
337.50284	0.5
451.28369	19.5
452.28683	3.0
463.83652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30034	0.1
55.01852	0.2
57.03481	0.1
57.27770	0.1
57.56110	0.1
58.02979	0.3
59.01389	1.3
60.32196	0.1
61.98828	0.4
66.03483	0.1
69.03443	0.3
69.25248	1.2
71.01395	0.5
72.83060	0.2
73.02948	0.3
80.05061	0.3
81.03466	8.4
82.06619	0.2
83.01392	0.3
83.05035	23.8
84.05376	0.5
85.02952	0.9
86.03304	0.2
87.00898	0.4
89.02457	0.2
93.03463	2.0
94.03792	0.2
95.01391	0.3
97.02967	0.2
100.07720	0.3
101.02502	0.2
107.06177	0.6
108.02213	0.4
108.04580	0.9
109.02972	0.3
111.04530	0.3
113.02477	0.2
114.57417	0.2
121.13533	0.1
123.00899	1.2
124.01691	2.4
125.02468	4.8
125.07219	3.1
126.05621	0.4
135.04515	0.4
136.01704	0.2
137.02444	2.3
143.08308	1.4
149.99599	4.4
151.00313	0.3
151.04031	0.2
155.03506	0.2
167.03493	0.2
168.00659	8.1
169.01451	0.7
173.04581	1.1
173.05910	0.3
174.04887	0.4
174.06451	0.1
175.05064	0.4
187.03911	0.2
187.07671	1.3
188.08029	0.8
189.08321	0.4
191.05621	2.5
192.06001	1.3
193.06082	1.4
202.06317	0.5
203.06540	0.3
204.06923	0.3
207.15050	3.2
208.13567	0.2
208.15347	0.3
213.09270	0.2
214.09575	0.2
215.07146	0.2
216.07445	0.3
224.12753	0.1
224.17694	4.4
225.16089	11.9
226.16502	0.7
229.08691	0.2
231.10255	0.6
232.07054	0.2
232.10632	0.6
233.10873	0.5
242.18759	1.6
250.15645	0.3
253.53944	0.2
257.08298	0.1
258.08536	0.2
259.09036	0.3
268.16769	0.2
272.60550	0.2
275.09381	0.8
276.09641	0.6
277.09732	1.2
281.06732	0.5
290.22488	0.3
294.04556	0.2
307.24002	0.3
309.21893	0.5
310.21973	0.2
313.05762	0.3
324.26523	1.5
331.06766	1.2
333.23016	4.3
334.23422	0.5
339.27603	0.4
351.24002	0.9
367.27136	1.2
380.98914	0.2
433.31873	5.1
434.32434	0.8
451.08878	12.9
451.32922	100.0
452.09390	1.7
452.33224	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	452.2786
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
54.44630	0.2
63.62186	0.2
70.71509	0.4
78.36969	0.2
78.95918	19.2
87.55763	0.2
93.15696	0.2
96.96961	0.4
104.27166	0.2
104.97447	0.2
122.00152	0.7
123.46568	0.2
134.98456	0.2
140.01215	4.8
152.99564	1.6
155.60263	0.2
166.02710	0.3
171.00710	0.2
196.03813	9.1
214.04919	1.9
221.44994	0.2
255.23323	100.0
256.23651	7.2
391.22800	0.2
452.27872	23.9
453.28076	2.9
453.33313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64554	0.8
57.03451	1.0
59.01382	12.5
61.98848	1.3
64.83430	0.8
70.97777	1.7
71.01389	16.4
72.99313	1.5
73.02957	3.4
75.00888	2.3
79.95761	1.4
81.95310	1.1
83.01426	1.6
85.02975	8.0
87.00896	1.6
87.04536	4.4
89.02451	12.3
93.03433	1.6
93.87146	1.0
95.01407	0.9
96.96019	58.6
97.02950	1.4
97.95992	1.6
98.95598	67.0
98.96435	11.8
99.00871	2.5
99.92595	34.7
100.92670	1.8
100.93379	4.9
101.02455	8.6
109.02917	1.3
111.00918	1.0
113.02455	5.4
115.92090	51.2
116.92123	2.0
116.92866	6.9
119.03535	1.7
123.00854	1.0
123.04475	1.6
125.02457	2.1
131.03487	2.9
133.02975	1.9
134.03738	5.3
135.04565	10.5
137.02460	1.6
141.09218	1.0
149.04555	4.6
152.92633	0.9
157.11935	1.0
160.04048	3.4
160.82123	0.9
161.02464	2.1
161.04538	4.7
165.01930	1.2
173.04523	2.6
176.98216	0.9
179.03569	7.8
191.05638	9.6
192.06032	2.5
193.06145	2.5
210.97078	1.7
215.95152	3.9
216.95949	6.3
217.96761	12.5
218.97560	40.6
219.94762	1.0
219.97607	4.4
220.95584	1.2
231.94577	2.0
233.06613	1.1
244.95450	3.9
260.94778	1.3
261.95731	2.8
262.96536	100.0
263.96713	10.9
267.07227	1.1
293.08600	2.3
307.08176	1.7
321.15500	5.6
373.00220	10.7
374.00256	2.8
391.01282	44.5
391.61194	1.2
392.01517	5.8
416.72064	1.0
417.14093	3.0
434.99976	1.3
453.01163	2.3
453.19379	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	453.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37545	1.2
59.01387	1.9
59.36985	1.1
61.96918	1.1
65.01358	1.3
71.01391	2.2
71.11819	2.7
74.45924	1.3
79.95778	1.7
81.95324	1.9
85.02975	1.8
92.02602	1.4
96.96025	98.8
97.95973	2.9
98.95603	99.6
98.96438	16.1
99.92593	31.8
100.92630	2.4
100.93368	4.6
101.06126	1.3
115.92092	52.3
116.92113	2.7
116.92870	4.7
119.05082	1.7
133.02975	4.0
134.03786	6.1
135.04570	11.5
135.30324	1.3
161.02490	3.3
173.04535	2.9
175.78734	1.4
179.03539	8.8
191.05730	1.9
209.65826	1.2
215.95238	1.7
216.95990	5.0
217.96767	12.9
218.97581	42.4
219.94696	1.6
219.97734	3.9
222.58325	1.3
234.96999	1.6
244.95549	2.8
261.95709	4.1
262.96539	100.0
263.96692	8.5
284.70465	1.5
307.08109	2.2
330.02731	1.4
358.15967	1.5
373.00317	14.9
374.00269	1.8
391.01300	40.6
392.01581	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	453.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49524	0.9
56.98582	1.0
59.01380	7.9
61.98835	11.9
66.17384	1.0
67.47882	1.0
71.01383	4.9
73.02959	1.3
83.01414	1.5
84.95689	1.0
85.02958	3.6
89.02437	2.0
93.03453	1.6
96.96044	2.0
101.02453	3.8
109.02974	3.8
111.00948	1.1
113.02460	2.4
120.99610	0.9
121.02968	1.4
125.02410	3.3
126.22427	1.1
126.58469	1.1
129.02028	1.1
133.02972	11.1
134.03741	1.6
134.85275	1.2
135.04520	4.2
139.00349	1.4
139.59761	0.9
149.02425	1.2
151.00401	1.3
151.03986	1.2
161.02457	2.9
162.18921	0.9
163.00395	1.7
163.04056	3.3
165.01982	1.8
173.04527	2.4
175.03989	3.5
177.01935	1.4
179.03551	2.3
190.02751	1.1
191.03511	2.0
193.01399	2.0
195.05048	1.4
199.03990	1.4
225.05653	1.6
232.07484	1.0
255.02783	1.6
284.03204	10.3
285.03976	7.3
297.04099	14.8
297.71191	1.2
298.04849	11.3
298.82861	1.0
299.05643	19.9
309.04083	1.3
311.05661	2.0
321.19223	1.3
327.05118	100.0
328.05624	7.8
328.08923	1.4
339.05118	3.5
357.06207	17.4
357.10397	2.0
358.06458	1.7
381.06232	1.7
411.03629	1.3
417.08282	95.7
418.08569	10.8
453.12891	2.0
453.23386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49524	0.9
56.98582	1.0
59.01380	7.9
61.98835	11.9
66.17384	1.0
67.47882	1.0
71.01383	4.9
73.02959	1.3
83.01414	1.5
84.95689	1.0
85.02958	3.6
89.02437	2.0
93.03453	1.6
96.96044	2.0
101.02453	3.8
109.02974	3.8
111.00948	1.1
113.02460	2.4
120.99610	0.9
121.02968	1.4
125.02410	3.3
126.22427	1.1
126.58469	1.1
129.02028	1.1
133.02972	11.1
134.03741	1.6
134.85275	1.2
135.04520	4.2
139.00349	1.4
139.59761	0.9
149.02425	1.2
151.00401	1.3
151.03986	1.2
161.02457	2.9
162.18921	0.9
163.00395	1.7
163.04056	3.3
165.01982	1.8
173.04527	2.4
175.03989	3.5
177.01935	1.4
179.03551	2.3
190.02751	1.1
191.03511	2.0
193.01399	2.0
195.05048	1.4
199.03990	1.4
225.05653	1.6
232.07484	1.0
255.02783	1.6
284.03204	10.3
285.03976	7.3
297.04099	14.8
297.71191	1.2
298.04849	11.3
298.82861	1.0
299.05643	19.9
309.04083	1.3
311.05661	2.0
321.19223	1.3
327.05118	100.0
328.05624	7.8
328.08923	1.4
339.05118	3.5
357.06207	17.4
357.10397	2.0
358.06458	1.7
381.06232	1.7
411.03629	1.3
417.08282	95.7
418.08569	10.8
453.12891	2.0
453.23386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90668	1.1
57.03455	1.5
58.00599	3.4
59.01385	96.4
61.98845	9.0
69.18536	10.3
69.18951	2.7
71.01389	60.3
72.01750	1.1
72.99307	4.0
73.02961	7.4
77.08130	1.2
83.01462	2.5
85.02957	13.7
87.00880	3.9
89.02454	100.0
93.03465	7.5
95.01392	3.1
97.10520	1.3
98.19930	2.6
99.00895	2.2
101.02455	37.2
107.43127	1.0
113.02466	18.5
119.03512	25.9
120.99638	4.8
125.02469	2.9
129.01955	1.5
131.03525	18.0
135.04587	1.7
137.02473	15.3
143.03528	5.5
149.04575	50.5
161.04559	6.3
173.04546	3.1
179.03328	1.3
179.05637	25.1
180.04350	1.5
191.05594	6.9
195.05135	1.9
195.06694	1.9
201.37440	1.2
225.22495	1.3
225.29547	1.4
232.87698	1.3
261.13437	12.9
393.17682	41.4
394.17993	3.7
408.96658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
57.03440	3.3
59.01385	66.3
61.98837	10.5
69.29251	16.0
71.01390	49.8
72.88961	1.7
72.99310	3.9
73.02962	15.4
73.51787	1.9
75.00875	4.0
76.04499	1.8
83.01395	9.6
85.02959	32.6
87.00880	3.6
89.02467	11.3
90.83454	1.9
93.03462	4.3
94.98074	2.6
95.01411	2.9
96.95996	4.3
97.02980	1.8
98.20710	3.6
99.00873	9.4
101.02455	48.0
109.02915	2.0
111.00879	4.0
113.02460	26.3
115.04044	2.5
119.03516	3.1
121.00585	1.9
121.02966	4.8
125.02444	1.9
135.04491	2.9
159.03008	5.8
160.81105	1.9
161.04585	20.8
173.04620	4.1
179.03510	2.8
180.04225	2.4
183.76198	1.7
191.05560	5.3
192.05957	2.4
204.04294	1.9
223.06175	2.5
240.62837	1.9
249.06093	5.0
261.13455	100.0
262.13745	6.7
265.07050	2.4
302.69165	2.0
325.09354	3.4
371.09793	6.0
393.17691	76.2
394.17984	7.2
453.18234	6.9
453.23337	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	453.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03455	10.2
58.00599	3.7
59.01386	61.7
60.99323	1.1
61.71508	1.1
61.98825	2.0
62.95954	0.9
65.93597	1.0
67.01907	1.6
68.95797	1.0
69.03472	4.4
69.70547	4.4
69.70954	1.5
71.01389	100.0
71.05032	6.5
72.01742	2.1
72.99319	4.4
73.02950	20.5
74.99110	1.0
75.00889	4.0
79.95749	1.2
81.03486	2.2
82.95446	2.0
83.01390	10.9
83.05029	1.5
84.95141	1.8
85.02956	38.2
87.00885	4.7
87.04523	50.1
88.98807	4.1
89.02455	78.9
93.03465	6.2
95.01413	4.7
96.96024	34.5
97.02962	5.7
97.95955	1.1
98.20567	1.2
98.95607	41.9
98.96436	5.6
99.00907	8.2
99.92599	11.0
100.93372	1.4
101.02455	54.0
102.02828	1.2
104.88570	1.1
109.02962	1.5
111.00874	2.3
111.04558	1.8
113.02466	28.9
113.06097	1.1
115.92091	22.3
116.92879	3.9
119.03515	6.9
119.05016	1.3
120.99649	1.1
121.03008	2.2
123.04543	14.7
123.08145	2.2
125.02463	14.7
129.02008	2.1
131.03525	17.1
132.02200	1.5
133.02992	2.6
134.03770	1.7
135.04539	4.3
137.02473	10.3
141.09222	3.5
143.03513	5.7
149.04581	23.6
149.05840	1.7
155.03516	1.0
159.03023	2.7
159.10283	5.3
161.02460	3.9
161.04568	21.5
161.62897	1.0
165.01920	2.5
173.04558	4.8
175.04074	1.1
179.03514	3.8
179.05658	1.7
191.05637	13.6
193.04973	1.1
195.06595	2.0
210.96997	1.5
215.95160	3.0
216.95998	14.7
217.96715	3.5
218.97528	7.7
219.94753	1.2
220.95427	1.8
221.07945	1.0
233.06685	5.8
243.94699	1.3
244.95462	9.1
260.94974	1.1
261.95764	3.5
262.96558	13.5
284.98703	1.1
285.09836	7.9
293.08826	4.6
304.97729	3.1
307.08203	1.5
314.96082	1.2
321.15561	54.4
322.15912	4.0
373.00211	6.7
374.00266	1.4
391.01300	26.1
392.01474	2.8
417.14066	42.8
418.14407	3.1
453.14157	1.7
453.19684	19.5
454.19955	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	453.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03455	10.2
58.00599	3.7
59.01386	61.7
60.99323	1.1
61.71508	1.1
61.98825	2.0
62.95954	0.9
65.93597	1.0
67.01907	1.6
68.95797	1.0
69.03472	4.4
69.70547	4.4
69.70954	1.5
71.01389	100.0
71.05032	6.5
72.01742	2.1
72.99319	4.4
73.02950	20.5
74.99110	1.0
75.00889	4.0
79.95749	1.2
81.03486	2.2
82.95446	2.0
83.01390	10.9
83.05029	1.5
84.95141	1.8
85.02956	38.2
87.00885	4.7
87.04523	50.1
88.98807	4.1
89.02455	78.9
93.03465	6.2
95.01413	4.7
96.96024	34.5
97.02962	5.7
97.95955	1.1
98.20567	1.2
98.95607	41.9
98.96436	5.6
99.00907	8.2
99.92599	11.0
100.93372	1.4
101.02455	54.0
102.02828	1.2
104.88570	1.1
109.02962	1.5
111.00874	2.3
111.04558	1.8
113.02466	28.9
113.06097	1.1
115.92091	22.3
116.92879	3.9
119.03515	6.9
119.05016	1.3
120.99649	1.1
121.03008	2.2
123.04543	14.7
123.08145	2.2
125.02463	14.7
129.02008	2.1
131.03525	17.1
132.02200	1.5
133.02992	2.6
134.03770	1.7
135.04539	4.3
137.02473	10.3
141.09222	3.5
143.03513	5.7
149.04581	23.6
149.05840	1.7
155.03516	1.0
159.03023	2.7
159.10283	5.3
161.02460	3.9
161.04568	21.5
161.62897	1.0
165.01920	2.5
173.04558	4.8
175.04074	1.1
179.03514	3.8
179.05658	1.7
191.05637	13.6
193.04973	1.1
195.06595	2.0
210.96997	1.5
215.95160	3.0
216.95998	14.7
217.96715	3.5
218.97528	7.7
219.94753	1.2
220.95427	1.8
221.07945	1.0
233.06685	5.8
243.94699	1.3
244.95462	9.1
260.94974	1.1
261.95764	3.5
262.96558	13.5
284.98703	1.1
285.09836	7.9
293.08826	4.6
304.97729	3.1
307.08203	1.5
314.96082	1.2
321.15561	54.4
322.15912	4.0
373.00211	6.7
374.00266	1.4
391.01300	26.1
392.01474	2.8
417.14066	42.8
418.14407	3.1
453.14157	1.7
453.19684	19.5
454.19955	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	453.2134
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01871	1.6
57.03447	1.5
58.00589	1.6
58.04586	0.8
59.01386	76.5
61.98835	3.3
66.14785	0.9
69.03451	1.3
70.53532	3.4
71.01391	37.7
72.99298	2.1
73.02957	44.9
81.03438	1.2
83.01397	12.8
85.02959	7.3
87.00880	1.9
89.02442	7.8
93.03474	2.0
95.01394	2.5
96.96024	2.7
99.00913	2.3
101.02455	36.1
113.02463	11.4
119.03519	2.1
121.02961	1.2
125.02462	2.2
131.03502	1.7
133.00003	0.9
135.04509	1.6
143.03516	2.4
149.04601	1.1
161.04568	5.1
173.04550	1.7
174.04958	0.9
185.13423	1.1
190.43970	0.9
200.34261	0.9
210.50468	1.0
231.13892	13.1
233.15553	1.3
249.05455	1.2
249.14890	6.0
327.05038	1.1
367.21329	1.0
393.19308	8.7
394.19452	1.8
411.15323	1.8
411.20267	14.4
412.20572	1.3
451.82748	1.0
453.21313	100.0
454.21631	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	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	19.1
58.31826	9.9
59.01378	100.0
61.98832	41.5
69.03455	40.8
71.01398	47.8
71.56309	10.9
73.02921	14.2
73.24357	11.2
75.00874	11.8
80.28292	12.6
85.02943	29.4
89.02451	21.2
93.03456	38.0
96.84244	11.3
96.95985	14.6
98.02493	10.8
99.00897	15.0
100.56280	9.9
101.02450	27.8
112.14029	10.5
115.62804	11.1
116.92928	10.9
121.02975	26.0
125.02507	12.2
128.03539	35.4
132.02156	14.0
133.03012	19.4
134.03716	32.3
135.04523	42.7
137.02441	19.5
146.08192	20.5
152.56116	11.5
152.97530	12.8
159.03090	13.3
160.01665	26.9
161.02440	21.1
171.07852	16.0
173.04553	20.9
175.04021	44.8
177.04083	13.6
179.03568	17.6
191.05626	30.2
196.02582	22.4
277.12286	41.9
289.03268	14.6
327.05115	23.8
417.08276	27.2
440.51743	12.0
453.08008	35.9
453.17761	43.6
453.22675	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83334	6.4
59.01380	13.0
71.01397	14.4
71.55696	9.7
74.13962	6.6
89.02431	8.5
107.44715	5.5
238.71849	6.7
255.23343	100.0
256.23544	8.2
297.24481	16.4
323.69617	6.3
345.08768	6.4
453.33987	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	454.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
58.00611	0.7
59.01387	32.4
61.98826	1.9
63.41489	0.8
69.62735	5.1
71.01392	23.9
72.99326	1.3
73.02952	3.4
75.00864	1.4
81.03471	1.3
83.01403	1.7
85.02957	5.4
87.00860	1.9
89.02457	34.7
96.96004	1.0
98.20580	1.6
101.02464	14.0
108.02175	0.9
109.02973	1.4
111.04483	0.8
113.02462	3.1
119.03490	2.4
123.04561	1.6
125.02461	62.1
131.03514	10.2
135.04593	1.4
149.02519	2.2
149.04568	27.1
151.00342	2.9
152.01125	1.2
161.02472	1.0
163.07692	1.3
167.03525	1.0
175.04167	1.0
179.05606	1.1
190.02766	1.7
191.03514	21.1
191.05571	5.0
193.04993	1.2
203.03531	25.4
205.05223	0.8
205.08740	1.2
213.05661	0.9
229.05103	0.9
231.06683	5.0
235.05951	0.8
247.06142	8.7
249.07596	1.8
257.04568	1.6
275.05658	6.8
293.06699	100.0
311.07684	3.5
335.07605	1.4
377.16187	0.8
454.14111	1.4
454.20142	3.0
454.28238	0.9
455.07050	0.8
455.11975	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	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.7
61.98835	100.0
68.46736	0.6
69.21828	5.9
69.22235	1.4
74.01839	0.6
81.12299	0.7
96.96058	1.1
111.61282	0.6
119.05109	0.6
121.02950	0.8
233.15536	2.9
361.71793	0.7
393.10452	0.7
455.36490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
60.01709	0.3
61.98840	1.0
71.01388	2.0
71.56517	0.3
71.99098	0.2
72.99292	0.4
73.02962	0.6
75.00889	0.2
83.01389	0.3
85.02951	1.0
87.00896	0.5
89.02465	0.9
93.03464	0.7
95.01390	0.3
96.96009	2.1
96.96955	0.3
98.95595	0.7
98.96595	0.2
99.00890	0.7
99.92593	12.3
100.92617	0.6
100.93388	1.4
101.02461	1.0
103.00374	0.7
108.02232	1.1
109.02994	0.5
111.00871	0.4
113.02422	0.5
113.06071	0.3
115.92088	23.5
116.92870	100.0
117.92896	5.4
117.93725	0.2
119.05029	0.2
120.99638	0.3
125.02456	1.0
126.94942	0.2
134.03766	0.2
135.04547	0.5
137.02470	0.6
140.92856	0.5
141.93652	0.7
142.94456	0.6
146.06105	0.3
149.04591	0.3
152.01176	1.0
153.01904	0.4
156.92409	0.3
158.93936	0.4
160.01726	0.3
161.02399	0.2
164.04771	0.4
169.93027	0.3
173.04550	0.6
174.93410	0.6
179.03510	0.3
179.05589	0.2
184.91887	0.9
184.95375	0.3
186.93536	0.3
190.02765	0.4
191.01967	0.2
191.03629	0.2
191.05641	0.8
193.05223	0.3
196.95552	0.3
203.03502	0.4
205.05110	0.4
206.31944	0.2
231.06693	0.3
249.07541	0.3
250.04970	0.2
251.00305	0.3
255.11560	0.2
259.96213	0.2
275.09662	0.3
293.06631	0.6
295.08472	0.3
325.09399	0.4
333.00711	0.8
351.01724	2.9
352.02216	0.7
369.02844	3.0
370.03064	0.4
375.01837	0.2
381.02744	0.4
388.58463	0.2
393.02832	1.5
395.19308	0.3
396.54239	0.2
411.03934	3.4
411.20319	0.2
419.00635	1.1
454.19852	0.7
455.02902	6.6
455.11960	1.2
455.20447	0.4
456.02930	1.3
456.14575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0979
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
57.03446	0.4
59.01398	2.2
61.98822	0.5
62.96417	0.5
69.40145	1.9
69.40564	1.3
71.01386	1.5
74.99076	0.5
75.00881	0.9
78.95914	82.8
85.02956	1.8
85.03474	0.5
87.00891	0.9
87.04471	0.4
89.02453	1.1
92.84170	0.4
93.03446	1.0
96.96976	100.0
98.19857	0.9
101.02454	1.1
106.87962	0.5
109.02938	0.8
113.02481	0.8
116.92874	1.7
125.02444	1.0
128.03645	0.5
135.04533	1.2
137.02458	1.6
138.98039	4.0
144.08177	0.5
152.01138	0.5
158.91573	0.5
173.04562	1.3
177.05583	0.5
179.03510	0.6
184.08781	0.6
191.03717	0.7
191.05637	2.2
198.06688	1.6
199.00150	12.6
203.03584	0.6
212.08278	5.0
213.01718	11.1
241.07344	5.2
247.06155	0.6
255.08870	6.0
293.06747	3.2
339.60175	0.4
368.08188	0.8
372.57809	0.5
437.08679	0.5
455.09772	23.7
456.10031	3.1
474.74881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.5
59.01387	16.1
61.98851	2.1
64.36858	0.4
64.80253	0.4
65.00343	0.5
69.19930	4.2
71.01392	3.6
72.99293	0.8
73.02963	0.9
81.03475	1.1
83.01395	1.2
85.02959	1.3
85.74845	0.4
87.00885	1.1
89.02460	2.2
93.03477	0.9
95.01364	0.5
95.05054	0.8
96.95989	0.4
98.20667	0.9
101.01104	0.4
101.02457	1.7
107.01402	0.6
109.02982	0.7
113.02501	0.9
119.03558	0.9
121.06612	0.7
123.04540	1.5
125.02461	57.1
126.02803	2.2
132.02164	2.0
133.02974	27.8
134.03362	1.4
135.04541	8.9
137.02480	1.0
146.08301	0.6
147.04541	1.0
149.02443	1.8
151.00423	2.1
161.02461	96.0
162.02792	5.1
163.07646	1.7
165.05551	0.5
167.03561	1.2
171.24585	0.6
173.04510	1.1
179.03488	6.5
190.02719	1.6
191.03522	23.3
191.05399	1.4
192.03839	0.8
193.05135	0.9
203.03526	23.8
204.03893	1.5
205.08481	0.4
213.05507	0.9
215.14418	1.8
229.05045	1.1
231.06653	5.0
232.07034	0.7
247.06119	10.2
248.06497	0.9
249.07657	2.2
257.04590	2.1
275.05652	7.0
293.06696	100.0
294.06995	7.3
311.07773	4.6
319.04520	1.6
327.05243	0.8
353.00098	0.4
417.07977	0.6
455.09940	7.8
455.22827	0.7
456.10214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11108	0.5
57.03458	2.7
59.01382	9.5
61.98838	2.0
65.00313	0.5
71.01376	3.3
72.99342	0.7
73.02934	0.8
81.03468	1.0
83.01417	1.5
85.02942	1.0
87.00887	1.1
89.02471	1.1
93.03484	1.0
95.05041	0.5
96.96023	9.7
98.02460	0.6
99.04552	0.6
101.02450	1.0
108.02216	0.9
109.02982	0.7
113.02459	0.9
121.06594	0.9
123.04520	1.5
123.75082	0.4
125.02457	57.5
126.02772	2.2
127.05368	0.6
132.02158	1.6
133.02971	28.3
134.03409	0.5
135.04530	6.4
147.04494	1.3
149.02467	1.7
151.00404	2.0
152.01093	0.7
153.01979	0.8
161.02458	100.0
162.02794	5.3
163.07672	1.3
165.05560	0.9
167.03447	1.1
173.04593	1.2
175.04002	0.5
179.03491	6.0
190.02740	1.7
191.03522	22.9
191.05330	1.1
192.03838	1.4
193.05104	1.1
197.02776	0.4
203.03528	24.7
204.03888	1.2
205.05002	0.8
213.05540	0.7
229.05035	0.9
231.06612	5.3
247.03751	0.8
247.06142	11.5
249.07764	1.8
257.04651	1.4
275.05621	7.1
293.06696	97.0
294.07074	6.5
311.07727	4.0
316.48495	0.5
319.04724	1.3
455.09695	6.9
455.14899	0.4
456.09961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36015	0.5
57.03455	3.2
59.01389	4.9
62.84063	0.5
65.00355	0.6
71.01393	2.8
71.03616	0.9
72.99334	0.6
73.02969	0.6
81.03458	0.7
83.01399	1.7
85.02965	0.7
87.00890	0.8
89.02435	0.5
93.03494	0.6
95.05028	0.8
101.02467	0.9
105.03444	0.7
113.02544	0.6
121.03005	0.7
121.06625	1.1
123.04557	1.5
125.02462	59.5
126.02817	1.5
132.02222	1.2
133.02971	27.4
134.03333	1.2
135.04547	6.6
145.06615	0.5
147.04535	1.5
149.02473	1.0
149.06053	0.5
151.00409	1.7
159.04468	0.5
161.02467	98.6
162.02783	4.4
163.07684	1.2
165.05565	0.6
167.03508	0.6
179.03516	5.5
187.07602	0.5
190.02776	1.6
191.03539	22.4
192.03951	0.7
193.05080	0.7
203.03531	25.7
204.03838	1.3
205.08823	0.4
207.68633	0.5
213.05623	0.9
229.05058	0.7
231.04539	0.7
231.06647	5.6
232.06810	0.5
247.03741	0.8
247.06131	11.1
248.06474	0.7
249.07709	2.4
257.04593	1.8
269.08154	0.8
275.05603	5.7
293.06699	100.0
294.07025	7.0
311.07684	3.4
319.04535	1.0
411.11395	0.5
455.09857	6.9
455.23056	0.7
456.10132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
59.01390	3.3
65.00314	0.5
69.33716	2.0
69.34143	1.4
71.01397	3.2
73.02946	0.4
73.71255	0.4
76.72802	0.4
81.03461	0.9
83.01411	1.1
85.02967	0.7
87.00895	0.7
89.02464	3.3
90.02823	0.6
95.01396	0.5
95.05112	0.6
96.96073	0.6
98.24750	0.4
101.02435	0.9
107.01383	0.6
113.52664	0.4
121.06591	0.5
123.04531	2.2
125.02457	64.8
126.02809	2.0
137.02440	0.6
147.04489	1.5
149.02458	1.0
149.04553	1.7
150.04956	0.8
151.00375	2.4
162.29594	0.4
163.07637	1.7
165.05568	0.5
167.03488	1.1
173.04570	0.4
190.02737	1.5
191.03519	23.4
191.05376	1.1
192.03905	0.7
193.01555	0.5
193.05028	1.2
203.03520	26.2
204.03908	1.9
205.05122	0.7
213.05762	0.7
229.05080	1.0
231.06665	4.4
232.06813	0.4
247.06131	11.0
248.06335	0.8
249.07703	2.0
257.04587	1.1
275.05630	8.4
293.06689	100.0
294.07019	8.1
311.07764	4.1
335.07718	1.8
350.26044	0.4
406.86511	0.5
455.11945	16.5
456.12408	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68665	0.7
54.83398	0.6
55.01873	1.9
56.21430	0.7
57.03447	2.6
58.00617	0.9
59.01385	19.7
61.98844	1.0
67.01926	0.6
68.99840	1.6
69.03460	0.8
71.01389	18.6
71.56238	1.0
72.99323	5.0
73.02962	2.7
75.00881	21.7
83.01405	1.4
85.02962	23.2
87.00890	9.6
89.02460	5.0
93.03481	1.1
95.01406	7.3
99.00889	16.2
101.02441	1.8
101.06093	40.8
102.06462	1.5
103.00401	3.5
109.02900	0.9
111.00919	1.5
113.02459	35.4
115.00377	4.0
117.01950	5.1
121.02969	100.0
122.03300	3.4
129.01942	2.9
135.04546	0.7
157.01418	1.9
161.06108	0.7
173.04584	1.1
175.02518	5.7
175.03885	1.3
193.03484	0.9
231.05128	1.5
238.64250	0.7
249.06184	10.0
267.09299	0.7
269.08188	1.0
295.08569	1.0
333.11990	6.1
353.08752	2.9
365.17468	0.7
371.09854	6.3
437.14673	1.3
455.15628	64.6
456.16040	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	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03706	0.6
57.03457	100.0
58.03787	1.0
59.01387	98.5
60.28811	0.6
61.61903	0.6
61.98834	1.2
64.85602	0.6
70.84997	1.5
71.01391	3.5
73.02969	1.1
78.95934	0.9
81.03466	3.8
85.02961	2.5
85.62457	0.5
87.00881	0.7
89.02457	0.8
93.09840	0.6
93.23519	0.6
99.00883	0.8
99.04533	95.1
100.04875	2.6
101.02455	16.7
113.02435	1.9
125.02464	38.4
126.02767	1.4
129.01927	0.6
133.02936	1.0
135.04512	0.8
143.03465	1.9
160.01665	0.6
161.02477	3.8
161.04547	1.5
164.39487	0.6
173.04572	0.7
179.03552	0.8
191.03482	1.2
193.05128	0.7
195.21393	0.6
203.03412	0.7
216.38806	0.6
246.52945	0.5
263.09344	0.5
269.10220	2.5
275.05423	0.7
278.68771	0.7
293.06625	3.1
311.11346	1.3
327.05090	1.2
417.07922	0.9
455.15701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57310	1.2
55.01872	3.6
57.03444	5.4
58.00594	1.8
59.01388	48.4
59.19592	1.2
60.78859	1.4
61.98830	2.9
69.03490	1.8
69.41404	2.5
69.41817	7.9
71.01392	67.3
72.99316	3.5
73.02958	21.2
75.00862	1.8
83.01400	12.7
85.02963	32.0
87.00868	3.8
89.02454	14.1
93.03448	2.4
95.01389	4.5
96.96005	2.9
97.02989	1.4
97.06635	2.8
99.00899	8.5
101.02452	58.5
102.05603	1.9
107.98357	1.2
109.02948	5.8
111.00877	4.8
113.01728	1.6
113.02454	22.8
115.00331	2.3
119.03501	5.6
119.05025	1.5
121.02966	17.8
125.02465	3.4
127.00314	2.1
128.03546	1.5
129.01978	2.1
132.02191	1.5
133.02945	2.2
135.04520	5.4
143.03497	3.9
145.01506	1.3
145.12341	2.5
147.04518	4.8
149.06158	1.6
159.03027	6.4
159.04309	1.5
161.02435	2.9
161.04573	38.7
161.13367	1.9
162.04887	1.7
163.04103	2.0
170.44595	1.5
173.04541	4.6
179.03497	2.8
181.60120	1.3
187.11234	4.1
191.03560	1.3
191.05609	3.7
205.03575	1.5
205.12326	2.0
223.08163	2.4
241.05103	1.4
242.05913	1.3
254.05824	1.5
267.06757	2.8
268.07379	2.2
269.08282	14.9
270.09027	2.4
307.17645	100.0
308.18073	6.0
327.05014	1.6
447.28497	1.4
450.67126	1.5
455.13467	3.0
455.19000	16.3
455.35193	3.7
456.18994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03445	3.2
58.00600	1.6
59.01388	58.9
60.45819	0.9
61.98826	1.3
69.45574	2.5
69.45993	4.3
71.01388	58.1
72.99313	2.7
73.02956	21.0
74.03283	0.9
75.00902	1.4
76.13834	0.8
83.01398	11.8
85.02958	28.0
87.00887	3.0
89.02448	13.3
93.03474	1.5
95.01418	5.3
96.96019	1.9
97.02963	1.0
97.06655	0.9
98.19868	1.5
99.00883	9.5
101.02454	49.9
102.68142	0.9
109.02930	1.1
111.00906	3.2
111.04583	0.8
112.03624	1.0
113.02462	22.2
119.03515	5.4
120.52621	1.2
121.02964	20.2
125.02459	2.5
129.01955	1.2
143.03494	3.1
145.12411	1.1
159.03006	7.8
161.04579	36.4
173.04538	2.9
179.03482	1.6
179.05624	1.5
191.05516	1.6
251.06834	1.0
307.17645	100.0
308.18015	7.9
348.21960	1.0
351.16742	2.0
455.19058	24.3
456.19452	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	455.2656
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03457	1.8
58.00600	1.6
59.01385	38.2
61.98832	1.5
71.01012	1.6
71.01392	22.8
71.55866	1.4
72.99319	3.1
73.02948	1.9
76.18044	1.0
77.64408	0.9
79.95744	1.3
83.01395	1.5
84.07025	1.1
84.47617	0.9
85.02962	6.3
85.67481	1.0
88.98799	2.1
89.02452	18.4
95.01401	1.7
96.96004	2.3
97.84409	0.9
99.00887	1.0
101.02457	12.2
111.08152	1.1
113.02464	8.5
119.03497	6.7
121.02977	3.9
171.10223	1.1
177.82475	1.0
193.08421	1.2
218.61845	1.0
233.77005	0.9
235.51086	0.9
275.20169	5.0
293.21274	23.3
294.21445	2.2
311.04453	1.0
344.04904	1.0
455.26538	100.0
456.26941	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.11570	0.2
57.03463	0.3
58.80940	0.2
59.01419	0.3
71.57593	0.3
84.11440	0.2
90.86269	0.3
95.68241	0.3
123.28452	0.3
129.01990	0.3
277.21786	0.3
367.77475	0.3
407.33337	1.3
411.32748	1.2
412.32907	0.4
455.35486	100.0
456.35803	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	455.3534
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.53592	0.3
69.53484	0.7
69.53903	1.6
76.15863	0.3
76.70782	0.3
77.78992	0.4
96.96031	0.4
97.19668	0.4
100.81979	0.3
118.81979	0.3
130.24774	0.3
137.06105	0.6
164.08449	0.5
269.53784	0.3
285.36014	0.4
357.28046	0.4
375.36411	0.8
411.32800	0.4
419.35645	0.4
437.36145	0.4
455.35349	100.0
456.35663	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	455.3538
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.13575	1.0
55.80272	0.9
59.01392	7.0
62.68952	1.2
71.47595	1.0
109.06627	2.8
129.14256	1.1
173.91461	1.1
318.47968	1.0
345.10709	1.1
351.32727	13.0
352.33719	1.2
353.28745	1.9
375.36438	1.4
395.30038	2.9
411.32727	9.6
439.07990	1.0
455.35608	100.0
455.40616	5.3
456.35941	15.0
456.41513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.7
57.09809	1.1
58.00605	2.5
59.01386	37.2
59.98481	1.4
61.98841	1.9
68.99824	4.6
69.03474	1.5
71.01389	25.7
71.78452	1.2
72.99332	3.8
73.02960	4.4
75.00874	2.1
81.03463	1.2
81.73168	1.2
83.01401	5.7
85.02965	14.9
87.00883	7.1
89.02456	23.9
93.03473	14.3
95.01398	2.6
96.96014	16.9
97.03020	2.2
98.20689	1.9
99.00877	7.8
101.02457	19.5
108.02167	1.8
109.02985	3.6
111.00899	4.4
111.04534	2.2
113.02461	17.0
113.99594	23.6
115.00375	11.4
119.03511	12.2
119.05051	6.1
121.02975	1.6
123.04543	3.0
123.08174	1.8
125.02438	2.0
127.00401	4.0
129.01952	3.6
129.07135	1.9
131.03461	1.9
131.07146	2.9
133.02974	2.1
133.06598	3.8
135.04568	6.2
137.02455	29.4
145.02919	2.8
147.04454	2.4
157.01434	6.6
161.02467	1.9
161.04593	2.3
161.06099	2.8
163.04059	2.1
169.01442	2.6
171.11905	1.3
173.04584	5.8
173.05959	2.2
174.01755	17.5
175.02505	3.0
175.03986	3.5
177.05580	2.0
179.03545	6.4
179.05641	3.7
189.12883	4.3
191.05656	11.6
193.06128	2.1
205.05104	6.8
215.06981	2.9
215.10759	2.0
217.05005	2.4
247.06148	3.9
265.12823	6.9
277.05518	37.9
277.10846	3.6
278.05908	2.1
294.06979	1.3
319.06766	2.9
337.07791	67.7
338.08160	3.5
341.08905	1.7
347.25934	1.2
353.09262	1.4
397.07858	5.6
397.17227	4.3
439.08450	2.1
457.09927	100.0
457.17154	48.8
458.10275	13.4
458.17569	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	457.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69030	3.0
55.24993	3.0
59.01390	26.7
60.99299	12.3
61.98829	9.2
67.01906	3.8
71.01400	22.6
71.55352	5.8
73.02959	3.3
75.00886	4.7
79.95764	3.3
83.05009	3.2
85.02980	21.9
87.00857	4.0
88.98824	100.0
89.02468	8.0
93.03477	29.1
96.96017	7.6
101.02446	8.9
109.02984	7.9
113.02472	9.3
119.01347	5.1
119.03558	5.2
119.05028	5.9
119.58760	3.4
134.03757	11.5
135.04567	16.7
137.02426	7.8
145.02980	7.1
147.01012	3.7
147.04547	3.3
149.02441	12.7
150.03365	4.0
151.03983	4.2
160.01711	4.2
161.02498	8.9
163.04010	8.3
164.04785	14.7
173.04575	65.3
175.00453	23.8
175.01727	4.8
175.04083	3.6
179.03487	12.1
179.07074	5.1
190.02716	55.5
190.55501	3.4
191.03299	5.0
191.05597	29.5
193.05045	12.2
205.05064	43.3
206.05565	6.0
208.03813	3.8
214.32980	3.5
221.08261	5.6
223.06137	22.7
237.07590	3.9
250.04588	3.6
265.07175	34.0
295.08191	15.1
325.09299	21.2
330.90808	4.0
365.60779	4.4
367.10327	25.6
427.12164	5.2
439.12277	4.3
457.16385	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81383	1.3
52.99154	1.1
54.71813	1.2
55.01888	2.8
57.03426	2.2
58.00591	2.9
59.01389	67.0
60.01696	1.3
61.98842	2.4
68.99803	2.1
69.03452	1.8
71.01392	42.7
71.55437	1.5
72.99300	4.9
73.02948	6.2
75.00904	1.7
78.46278	1.2
83.01378	4.7
83.05053	1.3
85.02963	25.0
87.00881	3.9
89.01933	2.6
89.02458	42.7
93.03473	12.5
94.93881	1.2
95.01384	3.9
96.96027	9.7
99.00893	5.7
101.02457	29.7
107.05013	1.5
108.02165	3.8
109.02950	3.7
111.00893	3.2
111.04487	1.7
113.02458	21.9
113.99592	12.1
115.00365	4.2
119.03518	16.9
119.04982	8.2
121.06602	1.8
123.04506	2.5
123.08160	5.8
125.02489	2.2
129.01932	3.7
129.07123	1.5
131.07133	3.4
133.02878	2.2
133.06555	2.4
134.03749	1.3
135.04536	5.9
137.02470	17.2
143.03502	3.3
145.02972	1.9
149.04529	2.3
149.05885	1.3
152.01225	2.0
157.01385	3.7
161.02473	2.2
161.04562	5.7
161.06084	2.7
163.03999	3.9
169.01448	1.6
171.11795	5.3
173.04535	7.2
173.06044	3.3
174.01753	9.5
175.02567	2.6
175.04022	3.5
177.05568	2.6
177.37628	1.3
179.03482	6.5
179.05577	5.0
189.12852	8.8
191.02007	2.2
191.05611	10.0
193.05104	1.3
196.02634	1.9
205.05113	6.8
209.03017	6.6
215.07205	2.0
215.10828	1.2
217.05122	1.2
233.08130	2.5
233.11858	2.0
247.06113	3.2
265.12918	12.5
277.05457	23.6
277.10391	7.8
295.07605	1.7
337.07779	37.5
338.07867	2.3
373.06824	1.3
397.07877	3.6
397.17172	8.3
413.18338	1.5
457.09918	48.6
457.17096	100.0
458.10568	5.1
458.17377	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	457.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15353	0.7
55.01875	1.3
57.03447	1.4
58.00598	1.6
58.28266	0.5
59.01383	100.0
60.01728	1.1
61.98838	3.2
67.01904	0.8
69.03445	3.3
71.01387	51.1
72.01710	0.8
72.99326	3.2
73.02948	7.9
81.03455	3.1
83.01373	4.0
85.02959	13.2
87.00897	2.6
89.02451	49.4
93.03476	4.0
95.01403	2.0
96.96061	0.8
97.02946	4.7
97.06617	0.6
97.85526	0.6
99.00906	1.4
99.04519	0.6
101.02448	12.7
109.03000	0.7
111.00901	1.9
111.04521	1.2
113.02459	11.4
119.03512	2.9
125.02446	17.2
126.02789	0.9
127.03971	0.6
129.01938	0.9
131.03505	11.1
133.02965	1.0
134.03770	0.6
135.04527	3.7
136.04042	1.0
137.02480	1.6
139.04066	0.6
143.03506	2.8
148.05316	57.4
149.04585	10.2
149.05722	2.2
150.05049	0.6
155.03549	0.9
161.02505	3.9
161.04636	1.8
162.02937	0.9
163.07666	26.3
164.07986	1.3
167.03540	0.7
173.04556	7.3
174.76752	0.6
175.04010	0.8
179.03423	2.8
191.05629	10.8
233.06627	3.0
236.10995	0.6
293.08954	5.3
294.07169	1.7
295.07379	3.1
367.95038	0.7
397.22427	1.2
415.23907	1.4
457.11255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03453	1.3
58.00588	2.9
59.01387	58.6
71.01394	28.1
71.04255	1.9
72.99312	3.0
73.02967	1.4
83.01398	2.2
85.02967	8.2
87.00874	1.5
89.02460	32.0
89.59035	0.7
93.03457	1.3
95.01396	3.0
96.96020	4.5
97.29194	0.7
99.00891	1.1
99.04558	1.1
101.02454	20.7
108.02202	0.9
109.02956	2.6
111.04529	1.8
113.02472	10.6
119.03516	13.7
119.05035	1.6
121.06622	2.5
123.08158	4.1
129.07147	1.1
131.03513	1.1
135.04552	2.8
140.68347	0.6
143.03526	1.3
147.08131	0.9
149.04527	1.2
149.05962	0.7
155.08691	0.8
161.04504	1.1
163.07616	0.7
169.10269	1.0
171.11789	3.2
173.04617	1.9
179.03485	1.2
179.05591	2.8
185.43405	0.8
189.05609	0.7
189.12874	8.8
191.05630	1.7
205.05031	1.3
215.10822	1.5
233.11847	1.9
277.10837	7.4
333.56305	0.7
337.08008	0.7
413.18399	1.0
457.17221	100.0
458.17575	11.3
458.23535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.2
57.03455	0.5
59.01385	100.0
60.01724	0.9
61.98861	0.3
69.03461	0.5
69.34689	2.1
69.35089	0.6
71.01389	10.7
71.41983	0.3
72.99320	0.8
73.02957	2.7
77.35847	0.3
78.95918	0.5
81.03445	0.4
83.01408	1.5
85.02959	9.1
86.03310	0.3
87.00885	2.7
89.02452	11.7
93.03481	0.9
97.02976	0.9
98.19892	0.5
99.00900	2.5
101.02454	9.0
101.03102	0.5
113.02471	4.1
115.04049	0.4
119.03516	1.4
121.03027	0.4
123.04548	0.8
125.02509	1.7
129.01985	0.6
131.03529	6.3
134.03757	0.7
135.04570	0.7
139.04089	0.5
141.05621	0.6
143.03540	0.7
149.02550	0.4
149.04561	4.8
151.04048	0.4
153.05531	0.3
160.01707	2.0
161.04562	0.5
163.04071	0.3
169.05006	0.3
173.04556	2.7
175.03992	2.1
190.02750	0.7
191.05612	2.8
193.05074	0.4
203.05745	0.7
205.05104	0.6
216.39201	0.3
233.06705	2.6
251.07716	1.4
267.09946	0.4
309.07721	0.4
320.74606	0.4
337.07092	0.3
397.14981	3.0
415.16226	2.5
416.16589	0.5
431.36646	0.3
454.47021	0.3
457.17911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58408	2.1
55.01879	3.5
57.03453	4.2
58.00593	3.0
59.01115	3.9
59.01390	71.2
59.23351	2.1
61.98838	4.6
64.16337	2.0
70.29353	8.3
71.01390	86.6
72.99314	5.3
73.02964	20.4
83.01398	7.9
85.02956	36.2
87.00883	8.2
89.02457	42.1
93.03471	6.2
95.01405	5.1
96.96028	23.8
96.96964	4.9
99.00879	10.7
99.09052	2.2
101.02460	51.0
103.00401	3.9
106.14387	2.3
108.02186	19.6
109.02959	3.5
111.00855	2.9
113.02462	32.6
115.00324	2.4
119.03543	16.0
119.05055	14.4
123.04514	18.8
123.08150	2.3
125.02532	4.1
131.03519	6.0
133.02965	5.2
133.06573	6.6
134.03760	3.4
135.04535	5.2
137.02402	6.5
143.03569	3.5
145.02962	4.2
147.04555	3.3
149.04544	4.3
149.06078	3.1
152.01135	3.8
152.21672	2.4
159.03058	4.9
161.04553	25.2
161.06068	6.4
163.03979	8.4
167.03502	4.1
173.04581	5.5
177.05634	4.2
179.03506	5.0
179.05542	6.1
189.12921	4.6
191.02017	3.8
191.05666	17.4
203.03397	4.4
205.05113	20.8
209.02991	6.7
233.08322	3.7
251.09264	2.9
265.12946	100.0
266.13101	4.6
277.10779	5.0
293.08963	3.0
337.07718	3.2
397.12027	5.2
397.17178	83.2
398.17532	6.2
457.17468	66.8
458.11411	2.6
458.17279	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	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03457	1.3
58.00594	0.6
59.01385	100.0
60.01735	0.4
61.98851	0.3
68.16204	0.3
69.03491	0.3
69.24198	0.7
69.24606	2.5
71.01392	14.8
71.05042	0.5
72.99315	0.7
73.02959	4.7
73.74014	0.3
78.38880	0.3
78.89567	0.3
80.80222	0.3
83.01381	2.0
85.02960	5.9
87.00899	1.3
89.00640	0.3
89.02457	9.8
89.03010	0.5
93.03484	1.2
95.01404	2.0
97.02985	0.4
97.06608	0.6
98.19942	0.8
99.00911	0.9
99.04563	0.3
101.02459	9.3
109.02983	0.6
109.34250	0.3
111.04539	0.4
111.40316	0.3
113.02460	13.5
115.02714	0.3
119.03510	4.1
125.02497	0.5
131.03554	0.9
135.04568	1.0
137.02484	0.6
143.03517	0.8
161.04594	2.5
173.04585	2.7
179.03485	0.4
179.05659	1.0
191.05672	2.7
199.60416	0.4
251.58032	0.3
379.21255	0.3
397.22333	4.9
398.22781	0.6
415.23398	4.0
457.24905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
57.03465	0.6
58.00590	0.4
58.82140	0.3
59.01383	100.0
60.01718	1.1
61.17524	0.3
69.03467	0.4
69.15028	0.3
69.44910	0.3
70.86638	0.9
71.01388	15.0
72.99303	0.6
73.02950	14.0
73.29314	0.3
75.00893	0.3
76.46336	0.3
83.01385	3.8
85.02955	4.5
87.00893	0.6
87.04485	0.3
89.02451	5.6
93.03493	1.1
95.01397	1.1
97.06643	0.4
99.00966	0.5
101.02448	13.2
102.02741	0.3
111.04532	0.4
113.02458	8.9
114.02771	0.3
118.45667	0.4
119.03533	1.8
125.02452	0.7
131.03520	1.2
135.04555	1.0
143.03535	1.3
145.74510	0.3
149.04622	0.8
155.03497	0.3
161.04579	2.4
163.04045	0.8
173.04593	1.7
178.06349	0.8
179.05621	0.7
191.05598	2.4
193.08778	0.9
198.49471	0.3
216.93089	0.3
250.20284	0.4
397.22498	1.0
415.23563	0.8
446.44897	0.3
457.24200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03456	0.5
58.00596	0.7
59.01385	100.0
60.01727	1.1
61.98842	0.8
63.27204	0.3
67.01891	0.4
69.03431	0.3
69.82029	1.6
71.01390	16.3
72.99336	0.9
73.02956	7.5
75.00903	0.5
81.03477	0.3
83.01404	2.1
85.02960	4.5
87.00885	0.6
89.02452	9.8
90.64441	0.3
93.03466	1.7
95.01415	1.1
96.96029	0.4
97.03006	0.3
97.06597	0.6
99.00886	0.8
101.02454	9.9
101.03101	0.5
111.00922	0.4
111.04547	0.3
113.02460	9.0
119.03510	3.3
125.02480	0.6
131.03543	0.7
134.03764	0.3
135.04550	1.0
137.02499	0.6
143.03546	1.2
149.04573	0.4
153.01945	0.3
161.02522	0.5
161.04620	2.2
163.04094	0.3
173.04558	2.3
179.03613	0.6
179.05695	1.0
191.05667	2.7
203.05441	0.3
235.17517	0.3
266.84360	0.3
269.72244	0.3
284.83951	0.3
353.19427	0.3
356.04318	0.3
378.80725	0.3
397.22348	1.3
415.23618	1.2
457.15558	0.4
457.24799	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01379	6.5
71.01370	2.6
83.05003	1.1
89.02456	5.3
101.02408	1.2
113.02440	1.2
113.38692	0.9
119.30894	0.8
179.05553	2.3
179.14398	1.0
189.12735	4.5
191.14410	1.8
205.15997	6.2
207.15770	1.6
207.17555	20.5
209.08102	1.4
229.43497	1.2
235.09749	1.1
249.14832	2.5
251.16380	1.3
277.21808	7.6
341.28369	1.1
379.29938	2.2
381.27927	1.1
397.31146	12.0
398.31149	2.3
413.29269	1.4
413.34271	18.3
414.34225	2.7
439.31866	2.0
456.35361	2.3
457.33090	100.0
458.33444	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	457.3692
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
51.22942	0.2
57.03453	0.3
57.25630	0.2
59.81123	0.3
66.28637	0.2
69.95525	0.7
83.05037	0.6
93.93932	0.2
98.20568	0.3
117.06104	0.2
123.21996	0.2
142.33220	0.2
264.00092	0.2
306.34906	0.2
316.10324	0.2
397.31335	0.2
398.26135	0.3
413.34485	0.3
457.36975	100.0
458.37320	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	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92293	1.5
58.00591	1.7
59.01118	2.0
59.01389	31.9
70.48405	1.4
71.01390	24.2
71.53703	2.4
73.02955	67.2
85.02953	4.9
87.00848	2.0
89.02444	29.0
94.42229	1.5
99.00883	6.8
101.02453	14.1
108.02200	1.9
109.60648	1.5
113.02472	8.3
116.92865	5.9
117.01956	100.0
117.05693	1.8
118.02290	2.1
118.05116	14.4
119.03516	10.7
131.03503	1.8
134.03773	3.0
135.04543	2.2
138.12054	1.5
143.03572	2.5
149.06053	1.7
161.04558	4.9
173.04507	1.8
179.05635	13.6
191.05548	2.5
193.05035	1.9
193.51416	1.9
221.50078	1.5
279.15451	1.7
341.10928	40.9
342.11276	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
59.01387	9.6
69.51716	4.5
71.01393	7.1
72.23688	0.6
72.99318	1.7
73.02966	1.6
83.01408	0.9
85.02969	3.7
85.08109	0.6
87.00900	1.3
89.02451	5.6
93.03485	0.8
95.01399	0.6
101.02439	5.4
111.00900	0.7
113.02438	2.8
117.03457	2.3
119.03534	1.6
119.05048	0.9
121.05082	4.5
123.04546	0.7
125.56569	0.5
128.94122	0.6
132.02185	18.2
133.02974	2.1
134.03757	34.0
135.04529	1.8
137.02446	1.4
149.02455	0.7
149.06097	4.4
149.81949	0.6
160.01677	85.3
161.02077	2.9
161.04539	1.1
163.03914	0.6
169.61819	0.6
174.88515	0.6
175.04019	100.0
176.04425	4.6
177.05458	0.7
178.02829	0.9
179.03506	1.9
191.07178	2.1
193.05072	46.2
194.05402	2.2
197.04532	1.5
199.64357	0.7
207.06628	1.0
216.25978	0.7
223.06183	1.1
228.75351	0.7
235.06186	5.5
254.94984	0.6
265.07068	0.9
283.10474	0.7
295.08176	0.7
311.96356	0.7
312.06506	1.0
337.09351	0.9
339.05228	1.0
341.06390	0.6
369.06223	2.9
369.10367	0.7
399.07083	1.6
459.10205	3.9
459.15091	78.3
460.10046	0.9
460.15524	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	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31235	0.6
51.83970	0.5
59.01389	11.8
63.45630	0.5
69.42278	4.1
71.01388	7.8
72.99317	1.0
73.02960	1.4
80.49615	0.6
83.01398	0.8
85.02969	3.7
87.00890	1.1
89.02457	7.9
93.03480	0.9
95.01407	0.5
97.60881	0.5
98.20610	1.1
101.02457	6.7
105.11799	0.5
108.02183	1.6
109.02949	1.5
111.04609	0.6
113.02493	3.0
117.03551	1.2
117.05604	0.7
119.03522	1.1
120.60831	0.5
121.02964	1.4
121.05091	3.6
132.02182	16.7
133.03030	3.3
134.03757	31.4
135.04514	2.1
137.02431	1.2
147.04617	1.0
149.06104	3.4
152.01198	1.9
153.01891	0.6
160.01675	82.4
161.02034	3.7
161.04636	0.9
163.00380	0.6
163.04024	0.6
164.04813	1.4
173.04535	0.8
175.04018	100.0
176.04419	5.6
178.02776	1.1
179.03496	1.8
190.02713	1.7
191.03430	0.6
191.05640	0.9
191.07153	1.6
193.05072	42.3
194.05415	1.7
205.05109	2.2
207.06482	0.7
221.80693	0.6
223.06198	1.2
235.06154	8.4
265.07291	1.0
295.08286	1.5
297.04147	1.0
298.04849	9.4
299.05423	0.8
309.03949	1.1
326.04352	0.6
327.05081	2.4
337.09235	1.9
459.09314	9.1
459.15076	71.2
460.09750	0.8
460.15506	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	459.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01737	3.4
61.98854	2.0
70.23846	5.3
71.01393	32.1
72.99322	2.8
73.02952	38.1
75.00900	1.5
83.01398	12.3
85.02962	8.4
89.02451	11.6
94.44773	1.5
99.00897	1.6
101.02457	38.6
102.69843	1.5
109.15504	1.6
113.02457	13.5
119.03512	4.5
125.02471	2.2
135.04515	1.8
143.03494	3.2
149.04507	1.9
161.04576	6.3
167.48134	1.7
173.04591	4.7
191.05553	2.2
192.06033	1.5
193.12379	7.4
209.02888	1.7
362.10934	1.5
373.18683	4.7
399.23898	2.5
415.19650	22.7
415.24683	2.3
416.20056	3.4
438.84326	1.7
459.22641	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59872	2.7
52.15178	2.5
55.72409	2.4
56.73968	2.6
57.03445	3.4
59.01385	100.0
61.98827	5.2
64.77629	3.2
71.05022	18.8
71.57715	2.8
78.95924	6.0
81.60207	2.7
83.05049	3.2
86.75804	2.9
96.96026	4.4
97.06595	8.3
110.98544	4.9
125.09757	3.2
137.09761	2.9
163.09123	3.4
185.02208	5.3
209.11813	12.2
219.13942	3.1
226.09564	3.1
245.19028	5.9
289.18100	11.7
291.19675	69.3
292.20093	6.3
307.19324	4.2
411.29413	4.0
429.30157	4.7
459.21634	4.9
459.27124	16.8
459.31537	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	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50164	0.2
55.01893	0.3
57.03444	0.8
59.01385	100.0
60.01715	1.3
60.70409	0.3
61.98834	0.5
67.18139	0.2
69.25574	1.6
69.25993	0.8
71.01391	8.7
72.99339	0.5
73.02953	2.5
74.50822	0.2
81.49314	0.2
83.01402	1.1
84.16405	0.2
85.02958	5.4
87.00890	0.6
87.04530	0.9
89.02469	1.8
93.03486	0.8
95.01411	1.0
96.96032	0.3
99.00908	1.1
101.02446	4.4
113.02467	7.3
119.03505	0.4
121.03011	0.6
125.02483	0.3
133.40787	0.3
135.04558	0.6
137.02504	0.3
143.03493	0.6
161.04550	3.1
173.04623	0.8
190.37570	0.3
191.05682	0.8
198.38248	0.2
234.99756	0.3
255.19743	0.5
257.38931	0.3
279.10980	0.2
343.21484	0.3
399.23904	5.5
399.28772	0.4
400.24225	0.5
417.25003	2.8
417.29965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.291
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
58.03713	0.3
60.84263	0.3
69.87946	1.6
73.73177	0.3
90.72175	0.4
93.48871	0.3
105.64569	0.3
107.05042	30.0
108.05379	0.7
139.55754	0.3
141.26079	0.3
147.08211	0.6
153.50710	0.3
163.11302	100.0
164.11620	4.9
214.42712	0.3
283.17050	25.7
284.17459	1.9
295.17047	13.5
296.17365	1.2
312.55560	0.3
327.19751	0.3
413.34256	0.3
459.29086	78.1
460.29434	12.1
460.35165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01384	3.9
68.36475	0.4
71.01389	2.7
71.56403	0.5
74.02483	1.2
75.00849	0.5
85.02949	0.7
87.00925	0.4
89.02446	1.0
93.03470	0.7
97.02958	0.4
101.00214	0.4
101.02428	1.0
109.02951	0.4
111.00941	0.4
113.02384	0.4
116.03526	0.6
119.03474	0.4
121.02942	1.4
132.02180	0.8
133.02939	2.7
134.03769	3.0
135.00934	0.9
135.04526	1.1
136.01682	0.6
143.15674	0.3
145.02975	0.6
150.03220	0.6
161.02449	1.2
162.03146	0.6
163.00377	3.1
164.01086	0.9
165.01953	1.7
166.04726	0.4
173.04562	0.6
174.03186	0.6
181.12589	0.4
191.05615	1.3
195.03479	0.4
201.01930	0.9
207.10341	1.0
211.03981	0.6
212.04698	0.5
212.10063	0.4
213.05557	0.5
214.06294	0.6
225.05692	0.9
225.11349	1.8
226.06467	0.5
227.03644	0.7
227.07072	1.5
229.05019	0.7
240.04280	0.4
241.05008	2.4
253.05020	1.4
254.05899	0.6
255.02945	1.9
256.03738	0.6
267.65598	0.4
268.03818	0.5
269.04700	3.5
270.05365	2.1
282.05179	0.6
283.02695	0.6
284.03305	3.2
285.04117	2.0
296.03278	1.6
297.00620	0.7
297.04050	21.4
298.04834	100.0
299.01910	0.6
299.05270	10.0
309.04089	6.8
310.04749	2.7
311.05530	2.9
312.06342	1.2
313.03644	0.5
313.07147	7.3
314.07645	0.8
323.05551	0.7
324.02744	0.9
325.03482	1.9
325.07272	1.0
326.04236	1.8
327.05093	0.4
329.46530	0.4
330.03873	2.7
337.03552	1.1
338.04245	0.9
339.05090	0.9
341.06674	89.5
342.07016	8.7
344.05463	1.5
353.06717	4.7
355.08298	0.5
356.05185	2.1
371.07767	25.8
372.08121	2.6
383.07684	1.9
385.09082	0.9
387.05640	0.4
413.08884	0.5
436.68085	0.4
443.09784	1.5
444.62744	0.5
456.12964	0.4
461.10934	57.5
462.11261	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	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
59.92675	0.4
61.98835	6.9
67.76320	0.4
69.24918	4.0
71.01366	1.8
73.02959	0.4
78.58133	0.3
79.01850	0.4
79.61999	0.5
85.02967	0.8
85.36693	0.4
89.02428	0.5
92.29948	0.4
93.03464	1.2
101.02453	0.8
105.03486	0.7
108.02177	0.9
109.02944	0.6
111.00872	1.3
111.53775	0.4
116.03526	0.6
121.02957	1.3
132.02162	1.0
133.02917	2.3
134.03743	2.5
135.00929	0.9
135.04535	0.7
136.01735	0.9
137.02460	2.1
145.03017	0.5
147.04517	1.4
149.02478	1.4
151.04030	2.3
154.61296	0.4
159.64763	0.4
161.02460	1.3
162.03122	0.4
163.00418	2.6
163.11314	0.5
164.01099	0.6
165.01965	0.9
165.05650	0.5
168.03024	0.7
173.00899	0.5
174.03014	0.4
175.00352	0.6
179.03476	0.6
187.87189	0.4
191.03519	0.8
191.05623	2.3
195.06786	0.4
199.03996	0.6
201.01900	0.7
213.05649	0.4
214.06415	0.5
225.05553	1.2
225.11322	1.4
226.06175	0.4
227.03561	0.8
229.05145	0.6
241.05031	1.6
253.05087	1.0
254.05733	0.5
255.02968	1.5
256.03760	0.5
269.04562	2.4
270.05154	2.2
273.07553	0.5
281.06998	0.4
283.02429	0.6
284.03210	2.0
285.04108	1.4
296.03284	1.0
297.04065	16.6
297.07541	0.8
298.04831	90.0
299.05219	9.3
308.03436	1.2
309.03922	2.9
310.04822	0.9
311.05707	1.1
313.03674	0.9
313.07175	10.9
314.07492	1.0
323.05576	1.2
324.02597	0.6
326.04370	6.3
327.04910	0.7
330.03882	1.2
339.05054	0.9
341.06674	100.0
342.07034	10.1
353.06705	1.6
371.07748	7.1
371.12143	0.8
372.08154	0.6
383.07675	0.6
461.10910	38.8
462.11340	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	461.1094
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
51.15082	0.3
54.47762	0.3
57.03437	0.4
59.01384	4.1
69.23683	3.2
71.01363	1.3
73.02965	0.4
85.02956	0.7
87.00824	0.4
89.02426	0.7
93.03459	0.6
96.59487	0.4
97.02969	0.5
98.20618	0.7
101.02454	1.3
107.65100	0.4
109.02939	0.5
109.06603	2.1
128.03543	2.1
132.02219	0.5
135.04523	0.7
137.02405	0.6
149.02393	0.5
151.00374	0.8
153.01981	0.4
161.02533	0.6
161.04614	0.5
163.11279	1.1
171.07733	0.6
179.03491	0.4
181.12311	0.5
191.05655	0.4
198.03300	0.7
207.10294	5.3
225.11394	3.5
226.02737	0.7
227.03503	1.3
243.03044	1.7
249.05470	2.0
253.09244	1.1
255.03006	83.6
256.03384	5.0
268.03687	1.1
269.04541	4.4
271.02478	1.5
281.06876	0.5
283.02496	59.6
284.03162	12.0
285.03906	2.7
297.04047	14.2
298.04807	16.3
299.02017	1.4
299.05536	9.4
300.06012	0.7
313.03610	4.4
314.04095	0.5
327.05023	0.9
341.06607	0.4
365.53650	0.4
446.08594	18.1
447.08896	1.8
461.10983	100.0
462.11337	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.4
59.01388	100.0
60.01738	2.7
61.98833	13.4
67.28432	1.8
69.03469	4.9
70.62564	2.3
71.01395	26.7
71.56664	2.7
71.57059	3.1
72.99339	2.3
73.02954	8.6
74.02480	4.1
78.95934	3.7
83.01392	5.1
85.02960	10.1
86.59672	2.0
87.00905	5.4
89.02467	7.5
91.04008	2.8
93.03476	7.1
95.01395	2.7
96.96045	3.4
97.02953	2.2
99.00893	2.7
101.02460	11.8
109.06587	3.4
110.96899	2.3
113.02470	8.8
119.03500	3.9
121.02937	2.9
123.00868	3.6
124.01679	4.8
125.02463	11.5
133.02962	3.5
134.03784	3.2
134.04742	5.2
135.04514	11.5
137.02438	14.0
149.99661	3.7
161.02458	2.4
161.04552	2.7
168.00691	10.8
171.10425	4.9
173.04506	4.0
179.03525	10.8
193.05042	2.8
195.13940	4.7
204.49907	2.3
207.10297	8.1
211.13387	2.9
211.96855	2.2
213.15079	3.1
225.11340	10.2
284.03235	5.2
299.05679	11.8
327.21829	18.2
341.06909	3.0
375.20276	9.7
379.61353	19.8
380.11417	8.2
383.70667	2.5
396.11508	2.4
417.21332	27.9
461.10986	15.9
461.23947	11.7
461.29724	3.8
462.11179	2.7
462.26755	3.4
469.21832	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	461.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12531	0.6
54.92033	0.7
59.01379	3.2
61.98846	1.0
69.72589	4.3
71.05031	0.8
78.95913	11.9
96.96016	3.7
109.06585	1.1
110.98537	8.9
119.05077	1.1
121.02986	0.8
121.10248	0.9
150.03282	1.1
152.99586	2.0
163.04091	0.7
166.80711	0.8
166.99820	0.9
167.01163	3.5
171.10286	1.6
179.14435	1.0
185.02223	7.1
187.48390	0.7
195.13890	8.5
196.14548	0.8
205.12317	1.4
207.10277	3.0
223.13408	7.6
225.11259	1.3
256.13196	2.1
275.20142	7.5
293.21252	100.0
294.21573	7.7
341.06537	0.7
347.43985	0.8
417.30377	0.8
419.91806	0.8
461.23154	20.3
461.29343	8.2
462.23608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.5
59.01380	2.7
59.75997	0.4
61.98859	0.4
66.31945	0.4
71.01402	0.5
71.04984	0.5
78.95914	8.8
84.39220	0.4
92.87310	0.5
96.96020	1.5
97.06622	1.0
98.19876	1.2
101.25581	0.5
109.06599	0.8
110.98540	5.0
111.08160	0.5
111.84378	0.4
112.21373	0.5
113.09740	17.0
121.10267	0.8
135.04538	0.4
135.11821	0.4
139.11304	1.7
141.09315	0.7
149.09784	0.7
151.82320	0.5
152.99542	0.6
167.01135	3.3
167.10774	1.9
168.45125	0.5
171.10283	1.6
177.12938	0.7
179.10774	1.9
183.13933	1.9
185.02213	6.7
195.13902	2.8
211.13414	0.5
223.13358	0.7
228.98701	0.5
235.17117	0.6
249.22227	1.5
275.20145	3.9
285.04050	0.4
293.21262	100.0
294.21591	8.2
399.28830	0.5
461.23242	11.1
461.29031	3.4
461.33362	2.0
462.23657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.8
61.98832	3.0
69.49893	11.2
71.01388	2.0
71.05013	4.5
78.95912	10.5
85.02953	1.9
93.03469	3.0
96.96016	5.4
110.98539	7.4
113.09753	3.1
137.02464	3.0
152.99655	2.5
162.35390	1.8
167.01160	3.3
180.09554	1.7
182.57928	1.7
185.02213	7.5
207.10057	2.5
209.15474	2.3
235.17046	22.3
236.17334	2.2
258.99802	1.7
275.20181	27.6
276.20657	2.6
293.21268	100.0
294.21591	7.3
399.28943	2.4
417.30231	2.9
431.31735	16.5
461.23541	12.7
461.28317	7.4
461.32751	17.3
462.23511	2.5
462.33554	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	461.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	3.7
59.01384	100.0
61.98835	22.0
66.40164	2.9
71.01385	11.6
71.55892	3.1
73.02958	8.6
78.95895	5.8
85.02968	3.1
89.02435	5.2
96.96014	30.0
97.02971	3.5
100.82546	2.9
101.02462	7.4
101.20190	3.9
109.06593	7.9
121.02965	5.7
129.09244	7.0
141.09204	6.4
152.99638	6.7
155.10756	9.4
161.02390	4.0
161.04663	4.9
163.11285	6.2
171.10182	3.6
185.11841	26.9
189.21858	3.5
197.11873	15.1
201.11317	8.4
207.10277	30.3
209.11987	6.9
213.11290	4.3
225.11269	15.9
291.19684	11.0
307.98758	3.6
309.20718	42.2
327.21771	74.8
328.22165	8.2
461.20349	17.2
461.28879	6.5
462.21594	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	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98823	7.2
63.97558	2.7
64.85722	2.9
69.96922	13.6
71.01368	8.2
80.56612	3.1
83.01382	3.6
89.02447	4.0
90.31306	2.6
96.96033	9.8
97.06609	3.1
101.02463	3.4
106.06630	6.0
108.08210	3.3
109.06584	10.3
113.02438	4.6
113.27026	2.7
129.09236	6.8
132.70245	2.9
134.06104	6.7
152.07231	2.9
155.10800	6.4
161.04572	3.6
163.04030	3.6
163.11313	3.9
185.11836	18.2
197.11832	15.6
207.10255	25.9
209.11855	3.7
213.14980	4.0
225.11418	15.9
253.09183	4.0
255.02832	3.2
291.19739	11.3
298.04758	5.0
299.14056	16.1
309.20828	29.0
310.21036	4.6
327.21802	51.2
328.22110	5.8
383.24493	4.5
383.87106	3.0
460.83231	3.5
461.11465	3.6
461.20035	9.5
461.29053	12.5
462.20480	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	461.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99301	2.0
63.87294	0.7
69.77113	4.5
71.15830	0.7
71.34977	0.7
73.15755	0.8
79.95756	0.8
85.25961	0.7
91.35921	0.8
96.96033	11.4
98.20628	1.4
107.05080	1.9
151.04042	1.3
151.07634	0.9
237.36049	0.8
276.83231	0.9
290.45627	0.8
343.23688	0.8
343.30206	1.7
345.31601	1.5
399.36664	2.0
417.33905	1.0
425.34381	1.0
431.76935	1.0
443.35089	4.6
461.36548	100.0
462.36844	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	462.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53495	0.4
55.01875	1.9
57.03452	2.4
59.01385	24.0
68.01414	0.4
69.17672	2.2
69.18105	1.9
69.79677	0.4
71.01387	19.0
72.99309	1.0
73.02954	5.0
75.00892	0.7
83.01389	4.3
85.02959	8.7
87.00889	1.8
89.02450	7.9
93.03483	0.7
95.01396	1.4
96.95990	0.4
97.02974	0.9
99.00887	3.7
99.04523	1.1
101.02454	19.9
108.02159	0.7
111.00876	0.5
113.02468	11.4
119.03516	4.3
123.03289	8.1
125.02485	1.2
134.03810	0.8
135.04570	0.6
137.02475	0.9
138.02068	2.7
138.05623	100.0
139.05949	2.9
140.07201	0.9
143.03558	3.2
149.06145	0.6
150.03348	0.4
159.03030	1.2
159.72781	0.4
161.04648	11.5
162.05823	0.5
164.03668	0.5
173.04604	0.7
179.05634	2.0
180.06686	1.3
191.05600	1.1
192.02930	0.4
193.03824	1.7
203.05605	0.5
221.06694	0.8
283.05560	0.4
283.10901	9.9
299.99307	0.9
300.10892	17.8
300.99731	0.5
301.11255	1.1
323.09811	6.5
324.10068	0.6
350.86023	0.4
373.18768	3.5
402.14841	0.9
403.19946	0.8
462.16226	16.2
463.05429	0.7
463.16565	2.1
463.21713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43690	0.6
52.58450	0.5
59.01387	6.7
61.98837	100.0
62.85545	0.6
69.56453	3.6
69.66467	0.6
71.01357	0.7
72.09650	0.5
78.95927	2.5
81.03497	0.9
82.43732	0.6
96.96042	2.7
107.01411	1.4
117.48254	0.6
151.00436	1.1
152.99619	1.8
158.94795	0.6
160.25185	0.6
195.47989	0.5
209.11920	1.0
211.13528	0.7
217.87601	0.6
227.13004	0.6
242.05887	2.4
243.06233	2.7
257.08185	3.1
258.08548	4.8
293.81464	0.7
329.23322	1.3
347.30911	0.6
463.12894	0.9
463.21371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63035	0.3
59.01382	3.9
61.98835	100.0
62.66029	0.3
69.45026	0.9
69.45448	2.1
71.01379	0.9
71.43316	0.4
73.02947	0.5
78.95909	4.3
78.96323	0.4
85.02956	0.4
101.02475	0.5
152.99580	2.0
163.02132	0.4
171.00696	1.5
175.02440	0.4
209.11896	0.8
274.00497	0.4
283.08847	0.9
385.36652	0.4
462.20334	0.5
463.21329	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	463.0889
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01889	0.7
57.03475	2.3
59.01388	29.1
62.74336	0.6
65.00350	1.7
66.48906	0.7
69.03507	0.8
69.76736	3.5
71.01390	34.3
72.99333	1.8
73.02955	8.8
74.02480	4.2
75.00868	6.1
78.48710	0.6
83.01405	4.7
85.02964	14.1
85.03454	0.9
87.00893	1.6
89.02459	17.4
93.03468	7.1
95.01421	1.5
96.96035	1.9
99.00906	4.4
101.02459	20.4
101.03092	1.2
103.74742	0.7
107.01424	3.6
108.02200	2.3
109.02972	2.2
111.00887	0.9
113.02474	12.5
116.03568	3.4
119.03520	4.7
121.03008	2.9
125.02470	2.3
129.01997	1.1
131.03558	3.0
133.02986	1.6
135.00893	1.0
135.04546	3.1
137.02458	11.8
143.03575	2.1
148.01718	1.0
149.04579	3.6
151.00383	13.0
154.06685	1.0
159.03044	1.6
161.02490	1.9
161.04576	17.4
163.00407	2.9
164.01195	1.4
165.02098	0.7
173.04579	2.7
178.99899	5.7
179.03537	2.0
179.05679	2.4
181.05138	0.9
183.10297	1.7
187.04105	0.9
191.05602	5.4
192.00542	0.8
193.01279	0.6
199.04048	1.3
209.11868	6.9
211.04033	1.4
215.03543	1.1
226.02716	2.2
227.03560	3.9
227.12939	4.0
229.05110	1.1
243.03004	11.4
245.04605	2.1
253.09497	1.4
254.02191	2.8
255.02998	28.4
256.03546	1.9
260.05765	1.0
271.02505	60.5
272.02988	5.7
273.04019	1.4
283.02573	1.3
289.07321	1.0
299.01993	1.7
300.02774	100.0
301.03543	57.4
301.07144	4.5
302.03940	2.9
331.17667	23.6
332.18005	1.3
463.08786	69.2
463.21536	8.9
464.08972	8.3
464.28461	0.9
468.13101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
54.74318	0.8
57.90813	0.5
58.92167	0.5
59.01381	2.1
61.98833	5.0
69.03458	1.2
69.82172	3.5
70.76229	0.7
71.01384	2.0
79.01928	0.7
83.01403	0.8
89.02454	1.4
92.78378	0.6
93.00893	0.5
95.01412	0.8
97.02959	0.6
99.00894	0.6
107.01424	0.8
123.00910	8.8
124.01678	29.9
125.02471	25.4
143.77126	0.6
148.97597	0.6
149.99605	34.8
151.00255	1.5
151.04028	0.8
153.01782	0.6
167.03517	2.7
168.00659	100.0
169.01323	5.2
179.03476	1.2
230.05617	0.6
269.06757	1.0
331.06802	3.5
445.09781	0.9
463.10953	99.8
464.11176	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	463.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39120	0.6
57.03449	0.7
59.01380	1.5
62.96427	0.9
71.56473	0.9
73.21272	0.7
74.96221	1.0
78.95905	8.8
84.40266	0.7
96.96011	2.1
110.98541	1.3
112.53432	0.5
123.47479	0.6
123.61159	0.6
128.79430	0.5
139.37561	0.7
140.72891	0.5
149.00107	34.9
159.15900	0.5
171.10303	1.5
190.96181	0.6
194.98878	100.0
195.99158	2.6
221.08319	1.0
235.09840	0.7
277.21835	2.4
295.22836	8.4
299.99118	1.2
300.99863	1.2
383.86066	0.6
463.05606	2.0
463.11191	56.7
463.25769	2.4
463.31158	2.1
464.11258	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	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29779	0.4
52.69428	0.5
57.03451	0.6
59.01386	13.3
61.98851	3.9
67.01900	0.6
69.03458	0.7
70.20026	0.5
71.01392	1.8
73.02957	0.8
76.25121	0.4
78.95894	0.7
79.95767	0.5
81.03461	2.0
83.01402	0.6
83.67435	0.5
85.02969	1.4
89.02479	0.9
93.03485	1.5
95.01410	4.1
95.05083	0.5
96.96031	0.9
97.02962	1.2
98.66336	0.5
101.02447	1.7
103.22946	0.4
105.59776	0.5
107.01418	3.4
108.74940	0.5
109.02980	1.5
111.04539	0.8
113.02439	1.0
121.02966	1.6
123.00908	3.7
123.04564	0.6
124.01688	1.4
125.02467	6.0
135.04584	0.7
136.01617	0.7
137.02458	2.9
141.01945	0.6
149.02443	1.2
149.99602	67.8
151.00397	10.8
151.07712	0.7
161.02426	0.8
163.04080	0.8
165.01926	1.7
168.00613	0.4
169.01413	0.7
173.04558	1.5
177.01979	0.6
179.03552	0.8
191.03833	0.5
191.05644	1.2
193.01433	1.7
200.01227	0.5
209.11862	1.2
212.44991	0.5
227.12924	0.9
253.09259	0.7
295.04510	0.7
299.99179	2.3
300.99982	2.5
313.06018	0.6
355.06726	100.0
356.07077	6.5
373.08142	0.9
403.27408	0.6
463.05173	1.6
463.12778	0.6
463.19427	0.7
463.26511	0.7
468.35318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43769	0.5
51.23000	0.5
55.01872	0.9
57.03442	1.6
59.01385	23.6
61.98817	1.7
63.02402	2.2
65.00330	6.2
67.01888	0.8
69.21087	5.5
71.01392	7.9
72.99300	0.9
73.02945	2.3
74.87378	0.6
75.00919	0.6
80.02694	0.6
80.05047	0.4
83.01393	5.7
83.05042	0.7
85.02962	7.0
86.02508	1.0
87.00884	1.5
89.02445	6.4
93.03473	5.9
94.03838	0.7
95.01431	0.5
96.96027	0.6
97.02988	0.8
99.00883	0.6
99.04485	0.5
101.02457	5.5
105.42718	0.5
107.01407	12.1
108.02208	6.3
109.02993	0.9
111.00899	2.0
111.04510	1.2
113.02485	3.4
113.03127	0.5
117.03448	0.5
119.03561	0.9
121.02972	1.6
123.04552	3.4
125.02428	1.9
127.04060	0.5
127.08801	0.8
128.03560	6.7
129.01939	0.7
131.01398	0.8
131.03494	1.3
133.02969	1.7
134.03764	22.0
135.04556	7.8
136.01675	3.0
137.02460	3.4
139.11276	2.0
148.07735	0.6
149.02469	1.0
149.04614	2.0
149.06097	12.9
151.00383	38.4
151.03998	1.3
152.00816	0.8
153.01971	0.7
153.06639	0.6
155.03476	0.8
159.62688	0.5
160.01660	1.0
161.02461	2.2
161.04572	1.7
164.01186	4.2
165.01941	2.8
169.01421	1.5
171.07750	2.0
173.04576	9.8
174.04881	0.5
175.00375	1.0
175.03979	1.0
177.01956	4.6
178.02679	0.7
179.03473	4.7
183.10205	3.0
191.01999	0.6
191.05617	11.2
192.05867	0.7
193.01488	0.9
193.05077	0.8
196.00168	2.5
199.03995	0.7
199.13528	0.5
201.01952	1.6
207.10335	0.7
209.11919	4.2
213.15028	1.2
215.07056	1.0
227.13013	2.7
241.04948	0.6
241.14648	0.5
242.05734	0.6
247.13725	2.1
253.09357	1.0
257.03784	0.6
257.08453	0.7
271.06137	0.7
271.29718	0.5
283.02496	0.6
283.19128	0.8
284.02927	0.6
285.03400	1.5
286.04782	1.5
289.07202	3.3
299.05182	0.8
300.05707	0.9
301.07193	100.0
301.20236	1.8
302.07544	7.6
325.07187	1.4
334.16873	1.8
343.08289	2.6
355.08636	0.6
403.19055	0.7
421.92365	0.5
427.15881	0.8
445.20111	0.9
450.59842	0.6
463.12131	8.8
463.20844	5.6
463.26724	13.3
464.12183	0.9
464.26563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
58.00600	0.7
59.01385	31.5
61.47210	0.6
61.98846	0.8
65.00327	0.7
67.01901	2.0
69.67894	3.2
71.01389	13.6
72.99321	1.1
73.02950	2.2
78.11211	0.7
83.01384	1.7
85.02937	3.5
87.00915	1.5
89.02457	9.9
91.01922	5.9
93.03458	0.6
95.01412	1.8
96.96015	1.5
99.04561	0.9
101.02446	11.1
104.28612	0.7
107.01426	2.3
108.02170	4.7
109.02985	2.3
111.00883	1.7
113.02438	3.8
116.92876	4.7
119.03542	3.5
120.99676	3.7
123.00893	2.1
123.04538	26.7
123.08115	0.7
124.01624	1.0
124.04834	0.8
125.02470	1.4
127.41087	0.6
137.40895	0.6
138.05626	3.3
139.05978	1.5
150.03218	1.0
151.00433	4.9
151.06117	3.9
152.01169	7.6
153.01907	1.8
160.18828	0.7
161.04544	2.7
165.01926	0.9
166.02718	6.1
167.03506	100.0
168.03833	4.0
173.04585	1.2
178.01079	0.8
178.40034	0.7
179.05626	1.9
181.05063	5.3
191.05655	2.1
193.05069	0.7
194.02246	3.9
195.02995	0.7
198.53760	0.8
209.04555	37.9
210.04906	1.8
239.05594	3.9
251.05661	1.1
255.05164	0.9
269.06686	11.4
279.33707	0.7
283.19080	0.8
295.10080	1.4
311.07642	2.9
329.08713	0.8
373.18582	1.6
403.19742	4.4
463.14609	73.3
464.14841	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21512	0.7
51.41645	0.6
53.46207	0.7
54.17354	0.7
56.36496	0.7
59.01385	28.5
61.98834	1.8
69.94321	3.3
71.01389	13.6
71.96664	0.7
72.99313	1.3
73.02950	1.6
76.78061	0.7
83.01389	1.2
85.02969	4.8
87.00902	1.4
89.02456	11.6
93.03468	38.1
95.01426	1.1
96.96035	5.3
96.96978	0.8
97.02956	1.0
101.02463	11.7
108.02240	0.8
113.02461	5.5
116.92913	1.2
119.03519	3.1
120.99666	0.8
121.02968	1.4
125.02473	1.5
131.03488	1.7
135.04504	1.3
136.01672	7.8
137.02460	100.0
138.02768	3.8
139.00369	2.6
140.07202	2.3
143.03494	0.8
149.02446	1.7
150.35329	0.7
151.04068	3.1
154.02699	1.1
154.12193	0.7
161.04532	1.2
163.06143	1.8
167.03532	1.8
169.05077	1.4
175.80711	0.7
179.03517	33.1
179.05313	1.0
179.05730	1.5
180.04045	1.1
181.07217	3.1
191.05530	0.9
205.07225	0.8
209.04576	5.7
233.06868	0.9
239.05591	21.4
240.06023	1.3
281.06680	3.6
299.07867	5.1
325.11487	2.4
338.95508	0.8
403.20145	1.5
463.14621	94.1
464.14874	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	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03454	0.5
58.00600	0.4
59.01105	0.6
59.01385	8.9
61.98837	7.5
62.46064	0.3
69.39871	2.8
71.01389	6.4
73.02943	1.8
74.02479	1.1
75.00867	0.6
80.02679	1.2
81.03467	1.0
83.01397	1.2
83.05035	4.7
84.02164	1.2
85.02956	2.8
87.00899	0.8
87.94720	0.4
89.02460	4.1
89.03998	0.5
93.03463	1.5
95.01398	0.5
95.04996	0.8
97.06568	0.4
101.02453	5.3
107.01385	0.6
107.05019	0.4
109.06620	0.4
111.04545	0.6
113.02453	2.5
116.03549	0.7
116.58577	0.4
117.03475	0.6
119.03519	1.0
121.03030	0.4
125.06060	0.5
125.09727	0.4
129.01962	0.6
129.49702	0.4
133.02983	0.9
134.03720	2.0
135.04524	1.8
135.08171	0.7
137.02434	1.4
143.03548	0.5
149.02397	0.5
149.04669	0.5
151.00380	0.8
151.04015	1.0
152.04408	1.0
159.03090	0.5
161.02449	2.0
161.04564	2.9
163.11290	4.8
165.01952	0.4
165.12880	2.4
167.03496	0.4
173.04605	2.1
174.03427	0.4
179.03526	1.7
179.05621	0.5
180.99722	0.4
181.12334	0.5
191.05629	2.9
191.10916	0.8
199.13399	1.8
209.11848	100.0
210.12186	6.5
213.02324	0.6
227.12906	22.0
228.13194	1.4
253.09311	13.1
254.09581	0.6
271.02609	0.4
271.05835	0.5
273.84000	0.4
289.07254	2.4
297.03909	0.4
298.04755	2.3
299.05014	2.9
300.02670	0.5
300.05493	5.1
301.07101	1.2
304.39261	0.4
313.07211	0.5
315.07922	0.5
328.04803	0.4
329.14948	0.8
331.17654	2.4
341.06693	1.9
342.07169	2.3
343.07285	6.6
463.12219	5.5
463.21005	2.1
464.12653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87124	0.3
57.03454	0.5
59.01385	5.3
65.40902	0.3
69.27496	0.3
69.27816	2.9
71.01385	4.0
72.99321	0.3
73.02948	1.2
80.02666	1.0
81.03473	0.8
83.01384	0.7
83.05029	4.4
84.02175	0.9
85.02976	1.5
87.00875	0.5
88.06091	0.3
89.02454	3.0
93.03446	0.6
95.01402	0.3
95.05032	0.6
101.02453	3.6
108.06906	0.3
111.59486	0.3
113.02464	1.9
115.00385	0.3
117.03501	0.4
119.03510	1.0
124.83916	0.3
125.06103	0.3
125.09686	0.3
135.04510	1.0
135.08173	0.4
161.04553	1.3
163.11349	3.2
165.12878	2.5
173.04544	0.9
179.03496	0.6
179.05556	0.5
191.05637	1.2
191.10773	1.0
209.11842	100.0
210.12195	5.9
212.51466	0.4
219.80351	0.3
227.12906	16.2
228.13304	1.0
235.08192	0.5
253.09306	12.6
254.09700	0.8
271.06232	0.3
289.07077	0.3
425.07520	0.3
445.20569	0.4
457.20740	0.3
463.21548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03449	0.5
58.00592	0.5
59.01105	0.8
59.01386	11.0
69.03526	0.4
69.68655	2.2
71.01390	7.2
71.05059	0.4
72.99331	0.7
73.02956	1.5
83.01401	1.4
85.02969	2.0
87.00894	1.1
89.02454	5.0
91.04025	0.4
93.03475	0.6
95.01421	0.6
97.02956	0.4
97.06556	0.5
99.00900	0.5
101.02449	5.5
106.41559	0.4
111.08184	0.5
113.02454	3.8
119.03532	1.5
125.02410	0.8
133.05084	0.6
143.03464	0.6
161.04565	1.6
165.11581	0.7
165.12859	8.1
166.13210	0.7
167.23012	0.3
179.05659	0.5
183.13913	100.0
184.14233	5.0
191.05580	0.6
200.62563	0.3
209.11911	2.4
213.14919	0.5
227.12901	9.1
228.13170	0.5
235.08246	1.4
253.09297	8.3
335.30765	0.4
445.20883	0.9
463.21823	57.9
464.22183	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	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.2
59.01385	100.0
60.01716	1.1
61.98836	29.6
69.29651	9.0
71.01389	26.7
72.21333	0.9
72.99322	1.8
73.02948	2.8
75.00883	1.1
83.01376	1.3
85.02979	7.2
87.00879	1.9
89.02454	34.4
93.03486	2.0
95.01368	1.2
96.96045	1.2
99.00877	1.1
101.02451	16.7
113.02464	12.9
119.03520	12.0
121.02955	1.2
131.03529	2.3
143.03497	3.4
161.04599	5.7
165.09201	1.6
173.04549	1.9
179.05640	9.7
191.05612	4.5
205.12347	4.4
223.13438	1.1
373.18689	8.8
385.18594	3.3
403.19781	24.6
404.19830	2.4
463.12131	1.6
463.22388	1.2
474.62454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60911	0.4
57.03489	0.6
59.01398	2.9
59.93075	0.4
69.91146	2.0
78.95919	6.5
83.26842	0.5
96.96098	1.0
99.32915	0.4
110.98553	6.5
113.09796	1.6
121.02937	0.6
167.01216	1.7
177.12865	0.5
179.14398	0.8
185.02211	5.5
195.13916	18.0
217.00310	1.0
247.90738	0.4
266.49695	0.4
277.21753	14.6
278.22141	0.9
295.22800	100.0
296.23154	8.6
299.99213	0.6
301.00031	0.7
342.12415	0.4
401.27072	1.0
463.24582	18.2
464.24911	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	463.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85181	2.8
59.01384	100.0
61.98834	17.6
62.86324	2.5
64.75470	2.6
70.11979	11.1
71.01361	7.9
73.02939	5.0
78.95910	35.3
85.02957	5.4
89.02453	5.3
91.04005	10.1
93.03466	6.9
95.01414	4.5
96.96021	5.8
96.96996	6.9
98.19957	2.9
101.02470	5.6
107.01409	4.1
111.04591	2.8
113.02450	4.0
121.02943	2.9
123.00922	3.1
134.03700	3.1
146.48840	2.5
151.00404	22.9
152.99593	17.7
159.98717	2.8
167.98669	2.7
169.01434	2.9
171.00638	5.5
171.10245	8.3
173.04538	7.2
183.13872	2.6
190.65013	2.9
191.05577	3.7
199.13419	6.5
209.11882	7.9
211.13376	16.5
227.12901	15.1
229.14391	6.1
299.99100	4.2
311.22272	6.4
329.23355	63.2
330.23508	4.4
355.06720	7.1
463.11874	5.9
463.21240	21.9
463.27890	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	463.307
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
52.50859	0.4
55.96787	0.4
59.01389	25.9
69.46340	0.3
71.01385	0.5
109.06467	0.4
123.46786	0.3
234.85193	0.3
246.23643	0.3
297.22455	0.5
313.25354	3.1
314.25806	0.5
326.29617	0.4
329.28586	1.0
341.28455	1.3
357.31616	7.6
358.31973	1.0
375.32620	3.6
401.30612	22.4
402.30972	3.1
419.31705	3.5
445.29633	1.0
463.30685	100.0
464.31046	13.0
464.37674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01385	9.9
61.98837	100.0
71.01408	5.3
71.05038	2.3
72.99317	1.3
73.02938	0.9
74.02488	0.8
75.00900	3.0
83.05045	0.9
84.20206	0.8
85.02965	4.5
87.00882	0.9
88.74231	0.7
89.02455	2.7
93.03479	2.1
95.01415	1.6
96.95998	3.4
99.00909	1.5
99.04516	1.0
101.02464	2.0
101.06097	5.1
111.04539	0.8
113.02472	3.5
116.03567	1.0
119.03608	1.2
119.05048	1.4
131.03642	0.6
135.04567	1.2
135.98749	0.7
137.02481	2.9
145.02994	0.8
147.04620	0.9
147.74625	0.7
161.04773	1.7
162.05086	0.9
173.04610	3.0
175.02538	0.8
179.03514	1.7
181.31378	0.6
191.05608	4.8
203.07169	1.0
209.11914	1.6
210.12251	1.8
215.12894	1.8
239.05626	1.5
249.06267	2.3
270.10825	0.8
271.10910	1.3
283.11093	1.2
284.11142	3.3
299.07706	0.9
328.84113	0.7
405.21506	1.2
429.14328	0.8
465.14142	0.7
465.19766	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	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19101	0.7
52.48690	0.7
52.89886	0.7
55.10883	0.7
55.19391	0.7
59.01378	4.1
61.98837	100.0
71.01412	0.8
78.95917	7.2
85.02965	0.9
96.96045	2.7
108.02180	0.8
116.92874	1.3
135.04488	0.8
152.01155	0.9
152.99594	9.5
154.00034	1.0
173.25702	0.9
194.40381	0.7
209.84637	0.7
216.59756	0.7
224.32651	0.7
265.07642	1.0
283.08627	1.0
464.16336	3.0
464.21844	1.0
464.31357	1.9
465.32327	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	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
61.98838	100.0
71.01401	0.9
74.33756	0.6
78.95921	2.8
89.23296	0.6
93.03475	1.2
96.96049	2.6
152.99580	4.0
168.89764	0.7
173.04581	0.9
191.05771	1.3
250.14030	0.6
261.09262	0.7
272.69315	0.8
300.99698	0.9
404.20905	3.1
464.05566	1.2
464.22614	3.9
465.15457	0.7
465.22632	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	464.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84290	0.7
59.01385	9.3
61.98838	100.0
69.33776	1.5
69.34187	4.5
71.01409	1.8
75.15563	0.6
81.21870	0.9
85.02982	2.3
87.00841	0.6
93.03487	2.8
96.96055	0.9
111.00887	0.8
111.04562	0.9
135.04550	1.1
137.02452	1.8
173.04596	4.5
179.03627	0.8
191.05606	5.5
229.20528	0.7
231.09348	1.1
232.54845	0.7
257.07205	0.8
259.08780	0.8
260.92596	0.7
441.23679	0.8
442.08115	0.8
464.18173	1.2
465.27203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	0.9
59.01387	10.0
60.84695	0.8
61.00906	0.9
61.98839	100.0
64.73257	0.9
71.01385	1.9
72.27088	0.7
85.02955	1.7
87.00896	1.2
89.02445	1.0
93.03455	2.0
97.06618	0.9
98.20660	3.1
101.02446	1.5
111.04485	1.4
113.02438	1.4
116.05055	0.8
135.04514	1.0
173.04504	3.4
179.03484	1.5
191.05649	3.9
217.15918	1.0
218.77788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08746	0.5
56.57680	0.4
57.03445	0.6
59.01383	12.7
61.98818	0.7
66.40951	0.4
69.81137	2.1
70.28004	0.4
71.01391	4.4
78.54913	0.4
79.95749	2.9
84.74075	0.4
85.02959	1.9
87.00878	0.6
89.02470	4.1
93.03485	0.6
96.96021	100.0
98.20610	0.5
99.04519	0.6
101.02451	2.2
108.02236	0.6
110.92948	0.6
113.02495	1.6
113.92640	0.5
119.03514	2.0
122.06116	0.5
132.09525	0.5
137.02516	0.5
143.03491	0.9
149.09723	1.4
165.00122	1.0
167.01727	1.1
167.10831	2.5
173.04578	1.5
179.05698	2.3
191.05595	4.5
192.99646	4.4
208.99149	0.9
225.14929	0.5
254.07884	0.5
285.12439	4.7
385.06061	1.0
405.21405	3.6
447.09518	0.8
465.01782	2.9
465.24686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
55.01894	0.5
56.69918	0.6
57.03447	0.9
57.22546	0.6
59.01387	5.1
61.98834	1.3
67.01889	1.7
69.03461	1.0
71.01393	6.1
71.05676	1.2
72.99327	0.7
73.02975	1.9
74.02467	2.9
75.02162	0.6
79.01864	0.7
81.03460	1.6
83.01405	1.4
85.02949	5.0
89.02476	0.8
91.01905	1.0
93.03470	1.5
95.01392	2.2
99.00910	1.0
101.02442	3.2
107.01436	2.9
108.02187	69.7
109.02983	37.2
109.03574	0.4
110.03282	1.3
111.00908	1.8
113.02468	2.4
116.03555	2.6
119.03458	0.7
120.69134	0.6
121.02949	0.8
123.00887	3.5
123.04541	5.2
124.01659	1.9
125.02459	2.8
135.00897	2.1
135.04544	3.7
136.01694	0.7
137.02454	1.3
151.00369	3.1
151.03996	1.0
152.01169	78.3
153.01961	36.8
154.02257	1.2
163.04005	1.3
165.01953	1.5
166.02737	1.5
167.03503	16.4
167.04904	1.1
173.04546	2.3
178.99837	0.8
179.03522	2.3
191.05649	3.4
195.03000	1.1
197.62988	0.7
219.03133	0.8
225.04128	0.9
248.26038	0.5
281.06674	0.9
296.05405	1.6
297.06195	8.8
298.06512	0.8
307.28491	0.6
311.07748	5.1
315.07169	5.8
417.87665	0.6
421.11432	6.4
433.07843	5.2
465.10379	100.0
466.10767	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	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03437	4.5
59.01390	21.6
61.98824	2.9
67.01907	1.0
69.03406	1.3
70.67480	0.9
71.01391	16.8
71.56400	1.6
72.99298	1.3
73.02964	5.7
73.03294	0.9
74.02479	16.0
75.00881	2.0
81.03447	2.0
83.01382	3.2
85.02963	31.2
87.00893	2.9
87.25456	0.9
87.53020	0.9
89.02457	8.4
90.88452	1.0
91.01885	1.1
91.16024	0.9
93.03477	6.6
95.01390	3.9
96.96003	1.6
98.02455	1.6
99.00888	1.6
101.02467	9.3
107.01392	3.2
108.02187	68.6
108.61616	0.9
109.02978	44.4
110.03311	1.0
111.00875	3.3
111.04517	1.4
113.02460	6.7
116.03559	17.0
117.03851	1.1
119.57282	1.2
119.64325	1.0
120.99654	2.0
121.02930	1.6
123.00881	5.3
123.04547	6.3
124.01649	1.9
125.02450	4.8
125.09722	1.3
128.29633	1.0
129.01959	1.4
133.01476	1.0
133.02898	1.2
135.00894	3.0
135.04556	7.7
137.02477	4.5
143.03558	1.2
147.02971	1.3
149.02475	1.0
150.03220	1.5
151.00328	2.6
151.04021	1.4
152.01172	77.7
153.01964	46.8
154.02272	1.3
161.04541	3.7
163.03940	1.7
166.02747	1.1
167.03510	16.2
168.03955	1.4
172.05147	1.1
173.00819	1.3
173.04581	12.6
174.03169	2.1
177.01892	1.6
179.03590	2.1
179.05621	1.7
183.98946	1.0
191.02061	5.9
191.05624	14.5
195.02998	1.9
200.04729	2.4
201.09181	1.7
203.07112	2.3
205.05063	1.3
207.13910	1.1
209.02994	10.2
229.08746	4.9
229.14456	4.3
247.09778	3.6
255.06633	1.3
267.07248	3.7
273.07751	3.7
285.12204	1.0
291.08737	3.5
296.05298	1.6
297.06210	8.1
311.07727	3.9
315.07291	5.2
353.08603	1.1
405.21326	5.1
421.11478	4.5
422.12167	1.5
429.14191	1.2
433.07828	4.7
464.28543	3.7
465.10349	100.0
465.28366	4.4
466.10733	8.6
466.19254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95544	0.9
59.01386	56.5
63.83803	0.8
69.68414	4.1
69.68828	1.6
70.14580	1.0
71.01395	1.5
74.28305	0.8
75.00879	1.1
86.22825	0.9
89.02469	1.1
134.19588	1.0
137.02509	2.4
164.74170	0.8
165.01938	37.8
166.02232	1.5
180.04300	27.2
181.04715	1.1
195.06641	100.0
196.07021	5.1
243.08713	18.0
277.66528	0.9
313.11322	1.3
451.19202	1.0
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
51.87568	0.5
55.01893	0.6
57.03449	1.7
59.01384	100.0
60.01725	0.8
61.98836	16.4
69.03461	0.8
69.19627	5.4
71.01385	13.6
71.05041	1.0
72.99320	1.0
73.02967	1.9
74.02455	0.8
75.00894	1.0
77.99207	0.5
81.03468	4.7
83.01395	1.3
83.05037	1.1
85.02966	5.6
87.00900	2.0
88.38046	0.6
88.65711	0.5
89.02454	15.3
93.03461	4.4
95.01427	0.7
95.05042	2.1
96.96007	3.9
97.02979	0.7
99.00929	0.7
99.04526	5.9
99.57851	0.5
101.02448	7.7
101.06136	0.6
109.02978	2.6
111.00863	1.1
111.04570	1.0
113.02463	6.6
119.03522	6.2
121.03046	0.9
123.04559	2.2
125.02448	8.3
127.04030	1.4
128.03517	0.6
129.02005	0.6
131.03456	0.8
133.02963	3.5
135.04553	3.5
137.02461	3.6
139.04045	1.6
143.03513	1.8
145.05080	5.7
147.04512	0.5
149.02460	0.7
149.09782	0.7
151.04039	0.8
153.01936	0.5
155.03568	0.6
161.02538	0.8
161.04607	3.5
161.05864	0.7
163.04027	0.8
165.05594	0.6
165.58487	0.5
167.03514	30.0
167.10834	1.1
168.03883	1.0
172.05344	1.5
173.04585	8.3
173.06044	1.0
174.03308	2.7
175.03970	1.2
177.02040	1.2
179.03502	1.4
179.05627	5.0
189.05605	2.2
189.09242	0.9
191.05643	12.7
193.01424	1.1
197.04573	5.7
200.04826	1.3
203.07152	0.7
209.04594	1.2
215.07220	0.6
229.08723	3.8
235.02504	5.0
243.16087	1.4
247.09798	4.4
248.04105	0.6
253.55592	0.6
265.03458	0.7
273.07739	6.5
281.06744	1.6
285.12619	1.1
287.07840	2.4
291.08868	2.7
327.05344	1.0
345.06134	8.3
375.07297	0.9
405.21289	17.2
406.21902	1.4
456.17746	0.5
464.46146	0.6
465.14023	2.3
465.19452	1.7
465.24002	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17013	0.4
57.03452	0.8
58.00597	0.5
59.01387	100.0
60.01722	0.7
61.98830	2.0
64.17319	0.4
66.07677	0.4
71.01386	7.7
71.13435	0.4
72.99295	0.9
81.36215	0.4
85.02966	2.0
87.00887	1.0
89.02457	11.5
93.03465	0.5
95.01383	0.6
96.96020	2.9
99.00951	0.5
101.02451	5.6
108.80971	0.4
113.02455	4.3
119.03524	6.2
125.02477	0.5
130.57948	0.4
131.03526	0.7
133.66539	0.4
135.04581	0.5
140.07225	0.9
141.07576	0.6
143.03494	2.0
147.04520	0.4
149.04578	0.6
161.04582	2.7
162.84586	0.4
167.03561	0.5
167.10802	0.7
179.05652	4.4
191.05679	1.8
192.22958	0.4
208.99211	0.5
211.63608	0.4
229.08855	0.7
229.35976	0.4
273.07968	0.7
404.26605	0.5
405.21417	4.6
455.95450	0.4
466.24124	0.5
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
50.31018	1.0
57.03448	5.9
58.00620	1.1
59.01385	100.0
61.98830	4.9
65.62111	1.1
67.65585	1.0
70.87466	2.6
71.01390	31.0
72.99310	2.2
79.95759	1.6
85.02956	8.1
87.00901	1.6
89.02453	37.8
95.01393	1.3
96.96019	24.8
99.04544	1.4
101.02452	16.1
113.02458	12.9
119.03518	16.4
123.92047	1.0
131.03484	2.2
134.07353	1.4
135.04538	2.3
137.09821	1.3
139.07646	2.1
143.03503	4.7
149.09735	24.3
151.04013	3.2
153.09207	7.6
159.03082	1.3
160.91609	1.0
161.04567	8.2
165.00198	2.3
167.10788	41.4
168.11140	2.5
173.04552	1.5
179.03503	3.1
179.05630	11.0
179.07082	1.9
191.05585	4.4
201.01778	2.3
208.18001	1.2
225.15016	7.5
243.15994	5.8
247.09819	1.2
273.07742	1.9
375.06995	5.1
385.06390	1.2
405.21332	39.7
406.21674	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.4
58.00594	1.2
58.55152	0.8
59.01386	100.0
61.98820	1.5
68.70110	0.8
69.39561	7.2
71.01393	29.5
73.02937	1.2
78.95906	5.2
79.95736	2.5
84.25557	1.0
85.02954	4.9
87.00887	2.4
89.02454	38.9
89.03012	2.1
93.03452	1.6
95.01406	1.2
96.96022	89.1
96.97004	2.3
99.04543	1.5
101.02448	17.0
113.02457	15.0
119.03520	15.6
121.01010	1.0
125.02483	1.2
131.03577	2.0
133.02998	1.0
135.04599	1.2
143.03505	3.8
149.04530	2.1
149.09729	15.6
150.10150	1.1
161.04562	4.9
165.00160	2.2
167.01749	1.8
167.10791	34.4
173.04553	4.1
179.05638	13.3
189.36545	0.9
191.05627	12.2
192.99634	8.3
208.99141	2.2
225.14958	7.6
243.15999	1.5
285.12460	2.7
357.53284	1.1
385.05853	1.4
405.21326	31.9
406.21524	2.6
447.00592	1.3
465.01636	3.3
465.14682	1.4
465.23773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03458	1.1
59.01385	100.0
60.01718	0.8
61.98833	1.9
65.09303	0.3
66.40730	0.2
69.03476	0.6
69.62568	0.2
70.03500	0.6
70.03900	0.5
71.01392	5.8
72.99326	0.7
73.02961	3.0
75.00855	0.4
78.78141	0.3
81.03479	0.5
83.01391	1.6
83.05040	0.6
84.02190	0.3
85.02959	8.4
86.00124	0.3
87.00883	6.4
87.04482	0.3
89.02458	1.5
93.03485	1.0
95.01412	0.5
95.05072	0.4
96.35480	0.3
96.96023	0.4
97.02969	0.7
97.06600	0.6
98.20603	0.3
99.00889	1.3
101.02453	5.4
107.05081	0.4
108.02198	0.9
109.03021	0.5
110.03792	0.5
111.00915	0.5
111.04527	0.5
113.02472	5.1
115.04012	0.3
121.02998	0.5
123.04536	2.6
125.02486	1.3
125.06104	2.8
127.11301	0.7
129.01976	0.4
129.12892	0.5
131.03564	0.4
135.04556	0.6
137.02478	0.4
139.04004	0.6
140.43225	0.2
141.05566	1.5
143.03554	0.7
151.04080	0.4
153.05609	0.7
159.03024	0.6
161.04561	1.8
163.04053	0.4
169.05099	1.1
173.04503	1.3
173.11880	0.3
191.05637	1.4
215.16591	0.3
291.18164	4.7
321.95389	0.3
331.17560	2.8
331.20721	0.3
375.16739	0.6
387.20322	0.4
405.15915	0.6
405.21298	9.1
406.21729	1.2
423.22372	9.6
423.28088	0.5
424.22882	1.0
465.23193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.6
59.83556	1.1
61.98837	100.0
70.11052	4.2
71.01379	2.7
78.95917	6.9
85.02966	6.1
89.02464	0.9
90.04152	1.0
93.03481	4.3
101.02454	1.3
107.87431	0.8
108.52200	1.0
111.04530	1.4
113.02458	1.4
134.03741	1.6
135.04523	1.8
149.21495	1.0
152.99600	1.5
173.04558	7.3
176.03828	1.0
178.02701	1.2
189.17769	0.9
191.01959	1.0
191.05632	4.1
248.57634	0.9
263.74844	1.0
288.08920	1.1
293.10345	1.0
348.64822	1.1
372.15439	1.0
408.25159	1.1
466.14334	2.1
467.15430	2.2
467.26471	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	466.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
57.78298	0.9
59.01386	16.0
61.98835	100.0
70.11335	4.0
71.01389	2.6
78.95914	7.9
85.02953	6.4
87.00909	1.4
93.03463	4.1
96.96021	2.0
98.19911	1.2
101.02473	1.6
109.02955	1.5
129.21964	1.1
134.03717	1.5
135.04555	2.6
145.02951	1.3
152.99643	1.4
173.04572	8.2
178.02710	1.6
179.03500	1.8
191.01955	1.5
191.05663	6.0
349.21686	1.1
449.14514	1.9
466.14346	1.8
467.27213	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	468.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49396	0.4
57.03474	0.4
59.01386	1.1
61.98838	100.0
71.01408	0.8
71.54764	0.3
71.55225	0.5
79.95751	0.6
85.02977	1.4
86.00226	0.4
89.02467	0.5
93.03479	0.5
96.96023	30.2
110.84747	0.3
120.96232	0.4
137.02487	0.6
141.59273	0.3
144.06815	0.4
150.88069	0.4
166.98055	0.4
173.04530	0.5
191.02063	0.7
203.66490	0.4
209.03029	2.3
219.71547	0.4
249.62286	0.4
272.17258	0.4
289.02383	0.4
371.09793	0.5
380.87842	0.4
433.13687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08061	0.4
59.01390	2.7
61.98837	100.0
69.74130	3.1
71.01373	1.0
78.09695	0.5
78.50755	0.6
85.02968	3.4
85.97823	0.5
89.02448	1.2
93.03475	1.4
96.96016	5.5
98.95598	0.8
101.02433	0.6
115.64828	0.5
116.05105	1.3
137.02490	3.6
165.01906	2.9
173.04593	0.7
179.03555	1.2
180.04337	2.1
191.05656	0.6
195.06647	3.5
203.08292	4.2
209.03197	0.6
225.07758	1.0
333.97980	0.5
433.13275	3.0
452.38733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09575	1.6
57.03437	2.1
59.01108	2.5
59.01387	36.5
61.74717	1.4
61.98825	2.6
70.95442	3.5
71.01395	17.2
72.99310	2.0
73.02945	2.3
82.62827	1.5
83.01339	1.8
83.32683	1.8
85.02951	13.8
89.02458	8.7
92.68214	1.5
93.03459	2.5
96.31602	1.6
96.41449	1.5
96.91844	1.4
96.96022	100.0
101.02471	8.3
108.02179	12.6
109.03005	7.9
111.00908	3.8
113.02431	6.9
120.01278	1.6
120.65498	1.6
123.00967	1.7
124.64288	1.7
125.02435	2.4
131.03491	2.5
133.01379	1.9
135.04477	1.9
137.02451	6.4
149.04546	5.7
152.01160	11.1
153.01956	31.2
159.03027	1.6
161.04593	6.7
165.01956	10.6
173.00870	2.5
175.00247	8.0
177.71225	1.7
179.03522	3.4
180.04277	7.3
182.65204	1.6
191.01981	3.8
191.05624	6.9
193.01169	5.8
195.06657	12.9
209.03076	14.7
225.07603	4.4
293.08868	9.2
337.05432	11.6
409.16931	3.2
421.15091	1.9
433.13388	11.5
469.09729	34.9
470.10114	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	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01387	10.9
61.98827	1.0
68.99818	1.0
69.48681	0.6
71.01390	10.4
72.99303	3.0
73.02961	1.1
75.00877	11.8
83.01412	1.1
85.02959	13.9
87.00871	4.5
89.02469	2.0
91.01900	0.9
91.05515	0.8
93.03476	0.9
95.00896	0.6
95.01387	3.8
96.96018	0.6
99.00900	7.7
101.02423	0.9
101.06091	75.8
102.06422	2.2
103.00375	1.3
111.00874	1.0
113.02455	16.8
115.00375	1.6
117.01962	1.8
117.03472	5.2
117.38586	0.6
128.75664	0.6
129.01932	1.0
134.03787	1.2
135.00905	0.7
152.01125	1.4
157.01445	0.8
175.02457	1.7
231.05103	1.0
243.06538	3.3
249.06155	10.5
249.08571	1.1
267.07141	2.1
333.11902	2.8
351.12991	100.0
352.13345	7.8
387.11050	1.8
469.17120	9.2
470.17645	0.9
472.14359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.4
61.98837	1.3
66.22389	0.4
67.01882	0.6
70.87482	1.3
71.01376	0.8
85.02959	1.1
89.02494	0.5
93.03475	0.7
101.02465	1.0
109.02973	0.5
112.03754	0.4
113.39054	0.5
121.03053	0.5
135.04514	1.0
136.01657	1.0
137.02461	12.6
142.00244	0.5
148.05368	0.6
151.03993	1.0
161.04631	0.5
163.04179	0.8
163.07669	1.2
164.01149	1.2
165.01945	73.2
166.02299	3.1
179.03514	14.6
180.04303	47.2
181.04759	2.7
191.05569	0.6
194.05806	3.4
194.50258	0.5
195.06642	100.0
196.06966	4.6
210.05350	6.9
225.07700	30.9
226.08070	2.0
243.08708	3.4
251.07431	0.7
263.09186	0.9
265.07065	0.7
331.08243	1.8
345.09601	0.7
346.10507	1.7
361.12979	5.5
421.15085	15.5
422.15509	1.6
461.98676	0.4
469.17703	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.3
59.01384	51.0
61.98832	1.9
67.01891	2.5
69.30706	9.1
71.01384	10.3
72.99322	1.1
73.02955	2.5
75.00871	1.1
77.11735	0.9
83.05021	1.1
85.02959	19.9
86.03295	3.4
87.00900	1.9
87.03407	1.0
89.02439	5.9
93.03453	8.2
94.03822	1.9
95.01398	2.5
97.02937	2.1
99.04508	1.5
101.02450	5.9
109.02941	1.3
111.00883	3.0
111.04526	1.5
113.02457	9.4
119.03498	2.6
123.04533	1.4
123.07265	1.5
123.08171	30.1
129.01955	2.2
133.02956	3.9
134.03764	11.4
135.04465	7.7
135.08162	3.7
136.04948	1.4
137.02451	4.1
137.09814	1.7
147.03075	1.7
155.03528	1.3
161.04564	3.1
161.09723	1.7
173.04564	13.0
174.04900	5.1
175.05022	6.1
177.01950	2.9
178.02701	6.6
179.03447	5.0
179.05612	2.2
180.03320	3.8
181.04008	2.2
191.01978	3.6
191.05655	2.5
193.02336	1.3
201.12918	1.5
203.14421	44.9
204.14755	3.2
215.10597	1.0
227.14441	3.5
243.13910	1.6
245.15430	1.9
247.13408	100.0
248.13724	7.0
259.12772	1.1
261.14963	5.4
261.17358	1.1
271.13309	3.6
275.09210	2.3
276.09576	2.2
277.09781	4.4
289.14450	16.7
290.14810	1.9
293.10333	5.7
294.10587	4.9
295.10880	7.9
319.15497	3.6
397.99176	1.0
409.18985	1.2
423.19354	1.0
451.15189	2.0
469.16364	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	469.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
58.00584	1.9
59.01384	63.1
61.98837	2.0
67.01881	1.9
71.01392	13.1
71.82562	1.5
73.02957	2.7
80.96526	3.1
85.02960	26.7
86.03293	3.7
87.00875	1.7
89.02451	6.1
92.86106	1.4
93.00030	1.4
93.03461	12.7
94.03780	2.3
95.01393	1.8
97.02946	2.0
101.02457	8.5
108.02222	2.0
109.02947	1.7
111.00892	2.1
111.04510	2.9
111.93012	2.5
113.02473	9.2
118.66486	1.6
119.03544	3.5
123.08176	28.0
129.01913	2.0
133.02962	3.9
134.03767	18.0
135.04460	10.0
135.08168	5.1
136.04918	1.9
137.02454	6.0
138.02715	1.8
139.02890	1.4
147.02989	2.8
161.04524	2.6
173.04562	19.2
174.04907	4.8
175.05049	5.7
177.01927	6.1
178.02657	10.0
179.03433	7.7
179.05656	2.0
180.03232	2.8
190.02904	2.1
191.01894	2.4
191.05666	8.0
203.14420	42.8
204.14786	2.3
205.05150	2.2
217.12355	1.6
227.14380	3.9
243.13875	1.8
245.15352	1.9
247.13411	100.0
248.13721	5.8
261.14941	7.7
271.13483	4.7
275.09256	3.1
275.85913	1.7
276.09607	2.6
277.09775	5.0
289.14505	18.6
293.10257	4.9
294.10663	4.1
295.10822	8.8
319.15503	2.1
451.15091	2.1
469.15970	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	469.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67618	4.1
57.03460	6.6
59.01381	43.9
61.98845	36.3
69.04564	5.2
69.66840	27.8
71.01396	18.0
72.99338	6.5
80.91724	4.4
83.05013	7.4
85.02957	63.2
86.03281	14.6
87.00891	10.3
89.02451	15.3
93.03482	43.1
94.03811	10.9
96.96043	7.9
97.06562	5.3
99.92584	16.6
101.02465	10.5
108.02167	5.0
109.02943	12.8
111.00898	8.6
111.04541	8.0
113.02479	8.5
115.92086	26.1
116.92884	100.0
120.99682	6.3
121.03002	6.8
121.79910	5.0
133.02962	11.9
134.03778	46.0
135.04611	35.6
137.02446	22.3
137.23354	5.0
152.01237	5.2
161.02383	5.9
173.04565	70.1
174.04929	25.9
175.05037	19.0
177.01921	9.7
178.02693	14.8
179.03419	16.0
190.02820	6.7
191.02008	10.3
191.05643	22.0
205.05072	11.7
209.03107	9.4
293.10315	23.1
294.10611	21.9
295.10867	25.0
383.04593	5.5
433.24255	19.1
451.15170	9.2
469.15833	32.2
469.22040	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67618	4.1
57.03460	6.6
59.01381	43.9
61.98845	36.3
69.04564	5.2
69.66840	27.8
71.01396	18.0
72.99338	6.5
80.91724	4.4
83.05013	7.4
85.02957	63.2
86.03281	14.6
87.00891	10.3
89.02451	15.3
93.03482	43.1
94.03811	10.9
96.96043	7.9
97.06562	5.3
99.92584	16.6
101.02465	10.5
108.02167	5.0
109.02943	12.8
111.00898	8.6
111.04541	8.0
113.02479	8.5
115.92086	26.1
116.92884	100.0
120.99682	6.3
121.03002	6.8
121.79910	5.0
133.02962	11.9
134.03778	46.0
135.04611	35.6
137.02446	22.3
137.23354	5.0
152.01237	5.2
161.02383	5.9
173.04565	70.1
174.04929	25.9
175.05037	19.0
177.01921	9.7
178.02693	14.8
179.03419	16.0
190.02820	6.7
191.02008	10.3
191.05643	22.0
205.05072	11.7
209.03107	9.4
293.10315	23.1
294.10611	21.9
295.10867	25.0
383.04593	5.5
433.24255	19.1
451.15170	9.2
469.15833	32.2
469.22040	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
64.25509	0.7
67.01903	1.2
71.01378	2.9
71.20512	0.9
72.99346	0.8
73.02972	1.0
76.14289	0.8
80.61407	1.0
85.02975	9.2
87.00894	1.8
93.03461	3.9
96.96027	1.4
98.20696	1.2
99.80213	0.8
105.01962	0.9
109.02943	1.5
111.00883	7.9
111.04551	1.4
113.02438	1.0
118.05179	1.0
119.03496	0.9
119.52699	0.9
120.99664	2.1
121.21838	1.0
121.41032	0.8
127.04015	2.3
128.03548	5.3
129.01935	1.0
133.02998	1.4
135.04543	4.0
137.02483	1.0
152.01143	1.9
153.77966	0.8
154.99821	1.1
161.02388	1.5
171.03004	0.9
173.00903	5.6
173.04524	3.1
179.03564	4.2
191.02008	3.6
191.05626	100.0
192.05975	4.0
273.16901	1.0
315.06903	1.2
353.08829	11.1
470.09985	1.2
471.11224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
60.79160	0.4
61.98849	0.5
65.03958	0.6
69.23462	1.2
69.23888	2.6
71.01399	1.8
72.17546	0.4
72.99333	0.4
73.02967	0.9
80.50390	0.4
85.02950	2.0
87.00890	0.7
89.02469	0.9
93.03462	2.0
96.96015	0.9
98.19916	0.6
99.92598	8.4
100.92648	0.5
101.02460	1.5
101.20856	0.4
107.05133	0.4
108.02219	0.8
109.02959	3.6
111.00941	0.5
111.04539	0.6
113.02448	0.6
114.01981	0.6
115.92082	0.9
116.92872	100.0
117.92197	0.6
117.92899	4.6
119.05080	1.0
120.02279	0.5
120.99648	2.4
127.04075	0.4
132.63243	0.4
133.03081	0.4
135.04523	1.7
137.02467	1.0
145.02997	0.4
153.01994	3.5
155.03545	0.6
161.02545	0.5
161.04599	1.1
163.04021	0.8
165.01868	1.1
166.02254	0.9
173.04526	2.4
175.03992	0.6
177.01996	0.5
179.03470	1.2
180.04182	0.6
185.07300	0.4
189.05522	0.6
190.06421	0.4
190.48436	0.4
191.05644	5.5
195.06671	1.4
196.06972	0.4
199.94791	0.4
216.96014	0.8
261.76007	0.5
279.14368	0.6
304.97562	0.6
353.08701	0.6
391.01230	5.2
411.18799	1.5
453.01553	0.5
453.18552	0.5
471.11420	2.1
471.15930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1148
Annotation	Clofazimine
Peak:m/z	Relative Intensity
50.55438	0.7
51.55445	0.7
57.03439	0.9
59.01380	3.1
60.01963	0.7
60.84566	0.6
61.98824	1.2
67.40937	0.7
69.03456	1.7
69.79604	1.3
69.80019	2.9
71.01395	7.8
73.02948	2.8
73.62740	0.7
81.03468	2.6
83.01405	3.4
83.05037	3.2
85.02950	5.0
87.00865	0.8
89.02449	0.8
93.03465	13.1
95.01392	3.3
96.96027	4.1
99.00877	1.8
99.04523	1.1
101.02459	2.4
108.02188	46.9
109.02971	38.3
111.00879	3.1
111.04536	8.9
113.02465	2.6
116.92865	3.6
120.99667	1.1
121.02953	1.7
123.00893	1.8
125.02459	1.0
127.04015	1.7
128.81804	0.7
129.02005	0.8
133.02971	2.1
135.04576	1.2
137.02472	11.8
151.04019	1.2
152.01176	59.4
153.01970	22.9
154.02211	0.8
155.03529	2.3
161.02431	0.8
161.04430	0.8
163.04018	2.0
165.01958	1.9
173.04575	3.1
175.74533	0.6
177.01959	1.1
179.03517	1.9
191.05620	1.9
193.05104	0.8
315.07257	19.8
316.07645	1.9
367.48141	0.7
433.13553	7.6
434.13815	1.1
435.09000	1.0
435.14206	1.4
453.10397	6.9
454.10675	1.2
471.11450	100.0
472.11655	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	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28849	0.5
55.01882	0.5
57.03447	1.4
59.01384	9.2
61.98836	0.6
65.03934	0.5
69.03477	0.4
69.24249	0.4
70.35619	0.4
70.72043	1.3
71.01389	8.5
72.96002	0.4
72.99329	2.5
73.02968	0.9
75.00888	5.4
83.01403	1.0
85.02969	8.4
87.00890	2.6
89.02460	1.7
93.03471	48.6
93.07117	0.4
94.03780	1.3
95.01408	1.7
97.02987	0.5
99.00903	4.4
100.23283	0.4
101.02467	0.9
101.06094	19.1
102.06426	0.6
103.00413	1.0
103.99642	0.4
113.01710	0.7
113.02461	8.2
115.00395	0.9
117.01952	1.3
122.71481	0.5
131.03516	0.4
135.04536	0.6
137.02461	100.0
138.02776	2.5
157.01442	0.4
175.02478	1.8
193.03543	2.0
193.05141	0.7
249.06224	3.6
274.22235	0.4
295.11890	2.6
333.11884	4.8
351.12888	5.4
369.08154	1.1
387.09296	0.9
388.75867	0.4
453.14182	0.6
471.15121	30.6
471.25745	1.0
472.15338	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96592	0.6
55.69886	0.5
57.03522	2.4
58.00642	0.9
59.01123	2.0
59.01451	23.1
61.98916	0.7
69.25419	5.7
71.01046	1.0
71.01469	13.4
72.99387	2.3
73.03011	1.3
75.00941	0.6
81.03487	0.6
81.59562	0.6
83.01466	1.4
85.02479	1.5
85.02959	18.9
86.03389	0.7
87.00943	1.3
89.02454	12.8
93.03544	1.5
95.01466	1.0
96.96021	4.5
99.01019	0.8
99.04576	0.9
100.39307	0.6
100.57771	0.7
101.02461	9.2
103.03403	1.8
103.04023	32.3
104.04430	0.7
107.34912	0.7
109.03033	0.9
111.00984	0.7
113.02471	6.4
115.92151	0.7
116.92942	1.9
117.03579	0.6
117.92963	0.6
119.01464	1.1
119.03524	4.8
121.02956	3.8
125.02615	0.7
133.03079	0.7
134.03859	2.3
135.04660	2.5
145.05156	1.4
147.01007	0.8
147.04649	2.1
147.29109	0.7
148.01729	1.0
149.02455	25.4
150.03091	1.2
152.01253	1.6
160.01779	0.7
163.04077	4.3
164.04811	21.3
165.05580	1.8
173.04631	1.4
175.00354	6.3
176.01222	2.7
177.05656	1.5
178.02847	0.8
178.06374	0.7
179.03618	0.9
179.05748	0.9
179.07259	2.3
181.05220	0.7
188.04958	1.3
190.02744	19.5
191.03587	8.9
191.05647	1.6
191.07292	0.8
193.01555	0.7
193.05161	1.5
201.47249	0.7
205.05064	25.8
206.05835	9.4
207.03134	3.5
207.05719	0.7
208.03864	2.1
209.04758	1.2
221.08186	7.9
222.05426	0.9
222.08630	0.7
223.06137	27.3
224.06648	1.8
235.02573	1.0
235.06084	1.0
237.07706	3.4
247.08325	0.8
250.04900	2.7
265.07138	12.1
265.09396	100.0
266.09781	5.2
281.85440	0.6
295.08249	2.5
298.93057	0.7
325.09286	6.9
367.10367	2.1
385.11194	1.0
471.15027	61.9
472.15494	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	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	1.1
61.98832	1.7
67.36952	0.4
71.01392	3.2
73.02967	1.1
83.01390	0.7
83.05050	0.5
85.02968	1.3
87.00933	0.4
89.02465	1.7
93.03492	0.8
95.01411	0.3
96.96049	0.9
97.02876	0.4
99.00917	0.4
101.02454	1.9
113.02465	1.9
119.03527	0.9
120.99689	0.9
121.02981	4.2
133.03001	0.6
134.03749	0.4
135.04619	0.6
137.02625	0.3
145.06715	0.4
151.99442	0.7
160.01707	0.4
161.04591	0.6
167.03575	0.6
173.04617	0.9
179.03568	0.4
191.05640	0.5
200.00990	0.6
223.80853	0.4
243.04773	2.0
249.15074	0.8
290.00522	0.3
291.19714	0.6
311.60501	0.4
316.45844	0.3
374.06439	0.9
411.24429	0.6
429.25058	0.7
471.26059	0.6
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
55.01876	1.7
57.03457	3.1
58.00624	1.6
59.01392	33.8
60.48312	1.3
61.48903	1.3
61.98817	1.7
68.04646	1.4
69.62708	8.2
71.01392	42.4
72.99332	1.5
73.02961	15.8
83.01375	7.9
85.02963	18.2
87.00867	3.5
87.51482	1.3
89.02473	8.7
93.03453	2.8
95.01397	1.7
96.96022	2.8
97.02908	2.6
99.00885	5.9
99.92620	3.4
101.02461	40.0
108.02160	3.5
109.02944	4.9
111.00887	2.9
113.02466	17.5
116.92869	19.5
119.03514	1.7
120.01225	1.7
120.99661	4.7
123.04502	1.6
129.01932	1.9
131.03496	1.6
133.02937	3.3
133.76976	1.3
135.04526	1.5
137.02457	2.5
143.03571	1.7
145.02959	2.3
146.02487	1.9
152.01146	3.4
159.02977	3.9
160.02766	1.9
161.04581	18.1
163.04054	2.0
165.02045	1.5
173.04588	3.5
176.02283	16.2
177.01897	24.1
178.19492	1.6
179.03424	2.2
191.05638	15.9
192.05936	2.9
224.91333	1.4
279.14517	100.0
280.14853	5.8
330.48703	1.7
391.01288	1.9
411.18774	72.1
412.19104	5.7
471.11838	16.4
472.12372	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	471.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18663	1.8
59.01383	9.8
61.98815	2.1
71.01374	2.7
71.12437	2.7
73.02956	2.8
75.78992	1.6
83.01364	2.6
83.05031	2.8
85.02978	3.5
96.96036	2.1
101.02463	2.2
103.04578	1.7
113.02466	3.8
125.09712	5.0
153.09193	2.2
171.10316	2.7
199.09721	3.5
200.10692	3.0
201.11287	3.6
291.19806	12.2
298.14984	1.7
309.20749	100.0
310.21057	8.1
443.75226	1.8
471.27158	3.5
471.33740	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	471.3118
Annotation	Comnostin D
Peak:m/z	Relative Intensity
53.02731	0.7
58.98126	0.8
59.01392	1.1
71.05031	1.0
73.02962	0.7
82.92155	0.7
83.05042	1.1
93.03474	1.4
95.05029	0.8
135.08162	2.7
150.49823	0.7
297.22217	2.4
313.25436	2.5
341.28513	2.5
367.29999	2.6
383.33197	100.0
384.33542	9.8
397.31171	4.1
427.32166	66.7
428.32507	9.3
471.30997	16.4
471.35535	7.7
472.31174	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	471.3483
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
59.01397	3.3
69.57636	8.4
71.05017	1.9
78.90144	1.2
98.19924	2.4
111.08186	2.5
164.17336	1.5
169.83801	1.2
189.12848	1.4
191.14505	2.6
199.17046	1.6
205.15936	2.6
207.17622	5.9
229.13622	1.4
263.16553	6.6
265.18091	1.9
284.02176	1.6
427.36072	17.7
428.36292	1.6
466.70444	1.4
471.34927	100.0
472.35422	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	CHEBI:67911
Peak:m/z	Relative Intensity
52.80869	0.4
55.79522	0.4
59.01365	0.4
60.22095	0.3
69.55613	2.1
71.01389	0.7
85.06601	34.5
86.06934	1.0
86.51717	0.4
95.05037	1.0
97.06600	3.0
115.92113	1.7
123.08195	0.5
129.27957	0.4
144.92369	0.4
147.11977	0.3
158.03380	0.3
167.45456	0.3
297.22269	1.1
313.25385	7.1
314.25775	0.7
329.28491	5.9
369.31522	0.4
373.27426	0.6
377.28568	1.2
385.34772	18.5
386.35321	2.6
393.31647	4.9
394.32022	0.6
409.29575	0.6
409.34805	8.7
410.35040	1.0
427.35825	6.4
428.36255	0.6
453.33563	1.5
457.90851	0.4
471.34824	100.0
472.35178	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	472.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84376	0.4
55.77501	0.4
59.01385	4.4
61.98836	100.0
67.82980	0.5
71.01396	1.8
71.54967	0.5
75.00874	1.0
80.36221	0.4
83.01371	0.5
85.02968	1.5
87.00913	0.6
89.02482	1.6
93.03468	1.1
96.96010	4.0
101.02476	1.7
108.02225	0.5
109.02967	2.5
111.00887	1.1
112.95764	0.4
113.02464	0.6
118.03048	0.5
120.99676	0.5
123.04519	0.4
129.32822	0.4
130.36606	0.4
133.03011	0.7
134.04716	0.6
135.04546	3.3
149.02545	0.6
149.04602	0.6
149.06097	1.6
152.01135	0.5
153.01936	0.5
153.05530	0.5
160.04065	1.5
161.02473	0.8
162.03276	1.1
163.04047	1.1
173.04645	0.9
175.04097	1.0
177.05577	5.2
179.03558	1.2
189.05644	0.5
191.01964	0.5
191.05612	6.7
193.05013	0.6
203.03488	0.5
208.07268	0.4
221.04567	5.7
231.06784	0.5
249.08144	0.5
311.00546	1.1
311.07748	6.3
413.11166	0.5
414.73517	0.5
439.71924	0.5
473.03607	0.7
473.12469	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	472.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88333	0.5
59.01387	2.6
60.12490	0.5
61.98838	100.0
71.01395	1.4
74.05811	0.5
76.57643	0.5
77.64791	0.5
85.02982	1.8
85.89254	0.5
89.02480	1.7
89.73542	0.5
93.03513	0.8
96.96015	2.6
101.02452	0.9
109.02990	1.8
111.00883	0.8
113.02460	0.7
125.02485	0.6
131.03548	0.7
135.04555	2.0
137.02464	1.1
139.04099	0.5
149.04642	0.8
161.02545	0.9
161.04721	0.7
173.04605	0.5
177.05620	2.2
179.03558	0.8
191.03883	0.7
191.05620	5.3
193.05125	0.7
210.07767	1.1
219.02965	0.6
219.95444	0.4
221.04605	4.0
245.17644	0.5
285.76254	0.5
293.06754	0.7
311.01111	0.5
311.07822	4.8
332.63000	0.5
354.29318	0.5
383.09891	0.8
425.60336	0.6
458.90439	0.5
472.10898	0.6
473.13452	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	472.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95826	1.1
57.03441	1.2
58.00590	2.4
59.01387	48.6
65.81192	1.1
70.19038	4.3
71.01391	35.2
71.01784	2.2
72.99319	2.0
73.02969	1.2
73.83990	1.0
83.01420	1.2
84.71507	1.3
85.02966	5.7
86.97157	1.2
87.00882	3.3
89.02454	50.6
95.01416	1.7
101.02456	17.3
102.02821	1.4
113.02460	17.5
117.21498	1.1
119.03521	16.0
130.08755	48.3
131.03529	2.6
143.03514	4.4
149.04486	1.4
161.04585	5.1
179.05641	27.0
179.07202	1.7
180.05965	1.4
191.05666	3.5
202.46991	1.1
283.22821	1.2
320.91501	1.3
341.10919	100.0
342.11371	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	473.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34938	0.9
59.01385	32.9
66.35059	1.2
69.17276	1.0
69.56361	6.4
71.01386	19.5
72.99312	1.8
73.02938	2.9
83.01385	2.4
85.02958	5.4
87.00886	38.7
89.02455	15.5
93.03500	1.2
95.01397	1.4
98.18294	1.0
98.19775	1.0
101.02464	13.1
101.35445	1.0
105.01942	1.9
113.02457	8.8
119.03504	6.7
121.02946	4.6
128.67255	1.0
132.02165	3.8
134.03763	12.0
135.04520	4.2
137.83832	1.0
147.04581	2.1
149.02461	28.7
150.03120	1.7
160.01677	20.3
161.04597	2.0
163.04001	9.4
164.03487	1.9
164.04810	26.7
165.05531	3.5
173.02400	2.2
175.00464	2.2
175.04027	27.2
176.01118	3.5
177.05553	3.2
179.03508	2.4
179.07111	5.7
188.04750	2.6
189.52509	1.2
190.02711	13.3
191.03525	16.8
191.05403	1.8
192.04189	1.3
193.01416	1.9
193.05064	14.2
203.07199	2.5
204.04289	1.8
205.05081	12.2
206.05853	20.1
207.02946	7.3
207.06433	1.7
208.03807	7.2
208.07185	1.1
209.04489	1.8
221.08199	19.4
222.05251	2.3
222.08690	1.3
223.06128	36.1
224.06522	1.4
235.02620	2.6
235.06184	1.9
237.07657	7.1
250.04836	6.8
251.05566	2.0
265.07193	38.6
266.07590	2.4
267.07227	100.0
268.07620	4.0
281.06787	3.0
295.08243	5.9
311.07727	5.0
311.11087	1.4
325.09308	8.0
371.09717	1.5
383.07184	1.1
431.15555	2.8
473.12094	41.2
474.13333	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	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
65.37968	0.7
71.01401	1.2
71.02432	1.5
75.00878	4.6
85.02972	3.0
87.00892	1.3
89.02457	0.8
96.96016	9.1
97.02964	1.5
99.04543	1.4
108.02166	1.5
109.02968	24.8
110.03281	1.2
111.00890	2.3
111.04490	1.1
113.02431	1.2
116.75572	0.8
121.02970	1.3
123.08196	1.0
127.04025	1.7
133.02986	2.1
134.03737	2.2
135.04544	100.0
136.04889	2.7
137.02544	0.9
147.04536	0.7
148.05295	2.0
149.06100	33.4
151.07655	2.1
157.39229	0.7
159.04547	1.5
161.02499	4.2
161.06107	6.3
163.04034	0.8
163.07751	1.2
165.05585	1.0
171.04492	1.8
173.04636	1.6
173.06093	6.4
174.03224	1.2
175.04033	3.5
176.04752	1.3
177.05588	11.5
179.03542	11.1
185.06105	1.0
187.04033	1.2
188.04865	1.0
189.05615	11.8
190.06204	1.2
191.03714	1.1
191.05638	15.4
191.07213	4.3
193.05087	1.7
195.06647	2.6
201.05594	1.2
203.07202	2.7
205.08742	1.3
207.06635	11.8
213.05644	0.8
219.06712	4.7
221.04570	22.7
221.08018	0.9
222.05026	1.4
231.06656	13.0
232.06918	1.0
235.06142	17.9
236.06514	0.9
239.05641	13.0
249.07698	7.7
251.05501	0.8
253.07169	3.4
267.08722	0.8
271.08151	0.9
275.05737	1.5
281.06702	0.8
293.06726	1.3
297.09799	2.8
311.07785	12.1
311.11417	4.1
312.08298	0.9
353.08807	7.1
369.11899	2.1
375.07065	3.0
383.09930	3.8
393.11975	1.5
397.11456	2.2
401.10922	8.3
403.41284	0.7
411.12982	1.6
413.10828	3.7
415.12494	5.0
443.12106	5.4
455.12106	1.4
473.03973	2.8
473.12805	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
59.01388	60.0
61.98793	1.7
67.70300	1.4
69.03481	1.4
71.01004	2.3
71.01392	33.3
71.56602	1.5
72.99310	4.2
73.02966	14.4
75.00878	3.5
83.01395	10.7
85.02952	14.4
87.00399	2.1
87.00890	23.9
87.04529	1.3
89.02450	16.2
93.03452	1.7
95.01373	4.0
96.96002	1.6
99.00873	4.8
101.02457	25.1
105.01943	4.5
108.02219	1.9
109.02967	1.4
111.00928	1.7
113.02458	16.1
115.92042	1.9
116.92864	1.6
117.03468	5.1
118.92683	4.2
119.03513	6.1
119.05006	1.5
121.02944	4.9
125.02448	2.1
132.02179	16.6
133.02963	2.7
134.03755	38.6
135.04556	3.1
135.06595	2.0
138.58562	1.5
143.03506	2.2
147.04495	3.2
149.02446	17.6
149.06067	4.3
150.03152	1.4
152.99574	2.1
159.03014	1.4
160.01678	85.8
161.02164	3.1
161.04591	10.8
163.03993	3.9
164.04829	14.4
165.05595	3.2
171.86539	1.3
173.04565	3.2
175.00432	2.9
175.04018	100.0
176.01166	2.7
176.04451	5.2
177.01974	2.4
177.05388	1.7
178.02650	3.0
179.03557	2.5
179.05640	2.1
179.07146	4.2
181.05127	1.9
188.04858	1.6
190.02719	6.4
191.03474	7.5
191.05603	4.3
191.07167	3.2
193.05070	48.6
194.05711	1.9
201.11328	3.7
205.05122	7.9
206.05885	7.9
207.03011	3.4
208.03745	2.6
209.04335	1.4
209.11789	4.9
211.06134	6.6
221.08229	10.0
223.06097	18.2
224.06494	2.2
235.06073	5.3
237.07738	2.7
249.06088	1.5
250.04785	3.9
265.07184	22.5
267.07248	57.9
268.07614	3.0
269.10327	15.1
269.13196	2.0
277.03458	1.5
295.08240	4.1
297.08185	3.5
311.11395	3.6
325.09348	2.6
353.06659	2.1
369.14761	1.6
413.14713	3.6
431.15607	15.7
432.15939	2.1
473.17575	76.2
474.17755	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52127	1.1
59.01110	2.1
59.01389	32.7
60.99326	1.3
63.55691	1.1
69.72340	4.2
69.72752	2.6
71.01389	19.4
73.02950	6.2
83.01375	2.6
85.02968	5.2
87.00893	17.9
88.92608	1.0
88.98808	1.9
89.02451	10.6
93.03352	1.0
95.01402	2.0
98.19990	2.4
99.00897	2.0
99.58525	1.1
101.02456	15.3
105.01934	1.6
105.70205	1.1
113.02457	8.5
117.03476	1.9
119.03511	4.0
121.02962	2.4
132.02184	20.4
133.02954	2.5
134.03760	38.9
135.04524	1.2
135.06625	2.7
137.02419	2.4
143.03502	1.6
147.04594	1.5
149.02467	9.8
149.06068	4.4
160.01682	87.0
161.02130	3.5
161.04529	3.4
163.04005	3.0
163.15349	1.1
164.04799	9.6
173.04637	1.6
175.04016	100.0
176.01082	1.8
176.04446	5.7
177.05547	1.9
178.02704	1.2
179.05659	1.3
179.07178	2.9
190.02682	6.1
191.03554	6.2
191.07112	3.0
193.05070	52.1
194.05426	2.6
203.07225	1.7
205.04999	6.2
206.05835	7.8
207.02980	2.0
207.06546	1.6
208.03802	1.5
221.08255	7.7
223.06114	13.9
235.02449	1.5
235.06116	7.4
237.07626	3.2
250.04855	3.2
265.07199	18.9
267.07233	41.4
268.07562	1.9
269.10226	4.4
281.06589	1.8
290.87695	1.3
295.08276	4.5
325.09302	3.4
337.09439	1.9
431.15646	7.7
473.17242	77.3
474.17566	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79210	1.2
55.01885	1.1
57.03452	2.6
58.00594	1.3
59.01385	47.6
59.99592	1.2
61.31600	1.1
61.98830	1.4
71.01389	27.5
71.56470	1.8
73.02956	9.7
75.00867	1.5
83.01388	4.1
83.05052	1.6
84.95061	1.3
85.02957	13.6
87.00874	5.2
89.02444	11.7
91.01879	1.6
93.03429	3.1
95.01410	2.3
99.00885	3.6
101.02453	23.1
105.05579	3.4
109.75285	1.4
113.02466	11.0
119.01392	5.3
119.03495	4.1
121.02962	3.9
125.02496	2.3
132.02187	2.6
134.03745	6.2
135.04530	4.5
137.02451	1.5
143.03476	2.8
147.00861	5.1
147.04520	1.7
149.02454	13.5
150.03058	1.2
151.04059	1.5
152.01138	1.5
159.03003	1.8
160.01659	12.1
161.02341	1.7
161.04558	6.3
163.03992	3.6
164.04803	13.9
165.02103	1.4
173.04527	2.5
175.00369	28.8
175.04013	15.2
176.01080	1.7
179.07082	2.4
182.02159	2.2
188.32417	1.2
190.02736	81.4
191.03125	2.9
191.05652	3.2
193.05048	5.6
197.04520	4.8
205.05080	94.2
206.05397	4.8
207.02896	1.3
223.06151	27.1
224.06418	1.3
235.06038	2.0
243.86380	1.2
252.23578	1.3
265.07230	2.0
269.10342	4.0
289.75412	1.5
293.06750	2.3
401.04279	1.3
413.21509	1.7
431.15567	11.0
458.14383	2.6
473.16656	100.0
474.17117	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06482	1.4
57.03452	2.4
59.01385	68.2
60.01699	1.4
60.68297	1.4
61.98834	1.9
69.46970	5.5
69.47375	3.9
71.01007	2.0
71.01394	33.4
72.99319	2.3
73.02947	11.9
75.00872	2.7
81.05838	1.5
83.01393	9.9
84.02224	1.3
85.02966	14.3
87.00889	23.8
89.02463	15.7
93.03455	2.4
95.01391	2.9
99.00898	4.9
101.02457	30.7
105.01937	5.1
108.02181	1.6
111.00895	1.7
113.02463	17.9
116.92878	1.9
117.03534	2.8
118.92639	2.3
119.03478	3.8
121.02913	3.5
125.02470	4.5
132.02184	20.6
133.02954	1.7
134.03757	42.8
135.02968	1.6
135.04544	2.6
135.06650	2.4
137.02419	2.7
143.03525	3.2
147.04549	2.7
149.02452	16.8
149.06107	3.9
150.03235	1.6
152.01138	2.2
159.03050	2.5
160.01680	87.1
161.02287	4.2
161.04556	11.8
163.04019	4.1
164.04845	14.5
165.05502	2.8
173.04504	3.8
175.00305	3.5
175.04012	100.0
176.01125	1.9
176.04413	4.9
177.05516	2.3
178.02702	1.5
179.03494	2.8
179.07132	3.4
190.02718	9.2
191.03499	6.3
191.05553	3.6
191.07158	3.0
193.05061	51.2
194.05453	2.1
201.11343	2.4
203.79881	1.5
205.05051	8.4
206.05812	9.4
207.03036	3.9
208.03845	2.3
209.08109	2.2
209.11888	1.7
211.06100	2.1
221.08250	8.7
223.06114	16.2
235.06172	6.9
237.07671	4.0
250.04875	3.6
265.07202	23.0
267.07230	63.6
268.07446	1.9
269.10391	11.6
295.08276	3.8
297.07892	1.7
307.66064	1.5
311.08041	1.9
311.11368	5.6
337.09277	1.6
353.06650	2.9
358.18771	1.5
413.14377	1.7
431.15607	15.1
432.15811	1.7
452.48404	1.4
473.17508	74.2
474.17719	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	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28410	1.6
55.01867	1.8
55.02504	1.3
57.03448	2.6
57.22684	1.4
58.00587	2.3
59.01385	100.0
61.98841	7.6
62.02427	1.5
65.37840	1.3
66.03645	1.3
67.01908	1.6
69.03458	2.6
69.47635	9.2
69.48035	2.6
71.01010	2.4
71.01389	43.8
72.99300	2.2
73.02943	12.0
80.75526	1.2
81.03473	1.9
83.01382	5.3
83.76778	1.2
85.02948	14.0
87.00859	2.6
89.02460	33.4
93.03471	3.0
95.01367	2.8
97.02964	3.9
98.19901	2.3
98.66245	1.4
99.00912	2.2
101.02457	16.2
106.48914	1.5
111.00912	1.4
113.02470	14.9
119.03489	4.7
119.05037	42.8
120.05396	1.6
125.02486	11.4
126.07564	1.4
131.03545	6.6
135.04526	5.0
137.02472	1.8
143.03485	2.4
149.02455	2.7
149.04552	9.2
149.05995	1.6
150.96014	1.4
161.04631	7.3
161.05800	1.4
163.00380	1.6
164.04616	1.6
164.69937	1.4
165.03917	2.0
167.99100	1.9
173.04523	5.4
175.00354	5.3
179.03535	3.5
179.05627	2.9
182.02180	1.7
190.02756	9.6
191.05632	8.4
197.04607	2.9
200.93590	1.5
205.05042	9.0
216.76114	1.6
221.08553	1.5
223.06096	3.5
227.07210	1.7
233.06711	2.6
293.08813	25.2
298.04877	5.4
311.05560	1.9
383.07919	1.4
413.21933	2.6
473.10950	3.6
473.16748	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	473.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08257	0.7
59.01386	100.0
60.01709	1.6
61.98830	1.4
70.18360	2.8
77.17266	0.7
78.95914	0.9
85.02979	1.1
96.96031	1.2
98.20065	0.9
112.27081	0.8
134.04706	1.7
152.66814	0.7
160.84248	0.9
162.83939	1.7
291.72565	0.8
315.11197	1.0
353.28583	1.0
473.33527	7.9
474.33173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24512	0.4
56.86101	0.4
57.03454	0.6
59.01385	100.0
59.07075	0.4
60.01729	1.0
61.98847	1.0
62.92208	0.4
71.01385	4.9
72.99334	0.6
73.02959	3.1
74.99107	0.4
83.01408	1.1
85.02531	0.4
85.02947	2.6
87.00896	0.7
87.04544	0.4
89.02460	2.2
93.03484	1.2
95.01424	0.5
96.96059	0.7
98.20655	0.9
99.04539	0.4
101.02452	3.4
107.74764	0.4
111.04575	0.4
113.02499	1.6
119.03542	1.2
120.99684	0.5
131.03516	0.5
135.04568	1.5
143.03496	0.4
145.02998	0.4
149.04503	0.4
161.04594	1.3
161.29353	0.4
173.04587	1.5
179.03554	0.4
179.05635	0.5
190.63153	0.4
191.05658	1.2
229.40294	0.4
251.16634	0.5
393.78607	0.4
400.85364	0.5
413.22128	1.6
431.23114	0.6
434.64923	0.5
473.23074	0.7
474.24274	0.6
485.93985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.7
59.01387	48.0
61.98852	6.9
67.29534	2.5
70.58006	7.5
71.01395	19.8
71.05020	3.8
72.99324	3.3
78.95918	9.4
80.50804	2.5
85.02972	6.7
89.02451	26.6
91.43345	2.5
96.96047	7.9
101.02457	3.8
102.57668	3.0
103.58771	2.6
113.02457	8.6
119.03574	3.2
147.50333	3.2
149.49800	2.7
162.83926	3.6
166.99867	2.9
171.10333	5.4
179.05626	5.7
242.37146	3.0
266.11075	3.2
275.20154	11.1
277.21790	4.1
293.21252	9.2
367.29739	3.5
391.17963	22.8
400.09808	3.0
427.32315	4.2
429.29727	4.8
445.33353	7.7
473.32785	100.0
474.26440	7.3
474.33200	13.7
490.92532	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	473.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52316	2.9
56.25599	2.9
59.01385	31.1
60.97004	3.2
71.01397	17.2
71.55334	4.1
75.00883	3.2
78.95915	7.4
85.02943	3.4
89.02457	21.5
95.05030	11.0
96.96021	8.1
100.30440	3.4
101.02419	6.8
106.76530	3.3
113.02419	4.4
143.03450	3.9
162.83891	3.8
179.05605	5.0
184.16454	3.0
186.41475	3.1
190.67316	3.5
277.38925	4.1
293.21249	28.1
294.21365	4.5
338.46954	3.1
354.09995	30.5
391.17908	6.5
411.33084	3.7
429.29474	5.2
431.67191	3.6
434.96677	3.2
445.33374	5.8
455.31897	3.8
473.33023	100.0
474.33054	4.4
486.17554	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	473.3278
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.41960	0.4
57.03460	0.6
58.76858	0.4
59.01379	0.9
60.99294	0.4
61.98822	0.5
62.22203	0.4
65.17734	0.4
65.33723	0.3
69.27457	3.5
74.79306	0.3
80.13682	0.4
87.05022	0.4
88.26274	0.4
95.83894	0.4
98.20729	0.5
102.65287	0.3
103.22462	0.4
123.08160	1.3
134.04761	0.5
219.17825	0.5
356.91995	0.4
379.26474	4.7
380.26718	1.0
395.29605	23.4
396.29858	3.5
409.34598	0.5
411.32727	30.9
412.33008	4.1
429.33868	8.2
430.34134	1.0
443.35471	3.9
455.31586	3.7
456.32089	0.6
473.32562	100.0
474.32950	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	473.3276
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.81853	0.5
55.34972	0.6
59.01367	1.6
60.03367	0.6
69.03463	6.7
70.29260	0.6
71.04993	0.6
80.02666	0.9
81.03467	1.5
91.31659	0.6
107.05036	5.5
109.06602	77.2
110.06923	2.4
133.06702	0.6
305.24966	3.0
305.76108	0.6
317.28320	2.2
333.19321	0.7
341.28726	0.9
355.29922	1.9
357.31659	36.5
358.31879	3.8
359.29648	0.9
383.33051	1.8
385.30206	1.1
385.34766	14.9
386.34970	1.8
411.27536	0.7
411.32730	12.2
412.32764	1.0
429.33743	56.0
430.34167	5.5
473.32507	100.0
474.32898	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	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01363	2.1
60.99306	3.5
69.03461	2.7
69.49370	7.8
69.60244	0.9
71.01434	1.3
83.05032	26.4
87.04519	18.9
125.06099	15.1
126.47288	1.2
127.08150	1.1
127.74866	1.1
140.00667	1.0
149.09711	1.3
153.67673	1.0
156.57219	1.3
169.23361	1.1
173.10872	1.0
205.15970	7.6
206.54213	1.2
213.64951	1.1
257.26758	1.0
265.37677	1.2
357.31671	5.5
367.29910	2.2
383.33243	15.3
384.33173	1.3
399.32462	1.3
411.32736	1.4
413.13007	1.0
429.33649	21.8
430.33984	2.8
454.91351	1.2
457.24960	3.9
458.25656	1.4
473.27814	22.1
473.32751	100.0
474.27197	1.9
474.33380	13.2
482.52545	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	473.3641
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
50.88703	1.2
58.96460	1.1
59.01372	2.6
83.05038	15.7
85.06603	34.1
87.04520	2.2
93.24404	1.0
115.67153	1.2
147.55049	1.1
150.15607	1.1
160.92848	1.3
176.46370	1.1
177.77113	1.0
207.77480	1.5
297.22342	1.9
305.25000	3.9
305.82486	1.3
313.25394	5.7
325.25418	2.2
329.28552	4.3
341.28473	5.4
357.31903	2.1
359.29544	1.4
359.33478	2.3
371.29596	2.1
373.27457	1.4
411.32718	7.3
427.35822	26.0
428.36035	2.8
429.33322	1.8
455.35364	55.9
456.35580	7.9
473.36563	100.0
474.36826	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	473.3641
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
51.19615	0.3
59.01374	1.0
60.99317	2.2
62.96748	0.3
64.29001	0.3
67.68700	0.3
70.38531	0.7
70.38860	0.4
85.06605	3.7
87.04522	1.2
111.00937	0.3
151.08524	0.3
197.42249	0.3
198.45044	0.4
205.16051	0.3
220.10645	0.3
305.24982	2.2
313.25385	1.0
329.28394	1.2
331.14117	0.4
337.48022	0.3
341.28488	0.8
357.31607	2.9
369.31622	0.8
373.34766	21.4
374.35159	2.3
381.27911	0.4
385.34622	1.5
391.28784	0.4
399.32712	7.7
400.32919	0.7
407.36884	0.4
409.34796	9.9
409.40231	0.5
410.35083	0.9
411.36551	0.5
417.33771	39.8
418.34177	4.9
429.33737	13.0
430.34366	1.5
455.35422	0.5
473.36432	100.0
474.36789	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	473.3639
Annotation	Machaeroceric acid
Peak:m/z	Relative Intensity
51.90494	0.2
55.01887	0.2
61.98845	0.3
69.47916	1.5
71.05059	0.5
73.02978	0.2
85.03001	0.2
109.06615	1.6
111.08194	0.4
121.06721	0.2
123.08188	1.5
134.07390	1.1
152.14206	0.2
189.12859	0.2
205.15991	2.7
379.30170	0.3
393.31668	0.9
394.31720	0.2
395.33081	1.2
409.34793	12.9
410.35114	1.2
411.36346	32.2
412.36719	3.6
423.32782	0.4
429.37408	18.0
430.37772	2.0
443.35300	0.7
455.35361	1.5
457.25287	1.4
473.28528	10.0
473.36353	100.0
474.28955	1.5
474.36685	12.6
478.82907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	CHEMBL1651033
Peak:m/z	Relative Intensity
53.51594	0.7
59.01380	2.3
61.98838	0.8
62.10710	0.7
67.99364	0.8
68.58316	0.8
70.95992	1.1
70.96337	1.2
103.70221	0.8
134.04759	0.9
189.12897	0.9
191.14500	2.8
205.16115	3.3
207.17572	8.5
243.35162	0.8
263.56580	0.9
265.18118	14.6
266.18515	1.3
267.19626	3.8
305.25061	2.8
331.35516	1.0
409.35059	1.0
429.37601	14.7
430.37991	2.4
455.32132	1.2
473.36639	100.0
474.36981	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	474.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06931	0.7
57.03460	1.0
59.01386	27.9
60.01746	1.4
61.98837	100.0
65.81898	0.7
71.01392	6.2
73.02948	1.7
74.02489	0.9
79.95746	0.7
83.01396	0.9
83.04993	0.8
85.02959	3.3
87.00907	1.1
89.02467	3.3
89.54636	0.7
93.03497	1.0
96.96022	1.3
99.00916	3.0
100.58192	0.8
101.02433	3.6
109.02996	1.2
113.02470	2.5
114.03975	0.8
116.92886	0.8
119.03552	1.5
119.30753	0.7
120.99686	2.2
124.65530	0.8
135.04617	1.0
143.04642	1.7
146.04596	0.7
148.05321	23.1
149.05658	1.2
158.36885	0.8
161.04626	2.9
163.07660	31.2
164.08052	1.9
173.04623	1.6
191.05658	2.0
271.09811	2.7
399.89645	0.8
415.23318	1.8
433.24161	0.7
460.60712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
71.01408	0.4
71.56913	0.4
78.95916	9.6
83.05092	0.2
96.96951	0.2
122.00155	0.3
127.07636	0.4
140.01201	2.3
150.84396	0.2
152.99590	1.3
161.87474	0.2
162.83946	1.0
171.00691	0.5
196.03822	1.7
214.04884	3.6
233.22755	0.4
242.35167	0.2
259.20789	0.3
275.20200	0.2
277.21741	100.0
278.22098	8.7
361.82892	0.2
436.08859	0.3
438.08554	0.2
457.26624	0.3
474.26270	9.3
475.26093	1.0
497.66183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.4
71.01388	0.5
73.34254	0.5
74.36556	0.5
78.95914	55.2
96.96983	1.8
98.19895	1.5
122.00145	0.8
140.01198	7.7
149.47394	0.5
152.99586	6.8
171.00658	6.1
196.03825	11.6
196.05579	1.0
214.04893	3.4
223.90446	0.7
277.21741	100.0
278.22058	8.0
282.51538	0.6
314.83679	0.6
400.22427	0.7
474.26279	42.0
475.26218	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	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08511	0.2
59.01372	0.4
61.15187	0.3
62.96412	0.3
70.96474	0.4
74.40753	0.2
78.95913	100.0
96.96973	8.3
98.99887	0.2
140.01186	0.7
150.98051	0.4
152.99605	16.1
153.99954	0.4
171.00653	18.8
220.31476	0.4
277.21780	2.7
290.93134	0.3
400.22556	1.7
474.26300	58.4
475.26544	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95309	0.7
57.03447	2.1
59.01383	26.6
61.98830	3.3
63.95188	0.7
66.49316	0.7
68.99805	0.9
69.03477	0.8
69.17771	0.7
71.01389	16.2
71.58054	1.3
72.99317	3.4
73.02962	1.8
75.00878	16.4
79.84909	0.7
83.01428	0.8
83.20098	1.0
85.02959	20.5
86.03253	0.8
87.00880	5.6
89.02464	5.0
93.03498	1.8
95.01400	4.9
99.00887	11.6
101.02468	1.8
103.00415	1.9
111.00919	1.3
113.02463	29.1
115.00404	1.8
117.01952	2.5
118.00041	0.9
118.98078	1.6
121.02970	100.0
122.03304	3.5
125.02460	0.9
129.01968	2.5
135.04546	1.3
137.02502	1.4
157.01392	1.0
173.04440	0.8
175.02524	4.1
175.03905	1.3
190.31825	0.7
225.09285	0.9
227.07071	1.1
231.05191	2.0
300.99933	1.0
331.55325	1.0
353.08862	10.6
354.09003	1.4
363.60370	0.9
383.15060	0.8
452.07968	0.9
475.12515	34.8
475.29517	5.4
476.13019	4.1
476.18991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.125
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
57.03457	0.4
57.45112	0.3
59.01387	22.1
61.98832	0.4
63.02396	1.9
65.00333	6.7
66.72565	0.3
69.03474	0.3
69.20155	2.6
69.20555	0.6
71.01392	5.2
72.99316	0.5
73.02953	2.1
74.99083	0.3
81.03446	0.5
83.01399	5.0
85.02981	1.9
87.00896	0.5
89.02452	3.9
91.62599	0.3
93.03474	9.0
95.01402	0.5
98.20747	0.3
99.04527	0.4
101.02459	4.1
107.01404	12.4
108.02218	0.6
108.99318	0.4
109.02962	0.6
113.02472	2.7
119.03560	2.0
119.05043	35.5
120.05385	0.7
120.99680	0.4
121.02969	0.7
125.02445	1.2
135.04539	0.4
136.01688	0.5
136.50955	0.3
137.02417	0.8
143.03587	0.5
143.04993	0.3
145.02966	0.8
149.02385	0.4
151.00392	37.9
152.00763	1.5
155.45874	0.3
160.01599	0.4
161.04555	0.8
164.01178	0.7
165.01924	1.9
167.00888	0.3
169.01408	1.1
173.04553	0.8
175.00381	1.1
177.01973	5.8
179.05635	1.0
187.04039	0.9
191.05612	1.2
193.01411	0.8
209.11848	0.6
225.11285	0.4
227.07091	0.7
227.48463	0.3
240.32674	0.4
253.04916	0.4
255.02884	0.3
271.06146	100.0
272.06464	7.3
292.27679	0.3
295.05981	0.4
313.03894	0.4
313.07220	2.1
415.23596	2.0
424.11694	0.3
475.22363	0.6
475.29364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93983	6.9
52.29137	5.9
59.01390	5.6
71.01382	18.2
72.65466	6.0
72.99314	15.5
83.90778	5.9
89.02449	6.4
91.23781	6.3
115.00389	38.0
131.04633	6.0
132.03073	8.4
132.94594	8.0
133.01440	100.0
186.76788	5.9
187.33009	6.6
341.10605	8.8
348.28168	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	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86980	1.1
59.01159	1.1
59.01380	12.8
59.39562	1.3
60.01744	1.2
60.99317	11.8
67.82755	1.2
69.33250	11.8
71.01368	5.1
77.03967	1.3
77.11668	1.2
79.01890	1.5
85.02940	3.9
87.00848	3.5
87.67521	1.4
88.00417	1.4
88.98819	100.0
89.02001	1.5
89.02460	13.8
93.03471	2.9
109.02946	4.7
117.03450	5.2
117.05571	1.7
117.83407	1.5
119.05045	1.5
121.02957	3.2
132.09856	1.3
135.04532	3.7
137.02357	1.9
146.03719	1.8
147.04552	7.1
159.04518	4.5
161.02415	3.9
165.05565	1.7
166.02715	1.6
183.04558	1.6
191.05606	1.8
195.08087	1.6
239.07236	2.0
258.60367	1.4
269.04858	2.0
269.08078	8.3
281.04575	6.0
282.05173	1.9
283.06146	50.8
284.06570	2.4
293.04391	1.9
295.06122	3.8
308.03384	1.4
311.05627	59.2
312.05942	4.3
313.06982	5.0
314.04425	2.0
323.05545	8.5
341.06668	17.9
431.09833	14.5
475.08719	44.5
475.14322	3.7
476.09189	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	475.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70407	2.5
55.74349	2.5
57.03446	7.2
59.01381	24.1
61.98833	4.0
69.03448	3.2
70.06031	11.2
71.01379	5.9
77.64902	2.6
78.46335	2.9
78.95914	24.2
81.03471	6.9
83.01381	7.3
83.05011	6.4
85.02932	3.6
89.31734	2.8
90.54546	2.8
96.95983	7.0
97.02974	4.1
97.06582	11.6
109.06602	3.0
110.98538	27.0
112.16859	2.6
121.06576	5.5
123.04486	5.9
123.08134	5.1
125.06047	3.2
125.09744	16.3
135.08180	4.4
137.09691	11.1
148.86815	2.7
163.11324	18.6
165.12828	5.0
167.01123	6.6
170.96872	2.7
181.12344	5.5
185.02196	19.3
185.11813	10.3
191.10736	3.5
191.14435	18.4
207.10295	11.6
209.11845	76.1
225.11414	6.0
245.19083	39.2
263.20273	2.8
271.17215	4.1
289.18124	100.0
290.18359	9.6
307.19162	67.0
308.19437	6.8
377.56302	3.4
433.28012	6.9
475.20956	46.5
475.28833	18.8
476.27496	2.9
483.02029	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25492	6.2
54.80784	5.7
57.03468	8.4
59.01383	70.0
61.98842	19.0
78.95930	10.0
81.19793	6.8
95.05080	7.2
96.95984	9.3
98.20758	10.7
111.00846	7.8
123.00877	8.2
124.44154	7.2
124.55762	5.7
125.09756	17.0
131.50310	6.1
139.00371	7.8
139.11287	19.0
141.01756	20.9
145.02928	7.9
149.02521	11.3
153.01955	27.9
159.08252	7.0
161.02470	11.5
162.71524	6.9
162.83974	21.5
164.83620	18.2
169.01393	6.7
171.10303	21.9
174.86510	7.8
175.04045	10.0
177.01923	13.1
185.02393	7.2
190.02747	7.2
193.08479	22.7
199.09854	32.2
201.05684	6.9
203.03426	7.3
213.05502	9.0
213.09299	10.3
213.11230	11.2
215.07162	10.5
215.13152	10.1
217.08745	9.1
219.06708	11.6
219.53786	6.9
228.07904	15.0
229.08717	17.3
230.05859	19.8
232.07402	9.5
241.08580	6.6
245.02742	13.6
245.08180	77.5
246.08948	12.5
246.11458	6.6
247.09686	9.3
257.08154	8.8
260.10629	31.3
261.11331	10.6
275.12833	31.8
293.21170	9.4
307.19244	10.2
311.22192	16.0
385.27420	11.8
391.14218	9.2
393.17050	7.3
393.21780	35.2
406.16440	18.3
411.17993	9.6
425.19772	25.4
428.18301	9.6
437.60959	6.5
438.08588	7.3
439.09113	10.2
443.20853	35.4
460.21054	21.0
475.23456	100.0
475.30493	41.9
476.23798	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	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	12.5
63.91396	4.8
69.26690	48.8
71.01392	24.4
92.84075	5.0
277.21762	100.0
312.34155	5.8
319.22754	12.6
319.28397	5.6
475.34482	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	475.3066
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
57.96667	0.5
59.01386	3.0
61.98842	0.7
62.65150	0.6
68.77940	0.5
71.01354	0.7
78.95896	1.4
87.04492	1.5
89.02457	0.7
127.07747	0.6
167.71091	0.6
175.50938	0.6
181.04060	0.6
181.07141	1.7
253.90794	0.6
277.21841	0.9
293.21198	1.0
381.24640	1.3
397.27493	27.4
398.27820	2.6
413.30585	25.6
414.30948	2.5
431.31662	9.7
432.32037	1.0
457.29742	3.8
475.30640	100.0
476.30927	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	476.2785
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.55494	0.2
59.01383	0.4
70.56368	0.6
78.05153	0.2
78.95911	5.9
102.16273	0.2
110.73383	0.2
122.00113	0.2
131.04636	0.2
140.01198	1.7
152.99606	0.6
167.13213	0.2
196.03825	1.1
214.04890	3.0
261.22192	0.7
273.44949	0.2
279.23306	100.0
280.23645	8.3
371.94788	0.2
459.35345	0.2
476.27832	8.1
476.34042	0.4
477.28018	0.9
486.68146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.31645	0.4
68.48183	0.4
69.90382	0.7
69.90688	2.1
72.04122	0.4
78.95915	40.6
88.36061	0.4
96.96964	1.8
122.00156	0.8
140.01215	6.2
152.99608	5.4
171.00691	4.5
196.03824	11.1
214.04858	2.1
229.67188	0.4
279.23309	100.0
280.23672	8.2
475.23605	0.5
476.27853	36.3
477.28192	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	476.2785
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.39461	0.2
78.95911	100.0
96.96972	7.6
98.19827	0.5
140.01196	0.6
152.99609	15.6
168.00299	0.3
171.00664	18.7
214.04913	0.3
219.86763	0.3
224.66626	0.3
229.79547	0.3
289.22397	0.3
312.24634	0.3
402.24194	2.0
406.23404	0.3
469.06503	0.3
476.27856	55.1
477.28165	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	477.068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39170	0.6
52.15655	0.6
55.01869	1.2
56.65078	0.5
57.03439	0.8
58.00586	1.4
59.01386	37.1
61.98827	0.8
63.02404	1.6
65.00327	0.6
69.03462	4.0
71.01388	40.8
71.55701	0.6
71.56071	0.6
72.99313	3.9
73.02963	6.4
75.00897	2.8
81.03456	2.3
81.05078	0.7
83.01385	2.8
85.02964	6.7
87.00895	2.0
88.98823	4.4
89.02453	46.3
90.02850	0.7
93.03452	1.9
95.01389	2.5
96.96041	2.9
96.96964	1.6
97.02955	6.1
97.76544	0.7
99.00888	7.2
99.04557	1.0
101.02440	9.0
101.43021	0.5
107.01390	0.8
108.02179	1.1
109.02969	1.7
110.00079	0.9
111.00914	1.1
113.02465	6.2
115.04014	3.2
119.03498	1.6
120.99652	0.7
121.02927	3.0
125.02461	23.3
129.02000	0.6
131.03514	6.5
133.02966	1.6
135.04510	1.0
137.02466	4.3
137.99670	0.8
138.01961	3.1
139.00381	0.5
143.03508	1.8
149.04550	6.0
151.00369	1.2
151.04019	1.2
152.01219	0.6
153.01945	19.1
153.05583	2.3
155.03668	0.7
155.05045	1.4
157.03015	0.9
161.02490	2.9
161.04568	1.3
161.06073	0.8
168.04311	13.7
171.04507	1.1
173.02425	1.0
173.04553	2.2
175.00294	0.7
175.03978	1.6
183.04689	0.8
183.06654	2.6
185.02420	0.8
190.02652	0.9
191.05609	5.3
193.04959	0.7
197.04552	5.5
198.03215	2.3
199.04027	3.6
201.01901	2.4
203.03516	0.6
205.05067	0.8
215.03555	1.4
226.02686	2.5
227.03458	3.1
233.06676	17.8
242.02127	1.0
243.02986	14.4
244.03465	0.7
253.01512	0.8
267.10287	2.7
271.02493	100.0
272.02850	7.0
284.03278	5.8
285.03781	1.7
293.08841	14.3
309.04083	0.7
313.03522	5.1
365.46762	0.6
469.35928	0.7
477.16046	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	477.104
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
50.91430	0.4
55.01876	0.8
57.03456	0.7
59.01387	9.8
61.87424	0.5
61.98840	2.4
63.73124	0.4
69.03454	1.0
69.49770	2.3
69.50182	1.1
71.01391	7.2
71.05034	0.7
72.99322	1.1
73.02961	2.0
74.07500	0.5
78.08492	0.4
81.03474	0.5
83.01382	1.5
85.02955	3.6
87.00885	1.4
88.98806	3.2
89.02459	4.2
90.98585	0.7
93.03468	1.3
95.01395	1.4
96.96008	1.1
97.02976	0.5
98.19923	1.0
99.00890	1.6
101.02452	3.3
107.01382	0.8
107.05045	0.6
108.02190	43.8
109.02978	21.5
111.00907	0.5
113.02456	2.6
117.03431	0.6
117.05595	0.6
119.03526	0.8
120.99647	0.9
121.02948	1.3
123.00909	1.2
123.04519	1.4
125.02467	1.3
132.02223	0.9
133.02982	22.4
133.82333	0.6
134.03810	2.6
134.04626	0.5
135.00890	1.1
135.04546	49.5
136.04849	1.8
137.02440	0.9
149.06030	0.5
151.04018	2.3
152.01172	61.6
153.01965	23.4
161.02467	58.2
162.02815	2.2
163.04002	2.2
165.01953	1.7
167.03499	1.8
169.12338	1.9
173.04596	1.0
175.03964	0.8
177.05545	0.9
178.06392	0.6
179.03522	16.7
179.10733	0.8
181.05043	0.7
187.00400	0.9
191.03482	0.6
191.05646	1.1
195.06671	0.9
197.11859	20.1
198.12102	0.7
211.13542	0.6
215.98192	0.6
221.04605	1.0
223.09689	0.9
253.05045	0.5
253.09225	1.6
271.09769	1.0
315.07248	41.5
316.07578	2.6
323.07794	2.9
383.09717	1.4
413.14725	0.6
433.11447	4.7
441.14001	6.2
442.13971	0.7
459.19739	0.8
477.10364	100.0
477.19708	20.3
478.10803	11.0
478.20062	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	477.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	54.7
63.71826	3.1
64.49072	3.2
71.01388	55.8
71.56515	3.0
72.99281	4.2
73.02957	10.8
75.00916	4.3
82.35175	3.0
83.01395	5.4
85.02945	21.4
87.00890	6.9
89.02455	33.0
97.17394	2.7
99.00875	5.7
101.02446	43.4
108.02197	9.0
109.02979	50.1
113.02450	21.7
118.98097	7.3
119.03500	10.6
120.99649	5.0
121.03051	3.3
135.04555	8.0
142.06630	4.3
143.03476	7.6
149.02426	4.2
161.04593	18.4
163.04007	50.7
175.00391	4.9
178.06371	52.9
179.05621	14.4
183.14131	3.4
190.02686	15.7
193.08711	70.0
194.09068	4.7
205.05035	16.0
221.06604	6.7
223.06181	3.3
255.11389	4.1
273.11356	3.8
315.18307	4.3
367.10358	21.9
368.10205	3.4
417.24997	11.0
477.13736	4.2
477.22424	6.5
477.30988	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	477.1404
Annotation	Nyasicoside
Peak:m/z	Relative Intensity
53.64085	0.8
57.03458	1.4
59.01384	20.5
61.98839	4.4
69.03452	1.6
71.01386	11.5
73.02944	3.4
74.02479	1.4
78.91998	0.8
81.03449	1.2
83.01385	2.1
85.02950	6.8
87.00860	1.7
89.02461	2.7
91.01957	1.1
93.03458	5.6
95.01404	3.1
96.96040	1.2
97.02927	1.0
99.00883	2.4
101.02452	6.7
101.42215	1.0
108.02180	26.7
109.02973	23.4
113.02446	6.0
117.03486	1.9
119.01372	7.4
119.03531	1.8
119.05061	2.3
120.99670	1.3
121.02950	4.1
123.00932	4.5
123.04527	1.9
124.01658	6.3
125.02477	13.0
132.02200	1.3
133.03000	1.2
134.03761	3.2
135.04539	3.5
137.02460	8.4
139.03999	5.0
145.02997	6.1
147.00899	4.5
148.01672	1.3
149.02444	12.8
149.99626	9.5
150.03236	2.5
151.00359	1.1
151.04013	2.4
152.01172	3.8
153.02014	1.1
160.01688	2.6
161.02473	3.0
161.04561	2.7
163.04054	4.6
164.04819	10.5
165.01881	2.4
165.05521	1.9
167.03485	1.4
168.00668	17.1
169.01379	2.0
173.04547	1.8
175.00378	35.8
175.03926	5.1
176.01149	14.2
177.01976	1.2
179.03529	1.5
179.07100	1.7
187.55733	1.0
189.01930	1.5
190.02730	99.6
191.03490	21.1
193.04993	1.8
195.06636	2.9
205.05069	100.0
206.05394	5.0
208.03848	2.4
209.04547	3.9
223.06107	12.2
243.03001	1.4
261.03995	2.5
281.06662	6.2
307.08337	0.9
313.05692	1.6
331.06738	5.9
337.09167	3.3
353.08737	5.4
367.10327	24.4
367.14661	1.8
368.10507	1.8
462.11737	3.7
477.14722	85.5
478.15167	7.2
500.32062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.29613	0.9
57.03457	1.1
58.00609	2.1
59.01386	83.3
67.01837	1.1
69.03456	8.8
69.39619	4.0
69.40051	3.2
70.11855	1.0
71.01391	88.3
72.01711	1.0
72.99315	2.1
73.02953	12.4
75.00877	3.1
79.01904	1.4
81.03454	5.1
83.01396	6.1
84.02180	1.2
85.02960	9.5
87.00876	2.7
87.42810	0.9
88.98829	8.8
89.02454	100.0
95.01408	3.2
96.96029	7.2
96.96977	1.3
97.02972	13.7
99.00891	20.5
99.04532	3.2
101.02457	17.9
105.92563	1.1
107.01422	1.0
108.02134	2.0
109.02971	1.7
110.00136	1.8
111.00881	2.7
113.02459	10.5
115.04025	6.7
119.03473	2.1
121.02978	5.0
125.02460	53.0
126.02775	1.7
127.04000	2.0
131.03531	11.0
135.04527	1.0
137.02469	2.2
137.99635	2.2
138.01970	3.1
138.03085	1.0
143.03528	2.6
149.04578	14.3
152.01158	1.0
153.01956	45.4
153.05566	4.0
154.02348	1.5
161.04584	3.1
167.03563	1.0
168.04312	27.8
169.04700	1.7
173.04550	2.2
183.06578	4.5
191.05580	9.0
197.04579	11.1
233.06680	41.9
234.07002	1.2
239.05586	2.7
267.10205	2.7
293.08801	35.1
294.09109	2.5
297.04102	1.3
401.95923	1.0
477.16208	9.4
478.16483	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	477.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01386	99.6
61.98826	9.4
63.83139	1.9
71.01401	16.5
71.56487	2.2
73.02959	7.4
74.02480	22.4
75.00873	1.9
81.03474	3.4
83.01419	4.1
85.02950	9.7
87.00883	4.6
89.02467	8.6
93.03482	3.6
96.96008	3.0
99.00883	2.2
99.04531	83.7
99.05180	4.1
100.04861	2.4
101.02455	26.3
108.02221	2.5
109.02940	5.4
109.06625	1.9
111.00934	2.1
113.02477	7.8
115.00403	3.8
117.05594	3.8
118.98093	2.8
119.03531	3.4
120.99639	1.9
122.03793	1.7
125.02464	36.0
135.04549	44.4
136.04872	2.2
137.02512	3.1
142.09125	1.7
145.03009	2.9
149.06134	3.3
150.03232	1.7
151.00369	3.9
151.04076	2.8
153.09230	3.5
158.83644	1.7
161.02457	2.1
161.04517	2.4
167.03383	1.7
169.01500	1.9
173.04588	4.3
175.02466	4.8
179.03493	14.2
185.13017	1.6
190.02776	2.2
191.05563	3.4
195.06650	2.0
197.11841	26.3
205.05142	2.3
257.04489	2.5
258.05295	2.1
271.02420	2.7
271.09808	3.2
272.07111	2.0
299.01920	3.0
300.02805	4.1
303.21582	4.8
315.05014	5.1
350.30209	2.4
359.16733	1.8
387.14554	2.8
407.08133	1.7
417.20972	2.9
441.14166	7.3
477.09637	15.0
477.19293	27.1
478.20346	2.5
478.26611	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	477.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88002	0.9
53.72448	1.0
55.34864	0.9
57.03457	11.8
59.01385	27.2
61.98826	2.7
62.20665	0.8
69.03455	3.5
71.01393	11.8
71.05045	2.2
71.56798	0.9
72.81560	0.9
72.99303	0.9
73.02947	2.7
74.02486	9.4
75.27135	0.8
83.01396	1.9
85.02960	4.8
87.00896	2.0
88.09870	1.0
89.02456	8.9
93.03483	2.3
95.01373	1.2
99.00913	0.9
99.04512	6.6
101.02458	10.7
108.02185	1.6
109.02922	1.8
113.02462	5.4
118.98120	1.1
119.03504	1.8
123.08126	1.0
125.02436	3.5
125.09717	1.8
131.03516	0.9
135.04564	1.6
137.02438	1.4
140.66768	1.0
143.03563	1.3
151.11247	2.1
153.12860	2.8
154.91084	0.9
161.04564	3.0
161.09723	1.8
165.05542	0.9
173.04575	2.2
179.03455	1.3
179.10768	7.0
191.05618	1.8
195.06482	1.1
197.11852	86.9
198.12140	4.0
212.69478	1.1
223.09698	2.2
233.04596	0.9
241.10870	7.3
244.90414	0.8
253.09383	6.9
271.02524	5.4
299.02017	5.3
300.02621	3.9
303.22052	2.0
314.04102	1.0
315.04987	6.2
378.12253	0.9
421.47098	0.9
477.09930	7.5
477.19760	100.0
478.20087	8.9
478.26630	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	477.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88002	0.9
53.72448	1.0
55.34864	0.9
57.03457	11.8
59.01385	27.2
61.98826	2.7
62.20665	0.8
69.03455	3.5
71.01393	11.8
71.05045	2.2
71.56798	0.9
72.81560	0.9
72.99303	0.9
73.02947	2.7
74.02486	9.4
75.27135	0.8
83.01396	1.9
85.02960	4.8
87.00896	2.0
88.09870	1.0
89.02456	8.9
93.03483	2.3
95.01373	1.2
99.00913	0.9
99.04512	6.6
101.02458	10.7
108.02185	1.6
109.02922	1.8
113.02462	5.4
118.98120	1.1
119.03504	1.8
123.08126	1.0
125.02436	3.5
125.09717	1.8
131.03516	0.9
135.04564	1.6
137.02438	1.4
140.66768	1.0
143.03563	1.3
151.11247	2.1
153.12860	2.8
154.91084	0.9
161.04564	3.0
161.09723	1.8
165.05542	0.9
173.04575	2.2
179.03455	1.3
179.10768	7.0
191.05618	1.8
195.06482	1.1
197.11852	86.9
198.12140	4.0
212.69478	1.1
223.09698	2.2
233.04596	0.9
241.10870	7.3
244.90414	0.8
253.09383	6.9
271.02524	5.4
299.02017	5.3
300.02621	3.9
303.22052	2.0
314.04102	1.0
315.04987	6.2
378.12253	0.9
421.47098	0.9
477.09930	7.5
477.19760	100.0
478.20087	8.9
478.26630	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	477.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.1
60.02056	0.8
60.99310	15.9
70.88604	2.0
71.01389	3.8
72.99318	2.4
74.02493	1.2
85.02959	2.1
87.00881	1.6
88.98817	100.0
89.02449	13.0
93.03461	1.2
95.01374	1.4
96.95996	1.2
101.02435	2.7
106.09760	0.9
113.02454	2.3
119.03487	1.1
132.04552	3.9
134.06134	2.1
134.78961	0.9
136.01735	1.1
137.02448	1.5
144.68806	1.0
150.03256	1.2
150.05617	2.7
151.03963	1.2
157.98190	1.0
161.04543	1.1
173.04543	1.5
181.04980	0.9
191.05717	1.1
195.06696	1.2
213.73660	0.9
297.12399	2.5
459.17676	3.3
477.09167	1.8
477.19385	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	477.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.8
59.01385	23.2
61.98823	5.5
71.01411	4.0
71.48226	6.3
78.95912	26.1
83.01400	10.7
83.05025	8.7
85.06144	3.6
96.96024	14.9
97.06593	7.3
110.98558	17.7
111.08119	3.3
123.04532	4.0
123.08155	6.1
125.09731	17.2
139.11272	7.3
151.11267	6.6
152.99539	4.7
163.11298	10.7
165.12860	24.1
167.01094	7.3
167.10738	4.6
181.12482	4.7
185.02248	23.0
191.10709	6.9
193.15909	5.7
209.11853	100.0
210.12349	4.9
223.13351	4.8
247.09618	5.6
247.20691	14.8
291.19681	89.8
292.20145	6.9
309.20755	87.5
429.29599	5.4
445.22174	8.4
458.13312	4.0
477.22540	39.8
477.28006	7.7
477.32083	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	477.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.3
57.03458	5.1
58.00597	2.1
59.01385	93.4
61.98820	8.9
70.75783	3.3
71.01388	100.0
72.99306	7.7
73.02956	23.4
73.18420	1.9
75.00894	2.1
81.52953	1.7
83.01396	15.2
85.02962	46.4
87.00880	9.6
89.02452	53.2
91.80159	1.9
93.03462	1.9
95.01401	11.9
96.96048	2.8
97.37356	1.7
99.00872	6.1
101.02450	82.9
107.71171	1.8
113.02461	98.0
114.02760	2.4
118.98099	2.7
119.03518	19.7
125.02477	4.0
129.01959	2.7
131.03523	3.5
135.04578	2.8
137.02457	3.1
143.03528	9.2
145.02930	3.6
152.01154	3.0
152.99535	2.9
159.03008	2.9
161.04564	37.5
173.04630	3.2
179.05667	14.8
226.68852	1.9
257.88354	2.0
273.07648	2.8
275.80573	2.0
315.13794	2.6
315.18085	9.0
441.46140	1.9
477.12057	3.3
477.23117	31.9
478.23434	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08051	1.5
55.01885	10.3
56.40121	1.5
57.03445	7.8
58.00593	4.1
59.01386	76.8
61.98839	12.4
62.15022	1.8
71.01390	100.0
71.56092	2.0
72.99327	5.4
73.02950	32.5
75.00886	9.3
81.44356	1.6
83.01397	16.6
85.02962	52.3
87.00866	8.5
89.02451	32.8
89.02948	3.0
95.01392	10.3
96.74039	1.7
96.96017	2.4
97.03011	2.2
97.39281	2.0
99.00881	13.7
101.02456	96.0
102.02796	2.2
107.83175	1.7
109.02946	2.5
113.02461	49.9
113.03262	3.0
113.06044	1.7
114.02809	2.6
118.98083	2.4
119.03471	13.1
123.66763	1.9
131.03540	2.5
143.03520	5.0
145.02953	4.2
159.03000	8.2
161.04561	39.2
162.04852	2.0
164.04808	2.8
173.04613	2.8
179.05650	4.0
179.07077	2.0
315.18158	39.3
316.18585	2.5
435.26248	2.3
452.94998	1.9
477.12253	2.7
477.23224	55.9
477.29742	7.6
478.23807	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39169	2.7
52.50743	3.0
59.01381	5.0
61.98823	4.1
70.06831	2.6
71.01383	6.8
72.11567	2.3
77.08446	2.3
78.95916	100.0
96.96019	17.5
96.96965	7.1
122.64199	2.5
152.99596	18.5
171.00645	23.7
199.53563	3.0
214.06828	2.9
255.90665	2.6
279.23300	37.9
280.23859	4.5
293.25015	2.6
321.24500	4.5
404.25891	2.9
431.87708	2.9
477.28711	8.2
477.35760	8.9
478.29401	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03461	1.6
58.37909	1.0
59.01389	100.0
60.01736	1.2
61.98838	13.6
71.01009	1.9
71.01391	31.0
71.55927	2.0
72.99301	1.2
73.02964	8.3
74.08940	1.1
83.01401	3.2
85.02969	14.4
87.00869	2.6
89.02462	11.4
93.03480	3.6
95.01411	4.7
99.00883	3.8
101.02458	19.4
109.02942	2.7
109.89392	1.2
111.00889	1.3
113.02467	12.9
119.03494	4.9
119.05002	3.1
120.05399	1.1
120.99689	5.3
125.00655	1.5
125.02403	2.7
128.03561	3.8
129.01947	2.0
135.04526	5.6
137.02516	1.3
143.03532	2.8
145.03026	1.6
151.00365	4.0
151.99355	2.5
153.00093	1.7
159.02998	3.5
161.04584	19.0
163.25430	1.0
171.07771	3.5
173.04626	2.3
179.05626	2.4
191.05673	2.2
218.90948	1.1
243.04855	3.8
261.05954	1.9
271.02493	1.3
271.06113	5.6
272.06488	4.2
273.06732	5.2
277.27975	1.0
281.06491	1.5
300.02933	1.3
315.21716	1.7
417.25034	40.3
418.25348	4.7
425.55411	1.2
477.11295	3.7
477.31415	1.5
478.26868	1.8
484.24905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.286
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
55.58704	0.8
59.01371	3.8
61.98826	1.9
64.38609	0.8
69.63192	4.1
71.01388	7.6
71.04973	1.1
78.95897	2.7
96.96004	1.8
97.06602	1.0
98.20655	0.9
109.06595	0.9
119.03867	0.8
123.08244	1.1
125.09744	2.1
152.99623	1.5
165.12868	2.0
184.88623	1.2
189.12852	2.3
198.73909	0.9
209.11781	1.2
291.19635	1.3
296.17920	1.5
303.87460	0.9
309.20648	3.2
311.20349	1.0
317.28394	1.3
317.70148	1.0
324.21078	1.4
327.23309	12.5
328.23660	1.2
347.55444	0.9
355.26440	2.2
399.25458	10.7
400.25986	1.3
415.28577	28.1
416.29028	2.5
433.29559	7.5
459.27313	4.1
477.28534	100.0
478.28857	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	477.2864
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
58.34608	0.7
59.01390	26.3
61.98836	1.9
63.62047	0.7
69.44855	3.3
69.45277	3.1
78.95927	1.7
81.52164	1.0
87.04546	1.1
96.96018	2.3
99.83342	0.7
116.56899	0.8
121.11601	0.8
137.06104	0.8
156.00810	0.7
164.83673	0.8
187.29413	0.8
209.11893	1.2
211.13429	1.0
260.09604	0.8
309.20911	1.0
325.07581	0.8
327.23416	2.1
343.26157	1.4
369.27948	0.9
371.29550	8.0
389.30658	2.3
415.28601	20.6
416.28833	2.5
433.29776	3.8
459.27023	2.0
477.28616	100.0
478.28918	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	478.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65192	0.4
57.03468	0.5
59.01379	5.3
61.98836	100.0
67.57927	0.5
71.01384	3.0
71.56353	0.9
72.14999	0.5
72.99327	1.7
74.02474	0.9
85.02977	1.9
87.00887	0.6
88.98827	2.0
89.02464	2.1
93.03481	1.8
97.03016	0.6
101.02466	1.2
109.03003	0.6
113.02455	1.3
116.03552	0.6
120.01293	0.5
123.63763	0.4
128.03580	2.5
131.03540	0.5
135.04536	1.7
137.02466	2.5
149.04549	1.2
160.04222	0.5
161.14644	0.5
169.12375	1.0
170.12668	0.9
173.04564	1.7
175.04129	0.6
179.03464	0.8
191.05582	2.6
197.04607	1.1
197.11902	1.5
198.12161	1.4
229.08679	0.5
232.39015	0.5
249.05620	0.7
250.05872	0.9
281.06741	1.2
321.31232	0.6
452.42999	0.5
478.14465	0.6
478.19861	2.4
479.11557	0.9
479.20868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0988
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
59.01385	5.8
61.98821	3.5
62.96409	1.5
65.00338	5.3
67.01895	2.3
68.99798	0.9
71.04974	0.7
77.81031	0.8
78.95918	6.5
79.01878	1.6
83.01400	1.6
95.01403	1.7
96.96027	2.0
107.01415	6.4
121.02950	1.1
123.00912	12.3
125.02466	1.7
137.02432	1.0
149.02458	1.1
151.00397	37.8
152.01045	2.6
152.99576	4.0
153.01985	1.4
161.02422	2.1
166.02734	3.6
185.02336	2.6
203.03560	1.2
211.13362	1.4
217.00172	1.0
227.03506	3.5
243.02887	1.0
249.11440	1.0
255.03067	2.4
270.01337	0.8
271.02481	6.9
283.02579	2.6
285.04126	2.8
293.21252	1.1
299.02039	19.7
299.05438	1.4
300.02615	2.3
305.04263	0.9
311.22244	6.1
313.03564	3.4
313.06918	1.0
314.04352	10.4
317.04349	1.2
329.06757	3.7
333.04083	1.3
346.04895	1.3
361.03561	2.4
362.04239	2.0
372.02304	1.0
373.03369	1.3
374.04230	5.0
375.05106	1.9
376.05429	1.0
388.05566	1.3
389.03119	1.7
390.03766	1.5
400.02182	1.6
402.03839	3.5
403.04340	1.2
404.04993	1.4
405.06305	1.2
417.06192	2.6
418.03220	2.6
431.03629	1.0
432.05008	7.2
433.05649	23.8
434.05927	2.3
435.07324	2.7
447.07227	29.8
448.07788	2.4
464.07526	17.9
465.07996	2.7
479.09879	100.0
479.24344	2.8
479.31274	6.3
480.10101	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	479.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	88.2
58.03790	1.7
59.01384	100.0
61.98835	23.8
69.88464	8.7
71.01395	10.1
73.02970	4.0
74.02475	4.9
75.00887	2.2
81.03480	2.1
82.19186	1.7
83.01385	2.2
85.02952	7.2
87.00884	3.5
89.02443	2.9
93.03456	7.6
96.95998	2.8
99.04527	72.7
101.02447	20.4
108.02168	3.5
109.02940	3.0
111.00941	2.1
111.04555	2.5
113.02453	5.8
119.03501	1.7
119.05029	2.4
120.99678	3.1
121.02965	2.0
121.06444	1.7
125.02468	28.3
125.79250	1.9
134.03809	2.3
134.06097	3.7
135.04517	5.8
137.02480	11.1
149.02406	4.1
152.01215	2.7
155.03540	2.1
161.02367	3.9
161.04550	3.8
163.04024	2.5
164.04727	2.7
168.59224	1.7
173.04602	13.6
177.01889	2.4
178.04985	2.7
179.03586	2.0
191.05588	7.3
196.90509	1.6
197.04601	2.5
305.10233	6.9
325.16302	1.9
419.26584	2.2
479.14957	2.3
479.26227	5.3
486.81732	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	479.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.5
59.01384	17.5
59.08371	0.6
61.98818	2.2
67.01857	1.2
71.01385	11.4
71.05035	0.9
71.32229	1.3
72.99291	1.7
73.02925	2.1
74.02485	7.8
74.99088	0.7
75.00865	2.9
81.03467	0.6
83.01385	1.2
83.05025	1.5
85.02506	0.9
85.02959	7.8
85.06600	0.9
87.00867	2.3
88.98750	0.9
89.02458	5.8
92.43342	0.6
93.02309	0.7
93.03451	3.1
95.01350	0.9
97.02934	1.3
99.00885	6.2
99.08174	1.0
101.02451	6.6
102.03941	0.6
104.58501	0.7
109.02950	0.9
109.06612	0.8
111.00871	1.6
111.04523	0.9
113.02460	7.4
118.98074	0.9
119.03526	1.3
119.29608	0.8
125.02415	0.9
125.09737	1.8
127.07672	0.9
129.09229	7.3
135.04492	1.9
137.02446	2.5
146.03644	0.7
148.68709	0.6
153.12793	1.1
155.03468	1.0
161.02478	0.8
161.04582	1.0
163.11250	1.9
165.12999	0.7
169.12341	0.8
171.10258	2.2
173.04634	3.9
173.05843	0.7
179.05685	0.8
181.12329	9.2
190.02689	1.7
191.05629	11.8
197.11823	1.5
199.04146	0.8
199.13405	35.3
200.04749	1.3
200.13684	1.8
201.09187	1.2
205.04994	2.3
207.10287	9.5
223.04623	0.8
225.11325	21.9
226.11595	0.8
229.08640	3.5
229.14459	3.3
243.12383	9.6
249.06128	4.6
253.09218	1.4
255.06616	2.0
267.07205	1.4
273.07590	1.9
287.09323	1.8
305.10333	2.4
306.87402	0.7
316.17987	0.7
443.15393	2.0
461.19879	4.3
479.21207	100.0
479.26535	7.5
480.15527	0.9
480.21603	9.7
480.27438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00735	1.7
55.44609	2.0
59.01365	1.9
62.42498	1.8
62.97569	1.8
69.40567	12.6
78.95934	2.7
81.03477	3.3
84.85896	1.8
89.86378	1.9
91.05553	6.3
92.05069	73.7
93.05352	2.5
94.58160	2.1
96.96003	5.4
98.20669	3.7
117.05602	2.2
129.65396	2.7
131.03787	4.5
131.05106	1.8
135.14912	2.8
136.04086	17.9
146.09824	4.2
159.11790	5.3
162.83803	1.9
186.12927	2.4
190.08856	2.4
192.10338	11.3
218.08261	5.3
236.09288	51.9
237.09550	4.3
245.04295	2.4
260.12927	18.4
429.89261	2.0
479.21909	100.0
479.29239	7.0
480.22134	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	479.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36820	1.2
53.08787	1.1
59.01398	6.2
61.98823	2.8
65.74999	1.1
69.03474	1.7
71.01371	1.4
71.05008	1.6
71.56300	1.3
71.90678	1.3
76.27322	1.3
78.44495	1.2
78.75097	1.2
78.91898	4.2
78.95909	10.9
80.96545	2.7
96.16386	1.1
96.96043	6.4
97.02930	1.3
97.06624	1.3
110.25089	1.3
110.98528	7.4
125.09740	1.5
125.27403	1.2
129.09221	1.6
137.09781	1.3
139.11307	4.5
144.94063	2.3
152.99628	2.3
165.12886	1.6
167.01141	3.6
167.14392	1.1
169.12329	1.5
171.10277	15.0
181.12318	1.7
185.02229	7.7
193.12376	4.6
197.11861	3.3
199.13397	1.7
201.96246	4.8
209.11917	1.5
211.13390	7.9
249.22403	1.4
286.09360	1.4
293.21228	17.1
294.21680	1.8
311.22321	100.0
312.22665	6.9
330.39850	1.4
479.24170	30.9
479.30243	6.0
480.24686	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	479.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01328	1.1
57.03455	1.8
59.01398	5.1
61.98830	1.4
69.30700	9.5
71.01379	1.2
73.69488	1.2
78.95911	12.0
80.96539	1.2
87.04527	1.7
96.96022	3.9
99.08173	1.7
101.02413	1.5
110.98545	8.2
113.09745	3.3
125.09727	1.6
127.07763	1.0
129.09250	3.8
137.02498	1.3
139.07713	1.0
139.11307	1.4
140.68922	1.0
142.20924	1.2
152.99617	3.9
153.12840	1.2
162.83934	1.7
167.01155	3.5
169.12392	2.9
171.10307	3.4
181.12373	3.5
182.42130	1.1
183.13957	2.6
185.02217	8.9
197.11819	10.6
199.13434	4.1
211.13387	16.1
225.11411	2.0
254.42587	1.2
275.20163	1.8
293.21225	14.4
307.06653	1.2
311.22305	100.0
312.22800	7.5
435.30954	5.4
443.14703	1.3
479.24222	30.6
479.30267	13.6
480.24243	3.8
480.30042	2.4
492.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3384
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
59.01384	1.7
60.32241	0.8
62.22570	0.7
66.71108	0.9
69.53042	3.5
69.53462	2.5
71.01390	1.8
78.95901	3.6
80.95131	0.9
84.59415	0.8
93.41148	1.0
96.96016	3.8
108.20409	0.8
110.98555	6.6
135.97058	1.0
148.36829	0.9
150.66864	0.8
179.01305	0.9
185.02214	12.9
185.03792	0.8
210.81219	1.0
253.21715	3.5
281.24805	1.3
311.17639	1.3
338.85474	0.8
341.28427	5.0
341.92175	0.8
342.28873	1.0
343.30090	56.5
344.30310	5.6
345.31656	22.4
346.32040	2.1
357.28058	2.1
373.34726	13.9
374.34772	1.2
377.30829	5.0
389.30682	4.2
391.35782	1.1
392.92746	0.8
405.10257	0.8
417.33771	42.2
418.34030	4.4
421.23444	2.7
435.34796	2.5
479.19476	3.0
479.33817	100.0
480.34131	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	480.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77652	0.6
59.01386	6.3
61.98837	22.4
63.79400	0.5
71.01385	0.9
76.30681	0.5
85.02962	2.0
87.00895	0.9
93.03454	3.5
107.09705	0.6
109.02973	2.1
111.00919	1.9
111.04495	1.2
113.02438	1.0
119.05051	0.7
121.02958	1.7
125.02456	1.6
133.02957	10.1
135.04521	2.2
135.06584	0.6
137.02490	1.2
147.04526	1.9
149.02477	1.1
155.03566	0.6
161.02493	1.7
163.00377	1.8
163.04019	2.3
165.01920	2.2
173.00963	0.8
173.04608	6.5
173.06021	1.2
175.04059	3.4
177.01952	1.5
187.04034	0.6
187.07664	4.3
191.01915	0.6
191.03604	1.5
191.05634	3.5
193.01463	1.3
199.04021	1.2
201.02010	0.9
202.06352	1.3
211.04173	1.1
213.05666	0.7
215.07201	0.6
225.05675	1.0
231.10381	1.1
240.04298	0.8
241.05127	0.6
253.04871	1.2
255.03021	1.1
255.06726	0.6
256.03638	0.7
263.12918	1.6
280.68643	0.6
284.03305	9.8
285.04056	8.5
286.04483	0.7
297.04059	15.6
298.04807	7.8
299.05618	19.0
300.06009	1.3
307.11984	3.2
309.04041	0.8
311.05725	2.3
324.02768	1.0
327.05124	92.5
328.05405	6.6
339.05200	3.0
341.06717	1.1
357.06174	19.5
358.06528	2.1
363.05161	0.7
369.06143	0.7
381.06244	1.7
417.08295	100.0
418.08676	9.5
449.14719	0.9
481.16843	1.0
481.64276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40327	0.8
51.48803	1.0
57.03477	1.3
59.01383	10.2
60.40427	0.8
61.98835	20.1
62.84988	0.8
68.47002	0.8
69.60204	5.2
71.01394	4.8
73.02971	1.3
74.99151	1.1
81.03488	1.0
83.01392	1.2
85.02956	3.6
87.00838	0.9
90.99548	0.8
93.03477	3.0
95.01404	1.1
99.00880	0.9
101.02488	2.9
108.02187	9.3
109.02960	11.5
111.00888	1.6
113.02446	1.5
119.05058	1.5
121.02958	1.3
125.02467	2.6
133.02965	10.2
134.03745	1.1
135.04555	2.5
137.02525	1.0
145.03006	1.4
147.04510	1.5
149.02417	1.7
151.04073	0.9
152.01155	10.6
153.01959	3.5
161.02449	2.6
163.00404	2.2
163.04060	2.3
173.04573	5.2
175.04042	2.7
177.01945	1.1
191.03534	1.8
191.05663	4.7
193.01480	1.5
199.03896	0.8
201.01936	1.2
202.13249	0.8
203.03558	1.3
205.03491	1.1
211.13501	1.3
213.05766	1.0
227.03575	0.9
231.10289	1.9
241.05280	1.2
243.93243	0.9
263.12991	1.3
284.03308	8.4
285.04007	8.5
297.04028	15.7
298.04770	11.3
299.05640	17.8
300.06000	1.4
309.04199	0.9
311.05621	3.7
325.03442	1.3
327.05121	84.1
328.05435	5.2
339.05215	4.4
357.06171	24.7
358.06329	1.9
369.06131	1.6
381.06149	2.5
417.08310	100.0
418.08524	8.6
481.17227	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	480.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.1
62.96427	0.1
70.56375	0.2
78.95915	17.9
82.76128	0.1
96.96036	0.1
96.96970	0.3
122.98563	0.2
134.98492	0.1
142.71475	0.1
142.93365	0.1
151.66537	0.1
152.98367	0.2
152.99615	3.0
168.04337	2.8
168.05473	0.0
171.00650	0.2
186.36362	0.1
194.05931	0.2
208.26314	0.1
224.06956	8.7
225.07291	0.2
237.22194	0.2
242.08028	1.8
245.04330	1.3
253.21783	0.8
255.23323	100.0
256.23657	6.3
283.25699	0.1
376.56369	0.1
391.22430	0.2
464.08600	0.1
480.31003	23.5
481.25595	0.3
481.31461	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	481.0993
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.03371	0.4
52.67196	0.6
57.03465	1.2
59.01371	2.6
67.01915	2.1
68.99824	0.6
69.03487	1.3
69.73874	2.5
71.01406	3.7
72.99335	0.5
73.02979	0.8
81.03493	1.0
83.01421	1.0
83.05042	1.3
83.10938	0.5
85.02959	12.0
87.00902	2.2
91.01917	0.9
93.03470	12.1
93.04010	0.7
95.01408	1.9
97.02984	2.0
97.84260	0.5
101.02464	0.9
107.01440	1.2
108.02228	1.7
109.02985	2.3
111.00900	5.1
111.04553	3.9
113.02475	1.1
121.02990	0.7
123.00904	9.4
123.04538	2.8
124.01683	13.9
125.02463	21.2
126.02830	0.9
127.04031	2.6
129.02003	0.8
130.13951	0.5
135.04555	0.7
137.02452	3.5
138.03281	1.3
139.00368	0.8
139.04031	1.6
140.53801	0.5
149.99600	20.8
151.00290	1.9
152.01167	2.2
153.01944	1.4
154.99878	0.6
155.03485	2.9
158.20924	0.6
159.04620	0.7
162.14432	0.6
167.03508	6.8
168.00658	36.5
169.01378	3.2
171.03041	0.9
173.00908	1.4
173.04578	29.1
173.06032	2.5
174.04860	0.9
174.06877	2.1
175.07578	0.9
182.02277	1.0
183.03046	1.0
187.04015	1.5
187.07660	11.4
191.05629	100.0
192.05951	2.8
197.04593	1.7
201.05539	1.1
202.06335	6.6
203.10884	3.0
213.09209	3.6
215.07146	2.0
231.10283	7.4
232.10707	0.7
245.11847	1.8
257.08270	1.0
257.77649	0.6
263.12857	2.8
269.06784	0.7
275.09311	9.3
275.12100	1.1
276.09579	0.7
289.10800	2.4
301.09082	0.6
307.11926	12.3
308.12183	0.7
311.07654	2.2
313.05588	1.6
331.06778	3.7
341.08600	2.0
350.37405	0.6
449.14606	7.4
450.14914	0.8
463.08566	1.0
481.09763	61.0
481.16086	3.0
482.10034	5.8
482.16385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01105	0.8
59.01387	13.0
61.98832	2.0
67.01896	4.2
69.73537	1.7
71.01387	13.2
72.99322	3.7
73.02589	0.4
73.02936	2.4
78.95906	1.7
81.03462	0.5
81.60009	0.4
83.01390	4.3
83.05013	0.5
85.02959	23.1
87.00887	2.1
89.02451	9.7
93.03469	4.3
96.96022	0.5
97.02951	0.6
99.00874	2.2
101.02454	9.5
107.10036	0.4
109.02989	0.6
111.00891	100.0
112.01215	1.7
113.02451	3.5
119.03513	1.3
124.01672	1.0
125.02436	1.2
129.01956	5.6
129.04936	0.4
131.03526	3.7
133.02940	1.0
134.03757	2.3
135.04510	1.2
137.02446	0.9
139.04008	0.6
143.03532	1.0
149.04546	6.6
152.99580	2.5
154.27570	0.5
154.99884	14.0
155.03484	0.6
161.02458	1.0
161.04532	2.4
173.00923	33.0
173.04524	6.9
174.01196	0.7
174.26729	0.4
175.03986	0.5
178.02719	0.8
179.03473	0.5
179.05602	0.5
191.05637	6.5
196.02579	0.5
205.03543	1.2
233.11678	0.4
275.09232	1.1
289.16620	5.9
306.07208	0.5
307.11850	0.9
421.20831	12.7
436.32657	0.4
461.31015	0.4
481.17114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
63.06834	1.1
67.01887	4.3
67.81794	1.2
69.28827	6.1
69.29253	4.3
71.01380	4.6
81.03471	2.1
81.22333	1.2
85.02962	10.7
87.00899	4.3
93.03468	25.1
96.00909	1.8
98.19926	2.3
99.83717	1.2
100.93625	1.3
109.02966	14.1
111.00913	2.3
111.04512	6.0
114.19530	1.1
116.68334	1.2
121.02962	2.1
122.03727	2.7
127.04026	2.8
129.01961	1.3
134.03873	1.1
135.04552	2.4
137.02440	5.3
146.03729	1.2
148.05315	1.1
155.03520	5.5
158.03740	2.0
159.04492	5.1
169.13574	1.2
172.05310	5.1
173.04588	64.0
173.06027	5.5
174.04941	2.1
174.06688	1.5
184.05330	1.5
187.04099	5.7
187.07663	45.7
188.08025	2.6
191.05635	100.0
192.05920	2.3
197.06064	3.0
201.05679	6.1
201.41467	1.2
202.06375	45.5
203.06776	1.7
203.10800	3.7
213.09242	16.4
213.90846	1.2
215.07140	2.5
231.10284	86.7
232.10570	4.6
245.11757	1.8
257.08185	3.9
263.12967	3.3
265.07202	1.6
275.09290	33.5
276.09714	2.7
307.11804	7.5
449.14633	21.6
450.15054	1.9
481.17151	9.6
482.17526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27974	0.6
55.89241	0.7
57.03461	0.6
59.01384	4.0
61.98827	1.9
69.83508	2.1
69.83915	1.3
71.01394	3.4
73.02968	0.8
75.00881	2.0
78.95950	0.6
83.01411	0.6
84.84079	0.6
85.02968	1.8
85.41223	0.6
89.02455	2.0
93.03474	1.1
96.96038	1.1
101.02461	2.1
102.74698	0.6
109.02949	1.1
113.02425	1.2
119.05019	0.7
121.69313	0.6
133.03053	0.9
134.03751	1.1
135.04564	1.6
136.01666	2.5
149.06079	0.6
151.04045	2.2
154.39558	0.7
159.86372	0.7
161.04510	0.7
163.04037	0.7
173.04564	1.2
185.06082	1.8
191.05592	2.0
195.04416	1.5
197.06075	1.1
212.04666	0.7
213.05595	10.2
214.06017	0.8
216.40414	0.7
223.04054	1.8
224.04764	2.0
234.99095	0.8
241.05096	58.4
242.05412	3.9
256.07443	46.5
257.07779	1.9
271.09796	100.0
272.10123	7.1
319.11908	18.8
320.12125	1.5
385.75244	0.6
409.37085	0.7
421.21072	1.2
481.19412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01306	0.7
57.03453	1.7
59.01385	1.9
60.99298	1.6
61.98835	0.8
67.01901	6.9
69.03467	2.2
69.20765	0.7
69.33469	1.5
69.33887	4.6
69.36605	0.8
71.01402	4.0
79.86192	0.7
81.03468	0.8
83.05034	2.0
85.02947	1.1
87.00883	5.1
93.03471	44.6
94.03795	1.1
94.86731	0.7
97.06596	2.4
99.00920	0.9
109.02957	1.2
109.39108	0.6
111.04550	8.8
113.02486	1.1
121.02962	1.2
127.03985	0.8
129.01938	1.2
133.02971	6.5
134.03763	42.1
135.04578	9.1
137.02467	8.6
139.04065	1.5
140.53920	0.6
155.03549	5.9
162.03236	1.3
173.04567	100.0
174.04880	2.2
177.01962	10.3
178.02734	36.3
179.03494	7.2
181.74228	0.7
191.05606	1.5
231.10284	3.2
268.78561	0.7
275.09262	14.0
307.11896	27.6
308.12344	1.3
337.95782	0.7
449.14581	3.6
481.17206	17.1
482.17490	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	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38192	0.3
55.86038	0.3
59.01380	1.5
61.98823	1.5
67.01926	0.5
70.38234	0.4
71.01385	1.1
73.02952	0.4
81.03461	0.7
83.05025	1.1
85.02957	1.1
87.00904	0.4
89.02478	0.3
93.03479	4.0
97.06596	5.7
101.02473	0.4
106.04269	0.7
109.02982	0.6
111.00895	0.5
111.04523	3.6
113.03270	0.3
121.02934	0.4
127.04022	0.6
129.01944	0.4
133.02983	4.1
134.03757	100.0
135.04614	7.3
137.02440	2.6
139.04007	0.4
155.03535	3.9
159.04555	0.3
165.68338	0.4
173.04564	10.4
173.06061	0.6
177.01950	5.4
178.02724	18.9
179.03435	2.1
187.07722	0.6
191.05620	4.0
202.06323	0.3
231.10265	4.3
252.78355	0.3
257.64273	0.3
275.09271	5.6
276.09805	0.3
307.11887	91.2
308.12222	6.2
331.29922	0.3
438.84262	0.3
481.17014	3.7
481.22488	0.5
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
50.24172	0.4
50.25065	0.5
57.03452	1.4
59.01395	2.3
59.18505	0.4
60.99309	2.3
67.01897	9.6
69.03456	2.4
69.21492	4.8
71.01392	4.9
76.71562	0.5
81.03456	1.4
83.05042	1.5
85.02966	0.7
87.00879	7.2
93.03468	61.4
94.03802	0.8
97.06597	1.7
99.00914	0.9
99.04525	0.7
103.15183	0.5
109.02950	0.8
111.00932	1.2
111.04533	9.8
115.03992	0.7
121.02966	0.5
125.70528	0.5
129.02003	0.9
133.02968	3.9
134.03763	32.0
135.04614	3.2
136.93399	0.5
137.02466	7.6
139.04004	1.1
155.03503	5.7
161.94270	0.4
173.04568	100.0
174.04927	3.1
177.01942	4.9
178.02733	18.1
179.03404	1.8
231.10268	2.2
240.32492	0.5
275.09271	6.1
276.09869	0.6
307.11896	12.9
308.12180	0.8
449.14484	3.4
481.17169	13.1
482.17691	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88831	0.8
57.03451	1.4
59.01389	3.3
59.01657	0.6
60.99306	3.2
61.98858	0.9
67.01896	10.6
69.03461	2.0
71.01389	4.4
71.05037	0.7
71.32592	1.2
73.02956	0.9
73.64956	0.6
77.55067	0.7
79.48827	0.6
81.03481	1.5
81.73577	0.7
83.05021	1.5
85.02955	2.8
85.49109	0.6
87.00882	6.9
89.02475	0.7
90.34039	0.8
92.54198	0.7
93.03471	59.9
94.03777	1.2
97.06577	0.8
99.00918	0.9
99.04528	0.9
109.02957	1.3
111.00889	8.1
111.04540	9.4
113.02465	1.1
128.89175	0.8
129.01909	1.8
133.02969	4.1
134.03757	7.7
135.04552	3.7
137.02458	6.3
155.03546	4.8
173.00999	2.2
173.04565	100.0
174.04893	3.4
177.01930	3.7
178.02754	11.1
179.03386	1.5
191.05653	1.0
231.10403	0.9
275.09448	3.5
307.11813	1.3
449.14575	16.2
450.14853	1.2
481.16971	9.3
482.18002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	60.9
61.98831	19.2
69.22858	100.0
71.01391	30.9
71.47126	8.7
72.49743	8.7
73.02940	9.6
78.95897	15.2
81.58109	10.1
83.01407	9.4
83.05016	15.0
85.02970	20.0
93.99924	11.1
96.96001	14.1
97.06614	11.5
101.02423	13.1
111.04548	13.3
113.02470	12.3
152.99574	10.3
163.07648	10.3
173.04506	22.8
367.90622	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03445	1.7
58.00611	0.6
59.01383	17.3
61.98829	3.2
65.72604	0.5
67.01898	5.5
69.03468	0.7
69.26260	3.4
69.26660	1.7
71.01390	20.2
71.06013	0.5
72.99315	4.5
72.99669	0.8
73.01057	0.6
73.02944	4.3
78.95919	4.2
79.95679	0.5
81.03471	0.9
83.01385	4.5
83.05029	0.7
85.02959	25.2
86.03271	0.6
87.00884	2.0
89.02448	10.4
93.03466	13.5
93.04018	0.9
94.91405	0.5
95.01391	1.6
97.02926	1.0
98.20589	1.3
99.00877	3.3
101.02460	13.0
108.02221	0.9
109.02966	1.3
111.00893	100.0
111.04544	2.1
112.01206	2.3
113.02455	7.1
115.04131	0.6
119.03527	1.4
121.02918	0.8
124.01646	0.8
125.02448	1.9
129.01965	7.7
131.03526	3.4
133.02971	2.1
134.03752	4.4
135.04533	1.7
137.02478	2.9
139.04044	1.2
143.03485	1.3
149.04570	5.0
152.01146	0.6
152.99597	5.9
154.38046	0.6
154.99873	13.0
155.03481	0.9
159.02998	1.1
160.01677	1.0
161.02457	0.7
161.04590	5.2
171.00673	0.6
173.00932	30.0
173.04556	26.1
174.01314	0.7
174.04910	0.7
175.04054	1.2
177.01955	1.6
178.02710	2.0
179.03464	1.2
191.05609	7.6
193.05075	0.6
205.03548	2.1
275.09305	1.5
289.16620	14.6
290.17075	1.2
307.11926	1.9
308.09503	1.1
367.41840	0.7
421.20825	15.6
422.21228	1.4
449.14670	1.7
481.15668	3.7
481.22894	1.0
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
55.01893	0.6
57.03456	1.0
58.00604	0.5
59.01384	15.6
61.98832	2.1
67.01897	4.2
69.03460	0.7
71.01003	0.9
71.01388	12.9
71.56765	0.7
72.99316	3.7
73.02939	3.4
78.95911	2.1
83.01402	4.9
85.02962	23.5
85.90721	0.5
86.03288	0.6
87.00885	1.7
89.02454	11.1
93.03465	6.9
95.01398	1.3
97.02962	0.7
99.00862	2.4
101.02461	11.2
109.02963	0.7
111.00892	100.0
111.04508	1.1
112.01220	1.7
113.02459	4.9
119.03509	1.4
122.84090	0.4
124.01717	0.5
125.02468	1.3
129.01964	6.6
131.03522	5.6
133.02979	0.7
134.03809	2.3
135.04527	1.5
137.02460	1.6
139.04041	1.3
143.03526	0.9
149.04581	8.0
152.99615	3.1
154.99887	12.7
155.01099	0.9
155.03522	0.6
161.02481	1.1
161.04596	3.1
164.80447	0.4
173.00938	31.0
173.04549	10.6
174.01282	1.0
175.04073	0.5
177.01999	0.7
178.02699	1.6
179.03596	0.8
179.05638	0.9
191.05615	6.1
205.03549	1.6
227.95546	0.5
231.10197	0.6
248.06995	0.6
275.09259	0.8
289.16611	8.8
307.11835	0.7
308.09363	0.6
421.20782	15.0
422.20929	0.7
449.14383	0.6
481.17053	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	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03452	3.3
59.01383	22.1
61.98834	4.9
67.01913	3.3
69.03477	2.4
69.70264	1.9
71.01388	19.6
71.56783	3.2
72.99313	3.6
72.99732	1.8
73.02950	4.4
74.02468	2.2
75.00896	1.7
81.03469	2.0
83.05032	6.2
83.34563	1.7
85.02967	29.0
87.00866	3.3
89.02454	12.1
93.03468	23.8
95.01394	3.1
96.96022	45.7
99.00876	3.1
101.02460	14.1
106.73231	1.8
108.02173	3.7
109.02985	3.9
111.00904	9.1
111.04531	8.5
113.02454	7.2
119.03508	4.9
119.05041	2.8
122.06104	1.9
123.04538	3.8
125.02458	2.8
127.04045	2.4
127.11295	2.3
129.01979	4.0
135.04559	6.5
137.02426	7.8
138.86102	1.7
143.03560	2.8
145.02988	8.6
147.04466	2.1
149.02512	2.6
153.01967	2.1
155.03502	8.3
158.03745	6.3
159.04527	13.5
161.02455	2.7
161.04568	4.4
163.04031	4.1
165.05536	3.1
172.05286	3.3
173.00879	2.4
173.04552	32.5
173.06055	6.7
177.01964	10.5
178.02580	2.1
179.03484	5.7
179.05620	2.2
183.04585	4.2
187.04086	3.4
187.07658	46.5
188.07948	1.9
191.01949	4.4
191.05635	100.0
192.04298	4.5
192.05927	3.2
192.53041	1.8
194.05902	1.8
195.06595	4.7
201.05556	3.9
201.11348	42.4
202.06371	11.4
203.10808	7.0
205.03654	2.8
209.03014	3.6
209.11844	74.4
210.12077	2.7
213.09204	22.0
215.07170	3.5
216.07861	1.9
225.07512	2.2
227.12866	15.1
228.04451	2.0
231.10286	27.9
245.08267	2.2
253.09315	21.9
263.12665	3.5
271.09842	2.2
275.09280	95.3
276.09476	5.3
289.10724	11.6
296.06949	2.6
307.11780	12.7
308.07257	6.3
339.08621	4.9
437.20203	3.3
443.15607	5.2
449.14444	21.0
472.13367	1.8
481.17630	11.7
481.22864	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	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03859	0.9
57.20914	1.0
70.79000	1.3
70.79353	3.0
78.95911	40.2
86.87624	1.0
96.96972	4.1
119.62378	1.1
152.99600	61.6
171.00658	15.7
174.23315	1.0
227.03265	3.4
245.04326	100.0
246.04768	3.1
253.21730	61.0
254.22154	4.1
405.79889	1.1
481.25693	37.7
482.26205	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	483.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68854	0.6
57.03453	0.8
59.01389	4.0
61.98839	3.6
65.00333	0.6
66.75158	0.6
70.47171	0.8
70.47509	1.4
71.01388	3.0
73.02951	0.9
75.00900	0.6
79.16626	0.6
83.01391	0.8
84.76335	0.6
85.02970	2.9
87.00884	1.6
89.02456	1.1
91.01937	0.7
91.25137	0.6
93.03471	2.3
93.45592	0.6
96.96021	1.6
97.02944	1.0
101.02464	1.5
107.01475	0.7
108.02198	0.8
109.02960	2.7
111.04493	0.8
113.02465	1.0
115.03986	0.6
116.05097	7.9
116.92864	0.9
119.05008	0.7
121.02957	2.2
125.02453	2.8
125.53856	0.6
129.01880	0.6
132.04466	0.6
133.02963	11.0
134.03761	1.2
135.04532	2.3
137.02452	2.4
137.03392	0.6
137.28210	0.6
144.04561	9.0
145.04944	0.7
146.03720	0.7
149.02461	3.3
149.96053	0.5
149.99538	1.1
150.84010	0.7
152.01213	0.7
153.02028	0.8
159.07733	0.7
160.01660	1.0
161.02466	3.4
162.05573	0.8
163.00380	2.1
163.04033	2.9
164.04814	1.2
165.01884	1.2
168.00665	2.3
173.02376	0.6
173.04604	3.3
175.00377	2.3
175.02744	0.6
175.03999	3.7
177.01987	0.8
179.03488	1.1
182.78117	0.6
190.02768	4.5
191.03580	1.8
191.05621	6.1
192.05899	0.9
193.01440	1.1
198.03203	0.6
199.03996	0.9
201.01884	1.1
205.05074	4.5
213.05582	1.1
223.06152	1.8
225.05489	1.5
227.03552	1.0
240.04179	0.8
241.05162	0.8
243.09248	3.7
253.05156	1.6
255.06657	0.8
261.10294	1.8
269.04440	1.1
273.10449	1.2
280.99512	0.6
284.03296	7.5
285.04041	8.9
285.10330	0.7
286.04538	0.8
297.04059	20.9
298.04782	9.8
299.05600	14.7
309.03687	0.6
311.05539	3.3
324.02582	1.2
325.03439	1.4
327.05112	100.0
328.05502	6.2
328.41321	0.6
339.04984	4.3
341.06415	0.7
357.06198	44.4
358.06638	3.7
369.06149	5.7
380.44095	0.6
393.06174	2.5
405.03833	0.7
411.07568	0.6
439.16608	0.7
447.09259	31.4
448.09695	3.6
483.14728	6.7
484.16162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68854	0.6
57.03453	0.8
59.01389	4.0
61.98839	3.6
65.00333	0.6
66.75158	0.6
70.47171	0.8
70.47509	1.4
71.01388	3.0
73.02951	0.9
75.00900	0.6
79.16626	0.6
83.01391	0.8
84.76335	0.6
85.02970	2.9
87.00884	1.6
89.02456	1.1
91.01937	0.7
91.25137	0.6
93.03471	2.3
93.45592	0.6
96.96021	1.6
97.02944	1.0
101.02464	1.5
107.01475	0.7
108.02198	0.8
109.02960	2.7
111.04493	0.8
113.02465	1.0
115.03986	0.6
116.05097	7.9
116.92864	0.9
119.05008	0.7
121.02957	2.2
125.02453	2.8
125.53856	0.6
129.01880	0.6
132.04466	0.6
133.02963	11.0
134.03761	1.2
135.04532	2.3
137.02452	2.4
137.03392	0.6
137.28210	0.6
144.04561	9.0
145.04944	0.7
146.03720	0.7
149.02461	3.3
149.96053	0.5
149.99538	1.1
150.84010	0.7
152.01213	0.7
153.02028	0.8
159.07733	0.7
160.01660	1.0
161.02466	3.4
162.05573	0.8
163.00380	2.1
163.04033	2.9
164.04814	1.2
165.01884	1.2
168.00665	2.3
173.02376	0.6
173.04604	3.3
175.00377	2.3
175.02744	0.6
175.03999	3.7
177.01987	0.8
179.03488	1.1
182.78117	0.6
190.02768	4.5
191.03580	1.8
191.05621	6.1
192.05899	0.9
193.01440	1.1
198.03203	0.6
199.03996	0.9
201.01884	1.1
205.05074	4.5
213.05582	1.1
223.06152	1.8
225.05489	1.5
227.03552	1.0
240.04179	0.8
241.05162	0.8
243.09248	3.7
253.05156	1.6
255.06657	0.8
261.10294	1.8
269.04440	1.1
273.10449	1.2
280.99512	0.6
284.03296	7.5
285.04041	8.9
285.10330	0.7
286.04538	0.8
297.04059	20.9
298.04782	9.8
299.05600	14.7
309.03687	0.6
311.05539	3.3
324.02582	1.2
325.03439	1.4
327.05112	100.0
328.05502	6.2
328.41321	0.6
339.04984	4.3
341.06415	0.7
357.06198	44.4
358.06638	3.7
369.06149	5.7
380.44095	0.6
393.06174	2.5
405.03833	0.7
411.07568	0.6
439.16608	0.7
447.09259	31.4
448.09695	3.6
483.14728	6.7
484.16162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01731	0.8
61.98844	1.5
63.44914	0.5
66.07048	0.5
67.39584	0.6
71.01390	4.1
78.95921	1.1
83.01398	1.0
85.02946	1.5
87.00887	1.3
89.02475	1.5
96.96041	1.0
100.38987	0.6
101.00830	0.6
101.02465	1.6
102.51722	0.6
111.00884	6.0
113.02506	1.0
119.03550	1.3
119.05035	1.5
121.02979	1.6
129.51314	0.6
137.02437	0.8
152.99710	0.7
173.01053	1.2
233.04411	1.3
299.05786	1.1
327.05099	3.7
447.09540	2.6
447.24347	0.7
459.45749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61351	0.4
57.15086	0.5
59.01378	1.2
69.64086	1.0
69.64504	2.2
71.01393	1.7
74.97147	0.5
78.95901	3.7
79.95746	2.3
83.01389	0.7
85.02973	1.4
93.03470	1.0
96.96025	100.0
96.96920	6.9
98.19911	0.6
99.00887	0.6
108.02199	2.1
109.02972	1.7
110.03299	0.9
114.83330	0.5
116.88628	0.5
136.66811	0.5
147.04576	0.6
149.06073	0.5
152.01167	2.9
153.01544	1.2
166.05106	0.9
167.33887	0.6
173.04608	1.4
191.05580	2.6
191.92133	0.5
217.05215	0.8
221.04582	1.6
291.08807	0.7
298.67664	0.5
303.17209	0.6
463.71307	0.5
483.13391	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	483.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95531	3.3
59.01389	68.3
61.98846	31.9
62.18155	3.0
62.69322	3.8
66.21339	3.1
71.01395	65.8
71.55556	4.2
72.99319	6.5
73.02966	12.0
83.01415	7.7
85.02960	27.1
87.00899	6.0
89.02464	70.7
93.03465	6.7
95.01461	4.6
96.96027	100.0
99.00925	4.0
101.02449	33.3
108.10806	3.4
111.08247	3.5
113.02465	14.8
116.05060	5.4
119.03535	7.4
119.05058	3.8
125.02443	10.0
129.02008	4.7
131.03525	15.4
143.03549	3.4
147.03152	3.1
149.04584	34.7
161.02498	5.0
161.04611	13.2
163.04005	3.9
165.05571	11.3
173.04514	6.9
179.05640	7.9
191.01993	3.7
191.05608	22.2
203.08337	17.1
209.03018	8.0
233.06642	3.9
242.23418	4.2
257.73502	4.3
273.10263	3.5
291.10983	7.6
293.08841	9.5
423.15158	63.1
424.15323	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	483.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37498	0.7
52.84575	0.8
59.01391	2.6
61.98825	1.5
65.41980	0.7
69.58047	1.9
69.58459	2.4
71.01395	1.8
72.00922	11.0
75.88873	0.7
85.02961	1.9
86.10513	0.7
87.00880	0.8
89.02470	1.9
93.03476	0.9
96.96027	15.7
98.19913	1.1
101.02459	0.7
104.75162	0.7
112.07686	2.6
113.02451	1.2
119.03515	0.7
119.05046	0.9
124.04065	1.7
129.84575	0.7
135.04474	0.9
137.02400	0.8
142.05109	2.5
145.01476	0.8
147.04535	37.6
148.04842	1.4
156.06665	2.2
164.07179	100.0
165.07509	4.0
173.04546	1.1
191.05637	2.1
209.03058	1.1
231.56601	0.6
239.92200	0.7
483.11716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14396	13.5
53.13895	12.5
59.01386	100.0
60.91631	12.8
61.98832	20.4
69.19678	46.9
69.20103	82.6
71.01392	32.4
71.20884	15.0
71.28192	14.1
73.02960	11.5
74.02462	16.2
78.95905	35.9
85.02943	45.1
93.03438	17.7
98.19884	29.0
98.96671	14.9
101.02422	27.6
113.02456	14.8
121.02921	17.8
122.49107	15.1
128.03571	62.2
134.03728	22.4
143.04639	51.1
145.08693	20.5
152.99620	65.8
161.04573	13.1
211.13387	20.7
254.07689	23.9
272.08926	29.2
288.06171	13.0
299.05640	15.9
306.07663	48.3
307.13950	52.3
327.05090	36.6
357.06192	15.5
447.09448	29.6
456.95428	14.1
483.19714	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	21.8
59.01390	97.2
61.98843	45.4
71.01392	82.1
71.56860	7.2
73.02965	19.0
78.95917	12.5
83.01398	16.9
85.02952	51.3
87.00900	9.6
89.02451	23.5
93.03474	12.4
96.95999	22.5
97.06585	13.1
99.00899	11.1
101.02448	50.0
109.02956	15.0
110.40878	8.6
113.02479	27.1
119.03571	8.6
121.02950	9.5
124.47567	8.1
125.02419	11.5
133.02962	14.4
135.04553	11.5
137.02428	21.9
152.01175	7.4
152.99570	25.8
153.01947	7.7
161.02524	13.7
161.04553	10.5
163.03967	12.9
173.04575	21.0
191.05588	23.6
196.02473	9.1
211.13397	23.3
297.04044	18.8
298.04962	11.6
299.05557	15.0
327.05130	100.0
327.21802	14.7
357.05994	20.7
377.94412	10.5
447.09280	58.8
483.22800	15.4
483.33575	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	483.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58861	0.8
50.71291	0.8
59.01386	100.0
61.98832	2.6
71.01395	1.4
73.02940	1.0
75.00882	8.7
89.02445	1.9
92.92808	1.2
95.52440	0.9
96.96017	2.6
106.30191	0.8
111.00863	1.2
121.10239	2.9
135.03008	8.3
135.39702	0.8
171.10272	7.7
172.88037	3.4
275.20193	12.1
276.20676	1.3
293.21277	13.2
327.05148	2.3
357.06152	1.0
447.09357	2.0
483.27435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34893	0.4
63.37098	0.5
66.39056	0.5
69.56548	3.0
78.95920	7.6
95.34151	0.5
96.96967	0.6
152.99606	13.7
171.00682	1.4
227.03265	2.3
245.04308	1.2
255.23322	100.0
256.23669	7.1
283.26834	0.5
347.08145	0.5
483.27362	24.1
484.27643	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	483.2733
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
63.96795	0.5
71.18183	0.6
71.18527	0.9
78.95911	16.9
95.95762	0.5
96.96975	1.3
152.99602	31.8
157.77827	0.4
171.00668	1.6
227.03236	4.9
245.04437	1.0
255.23325	100.0
256.23669	5.3
363.90707	0.5
391.22409	0.7
483.27313	52.2
484.27457	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	484.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27169	1.0
56.44997	1.0
57.03459	1.4
58.00027	1.1
58.02983	11.7
59.01394	9.3
61.98831	3.8
66.03478	1.4
67.75983	1.3
71.01385	5.0
71.03354	2.3
71.03710	1.9
72.00915	3.0
73.02967	2.9
74.02481	26.2
74.02905	1.4
81.04581	1.6
82.02996	3.1
84.04582	1.3
85.02958	5.1
85.74204	1.0
86.02482	8.8
86.06113	1.2
86.99134	1.5
87.05656	8.0
87.09335	1.1
89.02456	1.4
90.00207	2.0
93.03445	2.7
97.04083	3.1
99.00917	1.1
99.05656	22.3
101.02458	3.9
101.07232	3.5
102.05616	3.9
107.06155	2.0
108.02190	1.1
109.04088	4.8
109.07687	1.7
111.05668	1.2
113.02484	1.9
116.01795	1.6
118.34582	1.1
119.03529	1.3
120.01249	1.7
123.05669	2.7
123.08186	2.7
124.04072	2.2
125.03574	1.8
127.05158	4.7
128.03557	69.7
133.03001	1.3
135.04704	1.9
135.05638	5.5
141.06711	6.3
143.04642	87.8
145.06224	3.1
146.04607	8.2
152.03543	1.2
153.06699	4.7
160.00777	24.9
161.02419	1.9
166.09827	3.1
167.04651	6.2
167.08328	2.6
173.04590	2.2
177.03392	8.4
179.04684	16.6
181.06227	3.2
185.05615	3.5
191.05621	1.4
192.07809	1.3
197.05629	2.2
199.17476	1.0
210.08856	17.7
213.03693	1.6
228.09735	2.2
231.04404	2.0
249.14926	1.2
254.07854	28.8
272.08920	46.3
273.09238	1.8
288.06616	14.4
291.17902	1.3
292.18240	2.4
306.07684	100.0
307.07785	3.2
327.05176	2.3
328.05426	2.5
345.76157	1.1
357.05991	1.3
358.57462	1.0
424.22855	2.0
447.08984	1.4
448.09662	3.7
484.21481	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	484.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	1.0
71.94063	1.0
72.00911	3.0
73.04078	13.4
74.02482	35.4
82.06628	1.2
86.02480	2.1
87.05644	3.1
99.05652	1.4
104.03544	20.1
112.02832	1.8
126.09266	3.5
130.08763	3.9
138.09308	1.5
139.08794	3.2
141.10350	6.0
141.56204	1.1
143.11914	21.3
152.07193	3.9
153.10327	4.6
153.76740	1.2
155.11914	21.9
169.09851	9.1
171.11406	2.1
173.12956	3.4
187.10864	5.9
194.13109	1.0
200.14049	31.7
200.24538	1.1
212.14047	13.9
217.12044	1.2
226.21777	42.0
227.22124	2.6
229.47879	1.1
230.15146	3.7
266.21301	2.5
270.20651	2.7
283.23947	7.8
302.09305	1.1
379.29694	2.9
397.30939	10.4
398.31030	1.4
422.33746	11.0
423.33752	1.4
440.34537	2.1
441.33847	1.6
449.22888	1.3
454.32916	49.0
455.33533	5.9
466.32959	3.6
484.33923	100.0
485.33655	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	485.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03460	8.0
58.00605	1.1
59.01389	35.8
61.98838	15.9
71.01390	18.2
71.55956	2.0
72.99304	4.4
73.02975	3.4
75.00878	18.1
81.03449	1.3
83.01383	2.3
84.02176	2.4
84.43199	1.0
85.02962	76.8
87.00876	9.9
88.04021	1.5
89.02451	5.3
93.03466	7.2
95.01402	6.2
95.05025	2.8
96.96025	2.2
99.00919	9.0
101.02441	4.5
101.06095	92.9
102.06451	1.5
103.00367	2.9
107.05048	1.5
108.02175	1.9
108.18273	1.3
109.02934	1.5
111.00850	2.5
111.04543	1.4
113.02467	26.5
115.00387	2.0
116.92790	1.7
117.01939	2.4
121.02996	2.0
123.04545	10.5
128.03494	1.4
129.01970	7.2
133.02971	19.9
134.03743	2.8
135.04536	2.8
137.02457	3.3
147.03024	9.2
149.02492	1.4
151.04021	4.4
152.19872	1.3
155.03442	2.1
159.07780	2.0
161.02443	2.3
173.00900	1.3
173.04547	9.5
173.05913	1.9
174.04884	1.8
175.02545	3.2
179.03519	2.4
191.02005	18.5
191.05617	6.3
231.04961	1.8
231.10300	1.5
249.06148	13.3
257.08438	1.6
267.07019	1.9
275.09271	2.1
327.05139	4.3
333.11981	4.5
339.43271	1.5
351.13007	100.0
352.13174	7.9
447.09500	3.4
468.21695	1.3
485.16711	58.6
486.16907	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	485.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53822	0.5
55.01844	0.7
57.03443	2.0
59.01387	4.0
61.70994	0.5
67.01900	0.9
67.74830	0.5
68.20073	0.6
70.72858	0.7
70.73172	1.2
71.01393	1.8
78.95903	4.8
79.95750	2.0
85.02959	15.7
87.00869	1.8
93.03471	5.7
96.96022	100.0
96.96922	8.4
98.95644	0.8
108.02174	1.0
108.84635	0.7
109.02925	0.7
111.00892	1.2
111.04538	2.1
116.92844	0.7
127.03997	0.8
129.01985	1.7
134.03770	3.1
136.01680	0.9
137.02443	1.2
147.03012	2.9
147.04471	0.5
149.06116	0.6
152.01210	0.9
155.03479	1.5
161.02385	1.1
173.01016	0.8
173.04558	16.3
175.03969	1.2
176.04787	6.1
177.05603	0.5
177.09196	7.3
187.07660	2.7
190.06438	1.2
191.02017	5.1
191.05620	19.4
192.05858	0.9
202.06372	0.9
205.08708	10.3
209.03038	2.0
229.08946	0.6
231.10333	2.6
233.08411	1.0
249.11308	12.5
249.13719	1.0
267.12448	5.1
293.10309	2.0
311.11389	1.4
467.15765	5.2
485.16953	11.0
486.17108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	80.1
61.98828	34.8
66.99313	12.2
69.72787	53.1
69.73197	25.6
71.01399	26.8
85.02963	100.0
89.02445	13.9
91.21819	12.1
96.96017	27.7
98.20621	25.9
111.04580	15.9
113.02461	17.7
151.26933	14.2
161.02399	14.5
173.04536	26.5
180.04698	13.8
191.05745	19.9
198.83795	11.6
213.14993	55.5
221.79607	15.2
253.09355	15.8
327.05231	25.4
415.73798	13.1
447.09262	15.9
485.21680	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83901	3.1
59.01387	100.0
61.98823	8.8
63.96393	2.9
71.01382	21.1
71.55854	2.7
73.02954	4.4
85.02953	19.2
87.00861	4.7
89.02430	9.6
93.03453	10.0
96.96009	6.9
99.00882	6.4
101.02436	8.3
111.96391	3.2
113.02441	9.0
137.02509	4.4
161.04559	4.1
173.04576	21.7
187.30635	3.1
191.05591	6.2
246.99652	3.0
327.05103	12.2
328.05859	3.7
393.49567	4.2
419.44275	4.0
447.09094	7.1
466.46356	3.4
485.31668	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	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28348	1.1
56.26415	1.3
57.03438	3.4
59.01389	12.5
60.72527	1.1
61.98830	1.5
64.33118	1.2
67.01881	4.3
68.99809	2.2
70.10778	3.9
70.11183	2.0
71.01395	9.6
72.31947	1.1
72.99319	9.1
73.02953	12.2
75.00877	14.5
75.94535	1.0
78.76496	1.2
78.95910	2.6
83.01378	3.6
85.02956	24.5
85.27898	1.3
87.00879	6.6
87.41046	1.4
89.02450	2.2
93.03429	1.3
95.01378	3.6
96.96018	2.5
97.06614	1.4
98.88953	1.3
99.00926	7.7
101.02449	2.2
111.00896	100.0
112.01251	2.0
113.01716	1.6
113.02457	17.1
115.00393	1.3
115.90195	1.1
117.01955	2.9
129.01939	5.1
154.99881	13.3
173.00926	36.3
175.02437	2.8
201.42149	1.2
217.15961	1.6
231.05093	3.3
235.17053	51.2
236.17322	2.9
249.03815	1.7
249.06184	22.2
311.22202	1.4
327.05365	1.5
467.22488	2.3
485.23853	64.8
485.28839	3.1
486.24380	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	485.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	0.5
59.01374	2.0
61.98838	0.6
67.01896	2.7
71.45576	0.6
72.98940	0.6
72.99321	6.0
77.44244	0.5
83.01397	2.5
85.02959	8.2
97.54266	0.5
98.35902	0.6
99.00877	1.3
101.02461	1.9
111.00896	100.0
112.01227	1.9
115.92048	0.5
129.01973	2.4
133.39087	0.5
137.15625	0.6
154.99890	13.8
160.84253	0.5
173.00934	44.4
174.01303	1.1
219.52829	0.5
263.89197	0.6
267.16205	0.6
300.25156	0.6
311.22452	0.9
423.48282	0.6
485.23938	1.1
485.33173	1.3
485.39050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3288
Annotation	Geumonoid
Peak:m/z	Relative Intensity
56.45784	0.4
68.87157	0.4
69.46577	1.7
69.46983	1.5
71.01390	0.9
78.95921	1.6
85.06599	38.3
86.06911	0.7
89.50372	0.4
94.61124	0.5
95.05061	1.1
95.10374	0.4
96.96069	0.6
97.06605	3.3
107.90481	0.5
146.90942	0.5
151.11426	0.5
152.99625	1.9
153.99901	0.7
155.00047	0.9
162.96870	0.5
188.91911	0.4
194.54788	0.5
255.23315	4.8
256.23611	3.5
257.23883	5.4
327.23279	6.5
343.26410	7.4
344.26822	0.9
383.29700	0.8
387.25583	1.4
399.32693	17.7
400.33115	1.9
423.32852	2.1
441.33896	4.7
442.34201	0.7
443.31570	0.5
485.32889	100.0
486.33136	13.0
486.39752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3294
Annotation	Geumonoid
Peak:m/z	Relative Intensity
59.01384	0.7
70.16057	1.9
70.16482	0.9
74.23324	0.5
78.77135	0.5
78.95924	2.3
79.56899	0.5
84.72204	0.5
85.06598	35.4
95.05038	1.6
96.96048	0.9
97.06601	5.0
98.20636	0.7
131.65759	0.5
134.96945	0.4
152.99580	1.8
155.00070	0.8
175.72499	0.5
191.14409	3.2
205.16023	1.4
219.17575	2.2
233.19136	0.6
251.70547	0.6
255.23270	4.4
256.23630	4.2
257.23929	6.1
327.23309	6.1
343.26443	6.9
344.26810	0.8
355.26575	1.8
383.29346	1.2
399.32706	26.5
400.33060	3.0
423.32553	2.6
441.33765	5.2
442.34695	0.8
485.32907	100.0
486.33203	12.9
486.39771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.4
59.01108	1.6
59.01383	20.6
61.98838	4.0
67.45522	1.3
69.45351	1.3
69.52164	1.4
69.52498	9.9
71.01383	12.9
73.02946	3.7
85.02966	28.7
86.03302	5.9
87.00878	5.8
89.02467	6.3
92.05064	4.9
93.03482	3.2
96.95995	1.6
99.00898	3.0
101.02460	7.5
108.02164	1.5
112.71060	1.6
113.02435	4.1
114.98118	1.3
116.05063	2.4
117.03444	4.4
118.02979	5.1
119.03519	2.2
120.04522	3.1
121.02986	1.5
128.05124	1.4
129.01920	2.3
131.03839	2.0
132.02209	15.2
132.04581	9.4
133.02946	5.5
134.03760	67.8
135.04520	4.8
136.01656	3.0
137.02425	5.5
144.04572	9.7
146.02487	31.1
147.03302	29.4
147.04507	4.3
148.04146	8.4
148.05190	2.7
149.06099	10.3
151.04118	1.6
153.05469	1.4
158.03717	2.8
158.06029	1.5
160.01697	53.6
160.04042	58.8
161.02371	3.0
161.04451	3.7
172.04085	2.9
173.04512	6.5
173.05890	1.6
174.05605	8.2
175.04021	75.5
176.04799	13.2
177.01945	1.8
178.02748	8.7
179.02168	3.2
179.03603	1.6
181.20935	1.3
186.05569	2.8
186.91002	1.4
191.02065	7.6
191.05687	2.9
191.07146	15.3
192.02350	3.9
192.04228	3.3
193.05087	100.0
194.05415	3.3
202.05086	11.9
207.06636	6.3
214.05115	4.5
220.03723	1.9
235.06155	31.0
236.06531	1.8
265.07129	8.1
292.08292	4.8
295.08209	5.0
310.09348	52.1
311.09665	2.8
324.10956	3.7
337.09326	1.7
472.43375	1.5
486.14078	70.4
487.14240	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	486.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11569	0.4
59.01389	0.5
60.38028	0.4
70.12428	0.9
70.12817	0.6
80.12643	0.4
81.59615	0.4
83.05045	3.2
88.04055	53.5
89.04352	0.5
93.55219	0.4
147.08185	2.3
149.09718	2.2
161.09749	1.2
162.10463	0.5
163.11305	3.1
187.11319	3.4
210.73068	0.4
216.39140	0.5
256.23657	0.9
258.23978	0.4
265.12369	0.8
279.13977	1.1
280.14716	1.3
307.16885	0.7
309.22186	2.4
313.25284	0.5
322.19330	0.4
329.28259	0.5
337.21768	100.0
338.22083	9.2
368.12439	0.5
382.13300	0.4
382.27475	0.5
389.88245	0.5
443.35748	0.9
486.26953	11.7
486.33301	3.9
487.27710	1.0
487.34265	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95454	3.2
57.03455	4.0
59.01387	100.0
67.40157	2.6
67.79316	3.2
69.74720	14.7
71.01385	22.9
72.99272	2.6
73.02952	4.4
78.95904	4.1
79.95728	4.3
80.96532	18.1
83.01376	2.9
85.02955	22.8
87.00890	7.7
89.02454	10.7
93.03471	8.6
94.98091	6.0
95.85419	2.2
96.96018	31.9
96.96980	9.8
99.92626	4.9
101.02479	13.6
109.02939	5.7
113.02480	10.1
115.92110	9.6
116.92873	24.4
117.92869	4.1
118.98139	3.7
119.03500	4.4
120.10749	2.5
121.02931	4.6
124.44012	2.7
125.02438	6.6
131.03554	3.2
133.02972	4.1
134.03741	11.3
135.04520	5.7
137.20621	2.5
141.05630	2.7
141.39990	2.6
148.01678	3.6
149.02441	6.4
149.06178	3.9
151.04050	3.1
152.01213	4.4
153.09204	3.5
160.01711	3.6
161.04539	4.8
163.04005	6.3
164.04745	3.0
164.98637	4.3
173.04601	16.4
175.04057	8.4
176.04810	4.3
177.01945	3.5
179.03520	3.6
190.02786	6.4
191.03517	4.2
191.05637	15.7
191.07156	5.0
193.05130	7.0
205.05119	5.4
205.12302	3.7
219.94743	3.0
223.06165	5.6
225.00761	5.0
235.06100	10.3
251.12900	8.8
299.04663	4.1
311.09760	3.9
327.05014	8.6
328.05463	6.6
329.05676	26.0
339.05142	4.1
359.06775	8.1
367.17480	6.8
383.13489	10.5
385.18817	3.7
401.14236	7.1
427.19586	3.5
443.10147	3.6
449.09857	27.6
451.09525	3.2
487.14725	59.2
487.34439	7.7
488.14838	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.1
58.00597	1.2
58.52905	1.1
58.54870	1.1
59.01388	21.9
66.13227	1.2
69.53097	8.9
71.01389	17.7
72.99316	1.6
81.76928	1.2
83.01387	1.9
85.02951	8.3
87.00870	1.7
89.02450	15.7
93.03459	3.4
96.96019	8.4
98.19888	1.7
101.02466	7.7
108.02154	2.6
109.02991	1.9
110.00101	1.4
111.00893	11.5
113.02467	6.0
116.92870	1.4
117.03474	1.2
118.45440	1.5
119.03515	6.4
119.05037	4.2
123.04491	1.3
131.03413	1.7
133.02965	2.0
134.03751	19.8
135.04532	4.3
137.02431	1.7
145.02934	3.1
147.04520	1.3
148.01675	8.2
148.05330	2.2
149.02420	1.2
149.06093	14.0
153.05675	1.4
158.03709	2.6
161.02455	2.2
161.04561	3.1
163.04059	13.4
163.50587	1.0
164.04771	3.6
170.64000	1.3
173.04622	6.2
173.05963	1.6
175.04042	14.7
176.04771	17.5
176.99991	1.2
177.05536	2.3
179.03482	2.2
179.05580	5.2
179.06999	1.5
187.03987	1.4
188.04655	1.9
190.02733	3.4
191.01993	1.2
191.03802	1.4
191.05580	6.3
191.07153	20.0
192.05923	1.6
193.05022	4.7
203.03516	2.5
203.07138	1.7
205.05063	3.6
207.06587	1.9
208.03564	1.5
218.05809	2.0
220.03751	4.4
232.03749	1.7
233.04523	1.4
235.06140	100.0
236.06429	5.1
245.08194	4.5
247.06097	6.9
265.06790	1.3
277.07376	1.6
289.07272	1.9
307.08279	10.8
327.92615	1.5
373.24005	1.2
409.00574	1.1
409.51563	1.2
425.14401	2.3
448.96930	1.3
469.13565	2.6
487.14163	4.6
488.11569	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	487.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35176	1.2
59.01376	2.5
70.71379	2.3
71.01385	3.0
73.02968	1.2
74.02486	1.5
81.90550	1.0
82.02989	1.6
84.04570	3.7
85.02956	2.8
86.96478	1.1
89.02447	2.5
93.03435	1.2
93.07258	1.1
98.02451	1.1
101.02442	5.5
101.07220	2.5
102.05624	3.8
109.04087	3.3
121.26379	1.0
124.00699	1.0
125.03583	3.3
127.05154	21.1
127.24742	1.1
128.03537	8.9
134.03755	2.6
145.01457	10.3
145.06207	100.0
146.04630	10.8
146.06522	2.3
160.98170	1.1
171.27647	1.0
173.04601	2.7
179.05638	1.4
191.05602	3.1
193.05087	4.3
209.03065	3.0
231.84735	1.1
341.10931	5.4
367.10315	3.2
487.16223	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	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01382	3.8
62.87169	0.6
67.03014	0.7
69.36615	1.2
69.37025	3.0
71.01382	3.4
74.02489	0.9
82.02997	1.3
84.04565	2.8
85.02964	4.5
87.00902	0.8
89.02451	2.5
93.03470	2.4
98.02477	0.9
101.02454	1.0
101.07223	1.6
102.05589	0.9
107.02505	0.7
109.04073	3.8
111.00876	0.7
112.38252	0.6
113.02477	1.5
115.00410	1.1
115.04034	0.7
119.03508	0.9
119.05049	2.4
120.01303	1.1
125.03577	3.4
127.04253	0.7
127.05157	18.8
128.03551	7.5
133.01469	3.4
134.03746	5.9
145.05190	4.2
145.06203	100.0
146.04659	0.9
146.06526	1.8
149.06053	1.0
161.04593	0.6
163.04018	2.2
173.04562	8.7
179.05594	2.1
191.02042	1.7
191.05617	9.4
193.05049	6.5
204.33636	0.6
209.03049	9.1
209.17523	0.6
236.31918	0.6
273.85202	0.6
341.10959	7.0
342.11221	0.8
367.10370	6.5
371.06323	1.1
419.89359	0.6
487.14993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03463	2.3
59.01388	78.9
69.42063	2.8
69.42471	7.9
71.01385	16.5
72.99309	2.3
73.02948	8.6
75.10261	1.3
83.01411	2.2
85.02956	11.2
86.03307	1.3
87.00903	1.4
89.02457	6.8
93.03466	4.4
95.01392	1.6
96.96033	11.1
96.96969	2.7
97.02972	1.6
98.19936	2.5
101.02455	11.7
102.69268	1.3
108.02145	1.6
109.02956	2.4
111.00888	2.5
113.02456	7.1
116.92889	1.6
118.98119	1.6
119.01407	5.5
119.03479	2.9
121.02974	3.9
122.04705	1.4
134.03769	3.7
135.04495	5.0
136.01619	1.3
136.05226	1.2
138.06870	3.8
139.07693	1.3
147.00864	6.3
149.02454	16.4
151.07648	5.3
152.01167	4.0
152.08458	6.8
153.09235	27.0
161.04579	3.9
163.04056	4.0
164.04826	13.2
173.04549	5.4
175.00377	31.9
175.01801	2.4
176.01028	1.6
176.65076	1.4
179.07140	2.5
189.01921	1.8
190.02740	91.5
191.03227	4.8
191.05600	5.1
193.05031	1.8
205.05070	100.0
205.12354	11.0
206.05478	4.9
208.03827	1.6
209.04614	1.5
223.06131	25.3
223.13394	7.9
224.06503	1.5
235.50772	1.4
265.07196	2.6
265.14490	1.4
269.04550	3.1
281.08832	4.1
315.11765	1.3
317.01886	1.6
367.17810	8.9
385.18539	3.2
427.19629	10.2
472.16037	1.8
487.18311	93.7
487.33810	3.9
488.18643	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	487.3431
Annotation	Madasiatic acid
Peak:m/z	Relative Intensity
59.01380	1.1
61.28696	0.5
61.98823	0.9
71.55652	1.0
75.41015	0.5
90.75092	0.5
116.49613	0.5
125.38017	0.5
135.08180	1.4
146.91161	0.5
175.11290	0.5
273.22311	0.7
377.24814	3.2
383.33194	9.8
384.33832	0.9
393.27924	5.4
399.36694	0.8
409.31131	17.2
410.24689	3.5
410.31500	1.8
425.34277	27.9
426.34726	3.7
429.33835	2.1
443.35504	6.3
469.33392	2.3
487.34399	100.0
488.34595	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	487.3436
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.00404	1.0
71.19401	1.9
74.43729	1.0
85.06596	17.9
87.04533	3.5
87.99586	1.1
96.36758	0.9
103.23846	1.0
106.84258	0.9
111.04450	1.1
113.73702	0.9
198.21449	1.0
204.29703	1.0
221.08247	7.8
222.08824	1.4
399.36349	13.4
400.36609	2.5
425.34421	5.5
426.34763	1.1
429.26440	12.9
443.35339	100.0
444.35660	12.9
487.34888	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	488.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
59.01387	12.3
67.01891	4.1
71.01381	21.3
71.55640	2.7
71.56013	2.9
72.99310	4.9
83.05034	2.8
84.86635	2.4
85.02956	43.7
87.00877	7.0
89.02474	7.1
90.20354	2.3
93.03467	23.5
102.05606	9.1
109.02929	2.8
109.04091	3.3
111.00876	2.8
111.04512	7.3
115.00385	4.1
117.03477	4.6
117.98299	2.7
120.01279	13.7
120.99654	8.1
127.05116	6.4
128.03554	10.1
129.01949	6.3
133.01393	4.7
134.03758	77.8
135.04501	3.6
137.02441	4.8
145.06203	36.4
146.04626	31.1
146.06546	16.2
146.07959	2.1
147.02995	15.2
149.06102	12.3
155.03485	5.8
161.64055	2.5
173.04573	100.0
191.01984	17.1
191.05630	83.4
191.07387	4.2
193.05063	92.0
194.05402	3.7
209.03043	86.7
298.76923	2.2
341.10815	6.0
367.10339	72.2
371.06100	5.5
436.84421	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	488.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63263	1.3
59.01377	3.3
61.98839	100.0
62.98537	1.1
70.48286	2.3
70.48676	2.6
78.95927	6.4
81.82916	1.1
96.95969	1.2
98.20362	1.9
101.59407	1.0
114.97675	1.0
129.30954	1.1
131.20746	1.0
138.93849	0.9
152.99615	11.9
177.81587	1.1
195.30893	1.1
253.21744	3.3
277.21808	1.2
279.82800	1.1
431.22061	2.6
488.35416	9.1
489.18268	1.7
489.31064	3.4
489.36932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68653	0.2
57.03443	0.6
58.47459	0.2
58.99608	0.8
59.01385	22.6
61.98829	0.7
63.02393	1.7
65.00313	1.2
68.99802	0.2
69.46598	1.4
69.46998	0.6
71.61308	0.3
72.99297	0.3
73.02941	0.8
74.02473	0.5
75.00892	0.2
83.01382	2.0
85.02961	1.9
87.00874	1.0
89.02451	0.8
93.03445	0.6
96.95990	0.4
99.00858	0.5
101.02428	1.5
101.06116	0.3
102.98619	3.9
105.03478	0.4
107.01404	3.1
108.02142	0.2
109.02938	0.8
113.02459	1.1
118.98072	0.2
121.02975	1.0
125.02460	0.6
129.01952	0.5
132.02194	0.3
133.02972	5.9
134.03787	1.8
135.04530	1.2
137.02455	0.3
141.73767	0.2
145.02960	0.3
145.34193	0.2
147.00934	0.2
147.04463	0.5
148.01709	0.6
149.02463	2.3
149.99557	0.2
151.00389	6.6
151.03995	0.4
161.02455	0.7
161.04539	0.9
164.04762	0.6
165.04027	0.8
166.05154	0.3
169.01436	0.3
173.02484	0.3
173.04575	0.8
174.03131	0.3
175.04019	2.2
177.01947	0.5
179.03560	0.6
179.05644	0.3
183.04546	0.6
184.05194	0.5
185.06042	0.6
187.03923	0.4
188.04713	0.5
189.07083	0.3
190.02704	0.9
191.03575	0.3
191.05638	1.2
195.04636	0.3
199.04002	2.0
200.04787	1.1
201.01939	0.6
205.05058	1.2
206.05823	0.2
211.04054	1.6
212.04774	0.5
213.02043	0.3
213.05554	0.5
214.02696	0.3
215.03545	0.4
216.04333	0.4
217.05081	0.9
223.06027	1.3
227.03500	2.8
227.06895	0.5
229.05025	0.3
239.03490	0.9
241.05098	0.6
243.03127	0.6
255.02994	1.7
256.03772	5.7
257.04303	0.6
261.05518	0.6
265.07193	0.4
267.02814	0.6
269.04630	0.3
283.02420	1.0
283.05124	1.9
284.03275	80.9
285.04037	100.0
286.04401	5.3
297.04120	0.9
297.07587	0.4
325.09564	0.4
327.04779	1.3
369.19086	0.3
369.23071	0.4
384.27612	0.5
387.20392	0.4
411.13113	0.5
428.26559	0.5
429.08215	0.4
429.21344	0.3
447.09433	0.4
447.26022	0.3
471.37424	0.3
489.10406	93.8
490.10739	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	489.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.5
59.01396	8.1
67.01889	2.6
69.28858	11.6
71.01391	31.5
72.99319	8.1
73.31393	1.1
84.22479	1.1
85.02950	8.1
87.00880	10.7
89.02467	2.8
93.03471	25.3
93.04027	2.1
101.02487	1.4
109.02939	2.0
111.00906	4.0
111.04571	6.6
113.02455	2.9
115.00405	6.9
117.03485	4.5
119.03545	1.2
119.05096	2.8
120.01234	1.7
120.99661	22.4
127.04053	1.5
128.79671	1.2
129.01945	4.0
134.02733	2.7
134.03758	49.8
135.04190	2.8
137.02475	5.1
147.03018	27.0
147.06694	1.4
147.59492	1.1
149.06137	7.4
152.01212	1.6
155.03520	6.0
165.05531	1.2
173.04565	100.0
174.04930	4.1
179.03522	3.0
179.05620	1.8
191.05621	77.2
192.05910	2.2
193.05061	57.4
194.05417	5.2
209.03055	4.4
341.10986	7.3
353.08707	1.4
367.10352	60.2
368.10739	8.2
489.14508	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	489.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15094	0.5
57.03444	0.6
59.01383	2.2
60.58864	0.6
67.01890	2.9
69.03453	1.2
71.01428	1.2
81.03462	0.9
83.05030	1.2
85.02953	4.3
87.00877	1.9
93.02867	1.2
93.03465	21.4
100.05812	0.6
108.02217	0.7
109.02945	1.4
111.00865	0.9
111.04534	4.5
117.03486	1.2
119.05017	0.9
120.99668	16.6
127.04034	1.6
134.03755	22.8
134.75497	0.7
135.04655	0.9
137.02457	3.2
149.06111	2.8
155.03500	3.9
165.05635	1.2
173.04564	100.0
174.04921	3.0
191.05626	56.7
193.05074	24.6
195.06671	1.1
204.19919	0.7
211.07788	1.5
237.09285	1.7
240.11205	0.8
265.08765	0.7
297.63730	0.7
320.41589	0.7
336.37350	0.7
367.10358	44.5
368.10648	3.6
489.15363	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	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.8
57.03455	2.5
58.00587	0.6
59.01386	14.6
61.98834	1.1
64.12732	0.3
67.01876	0.9
68.99834	1.4
69.03452	1.1
71.01006	0.7
71.01388	12.9
71.55457	0.4
72.99319	3.9
73.02956	2.1
75.00880	14.2
81.03455	0.5
83.01402	1.3
83.05036	0.5
85.02957	17.5
86.03305	0.4
87.00884	5.5
89.02454	3.1
90.77615	0.4
91.04034	0.7
91.05549	0.9
93.03460	2.2
95.01389	5.2
96.96049	0.5
99.00890	9.8
101.02441	1.7
103.00358	1.3
109.02947	0.9
111.00900	1.2
111.04540	0.5
113.02459	20.0
115.00386	1.4
115.04023	0.4
117.01984	2.6
117.03477	5.5
121.02966	74.2
122.03304	1.8
129.01970	1.3
134.03720	0.6
135.04530	1.1
148.08763	0.4
157.01430	0.5
161.04587	0.4
173.04504	0.4
175.02495	1.9
175.03888	0.4
181.06567	0.9
189.04092	0.6
191.05647	0.6
196.66148	0.3
201.27666	0.4
213.11429	0.5
215.08206	2.5
225.05722	0.5
231.05109	4.6
239.14717	0.5
239.85960	0.4
241.06213	3.7
249.06160	40.1
250.06491	1.5
269.09286	1.0
285.12506	4.7
310.33817	0.4
311.07907	0.5
312.02762	0.5
315.12589	0.9
327.05182	2.7
327.21762	1.2
353.09015	2.2
364.06000	0.4
367.10431	0.9
371.09842	100.0
372.10223	7.1
447.25632	0.5
489.13977	5.5
489.18604	0.6
489.27524	1.3
490.14197	0.7
503.24182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
58.00611	0.7
59.01389	10.3
61.98822	1.3
63.80274	0.6
69.64799	2.5
69.65208	1.7
71.01389	9.9
72.10752	0.6
73.02958	2.7
83.01417	1.3
85.02969	3.3
87.00902	0.8
89.02457	6.3
91.01896	1.4
93.03442	1.0
99.00880	1.8
101.02460	6.3
113.02461	3.1
119.01410	5.2
119.03505	2.5
121.02947	4.8
121.05090	4.1
134.03787	0.9
135.04529	2.0
137.02452	1.1
144.78265	0.9
147.00888	4.0
147.04555	2.3
149.02457	22.1
149.04385	0.9
150.02974	0.8
152.01161	1.7
161.04628	0.9
162.03242	0.8
163.04021	2.3
164.04811	23.8
175.00378	33.3
176.00746	1.4
179.03665	0.7
179.07108	3.7
189.02005	1.1
190.02728	90.0
191.03172	4.2
191.05666	1.4
193.01373	1.0
205.05072	100.0
206.05428	4.6
208.03793	1.4
209.04660	1.7
221.08284	1.1
223.06123	46.9
224.06517	2.2
265.07187	5.4
298.05191	1.1
325.09674	0.8
367.10483	0.9
474.13742	1.7
489.16159	98.2
490.16476	8.5
495.24872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
59.01387	13.1
61.70129	0.8
63.23528	0.8
63.37600	0.9
69.78832	1.9
69.79229	4.2
71.01388	10.5
72.99330	1.0
73.02946	1.9
85.02937	2.5
87.00874	2.2
89.02455	9.3
93.23747	0.7
98.16242	0.8
98.19939	1.2
101.02474	7.7
113.02439	2.7
117.03453	3.2
119.03582	1.6
131.03528	1.0
132.02173	16.5
133.03001	1.9
134.03760	50.3
135.04185	1.5
137.02502	1.1
147.04550	2.6
148.05359	0.9
149.06131	5.9
150.03217	1.0
151.06133	5.0
160.01680	83.1
161.02098	1.6
164.04900	1.1
165.05568	1.3
175.04022	100.0
176.04761	7.5
178.02690	1.5
179.05621	1.0
190.02690	1.9
191.05600	1.4
191.07138	9.6
193.05078	70.1
194.05386	2.4
205.05046	2.4
207.06641	2.9
209.40082	0.8
220.03801	1.1
223.06145	1.3
235.06133	25.8
236.06439	1.5
265.07211	3.6
295.07980	5.8
337.09250	2.8
355.10275	1.5
369.06213	1.6
489.16193	94.4
490.16452	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91430	0.8
57.03452	0.9
59.01385	14.7
59.10780	0.8
60.23628	0.8
60.89818	0.9
61.98836	0.9
69.50913	1.5
69.51328	4.4
71.01392	9.3
73.02956	1.5
77.60581	0.7
83.01372	0.9
85.02965	3.0
87.00886	1.8
89.02451	5.7
91.01900	1.3
93.03472	2.3
96.96022	2.0
101.02482	6.4
109.02949	0.8
113.02478	3.3
114.01029	0.7
115.00381	0.8
116.31188	0.8
119.01405	6.1
119.03582	1.5
121.02970	3.6
121.05074	3.0
125.77933	0.7
134.03748	0.8
135.04521	1.7
147.00912	5.8
147.04532	1.9
149.02461	19.1
152.01151	1.3
161.04578	0.8
163.04057	1.9
164.04808	19.2
165.01826	1.4
165.05090	0.9
175.00377	31.1
176.00781	2.2
179.07138	2.1
189.01950	1.4
190.02737	85.1
191.03220	4.5
191.05580	1.1
191.65273	0.9
193.01462	1.3
205.05074	100.0
206.05423	5.2
207.02994	0.9
208.03795	2.0
209.04463	1.2
210.73656	0.8
221.08279	2.1
223.06140	41.8
224.06438	1.6
260.90497	0.7
265.07248	8.6
274.77573	0.9
283.10443	1.1
295.08347	1.2
325.09326	1.4
367.10373	1.9
474.13931	0.9
489.16180	80.3
490.16644	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	489.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88229	10.6
57.03442	13.7
59.01386	82.6
59.07671	11.4
61.98834	14.3
71.01397	23.1
71.55795	16.0
72.99342	9.5
78.95896	15.9
85.06595	10.5
88.21083	9.1
89.02442	27.9
90.12842	10.5
96.96019	27.1
97.02952	19.9
101.02441	16.9
113.11376	10.3
137.09636	12.3
142.82925	10.5
169.91803	9.2
179.05678	11.4
233.50511	11.6
248.84340	11.5
269.07114	25.2
291.16553	12.8
291.19705	100.0
407.17429	41.5
489.32559	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57075	1.7
55.01888	2.1
55.72845	1.7
56.06578	1.6
57.03440	4.5
57.85974	1.6
59.01387	54.1
59.63620	1.5
61.98840	3.8
70.53172	1.8
71.01387	29.7
71.05001	2.8
71.56399	2.7
72.99294	6.2
73.02938	6.1
75.00880	15.4
83.01366	4.6
83.05040	3.0
85.02958	21.8
87.00861	6.7
89.02455	9.5
93.03445	4.2
95.01372	5.9
96.96020	2.3
97.02894	2.4
99.00848	8.0
101.01790	1.6
101.02434	6.9
108.98214	1.7
109.02939	2.8
113.02475	25.7
117.01938	2.7
121.02930	2.4
128.70399	1.7
134.03712	2.8
135.04536	3.5
137.02435	2.7
146.08258	2.7
151.49104	1.6
159.04553	1.9
160.01685	2.5
163.03937	2.6
171.10295	2.2
173.04436	5.1
175.02457	2.2
176.04695	1.7
179.03473	2.6
181.12360	18.3
183.13766	1.7
190.02681	3.6
191.05553	5.5
201.11293	2.8
205.04994	3.8
217.08633	3.1
221.15439	2.6
239.16533	38.5
240.16852	2.6
240.81685	2.1
249.06155	19.9
267.07098	3.9
277.12415	2.5
309.20786	2.3
327.21738	3.8
337.09268	2.7
365.13794	4.5
383.09970	1.8
471.22400	3.3
489.23254	100.0
490.23886	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	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61422	0.6
55.01882	1.1
57.03451	1.6
58.99608	0.7
59.01386	100.0
60.01744	0.7
61.98844	1.6
69.03470	1.3
69.36739	3.6
69.37149	1.2
71.01389	13.4
72.99335	1.4
73.02944	4.1
73.13982	0.5
73.88977	0.5
75.00896	1.0
81.03481	0.5
83.01405	2.2
83.05057	1.1
85.02962	9.0
87.00885	8.4
87.01371	0.7
89.02461	3.0
93.03479	1.6
95.01429	1.0
96.96006	0.6
97.02989	1.0
97.06644	0.5
98.19855	1.2
99.00877	3.2
101.02451	9.6
102.98621	3.5
108.02217	0.9
109.02982	0.9
111.00876	0.7
111.04559	0.9
113.02461	9.9
117.31848	0.5
119.03547	0.7
121.03001	0.8
123.04543	2.9
125.02497	1.1
125.06136	2.3
131.03613	0.8
135.04585	1.5
137.02533	0.6
141.05626	1.7
143.03546	2.4
147.00974	0.6
149.02463	1.4
149.04630	0.6
151.04041	0.7
159.03009	0.9
161.04524	3.5
164.04803	1.2
169.05183	0.6
171.10272	2.7
173.04582	2.2
177.42264	0.7
178.06955	0.6
179.03571	0.8
190.02782	1.7
191.05676	2.0
205.05103	2.0
211.13412	0.8
221.08281	0.8
223.06210	2.0
229.14525	0.7
233.06708	0.6
234.77032	0.6
239.16458	0.7
241.21754	0.7
265.07343	1.2
285.12558	0.9
295.08279	0.7
315.18332	1.6
325.09360	1.0
327.21802	6.0
337.14456	0.6
411.13345	1.1
422.98203	0.6
429.21127	7.7
447.22195	8.5
489.11151	0.8
489.27234	8.5
490.27484	1.2
490.34244	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03448	2.3
58.00579	0.9
59.01385	34.0
61.29465	0.6
61.98831	2.3
70.67984	0.6
70.68309	1.5
71.01391	21.4
72.99297	2.1
73.02958	5.5
75.00868	1.0
80.16048	0.7
80.63350	0.6
83.01392	4.3
85.02966	12.9
87.00878	2.2
89.02458	5.7
93.03452	2.4
95.01395	2.0
95.86839	0.7
95.95996	0.6
97.02985	0.9
97.06606	2.3
99.00874	2.7
101.02455	14.5
106.19418	0.6
108.04561	0.8
111.00883	1.5
111.04561	1.1
112.98569	0.8
113.02452	8.5
119.03522	1.9
121.02980	2.6
125.09737	1.2
127.11278	2.2
129.01945	1.3
134.03705	1.2
135.04495	1.2
137.02449	0.8
155.10797	4.9
159.03033	1.3
161.02455	0.7
161.04567	2.9
165.12856	1.3
171.10294	9.5
173.04553	3.0
179.03465	1.0
179.10867	0.8
179.14513	0.9
181.12297	1.0
183.13922	1.5
185.11879	0.6
191.05589	3.6
196.18362	0.7
197.11795	0.8
209.11868	1.8
211.13409	11.1
213.15012	1.0
223.13362	1.3
229.14452	25.0
230.14752	1.1
239.12852	0.7
240.74980	0.7
241.21542	0.9
255.06696	0.8
271.22751	0.8
285.59702	0.7
291.19617	6.3
309.20715	4.4
311.22369	2.3
315.12628	1.0
327.21829	9.9
328.22217	0.8
391.19763	3.1
403.27722	0.7
427.18820	0.7
489.27097	100.0
490.27319	8.7
490.33951	10.6
502.10767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98820	1.2
70.01414	0.8
70.01711	3.1
71.05044	0.7
78.95918	1.0
83.05035	6.4
85.06597	30.3
90.91035	0.7
94.52897	0.7
137.33549	0.7
190.44331	0.6
297.22366	1.5
313.25430	6.4
315.26862	0.9
325.25491	1.5
329.28571	3.8
341.28455	2.6
359.33334	3.7
401.37927	1.0
401.94711	0.8
409.34711	1.3
411.32684	8.8
412.33041	1.0
415.32346	1.8
427.35831	18.6
428.36212	2.2
445.36935	9.5
446.37265	1.3
489.35944	100.0
490.36270	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
57.03450	1.6
57.97428	0.4
59.01397	2.3
70.12419	1.1
70.12804	1.0
71.05029	1.4
75.77306	0.4
78.95915	0.6
79.05156	0.5
85.02953	0.5
85.06620	0.6
87.04524	37.8
88.04845	0.6
91.96161	0.4
103.63764	0.4
108.14907	0.5
111.08168	0.5
115.47575	0.5
122.82641	0.4
126.27511	0.5
131.03517	1.3
135.12059	0.4
139.11281	0.6
141.46533	0.5
341.28540	0.8
357.31680	7.3
358.31940	0.6
383.29623	2.2
401.30603	32.1
402.30920	3.3
409.34824	1.2
419.31592	1.7
427.35883	11.4
428.36026	1.3
445.37073	4.5
446.37134	0.5
459.34882	0.8
489.35922	100.0
490.36285	12.4
490.42938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
58.11232	0.5
59.01382	12.9
61.98833	0.8
65.00329	2.1
69.33083	2.7
69.33493	1.7
71.01381	2.4
73.02937	0.7
74.02458	0.8
74.99100	1.8
83.01381	1.5
85.02966	1.2
87.17956	0.5
98.20591	0.9
101.02435	1.5
107.01410	3.2
113.02467	0.7
116.03622	0.7
118.98094	1.9
120.99646	0.6
125.02456	1.1
127.12742	0.6
134.94128	0.6
135.04532	14.1
137.02434	0.7
146.76450	0.5
151.00372	19.2
157.12636	0.6
160.01648	1.3
161.02411	1.4
161.06064	0.6
173.04526	1.3
191.05640	1.9
198.03235	2.2
200.01152	1.0
202.02687	3.6
203.03459	0.5
210.10213	0.5
214.02724	1.9
226.02750	7.2
227.03435	1.8
229.01434	0.6
242.02184	6.0
243.02948	1.7
257.04608	1.2
265.72662	0.5
267.24951	0.5
268.03903	1.0
269.04678	0.8
269.07413	0.6
270.01709	22.8
271.02380	4.6
274.01178	1.1
281.04596	3.6
282.05353	4.9
283.05859	0.7
284.03336	2.8
285.04068	60.3
286.04501	2.9
287.05630	15.7
288.05920	1.4
290.17432	0.5
297.04138	1.7
298.05005	0.7
299.02054	11.8
299.05594	1.8
300.02646	0.7
309.04092	3.7
309.07166	0.6
310.04669	0.8
311.05469	1.3
313.03555	100.0
314.04224	19.5
315.04861	2.1
327.05072	8.4
328.05887	45.1
329.06659	72.1
330.07037	3.8
343.04309	0.8
371.07822	4.7
389.21918	0.8
461.07318	2.2
476.09805	1.6
491.11978	98.0
492.12292	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	491.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76143	0.6
57.87690	0.6
59.01366	1.1
69.44239	4.4
87.86437	0.5
92.31451	0.6
98.20568	1.2
108.02196	3.3
109.02953	2.4
138.16364	0.5
152.01183	5.1
153.01956	3.1
160.01677	2.6
161.02509	3.0
175.03999	2.3
198.03250	2.0
199.03975	1.2
202.02780	1.2
203.03477	0.8
214.02618	1.4
215.03542	0.9
226.02718	9.1
227.03539	4.9
242.02213	2.3
243.02995	11.9
253.01527	2.0
270.01740	9.3
271.02472	15.9
272.02921	0.8
280.16504	0.6
284.03317	2.2
285.04062	15.1
286.04437	1.8
299.02014	15.2
300.02548	1.6
312.02887	1.4
313.03583	34.8
314.04257	7.1
315.07498	0.8
327.05219	1.5
328.02377	1.0
328.05844	5.8
329.06671	4.5
330.06262	0.6
343.04602	4.0
386.07516	0.6
397.54657	0.6
461.07327	20.3
462.07486	1.8
476.09595	15.4
477.09937	1.3
491.11990	100.0
492.12384	9.3
499.79382	0.6
516.57129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
62.44595	0.3
63.02413	0.7
65.00341	1.2
71.01395	2.1
71.03458	0.5
71.03770	0.4
78.98325	0.3
83.01392	0.7
85.02975	0.9
86.36329	0.4
89.02460	1.6
93.03477	0.6
101.02467	1.2
105.20975	0.3
107.01418	1.4
111.21465	0.3
113.02440	1.5
119.03545	0.6
120.01175	0.3
133.02965	0.4
135.04501	1.0
135.98370	0.5
149.02458	2.1
151.00365	4.8
161.02440	1.3
161.04614	0.9
163.04109	0.5
164.04773	0.9
173.04637	0.9
177.05542	0.6
179.03383	0.5
179.05695	0.3
183.04620	0.5
189.01813	0.4
191.05605	0.8
198.03210	0.4
199.04065	1.9
203.03490	0.9
213.02003	0.4
215.03532	0.6
221.04561	0.5
226.02759	1.5
227.03500	4.0
229.01453	0.5
231.03023	0.7
241.05078	0.9
243.02986	4.4
243.06552	0.4
255.03033	3.1
269.04715	0.7
270.01721	1.3
270.05411	0.5
271.02490	24.1
272.02960	1.4
283.02466	0.4
284.03284	0.8
285.04086	3.8
285.07352	0.8
286.04666	0.6
297.04044	0.7
299.01996	48.6
300.02585	4.6
300.06161	0.7
313.03564	6.2
314.04349	41.7
315.04868	3.9
327.04742	0.8
328.05905	1.6
329.06683	100.0
330.07053	6.3
371.03616	0.4
371.07443	2.1
431.22736	0.7
455.22910	0.5
461.07034	2.1
476.09818	1.2
491.11984	93.8
492.12228	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	491.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06050	0.6
52.73023	0.6
57.03470	0.9
59.01387	100.0
60.01711	1.0
61.98839	1.7
64.21459	0.6
70.28236	1.3
70.28632	1.8
71.01396	1.7
73.02944	0.7
85.02950	1.5
88.98832	1.7
89.02461	0.7
93.03487	0.8
95.01391	1.8
98.19991	0.8
100.54745	0.6
101.02466	1.6
101.15533	0.6
108.02180	4.4
111.72195	0.8
121.02997	0.8
136.01663	6.2
137.02475	1.3
138.54240	0.7
144.94115	0.7
173.04546	0.7
209.50418	0.7
227.07166	43.6
228.07498	3.1
251.11430	0.9
271.02527	0.9
285.06314	0.7
313.03674	1.0
333.57938	0.8
349.19815	1.4
374.46719	0.7
421.37973	0.8
491.12253	2.2
491.28531	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
64.46561	0.6
65.33739	0.5
71.01393	5.5
71.55493	0.6
73.02950	4.1
75.00845	0.6
87.00887	2.4
89.02454	27.2
101.02436	0.8
103.04015	3.6
131.03500	5.1
139.32640	0.5
149.04572	100.0
150.04933	2.5
248.86589	0.5
266.03531	0.5
279.72552	0.5
396.90656	0.6
491.31705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71861	0.6
59.01376	2.2
69.45740	4.3
71.01385	6.4
73.02950	4.3
85.02973	1.0
87.00902	2.2
88.12207	0.6
89.02456	26.1
89.35796	0.6
102.63252	1.0
103.04036	2.6
115.93943	0.7
131.03520	5.0
147.02969	0.8
149.04572	100.0
150.04901	2.1
175.98235	0.7
177.05574	0.6
191.05580	1.4
337.72272	0.7
350.26126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.03807	1.2
59.01386	99.2
61.98835	5.5
62.50975	1.1
69.26814	1.8
69.27219	8.3
70.07159	0.9
71.01389	14.7
72.99306	1.2
73.02942	8.2
74.02483	2.2
74.99100	2.4
75.00858	2.7
81.03453	2.5
83.01385	2.3
85.02971	7.6
87.00844	1.2
89.02434	5.7
93.03474	2.9
96.96022	1.7
98.20641	2.2
99.00879	1.4
99.04528	85.1
100.04851	1.7
101.02454	21.9
106.04250	1.1
109.02948	2.6
113.02462	5.1
116.03533	1.1
118.98096	14.3
119.03532	2.1
121.02982	1.6
123.04515	2.3
125.02465	32.5
131.03496	1.0
134.03716	1.9
135.04533	3.8
137.02477	1.1
137.87901	1.0
143.03502	3.0
152.01147	1.3
153.01923	2.5
161.02519	1.8
161.04509	3.5
173.04549	3.0
175.03952	1.7
177.01880	1.1
179.03496	2.4
187.11510	1.1
190.02736	1.6
191.05644	5.0
205.05035	2.2
226.02727	2.3
243.02861	1.4
270.01587	1.6
271.02469	3.6
285.04016	3.1
299.01828	2.8
313.03687	7.7
314.04425	1.1
328.06015	1.9
329.06628	3.2
353.08850	1.1
431.22171	2.4
431.27008	2.0
449.27682	2.4
461.07486	2.1
476.09561	2.3
491.11908	14.2
491.29245	10.6
492.11990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03447	2.3
59.01389	49.5
60.01729	1.4
60.50909	0.9
61.06251	0.9
61.98835	4.9
65.00337	1.2
71.01393	16.4
71.55888	1.0
72.99334	1.9
73.02960	4.1
74.02486	3.5
74.99113	2.5
75.00872	1.1
83.01400	2.8
85.02961	11.5
87.00901	3.1
87.04549	1.5
88.98816	1.4
89.02454	11.4
93.03484	5.9
93.70782	0.9
95.01396	1.4
99.00957	1.4
99.04514	1.5
101.02466	11.5
102.98611	1.3
107.01411	1.4
108.02206	3.0
109.02963	2.7
111.00870	1.4
111.04553	1.1
113.02443	8.2
116.03555	1.8
118.98129	1.9
119.03495	4.8
120.99679	51.7
121.02985	6.5
122.03774	2.3
123.04527	1.4
124.01632	1.3
125.02475	2.4
131.42653	0.9
133.03020	1.3
134.03773	2.1
135.04535	13.0
135.08031	1.0
137.02455	3.4
143.03514	1.3
145.02989	3.0
147.04556	4.7
149.02499	2.9
149.04449	1.2
149.06093	1.3
150.03241	7.8
151.00389	9.0
151.03922	1.2
152.01147	4.4
153.05611	1.5
158.03740	3.5
159.04532	13.6
160.01663	2.8
160.05324	34.0
161.02518	2.1
161.04604	3.7
161.06090	10.9
162.03300	1.0
163.04051	7.1
164.04837	6.5
173.04565	10.3
173.06087	4.4
175.00392	1.7
175.04074	2.6
175.07669	29.3
176.04837	1.0
177.05618	8.5
178.06358	8.2
179.03519	2.4
179.05588	1.8
190.02744	1.3
190.88974	1.0
191.02007	1.1
191.03854	1.0
191.05586	6.5
193.05110	1.3
193.08734	3.4
205.05110	2.6
227.03477	1.1
243.03050	1.1
271.02481	5.2
285.04108	7.0
286.04144	1.4
287.05655	6.5
299.02048	7.9
313.03656	11.2
314.04401	5.8
314.77728	1.0
324.69370	1.1
327.05048	1.7
328.05914	6.2
329.07019	14.3
329.13965	100.0
330.14340	8.5
341.64133	1.0
370.23401	1.6
371.07767	13.8
372.08151	1.7
379.42154	0.9
385.27652	1.6
429.27359	2.2
431.22809	5.1
461.07269	2.9
476.09915	1.7
491.11743	29.8
491.23462	2.5
492.12183	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	491.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03336	0.3
57.03450	0.7
59.01387	8.4
61.98837	0.7
66.69163	0.3
71.01385	3.0
71.58488	0.4
72.93890	0.3
73.02952	1.1
74.99108	2.1
75.00880	0.5
78.95889	0.4
81.03471	0.5
83.01382	0.4
85.02956	1.8
87.00889	0.7
89.02457	1.0
91.66533	0.3
93.03473	0.9
95.01402	0.7
99.00874	0.3
101.02458	1.9
102.98650	0.4
108.02191	19.7
109.02973	8.3
113.02470	0.9
116.03503	0.4
117.03545	0.4
118.98112	1.6
119.03548	0.6
120.99669	100.0
122.00011	0.8
123.04545	0.6
132.02190	2.5
133.02992	2.1
134.03767	2.7
135.00922	0.3
135.04546	2.9
136.99182	1.7
137.02431	0.8
146.25504	0.3
151.00354	0.5
151.04016	0.6
152.01167	24.3
153.01956	7.2
160.01669	10.6
161.02458	7.2
161.04509	0.6
162.02866	0.3
163.04050	0.5
165.02023	0.3
165.04048	1.0
173.04541	0.8
175.04005	7.9
176.04312	0.4
177.01813	0.3
177.05695	0.3
178.02704	0.3
179.03525	1.8
191.05611	1.5
193.05107	1.6
205.05104	0.5
285.03903	0.5
287.05353	0.5
313.03607	0.4
315.07272	5.7
316.07697	0.3
323.07755	1.3
337.09341	0.5
429.26746	0.3
431.26492	1.2
447.12930	1.4
449.27484	1.6
459.09372	0.4
473.27631	0.4
491.11972	36.4
492.12476	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	491.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99608	0.6
59.01389	11.3
59.01691	0.6
61.98827	1.2
63.39199	0.3
69.25932	2.7
71.01395	2.2
72.97550	1.0
73.02952	0.8
74.99120	0.4
83.74981	0.3
85.02962	1.2
89.02479	1.2
93.03473	0.7
99.72561	0.3
101.02461	1.2
102.98615	0.7
113.02463	0.9
118.98109	0.4
120.01266	0.9
120.99671	100.0
122.00010	1.3
124.88934	0.3
135.04514	0.9
135.98375	0.4
161.04588	0.7
164.04681	0.3
173.04597	0.8
191.05656	1.0
271.06335	0.4
283.05014	1.0
287.09329	0.4
313.03653	0.8
329.06522	0.5
371.20786	0.6
431.22867	1.0
491.11972	0.6
491.19467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06008	4.3
50.29595	4.7
55.88895	4.7
59.01390	24.7
61.98839	6.9
69.44291	7.6
69.44695	25.4
71.01393	4.3
78.95923	5.7
87.04501	4.8
90.46278	5.0
93.03470	10.5
96.96037	11.5
98.61685	3.9
121.10236	7.6
125.09734	5.5
135.04562	5.0
137.02658	4.4
171.10297	18.1
173.04547	12.3
174.45497	5.4
178.52370	5.0
180.43697	4.3
215.22824	4.6
220.14586	5.3
264.10693	5.0
275.20166	35.2
293.21271	100.0
294.21625	6.1
305.31992	4.6
315.93491	5.1
317.13437	5.3
331.63028	5.0
344.16470	4.9
389.30640	5.0
491.12018	15.3
491.25006	9.0
491.30185	6.1
491.35406	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2669
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01373	0.9
61.98824	0.3
63.17379	0.3
66.03498	1.2
71.02510	3.6
71.56345	0.3
73.04076	0.3
82.01724	1.0
83.02480	0.3
91.05544	0.5
91.97823	0.2
96.96001	0.8
97.00448	0.7
98.01232	0.8
99.02020	0.8
100.07683	0.4
102.03550	0.2
110.03609	1.7
111.02004	1.0
113.07228	0.6
115.07980	0.6
115.08785	11.5
116.05051	1.6
118.06638	5.0
118.79156	0.2
125.07220	3.6
126.05641	2.0
127.08829	0.2
131.05020	0.3
141.06700	4.8
141.69690	0.2
143.08295	0.3
146.06133	10.0
147.06413	0.3
149.54561	0.3
152.08296	1.1
153.06688	1.3
153.09114	0.5
155.08179	0.3
157.05321	0.5
157.07570	0.2
157.81808	0.3
163.08771	1.0
164.09579	0.4
167.11923	0.3
167.20364	0.2
168.07759	0.9
169.13487	0.6
170.09381	3.3
171.10278	0.2
173.07199	0.8
174.05643	0.9
177.91757	0.2
179.11922	4.5
189.06619	0.4
194.12936	0.8
196.14584	0.9
196.71091	0.2
197.08134	0.3
197.12994	1.0
200.10883	1.5
201.06711	0.4
202.12346	0.7
203.08417	0.2
212.14079	0.3
214.15625	4.4
216.07841	0.6
217.13551	1.2
222.12497	0.8
227.11931	2.7
228.10251	2.2
230.49663	0.3
236.00177	0.3
240.07823	1.3
240.13481	0.7
244.14548	0.7
245.12926	3.3
248.10757	0.8
251.15158	0.4
262.15619	3.6
269.16202	1.2
276.10184	0.6
283.13214	0.4
283.18127	0.4
293.21271	1.2
299.17743	0.8
308.37988	0.3
310.15771	0.4
313.03616	0.3
316.20221	0.3
326.18741	5.5
327.18954	0.4
344.19760	2.5
473.25531	0.5
491.26657	100.0
492.26962	11.5
493.03656	0.3
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
50.04133	0.2
55.01880	0.4
57.03441	0.3
59.01385	4.7
59.01682	0.2
61.98822	0.2
63.77321	0.2
71.01009	0.2
71.01393	3.9
71.56412	0.2
72.99325	0.4
73.02966	0.9
78.95916	0.8
83.01387	0.3
85.02952	0.9
87.00887	0.6
89.02461	3.4
89.39344	0.2
90.38306	0.2
91.04015	0.2
92.67543	0.2
95.01418	0.4
96.96031	0.4
99.00907	0.2
101.02461	4.1
113.02460	1.6
113.06077	0.2
119.03481	0.8
125.02506	0.2
129.01930	0.2
131.03503	0.3
133.05048	0.3
137.18033	0.2
143.03441	0.4
152.99619	1.0
157.04971	0.2
161.04567	1.5
179.05620	0.4
180.77039	0.2
206.73853	0.2
235.08261	1.5
253.09315	12.6
254.09668	0.3
255.23312	100.0
256.23663	5.6
279.23267	0.3
442.53979	0.2
491.34140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.338
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
57.03437	1.3
59.01390	3.0
71.56408	1.1
76.55445	1.0
78.95908	5.4
80.76814	1.1
85.02962	1.2
87.04523	54.3
96.96011	2.1
97.05178	1.0
108.51043	1.1
152.99594	11.9
166.68176	1.0
239.16411	1.1
279.23163	1.2
313.25378	5.0
329.28506	3.4
347.29520	3.6
359.29605	2.3
433.24014	1.5
444.51334	1.1
447.34875	4.8
473.32422	2.2
491.33823	100.0
492.34177	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	491.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30263	0.8
60.60905	0.7
69.67258	2.3
69.67672	2.3
75.59215	0.8
76.26004	0.7
78.95911	0.9
79.95750	3.5
79.96158	0.7
90.66975	0.7
96.26392	0.7
96.96022	100.0
97.24567	0.7
120.67353	0.8
131.52992	0.8
172.00386	0.8
255.23363	2.8
317.79263	0.7
411.38477	15.6
412.38974	1.6
419.35272	0.9
429.50952	0.8
483.48767	1.0
491.34207	68.3
492.34579	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	493.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01876	3.3
57.03448	10.9
59.01388	100.0
61.98842	81.5
67.01898	3.7
69.03452	4.5
71.01392	46.6
71.56761	2.7
72.99323	11.4
73.02962	19.1
74.02486	9.4
74.99114	7.3
75.00870	5.0
78.35787	3.4
79.98190	3.1
83.01408	7.7
85.02957	34.9
87.00887	11.7
89.02443	28.0
90.98615	12.9
93.03476	13.9
95.01408	6.8
96.95987	2.9
97.02934	5.0
99.00893	8.9
101.02464	39.2
105.51498	3.3
108.02208	6.3
109.02965	4.4
111.00872	7.8
113.02461	27.2
116.03544	4.4
118.98112	13.4
119.03533	9.6
120.99675	49.6
124.01736	3.1
125.02460	87.5
129.01947	5.8
134.03751	5.4
135.04512	9.1
137.02455	13.9
143.03493	4.3
145.03033	4.4
149.02426	7.4
152.01158	4.6
159.03044	3.6
161.02394	5.5
161.04541	15.0
165.01822	4.2
173.04552	11.7
176.48080	2.8
177.01830	3.4
179.03520	8.0
184.02255	2.8
185.90964	2.9
190.02766	10.7
191.05623	9.5
193.05043	3.3
205.05077	5.4
209.03094	6.1
223.06136	4.9
287.07785	13.6
315.04044	6.1
327.05283	4.6
331.17511	5.2
331.24756	9.3
354.83063	2.8
363.20248	4.1
367.10300	10.1
431.10181	6.3
433.24344	12.9
463.07394	3.7
493.12634	30.6
493.24255	18.8
493.30179	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	493.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41221	2.2
54.81380	2.1
57.03448	2.9
59.01389	100.0
61.98832	10.3
69.03456	2.4
70.16771	8.3
70.46169	2.1
71.01394	36.9
72.99329	4.2
73.02956	8.7
73.51125	2.2
74.02486	11.6
74.99129	4.1
75.00870	2.6
83.01405	6.0
85.02955	20.1
87.00893	4.8
89.02463	38.8
93.03462	5.8
96.96036	4.6
97.25885	2.2
99.00916	2.5
101.02460	26.2
108.02171	4.3
109.02947	3.2
113.02464	14.4
116.03539	6.1
118.98116	4.7
119.03551	14.8
119.05025	2.3
120.99680	4.3
123.04518	2.2
124.01657	2.6
125.02458	9.5
133.02936	2.7
133.17473	2.2
135.04515	7.6
137.02458	7.0
142.15332	2.3
143.03487	5.2
148.05280	7.2
149.02422	3.3
149.04570	5.2
149.39977	2.4
149.99602	4.8
151.00383	3.6
153.01987	2.7
161.04559	9.8
163.07674	4.7
165.01985	3.9
168.00667	6.3
173.04517	5.3
179.05627	10.7
191.05618	7.7
203.89301	2.5
208.67673	2.4
274.04895	4.8
277.12976	6.2
289.06995	6.0
293.08841	4.8
314.03983	3.0
314.99707	6.2
315.04077	4.2
316.00534	8.5
329.06357	2.6
330.06583	3.8
331.02887	9.2
331.07162	3.8
331.25104	4.7
373.09268	3.2
373.22168	3.1
431.09265	2.8
433.24258	11.1
449.29321	3.0
462.16751	2.7
493.12744	9.9
493.23196	4.6
493.30887	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	493.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19507	0.7
57.03452	1.1
59.01391	12.7
61.98832	1.3
65.00328	0.7
67.01912	1.1
69.03486	0.7
71.01397	12.7
71.56431	1.3
72.99338	0.9
73.02975	1.7
74.02499	0.7
74.99110	1.0
81.03448	0.8
83.01389	1.4
85.02973	3.3
87.00883	2.3
89.00349	1.7
89.02454	8.8
91.01907	0.9
93.03481	1.2
95.01404	1.7
96.96008	1.1
99.00887	0.7
101.02460	8.3
106.00663	1.9
109.02993	1.4
111.00910	2.3
113.02488	1.9
119.03519	2.3
120.99693	5.2
121.02972	32.5
123.00901	4.2
125.02438	1.1
127.00421	2.1
131.03525	1.2
133.05078	1.4
134.03775	0.8
135.04543	1.1
136.98839	1.0
137.02449	5.6
137.99608	1.3
138.03230	2.8
139.00420	1.4
139.04042	3.7
140.07162	4.2
141.01927	0.8
151.06146	4.4
153.02051	1.3
153.05597	28.6
154.05986	1.0
154.99910	1.1
155.03477	0.8
161.04549	1.0
165.01973	1.1
166.99911	2.0
173.04559	2.0
179.03532	1.0
180.04344	1.3
181.01459	8.0
182.02205	9.1
183.02917	3.3
191.05611	1.7
196.03764	5.2
197.04576	100.0
198.04924	2.7
209.08145	1.2
211.06151	6.8
224.03285	6.5
225.04018	1.7
225.06035	2.1
225.12994	0.7
226.06334	0.9
239.05638	37.9
240.05965	2.5
241.08675	0.8
243.06950	0.9
269.06693	3.8
281.06519	0.8
299.07791	12.0
341.08875	3.3
359.09854	1.6
413.41656	0.9
478.13492	0.8
493.15643	88.1
494.16071	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	493.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04756	6.4
59.01382	54.7
59.47853	6.2
61.98824	13.9
68.13219	6.1
69.03477	8.1
69.32136	14.6
69.32542	36.4
71.01391	66.6
72.99342	6.1
75.00858	8.0
78.95909	20.7
84.98588	6.1
85.02952	24.1
87.00887	8.3
89.02459	48.4
93.03432	7.7
96.96023	100.0
96.96966	26.4
98.20753	11.2
98.72775	6.4
101.02432	18.1
113.02460	11.0
116.56443	6.9
119.03500	8.5
120.68517	6.2
120.99680	21.4
121.02966	10.7
123.00912	8.3
124.01682	13.2
125.02444	23.2
131.03543	9.2
135.04437	8.5
135.49368	7.2
137.02385	10.9
149.04591	16.2
149.99562	11.0
165.96761	6.5
167.03506	13.3
168.00626	16.1
172.18173	5.7
173.04601	9.7
176.99771	6.3
180.62340	6.1
197.04535	33.1
203.42184	5.7
231.55135	6.8
293.08850	30.6
300.08142	6.4
466.09970	7.4
493.12097	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	493.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19466	5.9
59.01390	58.9
61.98817	7.7
69.03432	7.9
70.75492	14.9
71.01392	64.4
72.99309	7.3
78.95907	23.3
85.02964	22.5
89.02464	66.2
89.94965	9.3
93.03429	6.6
96.96025	100.0
96.96969	33.1
97.02973	10.2
101.02451	22.9
108.28970	6.1
113.02438	19.0
116.03961	6.7
119.03499	6.5
120.99601	16.9
121.02921	11.0
121.25257	6.7
123.00923	12.9
124.01688	19.0
125.02444	32.1
131.03493	21.9
137.02481	7.9
139.03951	8.5
149.04596	13.5
151.73868	6.1
167.03491	10.3
168.00674	14.7
173.29852	6.2
183.02927	8.4
191.05603	25.7
197.04536	27.7
221.03838	7.3
233.06700	12.2
239.05573	13.6
293.08838	35.3
431.84250	6.7
433.13641	10.5
464.72949	7.0
469.25101	9.6
493.10974	18.7
493.16299	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03460	3.4
58.00594	3.6
59.01384	100.0
59.97347	0.7
61.98833	5.7
69.85410	3.1
71.01389	65.2
72.01736	1.2
72.99316	4.9
73.02950	4.9
74.02496	2.0
83.01408	4.3
85.02955	15.7
86.25372	0.7
87.00879	3.9
89.02454	71.7
93.03468	6.2
95.01391	5.3
98.19981	1.2
99.00923	2.0
99.04526	1.7
101.02456	43.0
103.00426	0.8
105.01878	0.8
111.00895	0.9
113.02459	29.4
113.13336	0.9
117.53061	0.7
119.03515	36.5
119.04956	1.4
120.03831	0.8
120.99671	8.4
121.02979	0.9
122.03801	1.4
125.02467	1.9
129.01959	1.2
131.03502	3.8
134.03723	5.2
135.04530	2.9
137.02461	10.1
137.03421	0.9
143.03471	5.9
147.57733	0.7
149.04602	2.7
149.06076	2.8
150.03200	0.9
151.04102	0.9
152.04782	2.3
159.02960	0.8
161.02408	1.0
161.04572	6.7
165.05534	0.9
167.07213	1.4
173.04576	1.4
179.03372	1.7
179.05629	14.5
179.07190	0.8
191.05611	1.9
193.05107	1.0
195.06641	1.0
195.58160	0.8
221.06610	0.9
230.85255	0.8
281.06744	9.8
294.08929	1.1
301.20151	1.0
309.11395	2.2
331.17627	3.2
341.08914	0.9
349.19000	1.2
354.75946	0.8
419.13541	0.9
431.13336	6.4
433.24329	1.7
449.14584	2.9
493.12756	1.8
493.22992	39.1
494.23792	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	493.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83324	4.8
53.91618	3.7
59.01382	10.9
61.98859	5.8
69.33009	38.7
76.42207	4.7
79.95741	4.2
80.96513	5.1
96.96009	14.7
98.20612	6.2
108.33695	4.5
135.40700	4.3
146.29126	4.7
162.06822	7.3
171.10300	13.9
209.11798	7.2
277.21722	14.9
295.22821	100.0
296.23059	9.1
298.21841	4.8
311.22418	10.0
493.26215	14.1
493.35730	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	493.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62718	1.6
55.01876	1.6
57.03458	9.0
58.00609	2.6
59.01387	100.0
61.00630	1.4
61.29774	1.4
61.98846	14.7
63.96238	4.4
69.29819	13.8
71.01392	63.6
72.99308	7.2
73.02949	8.1
73.98297	1.7
74.02469	3.3
74.99094	9.3
75.00873	1.9
83.01394	3.0
85.02966	17.6
87.00895	6.4
87.04549	2.0
87.06768	1.5
89.02454	68.6
93.03463	4.5
95.01377	2.8
96.96013	6.1
98.20661	3.4
99.00872	3.1
99.04523	5.7
101.02452	31.1
107.01379	3.0
108.02193	3.4
109.02951	3.4
109.48969	1.6
111.00941	2.6
113.02467	22.1
117.97322	3.1
118.98101	6.8
119.03513	26.9
120.99676	9.2
121.03007	2.4
123.04469	2.3
125.02451	4.3
131.03529	3.0
133.02971	2.4
134.03764	3.3
135.04558	11.9
135.98361	8.5
136.04868	3.6
136.99181	9.1
137.02429	9.9
137.05098	1.9
139.70346	1.8
143.03497	6.3
145.02864	1.6
149.04575	1.9
150.05605	2.6
151.00357	11.1
151.06018	1.7
152.00917	5.9
153.00865	1.8
154.02589	1.8
155.03590	2.4
160.01637	1.9
161.02440	6.0
161.04562	12.4
163.04051	1.7
165.02054	3.3
167.03539	1.8
173.04553	3.8
175.03983	2.0
179.03452	2.3
179.04016	2.5
179.05608	24.1
181.04951	1.8
183.10268	2.9
190.99936	1.5
191.05573	3.2
195.06606	3.1
213.16982	1.9
219.03256	2.1
267.08896	1.9
271.19006	2.0
287.05621	4.9
288.05978	4.1
289.06216	8.0
433.24323	9.6
493.12308	9.7
493.23407	10.0
494.57724	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
56.38757	0.5
57.03459	1.3
59.01106	0.9
59.01386	12.8
61.98829	2.9
69.56792	1.4
69.57207	3.2
71.01388	9.2
71.84460	0.5
72.99313	1.0
73.02962	3.8
73.37467	0.5
78.95926	0.6
79.00860	0.5
83.01400	3.0
85.02961	6.3
87.00858	1.4
89.02467	2.2
93.03477	0.9
96.96018	0.7
97.10564	0.6
99.00900	1.3
99.04486	0.8
101.02453	9.3
111.00877	1.1
113.02454	3.8
119.03516	1.1
121.02943	0.9
125.02447	1.0
129.01987	0.7
133.03012	0.7
149.99593	0.7
154.01433	1.6
155.01761	0.7
161.02473	0.6
163.84518	0.6
168.00711	0.8
173.04539	0.9
174.71381	0.5
199.07617	0.7
209.11867	1.2
267.23276	0.8
285.24344	1.8
307.19110	1.4
313.24039	1.6
325.20123	0.8
331.24881	5.1
427.15198	1.0
449.32846	0.9
461.14429	0.9
475.29477	1.1
493.30231	100.0
494.23776	1.4
494.30569	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	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23128	22.0
61.98840	22.7
71.97871	24.2
96.96061	55.8
149.68587	21.6
167.76901	24.3
493.34827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06380	1.8
59.01386	8.9
61.98841	31.4
68.02560	1.7
71.01361	4.7
72.99320	3.2
74.02457	4.8
85.02948	3.6
89.02483	2.6
93.03483	4.2
94.46954	2.0
101.02459	2.6
107.01453	1.8
108.02179	31.1
109.02977	11.8
113.02460	2.8
116.03544	5.7
117.03473	7.6
120.99580	2.9
121.02939	5.7
122.99213	4.5
123.00853	3.9
134.03764	4.5
135.04468	2.4
137.02458	4.2
146.36282	1.7
149.02414	2.8
149.06146	2.0
152.01155	29.8
153.01970	12.1
153.05617	2.6
155.10832	2.2
161.02473	4.2
163.03984	4.8
168.00642	2.7
182.02161	2.9
183.02971	6.4
188.26759	1.9
193.05116	3.7
197.04398	3.4
211.06154	5.6
212.06506	3.4
268.03830	2.8
283.06107	46.9
311.05624	83.2
312.05933	7.0
323.05392	3.0
327.07181	6.0
341.06555	4.6
357.12967	2.7
414.43958	2.1
417.74139	2.0
431.09851	100.0
432.10165	8.2
451.12234	4.1
463.08798	4.0
494.13742	15.6
495.11487	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	495.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07508	0.3
59.01386	2.4
59.03255	0.3
61.98838	100.0
69.31232	2.6
71.01385	1.9
72.43302	0.3
73.02939	0.5
74.99135	0.4
75.00858	0.5
85.02972	1.2
87.00880	0.3
88.98828	0.4
89.02457	1.7
93.03485	0.7
96.96033	0.9
98.20565	0.7
101.02456	1.0
108.02198	1.4
109.02988	0.8
113.02495	0.7
116.85943	0.3
117.03486	0.5
119.05102	0.4
121.02948	0.3
127.07652	0.5
131.03593	0.4
133.02977	0.8
135.04524	1.2
136.07735	0.4
137.02478	1.5
138.01971	1.9
139.02344	0.8
139.56750	0.4
140.02408	0.5
145.02957	2.5
149.04556	0.5
150.03255	1.0
152.01192	1.5
153.01935	0.8
161.02464	1.1
163.04008	0.9
165.05606	1.4
173.04613	0.7
176.73981	0.3
178.37762	0.4
191.05627	0.6
205.05116	0.4
266.23590	0.3
271.11017	2.4
281.06598	1.5
315.07303	1.4
333.09229	0.4
365.04742	0.3
459.15027	2.6
477.10410	2.3
495.11133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1146
Annotation	tarocin A1
Peak:m/z	Relative Intensity
53.60695	0.5
54.77217	0.5
57.03463	0.8
59.01390	3.6
61.98847	3.4
63.47596	0.5
68.99837	0.7
69.03458	1.3
70.91927	0.5
71.01385	5.8
73.02958	1.5
74.02467	1.4
79.01898	0.8
81.03466	1.8
83.01409	1.6
85.02955	3.7
87.00900	1.1
89.02444	1.2
93.03477	1.1
95.01411	2.2
96.99323	0.6
97.02962	1.3
99.00898	0.9
101.02454	3.5
107.01402	4.0
108.02190	66.5
109.02979	28.7
110.03339	0.6
111.00906	2.5
112.98789	1.0
113.02470	1.9
114.45382	0.6
116.03561	1.5
121.02946	3.9
123.00907	7.0
123.04497	0.7
124.01755	1.3
125.02463	1.4
127.00403	2.5
135.00905	2.3
135.04549	0.9
136.98889	1.6
137.02477	4.1
138.03229	1.5
139.00406	3.1
139.04031	4.2
141.01965	0.6
151.04024	0.7
152.01173	64.7
153.01962	22.2
153.05565	2.8
154.02751	1.3
155.03485	0.5
155.10796	2.0
163.03998	1.7
165.01930	0.9
166.02715	0.7
166.99870	1.9
167.03516	1.0
168.00647	3.1
169.01411	1.4
173.04553	0.6
177.01875	0.6
179.03542	0.8
181.01486	2.5
181.05055	0.7
182.02242	5.2
183.02997	15.1
183.04590	1.1
188.83769	0.5
191.05418	0.6
195.02977	0.9
197.04573	8.9
207.03029	0.7
211.02370	0.6
211.06114	0.6
225.04085	1.5
237.04079	0.6
280.79706	0.6
284.06534	1.1
290.93808	0.6
297.06232	0.9
311.08002	0.9
312.05640	2.1
315.07254	4.7
326.06577	1.3
327.03922	0.5
327.07214	12.4
328.07541	0.5
341.08768	4.2
432.10165	2.7
451.12537	6.1
452.12860	0.5
463.08792	3.7
495.11490	100.0
496.11823	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	495.1501
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
57.03440	1.0
59.01382	10.9
61.76543	0.6
61.98816	1.0
63.96400	0.6
68.99783	0.9
69.44558	5.7
71.01388	14.6
72.99281	1.5
73.02926	2.2
74.98692	0.8
74.99091	0.7
75.00822	0.7
80.05069	8.6
83.01367	2.8
85.02955	6.4
87.00845	1.6
89.02443	8.4
92.05103	1.0
93.03465	36.7
94.03757	0.8
95.01376	2.9
96.99316	1.7
97.02929	1.1
99.00882	1.1
101.02453	12.8
107.05013	0.8
108.02132	1.7
109.02972	0.7
113.02444	5.7
119.03464	1.4
119.04974	0.9
120.02137	0.7
121.03007	3.8
122.03749	8.4
123.00835	0.9
123.04516	1.1
124.01649	1.1
124.04028	2.1
125.02470	4.0
131.03459	1.8
134.03708	1.3
134.06100	3.9
135.04541	5.5
136.01656	2.9
136.03986	1.0
137.02455	71.1
138.02863	1.1
145.10693	0.7
147.04585	0.8
149.02461	3.7
149.04497	3.1
150.03238	65.9
151.03778	3.1
153.05637	3.8
165.05582	85.2
166.05844	3.0
167.03505	1.2
168.00629	3.4
179.03491	2.5
180.04312	1.6
191.03513	1.8
191.05510	1.2
195.06587	1.0
221.04585	0.8
227.11891	2.8
235.96236	0.7
245.12730	0.9
271.10815	1.7
281.06680	100.0
282.07056	4.9
333.08945	2.4
407.18353	4.0
451.17368	2.7
495.15384	75.2
496.15903	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	495.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.1
61.98837	1.1
70.88500	1.7
71.01385	12.9
73.02939	2.2
75.00893	0.9
80.05078	3.9
83.01392	1.3
83.66969	0.7
85.02951	4.6
89.02467	4.1
93.03463	37.0
94.03791	1.1
95.01367	2.1
96.99316	1.4
97.02944	1.2
97.78458	0.7
99.00867	1.3
101.02456	10.4
108.02182	1.0
113.02478	4.7
113.42944	0.6
121.02977	3.6
122.03755	5.5
125.02406	1.0
131.03459	0.9
134.06117	1.6
135.04541	3.9
136.01668	3.3
137.02452	65.8
138.02783	1.1
147.04495	1.8
149.02457	3.5
149.04520	1.7
150.03233	59.7
151.03822	2.3
153.05609	5.4
165.05577	80.0
166.05917	2.7
167.03516	0.8
169.12662	0.7
176.94975	0.8
179.03487	2.0
180.04274	1.7
191.05696	0.7
227.11859	1.3
271.10620	0.7
281.06680	100.0
282.06958	6.9
297.09665	1.0
311.07776	1.0
333.08890	2.8
391.78571	0.8
407.17987	1.2
451.17056	1.0
495.15198	65.3
496.15771	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	495.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.0
61.98847	1.2
65.03980	0.5
71.01386	1.6
72.99302	0.4
74.02478	0.3
85.02963	1.0
86.03178	0.2
89.02478	0.6
92.39866	0.2
93.03468	43.1
94.03815	1.0
95.01380	0.4
98.20602	0.5
101.02458	0.8
108.80549	0.2
109.02995	0.3
113.02455	0.9
116.03540	0.5
117.03474	0.3
120.99583	0.2
121.02967	0.7
122.03735	0.6
123.00862	0.4
125.02435	0.3
133.02931	0.2
135.04536	0.6
137.02458	100.0
138.02792	2.5
149.02429	0.3
150.03246	8.9
153.05643	0.3
161.02438	0.9
165.04189	0.6
165.05576	9.2
166.05937	0.3
173.04578	0.6
179.03558	0.4
179.94820	0.2
191.05653	0.5
203.56244	0.2
275.18661	0.3
281.06683	5.2
309.08295	0.2
495.14313	0.5
495.26956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04556	1.5
57.03457	2.2
59.01387	50.7
61.98837	9.2
68.99825	1.7
69.76945	7.6
69.77357	3.6
71.01389	42.3
72.99326	3.1
73.02954	7.4
73.59493	1.5
79.19125	1.6
80.05068	3.2
83.01418	3.5
85.02962	10.8
87.00880	9.0
88.98832	1.8
89.02456	49.0
93.03471	36.2
95.01413	2.7
96.96041	2.1
99.00904	2.6
101.02456	34.8
107.01453	1.6
108.02175	2.0
113.02474	12.5
119.03547	4.1
121.02998	2.8
122.03016	1.7
122.03714	8.1
123.04591	2.9
125.02473	5.1
130.45941	1.5
131.03535	15.9
134.06181	2.4
135.04550	6.9
136.01691	5.4
137.02457	73.7
149.02570	2.7
149.04561	45.4
149.05693	2.7
150.03241	62.5
151.03952	2.2
152.01190	1.8
153.05621	2.8
161.04694	2.4
165.05583	94.4
166.05957	3.3
167.03528	2.1
168.00581	1.7
179.03494	2.8
181.05086	3.3
191.04166	1.5
191.05708	9.6
197.62497	1.7
236.78865	1.5
247.87946	2.1
281.06686	100.0
282.07040	3.8
293.37671	1.8
333.08975	2.0
435.18939	1.9
495.15436	65.3
495.22241	3.4
496.15866	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	496.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49830	0.2
59.01384	0.7
61.98836	100.0
69.48681	1.3
69.49087	0.4
71.01385	0.9
85.02986	0.4
87.00916	0.3
89.02466	1.1
93.03456	0.7
96.95999	1.2
101.02472	1.0
113.02473	0.3
131.03551	0.5
133.03044	0.3
135.04535	0.4
137.02457	2.7
161.04611	0.3
165.05693	0.3
168.67105	0.3
179.03506	0.8
191.05666	0.5
239.05666	0.5
299.07816	0.8
433.13409	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.7
71.40455	0.7
78.95913	63.7
90.53874	0.5
93.28699	0.5
96.96980	5.2
150.98024	1.3
152.99605	100.0
154.00024	1.2
171.00624	2.5
255.23250	3.2
261.34213	0.5
391.22485	0.6
409.23648	45.2
410.24014	3.7
433.23587	1.1
496.26825	7.6
496.33316	0.8
497.27789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.98832	0.9
63.92626	0.4
67.05508	0.3
71.01388	0.9
71.54929	0.6
72.60453	0.5
78.95914	6.4
79.95750	3.3
85.02981	0.9
89.02465	0.5
96.96023	100.0
96.96935	11.6
98.02503	0.4
101.02483	0.5
104.52840	0.4
121.02958	1.8
123.00933	0.5
130.19714	0.4
135.04503	0.5
137.02441	0.7
139.84146	0.5
179.03456	0.4
191.01985	0.5
191.05612	0.7
201.05573	0.6
230.32489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90989	0.3
55.45872	0.3
57.03438	0.5
59.01385	6.5
61.98843	2.2
69.28673	2.2
69.29099	1.3
71.01397	2.5
72.99305	0.6
73.02940	1.0
73.55733	0.3
74.09409	0.4
78.95899	0.5
83.05081	0.4
83.70712	0.4
85.02962	1.7
87.00883	1.2
89.02467	1.1
89.04010	0.5
93.03466	17.2
96.96029	0.7
99.00945	0.4
101.02447	1.3
105.24751	0.4
107.05032	0.8
107.77401	0.4
109.02966	1.3
111.00871	0.6
111.04568	0.4
113.02464	1.3
116.92886	0.5
117.03484	0.4
119.03574	0.5
119.05015	0.5
120.99660	1.4
132.02206	1.2
133.02971	21.2
134.03835	2.1
135.04538	33.5
136.04909	0.7
137.02457	22.0
138.02811	0.6
139.03998	0.4
155.03523	2.7
159.04471	0.7
161.02457	100.0
161.39326	0.4
162.02829	2.6
173.04536	2.2
179.03506	14.0
180.03862	0.6
185.06068	0.4
191.05658	1.3
193.05069	0.4
203.03696	0.4
211.07698	0.5
216.46706	0.4
229.08699	0.8
273.04022	0.6
315.41925	0.4
335.07755	29.7
336.08096	2.2
496.34222	0.6
497.10913	70.3
497.26816	1.6
498.11313	8.0
506.53647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59034	0.6
57.03437	0.9
59.01387	5.9
61.98832	2.3
63.05925	0.5
67.01916	0.6
69.19554	2.3
69.19987	3.8
71.01402	2.9
73.02964	1.7
75.00881	1.2
78.95889	0.8
81.03465	1.3
85.02967	4.0
87.04530	3.3
89.02462	0.8
89.35709	0.6
93.03468	1.8
95.01398	2.1
97.02933	1.1
101.02441	1.4
108.02187	44.8
109.02975	29.4
110.03304	0.8
113.02451	1.7
121.02916	0.6
121.06621	0.7
123.00877	0.9
125.02473	1.8
134.03735	0.8
135.04524	1.5
135.08209	0.7
137.02441	1.5
137.09746	3.8
139.07666	1.1
149.99635	0.7
151.04039	0.6
151.11269	0.8
152.01169	55.2
153.01961	22.2
154.02199	0.8
155.10793	20.1
156.11089	0.9
161.02483	0.6
163.04037	1.2
168.00652	0.9
169.12369	0.8
173.04633	3.9
179.10817	1.5
181.08699	1.1
191.05664	1.7
195.10345	0.7
199.09833	5.1
267.39203	0.7
327.08591	0.6
388.67130	0.6
453.17703	4.5
497.16678	100.0
498.17056	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	497.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38815	0.9
55.01878	1.7
59.01385	3.9
69.03462	3.5
71.01024	1.1
71.01381	6.6
87.04516	2.6
95.05040	28.8
96.96006	1.3
97.06599	71.0
99.04517	1.8
101.53093	1.0
113.02460	15.5
115.07651	12.8
123.04527	2.5
125.02463	14.4
141.04504	2.0
141.05586	32.5
141.09209	1.7
159.06664	10.5
167.03519	2.7
167.43517	1.0
185.04564	14.1
188.87437	0.8
192.78584	1.0
218.39525	1.1
229.09944	1.0
281.28537	2.5
394.79446	0.9
497.34848	100.0
498.35162	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	498.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.8
67.79018	0.6
69.44455	3.3
69.44861	1.2
72.00880	1.9
73.03688	1.1
73.04079	18.6
74.02483	42.7
78.95866	0.9
82.06608	2.2
83.02486	1.1
84.00906	0.8
84.40196	0.6
87.05643	4.4
92.52772	0.7
108.08175	1.5
112.02769	2.1
113.07172	0.7
118.05132	3.9
126.09257	3.8
130.08723	3.1
139.08801	1.3
141.10358	4.5
141.58090	0.8
143.11923	25.2
143.13052	1.2
149.99022	0.6
152.07179	8.0
152.99591	1.2
153.10332	2.2
165.10289	1.2
169.09859	6.5
169.13405	4.9
187.09500	0.8
187.10933	8.0
200.14049	43.8
201.14270	1.8
207.12837	0.7
226.15573	2.4
226.21783	37.2
227.22101	1.8
244.13011	0.8
247.49841	0.7
266.21289	2.4
270.20792	3.6
273.04733	0.7
283.23944	20.4
297.25775	0.7
303.02173	0.6
353.31647	0.8
379.29541	1.6
397.30869	6.2
410.33774	3.1
436.35651	1.3
454.32895	100.0
455.33191	8.7
498.35547	45.7
499.36285	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	499.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.2
59.01384	23.8
60.38827	1.5
60.61530	1.9
69.82536	1.7
70.02971	5.1
71.01389	33.1
72.99300	4.6
73.02956	4.8
75.00874	2.0
83.01408	3.9
85.02956	36.9
87.00885	15.7
89.02464	12.3
93.03459	7.2
96.96025	17.8
99.00884	11.6
101.02439	8.9
108.02149	2.0
109.02946	11.8
111.00892	9.5
111.04539	3.3
113.02464	10.3
114.01961	12.9
115.00384	36.3
119.04983	2.1
121.02959	3.3
125.02444	3.7
127.00359	4.5
129.01938	4.7
132.02162	2.1
133.02985	15.0
134.03745	6.5
135.04547	15.4
137.02437	5.1
139.00406	2.8
139.04083	2.1
145.02956	4.7
147.03006	2.6
147.04512	6.9
148.05310	3.9
149.02461	4.6
149.06094	54.9
151.04036	2.1
155.03529	2.7
157.01439	2.0
159.04472	4.6
161.02461	53.8
161.04552	2.5
161.06062	3.1
163.03992	5.8
165.05557	2.7
171.04474	3.1
173.01016	2.6
173.04543	14.9
173.05981	2.7
173.19342	1.7
174.03276	5.5
175.02472	59.7
175.03992	20.3
175.07712	1.7
176.04800	1.9
177.01939	20.8
177.05533	2.7
179.03496	9.0
179.05507	1.9
183.03038	2.1
185.06061	2.7
187.04028	8.6
187.07642	4.9
188.04736	2.6
189.05591	12.1
190.02715	2.0
191.02087	8.7
191.03662	3.7
191.05627	18.6
191.07205	3.3
193.05112	17.5
201.05544	3.0
203.03473	6.0
205.05038	6.6
205.08568	3.1
206.02138	3.8
209.02954	9.0
215.03568	10.3
217.05025	3.0
217.08447	1.9
219.03012	24.4
231.02954	2.7
231.06604	3.5
233.04559	24.1
234.04834	2.0
237.04062	29.5
245.04533	6.0
247.06186	4.3
249.07779	4.0
265.07068	2.8
275.05627	12.7
275.08612	2.4
276.12369	1.9
277.03549	25.4
293.06763	21.6
307.08136	5.5
319.04617	10.7
325.09439	2.7
335.07581	3.5
337.05484	100.0
338.05893	7.4
455.12180	16.6
499.10724	61.2
500.11386	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	499.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49073	1.0
55.01879	1.1
55.78335	1.3
57.03445	3.0
58.00596	1.2
58.49120	1.2
59.01385	21.0
60.47949	1.2
63.53359	1.1
63.86754	1.0
71.01007	1.7
71.01387	24.4
71.32491	1.5
72.99310	3.2
73.02942	2.5
83.01397	5.9
85.02966	17.4
87.00878	13.7
89.02448	11.1
93.03491	1.5
95.01393	3.0
96.96033	7.7
99.00878	11.1
101.02462	7.3
101.98462	1.1
109.02963	13.0
111.00867	4.0
113.02460	9.1
115.00384	40.1
115.55856	1.0
116.00758	1.1
119.03489	2.6
121.03008	2.4
123.01006	1.3
125.02422	2.5
127.00379	6.6
131.03490	1.2
132.02168	1.4
133.02962	14.9
134.03720	1.6
135.04558	7.3
137.02464	1.6
139.00449	1.6
145.02943	2.5
147.04512	5.8
148.05275	4.3
149.02458	1.5
149.06100	50.4
150.06406	2.8
153.01871	1.6
157.01425	1.5
159.04488	3.8
161.02458	61.9
161.04599	2.3
161.06108	3.6
162.02803	2.3
163.04057	6.2
165.01981	1.3
165.05557	3.3
171.04517	2.6
173.04590	2.4
173.05962	1.9
174.03204	4.9
175.02464	63.1
175.03996	20.4
177.01945	19.4
177.05542	2.5
179.03467	3.3
185.06085	2.1
187.03998	12.0
187.07698	1.5
188.04724	3.5
189.01933	1.8
189.05612	9.6
190.02701	1.7
191.01942	1.5
191.03479	4.9
191.05562	2.0
193.05058	11.5
201.05563	2.7
203.03506	7.3
203.07137	1.9
205.05034	3.7
206.02187	4.1
209.03001	2.0
213.05513	2.3
214.02408	1.2
215.03568	10.0
215.07159	1.3
217.05054	2.0
219.02989	21.5
219.06552	2.0
220.03334	1.2
231.02843	1.6
231.06625	3.6
232.03703	3.2
233.04568	22.2
234.05023	1.9
237.01740	2.2
237.04066	34.0
238.04346	2.4
245.04527	5.0
247.06200	2.6
249.07639	3.1
257.04770	1.9
275.05637	12.9
277.03552	24.8
278.04007	1.7
293.06689	17.4
294.06964	2.2
317.06705	1.6
319.04541	11.9
335.07635	3.3
337.05490	100.0
338.05801	7.0
355.06757	1.4
395.09320	1.3
455.11996	15.0
499.10934	70.7
500.11365	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	499.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.5
57.03458	4.3
59.01378	7.0
61.98832	3.9
62.32877	1.2
66.73547	1.4
70.02975	5.4
71.01070	1.3
71.01398	8.9
71.55289	1.5
71.55656	1.6
72.99297	2.8
73.02949	1.4
75.68073	1.6
78.95918	13.9
79.95753	3.7
83.01394	1.8
85.02961	40.2
87.00883	2.3
89.02469	3.2
89.38359	1.2
93.03470	7.6
96.96025	100.0
96.96940	22.8
101.02484	2.1
111.00901	4.0
114.01981	11.8
129.01973	6.0
131.03532	1.6
133.01442	2.6
134.03764	3.6
137.02451	9.9
147.02995	2.6
149.02412	1.8
150.55289	1.4
160.01663	2.1
161.04565	1.9
173.04567	8.3
187.07631	1.6
191.02028	11.3
191.03543	1.8
191.05580	6.4
193.05035	3.0
202.06326	1.5
209.03053	26.2
249.11301	2.1
265.07318	2.1
309.04333	1.4
439.20978	2.1
479.48499	1.4
499.14175	1.9
500.14105	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	499.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
55.14130	0.5
55.68477	0.5
57.03455	6.1
59.01385	10.1
61.98822	1.1
67.01902	3.1
68.99836	0.7
69.03433	0.6
71.01392	8.0
72.99316	1.1
73.02932	1.6
81.03445	1.5
83.01405	1.6
83.05033	1.3
84.02167	1.1
85.02959	44.6
86.03320	1.1
87.00864	1.3
89.02463	1.3
93.03461	21.3
94.03783	0.6
96.45426	0.6
96.96030	1.3
99.00867	0.8
101.02454	2.2
101.88705	0.6
103.00362	0.8
108.02197	0.9
109.02943	2.2
111.00894	2.4
111.04542	4.4
113.02440	1.9
119.05032	12.3
125.02456	1.2
127.03988	0.8
129.01967	4.9
133.02966	1.4
134.03716	1.3
135.04539	4.5
137.02483	5.7
146.33701	0.6
147.03000	5.7
153.01967	0.6
155.03494	4.2
161.02484	2.8
162.65161	0.6
163.04022	20.4
164.04398	1.0
173.04558	100.0
174.04871	2.7
175.04073	0.8
179.03516	3.2
191.01997	14.2
191.05600	5.0
205.03569	1.2
337.09329	46.6
338.09692	3.3
353.08884	2.6
424.07086	0.6
499.18539	0.8
499.29230	1.0
500.14276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
56.45480	1.1
57.03456	73.8
59.01389	52.2
63.72346	1.2
69.77735	6.7
71.01388	3.5
75.00893	1.3
80.96517	2.0
81.03448	1.7
82.21922	1.4
84.02177	1.9
85.02961	100.0
86.03266	1.2
87.00871	1.3
93.03470	4.6
93.71902	1.2
99.04530	53.4
99.05180	3.0
101.02444	9.6
113.02486	1.8
116.62286	1.2
117.05395	1.3
119.05028	3.0
125.02465	23.9
129.01949	7.7
134.03735	3.9
135.04507	4.6
137.02419	2.2
139.84221	1.3
143.03491	1.5
147.02954	11.1
161.04521	1.6
163.02411	1.4
166.05154	2.1
173.04585	10.3
179.03523	3.7
190.02757	1.3
191.02003	29.6
191.03824	1.0
191.05623	5.6
272.22766	1.2
296.38049	1.2
307.11819	2.7
325.12677	1.5
407.56036	1.5
499.18304	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	499.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
57.65142	1.7
59.01388	85.5
63.35659	1.6
69.29213	14.5
71.01382	2.6
74.59918	1.7
75.73739	1.7
81.03463	2.4
85.02967	27.5
86.63044	1.5
90.12524	1.7
93.18610	1.6
94.10319	1.8
99.04537	83.8
100.04857	2.0
101.02454	11.1
125.02475	35.5
129.01968	4.1
135.04539	3.0
147.03050	4.9
173.04546	5.4
175.02493	2.4
191.02014	4.2
267.24911	1.6
348.25690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03456	12.2
59.01382	14.7
61.98834	1.2
67.01900	1.6
69.03457	0.6
69.86176	1.0
69.86546	2.3
71.01389	7.7
72.99306	1.4
73.02943	1.4
75.00877	1.3
83.01373	2.4
83.05020	0.6
84.02180	2.7
85.02959	100.0
86.03265	1.6
87.00882	1.9
89.02449	2.0
93.03461	9.0
96.95992	0.8
98.20023	0.6
99.00903	0.7
99.04557	0.5
101.02438	2.7
103.00370	1.6
111.00878	3.4
111.04526	2.6
113.02449	2.2
115.00375	0.8
119.03521	0.8
119.05038	4.2
125.02456	1.2
129.01956	7.8
133.02960	1.6
134.03740	3.2
135.04550	4.9
137.02419	2.4
145.02985	0.6
147.03017	11.0
152.01086	0.6
155.03549	1.8
161.02425	2.5
163.04013	6.6
173.00983	1.0
173.04562	40.3
174.04919	1.2
178.02721	1.8
179.03502	4.6
191.01994	31.8
191.05611	5.0
192.02295	0.9
205.03525	1.5
209.02942	0.5
269.72815	0.5
337.09308	15.2
338.09726	0.8
343.52002	0.6
353.08813	4.1
354.08932	0.5
404.09616	0.5
499.13718	0.9
499.28674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	87.7
58.03793	1.7
59.01387	100.0
61.98837	2.1
65.98801	0.7
71.01393	10.8
71.58472	0.9
72.99301	0.8
73.02976	1.6
81.03477	1.9
83.01402	2.3
83.05056	0.8
85.02990	4.1
87.00885	1.6
89.02451	7.3
93.03485	1.1
96.96024	2.9
97.06598	0.8
99.04533	64.2
100.04841	1.0
101.02458	16.3
111.00915	1.2
113.02473	4.5
119.03520	3.5
119.05042	2.3
124.90479	0.8
125.02462	23.0
126.95545	0.7
129.27763	0.7
130.08760	0.8
135.04544	10.0
137.02502	3.9
143.03519	2.0
149.06049	1.2
161.02454	1.6
161.04558	3.4
163.04027	58.0
164.04335	0.9
168.00818	0.9
173.04594	1.9
178.06377	59.1
179.03502	1.6
179.06763	1.9
191.05716	1.2
193.08719	79.9
194.09052	3.3
216.16872	0.8
337.03268	0.9
460.60657	0.8
499.19012	2.3
499.29562	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.4
58.00617	0.6
59.01386	100.0
60.01731	0.7
61.98845	1.4
68.14230	0.5
70.88976	0.8
70.89327	0.8
71.01393	8.9
71.05031	0.5
71.64063	0.6
72.99322	0.9
73.02974	2.4
83.01421	1.4
85.02962	4.4
87.00893	0.8
87.62035	0.5
89.02452	7.2
93.03484	1.4
95.01407	0.9
96.96031	1.0
99.00930	0.8
99.04535	0.8
101.02450	6.8
108.02178	0.7
111.00935	0.8
113.02467	4.4
113.06104	0.7
119.03522	3.6
125.02495	0.9
129.01982	0.7
135.04643	0.9
135.08258	0.6
137.02466	0.8
143.03589	1.1
159.02963	0.5
161.02502	0.9
161.04607	2.0
163.04041	0.7
173.04625	2.3
179.05701	1.4
182.81143	0.5
187.09438	0.6
191.05664	1.4
206.95329	0.5
325.84283	0.5
356.09552	0.5
397.22028	0.7
433.77139	0.5
499.29047	3.9
505.71048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98840	1.4
85.02975	1.1
95.29507	1.1
96.96027	1.3
97.06569	1.3
177.25238	1.2
199.11909	1.4
205.15948	2.0
277.21878	2.7
310.81403	1.4
365.27005	11.6
366.26788	1.4
406.12482	1.4
416.87283	1.4
499.30759	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	500.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01375	1.8
61.98834	1.4
68.14417	0.4
69.20143	4.5
70.02983	38.4
71.01401	2.3
71.03334	0.5
85.02945	3.2
86.03271	0.7
87.00902	0.5
89.02455	1.0
93.03510	1.0
96.00357	0.4
96.00901	2.3
96.96021	0.7
101.02460	0.8
111.00866	0.6
113.02435	1.0
114.01977	100.0
115.02327	1.2
135.04483	0.7
136.44044	0.5
137.02396	0.6
138.87999	0.4
147.03160	0.4
147.04482	0.6
149.02438	5.2
163.03998	1.0
164.04810	5.8
165.05585	0.5
167.22258	0.4
173.04578	1.1
175.00435	1.1
175.03998	0.7
177.05562	0.7
179.07175	1.4
190.02705	4.2
191.01970	0.9
191.03497	1.5
191.05632	1.9
193.05305	0.6
203.07138	0.6
205.05043	5.2
206.05818	3.3
206.52277	0.5
207.02983	1.1
208.03841	1.3
209.03033	2.0
221.08234	3.9
223.06104	11.2
237.07730	0.8
247.06039	1.3
250.04846	0.9
265.07162	11.3
266.07684	0.7
294.08350	3.0
295.08279	6.5
308.85062	0.5
325.09293	10.7
326.09744	0.9
385.11368	3.7
477.31915	0.5
500.14011	10.5
500.21249	0.5
501.14648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
57.81751	0.4
69.49250	2.9
74.43717	0.4
84.04551	2.7
86.06123	22.9
87.06459	0.5
88.04044	3.1
103.15293	0.3
112.04058	42.2
113.04397	0.9
114.05618	11.5
115.08775	2.4
126.01997	0.6
129.80225	0.4
130.05115	0.5
136.16823	0.3
158.04605	100.0
159.04982	2.9
159.07767	18.3
197.16264	0.4
341.10974	0.7
410.74591	0.4
475.33258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	83.2
65.31848	0.8
69.16926	6.3
69.17331	1.4
72.99328	1.3
102.54837	0.7
102.73583	0.9
112.48026	0.8
132.98257	1.9
134.97050	1.9
157.03572	3.6
159.01532	1.6
174.95033	0.8
174.99255	22.0
176.98140	1.3
192.96150	1.3
201.02570	37.0
202.02802	2.5
215.00447	0.9
217.00316	100.0
218.00661	3.2
234.97089	0.7
250.95168	2.5
276.98288	2.9
292.96194	5.1
310.32874	0.8
334.97238	1.2
343.03635	2.5
359.01483	63.7
360.01633	5.6
376.98254	0.9
437.71164	0.8
444.16000	0.8
500.98715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20550	1.7
57.03453	2.7
57.97667	1.7
59.01387	23.2
59.35929	1.9
61.98858	2.5
67.01863	1.8
69.21141	1.8
69.56186	1.6
69.56495	13.4
71.01373	17.2
71.86656	1.9
72.99271	2.2
73.02941	2.3
81.03487	2.8
83.01413	2.8
85.02959	62.6
87.00895	4.2
89.02454	7.4
93.03451	9.0
96.96033	5.9
97.02972	2.5
98.20618	3.7
99.00879	2.5
99.04525	3.2
101.02450	8.2
107.05029	2.2
108.02177	2.1
109.02961	6.3
111.04482	1.9
113.02466	6.3
115.92088	3.2
119.01370	4.5
119.03517	2.3
121.02937	4.6
125.02439	3.4
127.04041	6.3
132.02174	1.9
133.02888	3.1
134.03773	14.1
135.04567	10.0
137.02452	6.0
145.05133	2.4
147.00851	3.1
147.04491	2.5
149.02475	24.6
149.06129	3.4
150.02986	2.1
160.01695	7.0
162.03328	2.7
163.04002	10.2
164.04802	31.8
165.05548	3.2
169.04936	1.9
173.04597	9.6
175.00359	19.8
175.03984	12.8
176.04781	3.8
177.05577	3.9
179.03539	3.7
179.07104	8.9
187.07664	3.9
190.02728	59.9
190.04391	3.7
191.03467	7.8
191.05611	14.1
191.07172	5.1
193.05051	12.0
203.07066	4.7
205.05067	49.5
206.05829	21.2
207.02992	6.8
208.03751	8.8
221.08261	23.5
223.06140	60.6
224.06433	2.0
235.06145	12.0
237.07690	10.4
237.18147	1.9
247.06126	2.2
250.04799	8.6
265.07202	100.0
266.07443	6.6
266.69431	1.8
295.08237	49.1
296.08557	2.3
325.09317	54.3
326.09616	3.5
385.11307	7.9
391.77719	2.1
427.12500	3.2
441.14166	3.2
501.16483	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	501.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.8
59.01103	6.8
59.01389	100.0
69.18758	20.2
69.19187	18.3
71.01397	17.8
71.63164	4.2
73.02955	6.3
83.01356	6.2
84.50755	4.7
85.02953	16.3
87.00886	8.7
87.84075	4.2
89.02444	13.1
91.54467	4.3
93.03443	5.1
96.00941	4.4
96.10629	4.1
96.96023	5.3
97.23210	3.9
101.02455	14.4
108.02176	7.9
113.02434	9.9
116.92863	4.7
128.40805	4.0
131.03499	8.5
135.04550	6.7
149.02441	12.3
151.04094	3.9
152.01161	5.0
153.01917	4.1
163.04068	6.9
164.04771	15.2
173.04550	9.0
179.03394	3.8
179.07159	8.3
182.31757	3.9
190.02736	6.8
191.03821	5.1
191.05641	13.6
195.22354	4.6
205.05042	9.0
206.05803	8.4
221.08214	10.1
223.06136	19.9
233.06587	4.5
265.07175	29.1
295.10355	17.8
310.49902	4.3
397.14813	8.8
415.15851	7.5
501.15271	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32590	0.5
59.01376	2.4
69.89420	2.8
70.02976	0.9
71.01385	2.2
72.04573	1.1
74.02466	1.0
83.01405	2.2
86.06123	2.8
87.05647	3.9
88.04055	21.2
89.02454	2.2
97.02959	1.3
98.06132	2.1
101.02470	1.0
112.04079	4.1
113.04380	1.0
114.05603	0.9
115.03982	0.7
115.08781	11.4
140.06201	0.6
141.01894	0.8
158.04588	8.1
159.03050	5.1
159.05099	3.2
159.07770	100.0
160.06171	2.1
160.08089	2.1
191.05670	1.3
248.69339	0.6
254.42940	0.5
339.12192	0.8
341.10938	3.1
394.05093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31771	1.6
51.23245	1.7
55.01895	2.9
56.30588	2.2
57.03450	3.9
59.01387	100.0
61.98849	16.2
64.09275	1.6
69.33566	4.6
69.33968	11.7
71.01391	40.9
72.99327	2.7
73.02959	14.5
83.01411	5.9
85.02962	19.5
87.00898	3.9
87.04513	3.0
89.02459	23.6
93.03465	5.2
94.19827	1.7
95.01392	3.4
98.20651	3.9
99.00869	2.5
101.02454	27.0
106.06671	3.8
108.02169	2.1
109.02983	2.9
111.00901	2.6
113.02464	20.7
119.03493	8.6
119.05002	2.3
121.02943	3.8
124.07702	3.4
125.02460	3.5
134.06134	29.9
135.00951	1.9
135.04564	6.1
137.02478	9.5
143.03438	2.2
153.01947	4.5
159.03072	2.4
160.01790	3.8
161.02463	3.7
161.04596	10.3
163.04030	9.8
173.04613	3.8
175.03999	4.5
178.05130	18.5
179.03453	2.7
179.05595	4.0
189.07870	1.9
191.03531	4.8
191.05569	3.6
192.06696	4.2
197.20427	1.6
203.03448	1.7
220.06184	7.3
263.07281	1.9
297.07703	3.0
301.11606	2.1
339.12787	5.7
340.10291	16.6
343.17825	2.7
351.24503	1.9
393.84512	1.7
417.12930	2.1
491.35947	2.0
501.15701	5.9
501.30826	13.5
502.30972	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2345
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
52.19056	1.7
52.75130	1.6
55.01886	1.8
57.03449	4.8
58.00590	2.6
59.01385	100.0
59.17314	1.9
61.98844	4.4
69.22915	5.2
69.23332	11.2
71.01392	53.3
71.68357	1.9
72.01714	1.9
72.16042	1.6
73.02959	15.7
75.00917	2.1
79.28996	2.0
83.01398	6.8
83.05042	1.8
85.02967	24.3
87.00872	4.3
89.02466	19.1
93.03483	4.8
95.01396	3.9
96.96027	2.4
97.06554	2.0
99.00887	3.9
99.04489	2.9
99.59068	1.8
101.02458	31.2
102.71619	1.8
109.02951	1.9
111.00867	2.4
113.02461	23.1
119.03547	11.2
119.04963	8.4
121.02966	4.3
135.04521	2.6
137.02480	8.7
143.03500	3.0
161.02467	3.8
161.04578	13.6
163.03958	5.7
170.86101	1.7
173.04582	6.3
175.03993	2.6
181.78453	1.8
187.11279	2.1
191.05536	2.8
193.05112	3.0
297.37427	1.7
306.07513	2.5
319.80179	2.1
339.25192	4.2
368.64807	2.1
397.22327	2.3
465.28473	2.6
483.30045	2.3
501.16193	4.1
501.24002	1.8
501.30499	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04652	1.1
59.01384	100.0
61.98842	2.0
68.34314	1.1
69.24072	1.2
70.06335	2.8
70.06720	2.0
71.01380	12.0
72.99282	1.9
73.02954	2.5
78.60854	1.2
85.02964	4.5
89.02437	2.1
96.96012	3.1
101.02447	4.0
113.02470	1.8
115.00360	1.1
122.05705	1.1
129.91173	1.1
161.04544	2.7
185.45091	1.1
221.06618	1.4
311.22253	3.2
398.35367	1.1
399.23944	2.4
457.33136	1.3
501.31934	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45187	0.8
55.84880	0.7
59.01386	100.0
61.98833	1.8
65.61369	0.8
71.01382	7.3
71.56481	1.1
73.02962	2.3
75.55469	0.9
83.01382	1.2
85.02982	2.5
89.02470	3.0
90.88234	0.7
96.96039	1.5
101.02464	5.4
113.02446	3.5
119.03541	3.3
138.01154	0.7
161.04620	2.1
163.97685	0.7
202.65546	0.7
311.21957	1.0
319.28558	0.8
339.62347	0.9
350.96573	0.9
369.37115	0.9
399.23917	2.0
441.21872	0.8
466.41602	0.8
501.31909	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	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80828	0.5
57.03424	0.8
59.01386	100.0
60.01710	0.9
69.13296	0.5
71.01381	5.4
73.02966	0.6
83.01376	0.6
85.02972	1.9
87.13801	0.5
89.02451	4.6
96.96023	1.1
101.02462	2.7
111.00891	11.1
113.02472	1.1
119.03510	1.3
123.96204	0.6
126.42581	0.6
154.99904	0.8
161.04588	0.9
173.00954	2.8
173.31833	0.5
179.05658	0.7
203.57886	0.6
229.10753	0.9
242.01614	0.6
297.17984	0.6
387.61182	0.6
501.05615	0.6
501.29153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40960	0.5
57.03446	0.7
59.01385	100.0
60.01727	0.7
61.98823	0.8
62.98002	0.4
66.09346	0.4
69.90114	1.0
69.90496	1.9
71.01379	4.1
72.99323	0.6
73.02947	2.8
75.00898	1.2
83.01400	0.5
85.02950	2.9
87.00907	0.8
89.02453	2.6
95.01411	0.8
99.00908	1.2
99.92613	2.0
101.02454	2.9
111.00912	1.7
113.02483	3.6
115.92088	2.3
116.92898	1.9
119.03571	0.8
121.02987	1.9
121.10273	0.6
129.05617	1.5
132.14691	0.5
132.43861	0.4
142.94464	1.8
161.04559	0.7
173.04613	0.5
191.05621	0.9
233.15613	0.7
249.06239	1.8
251.16541	0.5
267.07324	1.3
304.22595	0.4
327.33102	0.4
501.01425	2.9
501.23596	6.6
501.30978	2.0
502.23828	0.5
511.23923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.1
60.01708	1.0
61.98836	100.0
71.56105	1.2
86.65161	0.8
96.96022	1.0
147.70930	0.9
156.27940	0.8
249.43283	0.8
277.21762	8.1
278.73657	0.8
425.30679	1.5
441.33942	2.1
445.23322	2.1
463.39279	0.8
484.37521	1.1
502.32706	3.9
503.19128	1.4
503.27618	0.9
503.33951	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	502.2943
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
50.50237	0.1
56.79586	0.1
57.14195	0.1
59.01384	1.2
60.17156	0.1
61.98843	0.1
62.96406	0.2
69.73146	0.2
69.73552	0.4
71.01376	0.3
75.88897	0.1
78.95912	25.8
79.36742	0.1
83.05035	0.3
96.96979	0.3
97.06572	0.1
104.97492	0.2
113.06123	0.1
122.98598	0.2
127.07660	0.3
134.98563	0.2
152.99594	2.5
168.04326	4.0
194.05891	0.3
205.19534	0.1
210.38004	0.1
224.06947	10.9
225.07239	0.2
227.20125	0.1
233.22804	0.5
242.08011	2.7
259.20740	0.5
275.20145	0.5
277.21732	100.0
278.22076	6.2
366.45007	0.1
387.13409	0.1
413.21054	0.2
502.29422	23.4
503.29382	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	502.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
59.98530	0.1
61.98828	0.1
63.59489	0.0
69.06088	0.0
70.07172	0.2
71.01382	0.4
78.95910	7.2
83.05032	0.2
96.96983	0.1
97.06622	0.1
97.84861	0.0
98.19876	0.1
99.04591	0.1
113.06124	0.1
127.07623	0.2
139.00693	0.0
152.99590	0.6
168.04326	2.0
171.00670	0.1
205.19505	0.1
224.06924	1.3
233.15437	0.0
233.22731	0.3
242.08009	3.1
243.08165	0.1
259.20624	0.5
261.18756	0.1
275.20071	0.5
277.21725	100.0
278.22064	6.2
299.23117	0.1
502.29410	6.7
503.29428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
57.38983	0.8
59.01390	7.2
71.01382	7.1
71.55191	1.1
72.99311	1.5
73.02950	1.0
75.00880	2.7
77.03967	2.2
79.01884	1.2
79.19601	0.8
83.01389	1.5
85.02958	19.3
87.00892	2.8
89.02464	2.8
93.03476	3.5
96.96014	13.5
98.95596	1.7
101.02447	3.6
102.98611	6.2
108.02176	1.6
109.02959	1.5
111.00912	5.8
113.02480	2.8
117.03493	8.4
119.03527	1.1
119.05031	1.2
121.02978	3.7
123.04546	1.1
129.01926	2.5
133.02904	0.8
134.03711	2.3
135.04530	3.3
137.02448	3.1
139.77423	0.8
143.03497	0.9
145.02972	1.9
146.03734	0.7
147.03006	2.9
149.02434	2.7
149.06053	1.3
159.04527	2.8
161.02461	5.3
161.04543	1.6
161.05939	0.8
163.04051	2.3
164.04822	1.4
165.01892	3.4
172.75740	0.7
173.00746	1.2
173.04584	1.7
173.06018	0.9
175.00369	2.2
179.03513	2.5
179.07172	1.7
183.04500	2.4
183.08122	1.5
190.02724	3.6
191.01997	6.5
191.03542	1.2
191.05576	4.0
192.04050	0.7
193.01447	1.9
196.05278	1.3
197.06160	1.0
205.05037	3.8
209.03018	2.2
210.06902	0.9
211.07721	1.3
223.06212	3.6
224.04762	1.7
224.31151	0.8
237.05568	1.0
239.07198	2.4
253.04950	1.9
254.05832	1.1
255.06654	1.0
265.07162	1.4
269.04553	4.8
281.04471	9.4
282.05304	3.4
283.06180	64.6
284.06418	3.3
293.04514	3.2
295.06155	5.9
297.08295	2.0
308.03366	1.0
309.03983	1.8
311.05646	100.0
312.05991	7.5
314.04315	3.3
323.05603	11.3
325.07062	1.1
339.05249	2.2
341.06659	23.8
341.10236	2.3
342.06842	1.2
353.06738	1.7
355.08289	1.3
369.06097	0.9
413.08951	1.2
424.18643	0.9
431.09842	72.0
432.10043	6.3
459.09250	2.3
485.12982	1.3
503.07581	1.9
503.14481	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	503.1203
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.23821	0.6
59.01388	14.0
61.48250	0.6
61.98829	2.5
67.01935	0.7
71.01381	5.0
72.99271	0.8
73.02949	2.2
75.00872	1.5
83.01385	1.7
85.02961	3.8
87.00889	1.2
89.02451	2.1
93.03473	2.5
96.96019	1.4
99.04529	0.8
101.02480	3.1
101.59492	0.6
107.01455	0.7
109.02937	0.9
111.00927	0.9
113.02463	3.4
117.03442	0.8
119.03547	1.2
125.02470	0.9
133.02946	1.0
135.04556	3.6
136.01620	1.0
137.02434	2.0
145.02945	1.1
147.04530	0.6
149.02414	0.8
151.00340	1.2
159.04491	0.7
161.02448	1.6
161.04575	1.5
172.47813	0.7
173.04568	4.8
175.04008	1.2
177.05553	0.9
179.03427	1.4
179.05630	4.2
191.01991	0.9
191.05649	6.8
193.04985	1.1
199.03941	1.0
205.04948	1.1
211.03935	0.7
223.13196	1.0
227.03563	0.9
255.03011	90.5
256.03412	6.4
264.07843	1.9
268.03629	1.1
269.04510	4.4
281.06778	1.2
283.02518	62.8
284.03238	18.0
285.03976	2.7
297.04099	10.8
298.04816	10.8
299.02127	1.0
299.05643	15.2
300.05933	1.0
308.06921	1.7
313.03595	2.0
323.05737	0.8
323.09314	8.9
341.09085	1.2
352.86307	0.7
353.08713	1.0
372.80264	0.7
381.22916	0.7
458.06635	0.7
459.22498	1.3
488.09717	17.4
489.10345	0.9
503.12009	100.0
504.12381	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	503.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29512	0.7
59.01382	11.2
62.89189	0.6
69.45348	4.9
71.01382	7.3
73.02954	1.1
75.35336	0.7
83.01360	1.0
85.02950	4.8
87.00877	2.1
87.04524	1.8
89.02450	4.4
91.01913	2.0
93.03495	0.8
96.96089	0.7
98.20653	1.5
99.00893	0.7
101.02449	4.5
103.43163	0.6
113.02434	3.3
117.05625	0.9
119.01376	4.2
119.03520	1.1
121.02962	5.3
132.02228	1.3
134.03783	3.8
135.04524	1.7
135.06656	3.2
138.05589	0.8
147.00967	3.9
147.04539	1.4
149.02451	21.3
150.03084	0.8
151.03975	0.9
152.01178	1.4
160.01666	4.2
163.04044	2.3
164.04802	23.3
164.06189	1.3
165.01979	1.4
165.05275	0.8
175.00377	31.8
175.03941	5.4
176.00880	1.3
179.07120	3.3
190.02727	85.7
191.03377	4.4
193.05101	3.4
194.02344	0.8
196.62526	0.7
205.05067	90.4
206.05464	4.2
207.03030	1.0
208.03755	1.9
209.04568	2.2
221.08221	2.5
223.06126	46.5
224.06490	1.6
265.07175	7.3
295.08255	1.7
297.08185	2.7
297.11658	0.8
315.20023	0.8
325.09796	0.7
367.10077	1.2
488.15314	0.8
503.17801	100.0
504.18112	8.4
523.32147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01388	14.5
68.70197	0.6
68.89226	0.6
69.30958	5.5
71.01392	9.9
73.02951	1.5
74.85857	0.6
81.17786	0.7
83.01391	0.8
85.02959	6.7
87.00877	1.0
89.02454	5.8
91.01907	1.6
93.03472	1.1
101.02457	4.6
113.02460	1.8
117.25662	0.7
119.01397	5.0
119.03538	1.7
121.02972	4.3
127.39586	0.5
128.56136	0.7
134.03751	0.8
135.04510	2.2
135.06659	3.8
137.02493	0.6
147.00912	4.8
147.02991	0.7
147.04544	1.6
148.05629	0.6
149.02472	24.1
150.02986	0.6
161.02454	1.0
162.03256	0.9
163.04012	2.8
164.04820	27.8
165.02011	1.1
165.05247	0.9
169.05089	1.0
175.00389	34.9
176.00810	1.0
179.07146	3.2
189.01935	1.2
190.02747	94.3
191.03323	5.1
203.07143	0.7
205.05080	97.9
206.05550	4.6
208.03784	1.7
209.04637	1.4
215.90575	0.6
221.08090	1.7
223.06146	47.5
224.06422	1.6
237.07626	1.4
258.77982	0.7
265.07196	8.7
295.08301	2.4
297.11710	1.3
307.08063	0.9
325.09256	1.7
367.10461	2.0
488.15222	0.7
503.17755	100.0
504.18036	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	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.2
57.37864	0.8
59.01108	1.2
59.01387	19.8
61.98847	2.1
69.50143	6.6
71.01389	11.9
72.90079	0.8
72.99304	1.6
73.02947	1.9
75.00883	1.0
83.01399	2.1
85.02959	21.9
87.00880	2.8
89.02454	7.1
91.01926	1.3
93.03461	4.5
96.96014	2.0
97.30264	0.9
99.04544	0.8
101.02470	5.6
111.00895	1.4
113.02460	4.2
116.92867	2.4
117.05576	1.1
119.01389	6.5
119.03477	2.6
121.02990	3.9
122.91664	0.8
125.02480	1.6
129.01970	1.8
133.02960	1.3
133.05038	1.5
134.03755	2.4
135.04521	3.9
135.06621	3.1
136.01665	2.6
137.02483	4.9
141.77965	0.8
147.00916	4.3
147.02998	3.4
147.04538	1.5
149.02458	23.4
151.03984	1.8
152.01140	2.1
159.03015	0.9
161.02454	2.0
161.04582	0.9
162.03316	1.1
163.04004	3.2
164.03502	1.4
164.04825	24.4
165.01904	1.2
165.05296	1.3
170.31781	0.8
173.04597	1.6
175.00381	34.8
176.00943	1.1
177.01866	1.2
177.05629	1.2
179.03508	2.0
179.05771	1.0
179.07114	4.1
190.02740	93.2
191.01787	7.3
191.03323	3.4
191.05605	2.7
205.05075	94.9
205.57330	0.8
206.05582	5.4
206.07448	0.8
207.06732	1.4
208.03795	2.1
209.02878	1.6
209.04605	2.1
221.08194	3.2
223.06137	39.8
224.06509	2.0
237.07719	1.2
265.07211	11.0
281.06805	1.1
295.08426	1.4
297.11655	1.8
297.43951	1.0
325.09366	3.1
341.10284	3.0
367.10300	2.0
380.47266	1.1
429.12753	1.0
488.15302	1.7
503.17734	100.0
504.18030	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	503.3392
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
59.01387	5.6
66.27352	0.9
67.73481	0.9
71.57507	0.8
78.95916	6.0
82.17259	0.9
89.63943	0.8
96.96126	0.9
102.09171	1.0
102.84177	0.8
110.98547	9.5
161.84109	1.0
164.54932	0.8
167.01167	1.0
185.02228	21.8
251.44765	0.8
253.21710	6.1
278.94366	1.0
281.24963	3.2
421.23639	3.3
425.30646	18.0
426.30884	2.1
441.28043	1.6
441.33804	23.6
442.34192	2.0
459.34683	6.5
460.35519	1.1
467.31897	1.8
485.32739	3.2
491.73361	0.9
503.33844	100.0
504.34167	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	503.3382
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.07872	0.5
55.79012	0.5
57.03450	0.7
59.01385	1.9
61.98838	14.5
78.95909	1.1
79.63103	0.5
87.04527	3.1
96.96012	0.7
97.06629	0.7
99.00920	1.4
110.98571	0.9
141.92265	0.5
152.94006	0.5
207.70926	0.5
277.21777	9.9
278.22272	0.8
335.17670	1.0
409.27313	0.6
422.72141	0.5
425.30627	18.1
426.31076	1.2
441.33755	25.7
442.34177	3.3
445.23648	2.5
459.35114	6.8
460.35254	0.8
485.32828	3.0
486.33005	0.7
503.33893	100.0
504.34152	12.1
508.88412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
61.98838	100.0
70.87868	1.8
71.01390	4.9
73.02964	1.4
75.24596	0.7
85.02944	4.0
86.57613	0.8
88.46410	0.7
89.02460	2.8
91.00790	0.8
93.03474	4.7
101.02479	2.6
113.02471	1.4
135.04550	1.7
137.02444	7.4
138.33308	0.7
144.59741	0.8
159.11539	0.7
161.04657	1.0
163.04019	5.4
173.04633	1.6
174.26807	0.7
178.06319	6.6
191.05611	1.8
193.08725	10.7
194.09067	0.8
194.57007	0.8
213.09343	2.4
217.79994	0.8
289.83673	0.7
293.72504	0.8
326.50906	1.0
461.14655	4.0
503.32294	1.5
504.32883	1.2
505.34048	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	504.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
59.01108	1.8
59.01386	19.8
61.98837	5.0
67.90557	0.9
69.03468	1.8
71.01389	19.5
71.56032	1.2
71.77531	1.1
72.99332	1.3
73.02937	5.5
78.70646	1.0
81.03464	1.0
83.01392	4.1
83.05034	2.1
85.02964	10.7
87.00884	3.0
89.02451	3.2
92.05070	80.7
93.03473	5.6
95.01406	1.3
97.02994	2.5
97.06577	1.8
99.00863	1.7
99.72432	1.1
101.02446	8.5
109.02962	1.2
113.02469	8.2
116.05076	2.6
119.01383	2.9
119.03475	2.4
119.05008	1.8
121.02969	3.4
123.08175	2.6
125.02429	1.1
134.03761	3.1
135.04549	5.6
136.04057	100.0
137.02441	1.4
137.04420	3.0
147.00905	3.0
149.02449	20.9
150.03078	1.6
152.01172	1.1
153.01970	1.7
155.03517	1.4
156.05122	1.1
161.02505	1.3
161.04576	2.4
163.04030	4.8
164.04816	21.1
169.12392	1.2
171.13904	1.4
172.46754	1.1
173.04608	5.8
173.05833	1.1
175.00383	24.0
177.01863	1.6
178.04999	1.0
178.54163	1.1
179.03497	4.6
179.07117	6.2
189.02055	1.4
190.02733	71.8
191.03358	3.3
191.05635	6.1
193.01469	1.9
198.25432	1.2
202.87506	1.2
205.05067	70.5
206.05638	5.2
208.03737	4.5
209.04668	1.3
209.12038	1.2
221.08202	3.8
223.04079	2.1
223.06126	25.5
224.06566	1.6
225.15974	1.4
247.06281	2.0
265.07132	10.3
295.08176	2.8
325.09390	11.0
352.07822	1.4
359.27795	2.4
360.28186	1.3
367.10364	94.2
368.10626	4.6
467.32413	4.1
468.32895	2.0
490.12360	1.4
494.34900	1.2
503.25873	1.3
503.32465	14.6
504.33038	9.0
505.10910	2.4
505.34079	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	505.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98836	0.3
69.03447	0.3
69.72781	0.4
69.73193	1.3
74.77174	0.3
77.04005	0.3
96.96021	0.5
98.19859	0.2
121.02969	100.0
122.03316	2.8
143.59494	0.2
151.43761	0.2
151.91776	0.2
160.84265	0.4
179.05078	0.4
180.05750	0.5
181.06598	3.3
197.06108	2.5
207.04523	1.3
207.08070	0.4
223.04082	0.5
225.05574	2.6
235.63741	0.3
235.66019	0.3
251.07187	0.4
257.09720	0.9
280.85110	0.2
285.09082	0.4
295.06152	0.4
298.13351	0.2
301.08728	0.5
313.07169	5.4
357.06168	0.9
373.10751	0.7
383.07761	1.1
417.09827	10.6
418.10205	0.9
433.09259	0.5
504.34906	0.3
505.11517	7.7
505.31830	0.8
505.35928	0.6
506.11884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.137
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.72484	0.3
55.20276	0.3
56.66824	0.4
59.01387	3.0
63.02411	2.6
65.00006	0.6
65.00328	6.6
69.45584	0.4
71.01388	0.9
71.17891	0.4
71.18233	0.6
73.02952	0.4
74.38617	0.4
77.74681	0.4
80.02619	0.4
83.01389	4.3
85.02974	0.7
89.02496	0.6
93.03462	0.5
101.02443	0.8
107.01404	11.5
107.02136	0.6
108.02185	4.5
109.02959	0.5
112.63247	0.3
113.02482	0.5
119.03451	0.4
121.02943	0.5
123.04527	2.5
125.02446	1.1
131.01352	0.6
133.03011	0.4
134.03755	20.5
135.04475	0.6
136.01669	2.0
137.02428	1.5
138.01683	0.4
141.29018	0.3
143.79254	0.3
145.92535	0.4
149.02423	0.7
149.06094	12.7
150.03326	0.4
150.06456	0.6
151.00380	33.6
152.00752	0.8
160.01706	0.4
164.01155	3.9
165.01939	1.9
169.01358	0.7
173.04550	0.5
175.00340	1.2
177.01935	4.1
190.02676	1.3
193.01425	0.5
196.00201	1.6
199.04033	0.9
201.01909	0.5
205.05063	1.2
242.05765	0.7
257.08282	0.8
283.08862	0.5
285.03949	0.7
286.04852	1.6
301.07193	100.0
302.07535	6.3
325.07248	1.0
343.08243	3.5
424.88834	0.4
505.12561	0.5
505.17380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94563	1.0
55.01867	1.0
57.03448	3.5
58.00603	1.0
59.01385	23.4
60.99307	0.8
61.98832	2.7
67.01881	1.2
68.99831	1.5
69.03459	1.2
71.01394	15.9
71.24239	1.4
72.99310	4.3
73.02957	2.4
75.00879	17.2
81.03458	1.3
83.01366	1.7
85.02959	21.0
87.00882	7.1
88.98827	3.8
89.02462	4.5
91.03940	0.9
93.03471	19.7
95.01402	6.2
95.05032	1.0
97.28608	1.0
99.00890	8.9
99.48183	0.9
101.02452	4.9
103.00383	2.3
107.05034	1.7
108.02215	1.1
109.02950	1.2
111.00877	2.5
113.02460	21.7
115.00392	1.5
117.01974	2.0
121.02966	81.1
122.03284	2.7
123.04552	8.3
129.01918	1.3
132.02190	1.2
133.02975	11.6
134.03769	1.1
135.04570	1.4
137.02451	27.8
138.26819	0.9
149.02428	1.2
151.04004	1.9
173.00929	1.3
173.04564	1.8
175.02492	3.1
186.87796	1.1
190.02679	1.4
191.05621	2.5
197.11794	0.8
209.06024	0.9
227.06712	1.3
231.05051	4.8
249.06168	38.7
261.05627	1.5
301.10733	1.0
329.10358	1.3
347.11221	0.9
353.08804	5.0
371.09851	100.0
372.10187	3.8
505.13538	47.4
505.26047	3.0
506.14142	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	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.04713	0.9
57.03458	2.4
57.03757	0.9
58.00599	2.5
59.01388	65.8
61.98838	8.6
63.91225	1.1
71.01393	42.1
72.99325	3.2
73.02962	10.6
74.02479	4.6
74.99094	1.7
77.03973	2.6
80.41283	1.0
83.01385	2.0
83.05061	1.0
85.02972	14.2
87.00889	3.4
89.02454	40.8
93.03465	9.0
95.01408	2.2
95.05038	14.0
96.96030	6.3
97.02988	1.3
98.20608	2.0
99.00886	11.0
100.42998	1.0
101.02462	23.6
105.03477	3.6
109.02984	2.2
111.00913	3.8
113.02473	14.9
115.92135	1.8
116.03571	2.0
116.17040	1.0
116.92896	1.2
118.98080	2.6
119.03530	7.6
121.02965	4.1
123.04539	100.0
124.04833	1.7
125.02454	2.9
131.03508	6.6
133.02985	3.9
134.03770	5.6
135.04539	7.1
137.02451	10.8
143.03572	2.1
145.02968	1.5
149.02472	49.9
149.04530	25.0
149.05829	1.9
150.02872	2.2
153.05632	1.2
155.03502	1.6
159.04465	1.1
160.01653	2.7
161.02446	2.9
161.04564	4.7
163.03941	1.2
173.01111	1.7
173.04532	6.4
175.04034	3.0
177.01944	3.6
178.02705	3.4
179.03482	2.7
179.05652	2.4
191.05634	9.6
193.05162	1.9
197.04532	1.7
205.04939	1.0
221.60701	1.0
233.06636	1.7
235.06155	2.2
251.07823	2.2
255.03111	1.5
257.04584	5.1
271.02484	3.5
300.02679	5.9
301.03528	1.3
331.08276	6.8
341.06729	2.0
373.22592	1.3
445.20816	5.6
463.21991	3.7
505.09857	3.5
505.26685	20.5
506.26843	1.4
506.33307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.1
57.03452	2.6
58.00607	1.8
59.01388	63.0
61.98843	10.5
62.04070	1.1
71.01394	38.2
72.99310	4.3
73.02962	10.2
74.02488	4.9
74.99107	1.2
75.00883	1.2
77.03964	4.6
83.01411	2.8
85.02966	15.1
87.00880	3.2
88.13660	1.1
89.02460	36.7
93.03487	9.1
95.01373	3.4
95.05034	15.2
96.96018	5.9
99.00880	9.8
101.02454	23.3
105.03468	4.4
108.02213	1.5
109.02943	3.4
111.00895	4.9
113.02473	12.5
116.03531	4.0
118.98110	2.2
119.03500	5.5
119.05015	1.9
119.08578	1.2
121.02934	4.3
123.04539	100.0
124.04875	2.2
125.02465	3.2
129.01924	2.1
131.03535	7.2
133.02948	4.5
134.03786	8.2
135.04564	8.2
137.02463	9.7
137.09781	1.5
138.03345	1.3
143.03496	2.5
145.02913	2.0
147.03027	1.3
149.02470	58.1
149.04515	22.3
149.05835	2.1
150.02866	2.6
151.00432	1.4
153.01947	1.8
155.03477	1.7
156.02263	1.1
160.65172	1.7
161.02454	2.2
161.04607	6.3
161.05751	1.3
163.04054	1.7
167.03505	2.1
173.04562	6.8
175.04044	2.8
177.01900	4.8
178.02705	3.5
179.03468	3.4
179.05571	3.6
179.07027	1.1
191.03844	1.8
191.05612	13.3
193.05078	5.3
205.05063	2.0
229.41798	1.2
234.02148	1.2
251.07684	1.9
255.02884	1.9
257.04514	5.0
271.02536	2.9
272.06659	1.2
287.09204	1.7
300.02780	6.5
301.03427	2.1
331.08337	11.3
340.97546	1.2
341.06482	1.7
358.31931	1.2
385.05594	1.3
445.20490	3.6
462.27039	1.9
463.21738	4.5
505.10059	5.9
505.26678	21.8
506.26794	2.8
506.33392	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	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68916	0.6
57.03464	1.0
59.01110	1.1
59.01388	20.7
61.98848	0.6
67.01917	0.6
69.23278	1.4
69.23669	6.5
70.59123	0.6
71.01385	8.3
72.99303	0.9
73.02950	2.5
75.00890	1.1
75.15770	0.6
78.74301	0.6
83.05032	1.0
85.02964	4.6
86.20680	0.7
87.00897	1.6
89.02443	2.3
93.03471	14.5
94.14510	0.7
95.01397	0.8
96.80513	0.7
99.00911	1.3
99.04552	0.8
101.02462	5.0
106.01749	0.7
111.00859	2.0
113.02462	3.6
116.76649	0.7
119.03470	0.9
133.02922	1.2
135.04535	1.0
137.02461	29.7
143.03654	0.6
161.02444	1.0
161.04561	2.9
173.03239	0.7
173.04475	3.6
178.02684	0.9
185.11189	0.7
191.05629	3.0
209.11848	100.0
210.12140	4.0
235.05547	0.6
235.08220	2.4
249.06168	6.0
253.09337	10.4
260.00101	0.9
289.18085	2.8
307.19379	0.8
309.20642	0.9
387.09378	5.8
388.09543	0.9
442.67050	0.7
445.20721	0.8
459.53146	0.7
505.13956	1.3
505.21695	1.1
505.34677	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	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97236	0.5
56.03162	0.5
59.01376	2.2
59.23383	0.4
65.66608	0.4
69.69915	2.6
71.53898	0.6
78.95909	26.8
80.62674	0.4
83.05040	0.6
96.95981	0.5
96.96982	2.2
113.83002	0.5
114.91858	0.6
150.98093	0.5
151.21021	0.5
152.99606	39.2
153.51974	0.5
171.00670	2.2
190.32210	0.5
227.03311	5.6
245.04311	3.0
277.21744	100.0
278.22092	6.3
364.01849	0.5
413.21063	1.4
424.74643	0.5
505.25748	61.4
506.25967	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	505.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84991	0.3
59.01397	1.0
69.88686	1.3
69.89049	0.7
76.01937	0.3
78.95914	12.3
96.10760	0.3
96.96986	0.9
98.20486	0.8
111.13160	0.3
122.00589	0.3
152.98378	0.8
152.99615	15.9
171.00659	1.5
224.06879	0.6
227.03275	2.8
245.04327	2.1
259.20599	0.5
271.64838	0.4
277.21750	100.0
278.22073	5.6
279.23288	3.3
280.23666	7.1
505.25677	27.7
505.31345	1.7
506.26047	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93351	1.2
57.03432	2.7
59.01382	14.4
61.98814	1.4
66.26768	1.1
67.01862	1.1
68.96454	1.2
69.03414	1.2
71.01386	16.4
72.99306	5.5
75.00533	1.3
75.00879	14.2
78.95886	3.9
85.02528	1.4
85.02962	17.0
87.00906	5.7
87.01309	1.1
89.02430	3.5
89.93870	1.2
95.01379	4.8
95.52562	1.1
96.95971	4.3
98.20646	3.2
99.00896	9.0
101.02421	1.1
103.00378	1.8
111.00814	1.4
111.04558	1.1
113.01730	1.3
113.02460	23.5
115.00359	1.2
116.60468	1.1
117.01917	1.6
129.01880	2.9
142.69008	1.0
152.99490	3.1
157.01422	1.7
157.02689	1.3
163.74416	1.0
175.02487	2.6
178.43835	1.1
205.07039	1.4
227.03058	1.7
231.05072	2.1
249.06152	19.1
255.23311	100.0
256.23688	6.3
267.07321	1.5
279.23322	15.2
280.23547	1.8
291.19601	2.2
301.89383	1.3
309.20694	1.4
443.35037	3.9
447.09042	1.2
447.24789	2.9
487.28778	3.0
505.29932	90.9
506.30215	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	505.3541
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03453	11.0
59.01367	1.2
61.98820	2.0
65.78580	0.7
71.05009	0.9
71.56345	1.1
78.95917	2.6
85.02980	0.8
96.96017	5.5
99.82148	0.8
101.06091	45.8
106.33928	0.7
134.70949	0.7
137.02449	1.0
152.99619	1.8
258.29016	0.7
279.23309	10.6
297.22415	1.0
313.25336	6.1
329.28583	4.7
347.29608	4.3
359.29504	1.7
373.34836	1.1
391.28784	1.2
431.19846	0.8
443.35455	1.1
447.25443	1.8
461.36209	5.1
487.34167	1.7
505.35416	100.0
506.35623	11.1
522.72028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3542
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03461	1.8
58.38115	1.0
59.01379	7.5
61.98819	4.4
69.31364	8.7
71.01405	1.5
76.47318	1.2
78.95921	4.9
85.02946	2.5
89.02485	1.1
96.96026	4.5
98.19981	2.5
101.02450	1.4
103.04013	2.8
103.92198	1.2
110.98552	3.2
152.99594	2.2
167.01213	1.5
185.02225	3.3
217.33823	1.1
228.97801	1.0
253.09343	5.5
255.23315	26.2
256.23645	1.7
269.24860	34.8
270.25150	2.8
279.23273	10.9
280.23761	1.5
297.22260	1.1
313.25327	5.0
329.28506	2.9
345.31430	1.4
357.31796	3.4
389.30252	1.9
401.30759	3.8
415.32233	3.9
423.25204	5.4
425.34381	4.3
433.33035	6.8
443.35205	9.2
447.25418	5.1
469.32983	2.0
487.34283	2.0
505.35474	100.0
506.35785	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	506.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	40.7
61.98831	3.5
64.34878	1.3
71.00999	2.4
71.01393	38.7
71.56812	1.8
72.00910	12.3
72.99328	3.0
73.02941	1.7
79.09654	1.3
85.02972	6.3
87.00890	1.9
89.02451	48.3
93.03474	1.6
95.01402	1.8
96.96021	5.0
101.02453	16.3
113.02465	14.2
119.03526	15.8
120.01286	2.1
120.99641	1.4
131.03481	1.9
134.03766	2.5
143.03490	4.2
147.03369	2.6
147.04535	42.8
149.04504	1.8
161.04550	6.3
164.07187	98.6
165.04071	3.0
165.07478	4.1
173.04524	2.5
179.03358	1.9
179.04050	1.8
179.05649	25.8
193.05000	2.2
205.05084	2.1
223.06171	3.2
255.10506	3.2
256.10577	3.0
295.08047	2.3
312.15280	1.5
341.10910	100.0
342.11258	4.9
506.14590	2.2
507.17471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.9
59.01388	11.2
60.99312	15.7
61.98821	1.1
65.00329	1.3
71.01400	6.9
71.56763	0.9
72.99314	1.2
73.02949	1.9
75.00883	1.7
83.01403	3.4
85.02973	5.1
87.00863	1.5
88.98819	90.5
89.02494	1.6
93.03473	2.5
95.01394	1.2
99.00896	0.8
101.02450	3.9
107.01395	2.6
108.02219	2.3
109.02970	2.6
111.00896	2.0
113.02460	3.8
116.03619	1.0
118.98104	1.8
120.99683	1.8
121.02969	2.4
123.04496	0.8
124.01658	1.9
125.02457	8.0
133.02983	9.2
134.03706	1.5
134.16658	0.9
135.04541	2.1
137.02487	1.6
139.00397	5.7
147.04492	1.2
149.02417	1.4
151.00398	13.9
152.00909	0.9
161.02565	1.7
161.04585	1.4
163.00333	1.3
163.04025	2.6
165.01935	2.6
167.03433	1.6
167.12489	0.9
169.01491	4.7
173.04552	3.9
174.03342	1.0
175.00432	1.3
175.04025	3.9
177.02048	1.0
180.04349	2.9
191.03680	1.5
191.05661	3.3
193.01460	1.6
193.05058	1.1
195.06607	5.1
226.10042	0.9
241.05167	1.4
255.06773	1.1
269.04520	1.0
271.06143	1.1
284.03250	5.2
285.04086	6.4
297.04044	12.1
298.04703	7.0
299.05649	12.0
309.04071	1.3
311.05243	1.7
327.05112	73.4
328.05527	6.0
339.05066	3.3
357.06226	16.9
369.56247	1.1
381.06042	2.1
417.08316	100.0
418.08627	8.9
506.33469	3.3
507.11322	18.9
507.19965	1.2
507.27869	2.9
507.34189	1.5
508.11737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
69.03457	1.9
69.38449	4.8
71.01384	1.6
79.01888	0.9
83.01388	1.0
85.02959	0.9
95.01389	1.2
97.02941	2.0
101.02423	0.9
107.01398	1.0
108.02219	0.9
121.02950	0.8
123.00900	8.4
124.01676	20.2
125.02458	37.1
132.02199	1.8
134.03773	7.0
137.02432	3.1
139.03975	1.7
143.69762	0.8
148.31461	0.7
148.79263	0.8
149.06061	0.9
149.99596	31.6
151.00270	2.5
160.01675	9.2
161.02379	1.2
168.00652	58.7
169.01358	4.1
175.00435	1.4
175.04021	9.1
179.03468	0.9
190.02690	2.8
191.03462	1.3
193.05090	3.4
205.05110	4.2
229.02051	0.9
313.05716	4.0
331.06760	13.9
332.07013	1.3
337.09271	1.4
401.95865	0.7
409.34799	0.7
464.57980	0.8
475.37994	0.7
489.10529	1.5
507.11365	100.0
507.27612	2.2
508.11633	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	507.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03469	0.7
59.01390	11.7
60.77824	0.5
61.98824	2.0
70.98886	1.2
71.01389	6.1
73.02955	3.0
75.00883	9.6
77.54306	0.5
83.01408	0.8
83.05034	0.8
85.02967	3.3
87.00883	1.1
89.02480	2.7
89.02943	0.4
93.03479	3.1
95.01414	0.5
96.96031	0.9
97.06617	0.7
98.62872	0.5
101.02463	3.0
108.02158	0.8
109.02975	0.9
111.04517	0.7
113.02437	1.8
119.03521	0.9
119.05072	0.8
121.03039	0.6
125.47369	0.5
131.03485	0.7
133.03001	0.6
134.03758	0.7
135.04533	1.5
137.02469	4.5
149.04613	1.0
149.05988	0.7
151.00345	1.1
159.04512	0.6
161.02431	0.7
161.04642	1.1
163.04013	0.8
173.04584	4.0
175.03896	0.6
179.03543	1.4
183.13881	0.6
191.05640	5.3
211.13451	2.6
267.03079	0.9
271.02301	0.6
295.02530	1.7
296.03217	0.9
314.04276	0.5
323.01993	1.6
324.02756	12.5
325.03375	1.0
337.03540	1.0
338.04285	2.5
339.05084	14.6
340.05527	0.9
347.05441	0.8
359.05759	2.3
360.06384	0.6
375.05090	4.2
376.05585	0.9
387.05029	2.7
388.05682	0.8
403.04523	8.7
404.05347	0.9
405.26364	2.4
413.03198	0.8
414.03784	2.9
415.04565	3.7
416.05176	0.8
418.07004	0.7
419.07645	1.7
423.54727	0.5
429.06100	1.1
430.03287	1.2
431.04047	11.3
431.09308	1.0
432.04819	4.3
445.05420	1.0
446.06430	26.2
447.07098	13.1
447.12726	1.0
447.21918	1.0
461.08798	23.5
462.09244	1.7
477.08264	4.9
492.10706	17.2
493.11060	1.2
506.33777	0.6
507.12970	100.0
507.31311	2.4
508.13376	8.0
508.35193	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31848	1.9
56.53755	1.9
59.01378	10.6
64.10051	2.0
69.03463	42.0
70.39923	2.4
70.40276	6.6
71.01392	2.0
73.64241	2.0
79.01907	30.8
81.03482	2.0
85.02975	2.7
95.01410	4.4
97.02948	21.6
106.48934	2.0
107.01405	60.3
108.02228	4.8
121.03045	2.6
123.00903	8.7
125.02451	35.8
128.17250	2.2
135.00899	29.1
136.01695	3.3
143.45671	2.3
148.54916	2.3
151.00381	57.4
152.01143	12.4
153.02008	3.9
163.04012	4.1
173.04510	2.3
177.01953	6.9
225.05722	2.3
242.05878	66.7
243.04323	3.9
243.06613	37.4
317.00198	2.1
339.07278	4.7
447.12970	100.0
448.13306	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
62.83145	1.1
63.86432	1.2
65.70252	1.4
69.28703	10.6
75.00890	2.3
87.00891	22.9
99.00889	5.2
105.01949	24.2
128.31396	1.5
147.03008	3.4
165.04060	100.0
166.04323	1.4
199.14885	1.3
258.47623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	15.6
59.01109	6.0
59.01388	100.0
60.99306	7.1
61.98840	6.1
69.03450	3.7
71.01392	64.0
71.55597	4.0
72.20401	3.8
72.99308	6.4
73.02965	14.5
74.99110	20.4
75.00863	6.7
83.01418	4.8
85.02968	23.4
87.00896	4.6
88.98814	30.7
89.02454	56.6
93.03477	15.7
96.96028	45.3
96.97000	7.9
99.00885	7.5
99.04511	9.8
101.02448	29.9
109.02976	8.8
111.00832	3.9
113.02451	22.2
118.98105	61.2
119.03495	4.1
120.01294	4.3
120.99673	13.7
121.02970	5.9
123.00948	6.1
125.02442	27.8
131.03543	4.7
135.04526	8.4
136.99142	13.5
137.02472	10.8
138.03221	14.1
149.04573	18.1
153.05632	4.8
161.04526	8.3
165.05566	4.2
173.04532	10.0
177.01961	7.1
179.03552	8.3
179.05502	6.4
191.05621	17.0
191.38303	4.4
228.60069	3.6
233.06657	14.9
252.08124	5.5
267.10266	10.1
285.07535	4.8
293.08865	40.0
297.11395	7.4
306.07910	6.3
315.12265	4.2
387.20459	4.5
447.22324	4.9
507.10089	18.2
524.17255	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	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	12.2
59.01387	100.0
69.03452	7.3
69.30379	6.7
69.30785	36.2
71.01389	81.8
72.99310	7.9
73.02939	18.1
74.99097	21.6
75.00863	8.3
83.01387	12.1
85.02956	19.1
87.00903	7.9
88.98801	5.6
89.02452	75.4
93.03468	6.4
96.96040	25.7
97.02953	11.4
98.50271	3.9
99.00888	11.5
99.04530	9.4
101.02467	29.2
111.00910	3.8
113.02457	16.3
115.04022	7.2
118.98103	59.3
119.03504	8.7
120.99676	10.9
123.00900	17.8
125.02467	38.7
128.03551	8.0
131.03537	11.0
135.04575	7.7
135.89578	3.5
136.99142	12.9
137.02448	5.5
138.03217	19.2
143.03596	5.1
149.04561	18.5
161.04538	4.9
164.04803	4.2
167.10799	9.6
173.04610	8.3
191.05537	21.0
233.06575	22.8
267.10184	5.7
293.08850	79.7
294.09402	4.4
318.81873	4.7
329.02893	9.2
384.64001	4.3
447.15030	8.4
447.22363	7.8
507.11194	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	507.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47755	2.0
59.01390	11.5
61.98832	9.1
69.23505	3.7
69.23907	16.9
71.01394	4.1
78.95905	5.1
81.57346	2.0
85.02963	4.7
93.03471	6.4
96.96018	4.9
97.02956	6.4
113.02482	2.2
114.32229	2.1
117.03484	4.5
119.05023	3.4
121.02995	5.1
123.04493	2.8
135.04523	2.9
137.09731	3.1
162.03188	5.8
163.04005	2.5
171.10300	4.8
173.04590	11.6
191.05650	11.8
209.11902	3.8
223.13387	2.3
291.19690	31.0
309.20764	100.0
310.21118	6.0
311.22311	4.9
339.07956	2.3
341.06482	4.4
470.95758	2.2
477.08392	2.8
491.09152	2.1
492.10709	4.1
507.12967	25.3
507.23398	10.6
508.26685	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.0
70.64529	5.5
78.00803	1.6
78.95904	1.9
85.02983	1.9
93.03460	2.0
94.90484	1.8
96.96008	3.3
116.87988	1.6
125.09705	2.0
128.11320	1.6
140.23303	1.5
173.04552	4.4
191.05632	3.1
201.11192	1.8
220.96999	1.5
243.08217	5.7
247.20653	1.9
271.04984	2.1
291.19540	4.5
299.08118	4.9
309.20743	100.0
310.21005	6.4
327.21915	2.3
351.21506	1.6
365.16269	3.4
407.17316	3.9
425.18332	2.8
505.21680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77933	1.5
54.04419	2.0
55.01891	2.3
55.40438	1.8
57.03444	4.5
59.01383	62.4
60.56527	1.6
61.98837	2.6
70.89101	3.8
71.01009	2.6
71.01389	49.6
72.99308	2.8
73.02947	11.2
74.02483	3.8
75.08839	2.1
79.92612	1.8
83.01408	7.7
84.13263	2.0
85.02964	18.9
87.00874	1.8
88.60795	1.7
89.02453	29.7
93.33382	1.9
95.01388	2.6
99.00881	6.1
101.02457	26.6
111.00866	3.4
112.46619	1.7
113.02461	16.4
119.03515	4.3
123.53162	1.8
125.02474	3.8
131.03539	16.4
143.03545	2.1
149.04536	6.7
152.01152	2.1
159.02927	2.5
161.04573	16.2
173.04565	2.7
191.05606	4.7
214.02597	2.5
226.02666	2.4
233.06747	2.3
242.02271	3.4
270.01721	10.7
282.05157	2.3
285.04105	22.1
286.04266	2.4
293.08691	3.7
313.03537	33.1
314.03989	3.1
315.18146	22.1
327.05182	2.7
328.05905	52.1
329.06262	2.0
430.60205	1.9
447.22345	100.0
448.22723	9.6
507.12759	5.0
507.27942	4.4
508.31427	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	507.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03431	1.8
58.00588	1.1
59.01386	32.4
60.99297	1.2
61.98837	7.0
62.22943	0.6
66.39250	0.5
70.35804	0.7
70.36156	1.9
71.01391	29.2
72.99310	1.6
73.02950	7.8
74.02460	0.6
74.74957	0.5
74.99105	0.5
78.62435	0.6
83.01374	2.1
85.02966	9.4
87.00892	3.0
88.98275	0.6
88.98817	9.1
89.01933	1.0
89.02457	16.5
93.03462	2.0
95.01379	1.7
96.96031	0.7
97.02972	1.0
98.20576	0.7
99.00890	4.6
99.04549	0.7
101.02457	12.9
108.02200	0.7
109.02904	1.2
111.00905	0.9
113.02470	6.7
119.03500	2.4
119.05003	1.3
121.02949	0.8
125.02448	2.0
131.03508	8.9
135.04517	1.2
137.02432	2.6
138.05637	0.8
146.95050	0.5
149.04518	1.8
161.04530	0.8
163.03972	1.1
173.04599	1.7
183.13882	1.0
191.05624	5.4
195.13940	5.6
209.11908	0.6
213.14902	4.0
238.55011	0.7
357.19208	1.0
375.20255	7.8
376.20407	0.8
463.30411	1.1
507.24399	100.0
508.24792	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.7
57.03441	2.8
59.01388	66.3
59.34502	2.1
60.01749	2.1
60.93540	2.1
61.98853	10.1
71.01390	44.3
73.02953	13.0
75.00890	5.8
83.01398	8.0
85.02958	18.6
87.00865	3.0
89.02451	29.1
93.03468	16.8
95.01417	3.2
97.02946	2.2
98.19924	7.0
99.00896	4.7
99.21944	2.1
101.02457	29.7
108.02158	2.4
109.02938	2.2
109.14945	2.1
111.00877	2.6
113.02468	15.1
118.77290	1.9
119.03530	3.4
119.05027	2.7
121.02993	2.8
123.04550	2.5
124.01700	2.7
125.02436	3.8
131.03529	14.5
133.02959	4.9
134.03731	3.3
135.04532	8.3
137.02458	8.5
138.02003	4.9
149.04584	20.5
153.01813	2.4
159.03030	2.2
161.04614	10.3
163.80701	2.7
173.04553	19.4
175.04004	3.7
178.02754	3.3
179.03519	5.1
191.02022	2.6
191.05627	20.7
196.63591	2.0
200.00929	2.7
269.04773	2.3
285.04034	3.6
313.03516	3.5
313.10638	2.5
314.04190	3.2
315.18192	18.4
318.15192	2.2
324.02621	11.8
328.05872	6.6
329.06320	3.0
339.05042	15.8
374.06094	6.5
375.05206	5.0
387.05002	3.1
403.04660	7.8
414.03622	3.1
415.04462	2.6
431.04175	7.2
432.05093	3.4
446.06516	23.2
447.07422	10.5
447.22214	26.8
461.08844	19.4
463.25912	4.5
477.07980	5.0
492.10669	19.4
493.11285	3.0
507.12976	100.0
507.28595	3.4
507.32953	7.3
508.13242	10.8
508.35071	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	507.2615
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
54.09815	0.7
54.94744	0.6
59.01374	3.6
61.98826	1.4
66.03502	1.3
68.13223	0.6
69.25305	6.8
71.02525	1.5
73.04073	2.5
78.95930	0.7
83.02512	1.0
84.00930	1.3
87.64653	0.7
93.03481	2.7
96.96027	2.0
99.02025	2.1
107.05049	0.9
111.02010	1.2
113.03617	0.9
115.08780	6.3
118.06683	0.6
119.05042	10.6
125.07215	2.0
126.05630	2.0
134.06122	0.9
135.04527	0.7
137.07217	4.1
141.06734	3.6
146.06114	5.7
153.06743	1.3
154.09787	1.0
155.08264	3.4
162.05615	3.1
162.96030	0.7
169.13496	0.9
170.09369	4.8
172.10928	12.5
175.08713	1.0
179.08295	1.6
179.11865	0.8
189.06778	1.4
196.14722	0.8
197.12982	2.0
198.08882	1.6
200.10866	1.4
202.12309	1.4
214.15625	4.0
228.10330	2.1
245.12979	6.0
262.15601	6.2
278.15067	1.3
279.47687	0.8
299.17651	0.8
309.20990	1.1
342.66678	0.7
401.21954	25.9
402.22305	1.6
488.32022	0.9
507.26138	100.0
508.26382	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
62.02182	0.4
64.82018	0.6
65.92501	0.4
71.03310	0.5
71.03637	0.6
78.95914	6.1
97.45265	0.4
117.92724	0.4
125.42613	0.5
152.99606	10.8
171.00647	1.2
199.65865	0.4
204.41847	0.4
206.72035	0.5
227.03235	3.0
245.04262	1.5
279.23309	100.0
280.23688	6.6
296.31921	0.5
507.27319	24.3
508.27737	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	509.1299
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03442	3.6
59.01384	27.7
61.98829	7.1
66.83905	1.4
67.01868	1.3
69.03467	1.8
69.29097	1.5
71.01391	26.0
71.57752	3.3
72.99299	3.3
73.02950	6.8
74.02475	2.9
74.99111	3.6
75.00900	2.4
81.03477	2.1
83.01398	3.5
85.02953	15.0
87.00878	4.9
89.02464	8.6
93.03479	8.5
95.01386	5.7
96.96015	2.3
97.02937	1.9
99.00887	3.2
99.04520	2.3
101.02463	15.4
108.02187	70.8
109.02976	42.7
110.03288	1.5
113.02490	11.1
113.42029	1.3
114.48405	1.4
116.03510	4.1
119.03525	1.9
120.01265	2.2
120.99670	4.3
121.02957	5.5
123.00848	2.5
123.04562	3.3
125.02459	2.9
131.03548	1.9
133.02983	2.3
134.03760	2.1
135.04500	5.5
136.01613	2.4
137.02451	6.2
137.06088	3.2
143.03462	2.1
145.02957	2.0
146.38908	1.5
148.01654	6.3
149.02417	3.1
149.06094	6.6
151.03995	4.1
152.01167	100.0
153.01964	37.0
153.05562	7.3
159.02979	1.4
161.04543	5.3
163.04051	10.8
165.01996	2.7
166.02765	1.7
173.04584	5.1
176.01749	1.6
179.03407	2.1
179.05702	1.8
181.05064	5.1
190.03185	1.4
191.05632	8.3
193.05066	10.5
195.06535	1.8
238.49263	1.5
243.06599	2.1
247.05511	3.6
273.03461	2.2
294.67770	1.6
297.06165	2.6
315.07175	12.5
333.14883	1.4
347.11429	2.5
366.98816	1.6
449.20087	12.8
465.14490	2.3
467.21439	7.7
473.16406	3.0
479.12009	64.8
480.12189	4.8
491.11938	60.9
492.12488	4.4
509.12634	40.5
509.24094	2.9
510.13235	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	509.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01920	0.8
57.03443	1.2
59.01389	6.6
61.98850	1.2
68.99829	1.4
69.09895	0.8
71.01395	12.9
72.99313	1.9
73.02957	4.3
74.02478	3.7
74.99135	1.0
75.00896	1.2
83.01419	2.3
84.55844	0.8
85.02966	8.4
87.00901	2.8
89.02483	3.2
93.03471	57.4
94.03816	0.9
95.01425	3.0
96.96003	1.2
96.99342	1.7
97.02986	1.2
99.00890	1.8
99.04588	0.9
101.02471	9.9
102.51220	0.7
108.02184	11.9
109.02983	5.7
110.29374	0.7
111.00899	0.8
113.02467	6.7
116.03593	2.4
117.75098	0.7
119.03625	0.7
119.05055	1.3
120.99671	3.1
121.02988	4.4
123.04524	1.7
133.95482	0.7
134.03775	2.3
135.04562	2.3
136.01666	7.4
137.02460	77.9
138.02815	2.0
147.04552	1.8
149.02463	20.0
150.03268	1.6
151.04077	3.1
152.01183	9.6
153.01955	4.6
153.05582	1.7
160.01657	5.4
161.02449	1.5
161.04546	1.7
163.04118	1.1
164.04810	41.4
165.01932	1.7
165.05486	1.9
167.03517	1.7
173.04605	1.3
175.03979	5.0
179.03612	1.7
179.07153	54.1
180.07529	1.7
181.05133	1.0
191.03587	1.4
191.05725	3.1
193.05141	1.6
209.04784	0.8
221.04532	1.6
227.09300	2.2
246.59526	0.8
247.05556	1.1
265.18152	0.8
281.06705	68.0
282.07062	2.9
311.07813	1.4
315.07465	2.1
335.03711	0.9
357.08426	2.0
465.14072	1.5
465.28577	1.2
473.16531	6.2
491.11893	5.3
509.16895	100.0
510.17236	9.4
513.12781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
56.79652	0.8
57.03451	1.2
58.00597	0.9
59.01386	78.8
61.98834	10.4
66.84078	1.0
69.03452	1.0
71.01390	43.7
71.26967	2.0
72.99322	2.6
73.02958	43.5
75.00867	2.1
83.01392	14.0
83.93765	0.8
85.02959	9.3
87.00884	5.2
89.02454	18.5
93.03445	1.7
95.01369	2.6
96.96004	1.4
99.00891	2.0
101.02458	49.7
108.02192	2.9
109.02969	2.1
113.01867	0.5
113.02458	21.6
116.05077	83.8
117.05366	2.3
119.03515	9.2
125.02470	2.3
126.34570	0.8
131.03506	5.9
133.02885	0.9
135.04579	1.4
137.02412	1.1
138.78621	0.8
140.05067	2.6
142.06638	86.8
143.03529	5.4
143.06956	2.2
146.06149	4.0
149.04559	3.4
152.01100	1.5
154.06609	2.3
155.03459	1.2
158.06093	6.4
160.07680	2.0
161.04581	12.9
169.69281	1.0
170.06136	100.0
171.06468	3.5
173.04532	2.3
176.70128	0.9
179.05609	4.7
184.07710	1.6
188.07147	1.1
191.05661	3.0
203.03310	1.0
203.05551	1.6
212.07176	3.3
221.06641	3.5
239.48224	0.9
243.09337	2.3
245.10849	25.5
246.11227	2.1
269.10913	6.1
283.44995	1.0
287.11923	10.2
327.05118	0.9
332.11417	2.8
350.12518	3.7
449.17200	3.6
467.18555	2.0
508.34723	1.2
509.20050	1.3
509.34592	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	509.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74942	0.5
55.01888	1.4
57.03453	1.6
58.00585	0.9
59.01386	28.6
61.98844	2.9
71.01390	21.2
72.99318	2.7
73.02952	3.5
74.99110	1.5
75.00887	1.4
83.01398	3.1
83.05045	0.8
85.02965	8.3
87.00890	4.9
87.02748	9.6
89.02456	17.6
89.03010	0.9
93.03454	2.8
95.01398	2.3
96.00413	1.5
96.96014	0.7
97.01208	0.8
99.00900	1.4
99.02712	0.9
101.02456	17.9
108.02206	0.7
109.02990	1.7
111.00929	0.7
111.53461	0.5
113.02458	9.3
114.01467	5.1
119.03507	7.7
120.99681	0.8
123.04538	0.7
125.02481	1.0
127.07713	0.6
131.03539	0.8
133.03000	0.9
135.04588	0.7
137.02460	6.2
139.00436	0.9
143.03520	0.7
145.03067	0.7
149.02438	0.7
149.04567	0.7
153.02057	0.7
153.07466	0.7
155.10973	0.6
161.02461	1.3
161.04555	1.0
173.04584	1.9
179.03604	1.3
179.05647	0.7
190.02699	0.6
191.05676	2.1
197.10097	2.3
223.11627	8.3
241.12643	3.3
259.13724	2.7
273.17029	1.5
285.04123	2.0
301.24048	0.9
327.05032	3.3
329.23285	0.8
347.24417	2.5
357.06317	0.9
403.18024	3.1
421.19037	22.0
422.19315	1.3
447.09448	2.1
477.66714	0.7
491.28574	1.4
509.20682	100.0
509.29605	44.8
510.21030	8.4
510.30002	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	509.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51391	0.7
55.01892	1.0
57.03454	1.3
58.00605	1.9
59.01387	30.4
61.98830	2.0
71.01391	23.0
72.99319	2.2
73.02953	2.7
74.99096	1.1
75.00896	1.0
81.03488	0.7
83.01409	3.2
85.02959	9.4
87.00890	2.7
87.02750	9.1
88.98814	3.3
89.02456	16.4
92.23786	0.7
93.03472	3.3
95.01389	2.8
96.00451	1.2
98.20770	1.3
99.00884	1.5
101.02454	20.9
108.02235	0.7
109.02994	0.8
111.00883	1.4
111.13288	0.7
113.02454	9.3
114.01469	2.5
119.03534	6.5
119.05069	0.7
120.99664	2.9
124.01670	2.0
125.02490	1.4
127.07649	0.7
128.53282	0.8
131.03502	0.8
133.02956	1.4
135.04512	2.4
137.02452	4.8
139.00371	0.7
147.42255	0.7
149.02448	1.3
149.99632	1.4
160.01643	1.0
161.02435	1.2
161.04588	1.5
168.00677	1.9
173.04539	1.9
175.00462	1.2
175.03952	1.3
179.03439	1.1
179.05659	1.0
179.92365	0.7
190.02785	1.6
191.03207	0.9
191.05569	2.7
192.66812	0.8
195.62639	0.7
197.10103	1.9
205.05119	2.2
206.05424	1.2
207.05603	1.2
223.11705	4.5
229.73666	0.8
241.12708	2.7
258.03546	0.9
259.13721	2.8
259.19293	1.7
285.04074	2.3
297.04214	0.9
301.23798	1.0
327.05164	2.9
329.23273	2.1
347.24298	3.2
369.10986	1.0
403.17923	3.0
421.09793	1.3
421.18976	15.6
422.19284	1.2
447.09131	2.5
481.81085	0.8
509.13986	4.4
509.20651	100.0
509.29593	75.0
510.20981	8.5
510.29996	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	509.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83019	4.4
56.25007	3.5
56.59620	4.0
57.03473	4.5
59.01372	16.8
59.18544	4.1
61.98832	12.7
63.10863	3.6
69.19734	27.8
69.20153	13.8
71.01372	4.5
74.95344	3.7
80.93923	3.9
83.05070	3.9
93.03484	5.5
96.96037	9.3
98.20667	8.0
108.72463	4.3
122.42825	4.3
209.11954	7.7
210.38010	4.4
225.11340	8.8
291.19901	6.5
293.21359	29.6
309.20605	21.7
311.22293	100.0
312.22513	6.0
316.20053	4.3
447.09540	5.4
509.26266	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49408	1.6
55.63160	1.4
56.16002	1.6
59.01390	9.4
61.98827	2.6
71.01405	1.7
71.55720	1.8
71.56100	2.3
76.11303	1.6
78.95916	2.8
83.42720	1.5
96.96051	3.1
97.78149	1.6
119.50650	1.5
125.09727	2.5
155.36664	1.7
162.06912	2.0
171.10194	3.4
177.09201	1.7
193.65788	1.5
207.10188	2.6
209.11815	3.5
225.11195	1.8
240.73355	1.8
250.76085	1.5
262.07718	1.9
293.21292	3.5
295.23090	1.5
311.22318	100.0
312.22702	7.8
335.90659	1.6
482.53662	1.6
509.25754	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	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17586	1.1
57.03436	1.1
59.01387	18.0
61.98576	1.3
61.98836	14.3
71.01396	8.4
71.56341	1.3
72.99321	1.2
73.02950	1.2
74.02492	8.9
75.20316	1.1
78.95903	6.6
79.95738	5.1
80.96539	1.2
85.02961	3.9
87.00886	1.4
89.02462	5.3
93.03458	2.9
96.96021	91.9
96.96996	4.8
97.93111	1.6
99.00867	1.5
101.02446	6.1
109.02975	1.1
113.02460	4.1
113.92624	2.4
114.93414	12.5
119.03508	1.2
124.81228	1.1
135.04543	2.4
137.02376	1.3
140.45564	1.0
148.05312	16.0
149.06097	2.2
150.06880	7.3
161.04576	1.9
161.34097	1.1
163.07668	18.9
164.08359	1.5
173.04579	3.1
179.03458	1.1
179.10782	3.5
183.13943	10.4
191.05573	3.5
195.13930	11.7
213.14977	100.0
214.15303	4.9
253.09303	25.2
327.05270	1.5
329.17630	1.2
335.80518	1.2
423.10138	1.8
428.70932	1.1
449.23312	2.6
473.29291	2.9
509.16516	3.0
509.24438	2.3
509.34296	10.3
519.92249	1.4
531.03918	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	510.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02481	0.9
61.47200	0.7
61.98573	0.8
61.98833	4.8
69.67067	4.6
70.97472	0.8
79.24355	0.8
86.38628	0.8
98.19942	0.9
109.02964	1.4
121.03018	1.0
125.02445	1.1
133.02966	9.7
135.04520	1.4
147.04457	1.0
149.02440	1.8
151.04013	1.3
160.04468	0.9
161.02446	1.8
163.00449	1.7
163.04044	3.1
165.01962	2.6
173.02362	0.9
175.04004	2.6
191.03491	2.3
199.04021	0.9
201.02010	1.2
213.05469	1.1
217.85159	0.8
233.75386	0.8
253.05081	1.1
255.06744	1.1
269.04639	1.1
284.03247	9.7
285.03964	6.5
297.00967	0.5
297.04071	17.2
298.04776	7.1
299.05634	20.8
300.06070	1.1
309.04117	1.2
311.05658	3.4
324.02661	1.0
325.03494	1.3
327.05124	100.0
328.05423	5.0
339.05042	4.4
357.06198	25.8
358.06711	2.1
369.06268	2.9
393.06253	1.5
447.09354	83.6
448.09662	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	510.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98836	10.1
69.46771	1.6
69.47164	4.9
75.93708	0.7
83.01396	0.7
85.02950	0.9
93.03484	1.5
96.95982	0.9
98.20620	1.5
101.02428	1.8
107.01406	0.8
109.03026	0.9
110.36898	0.7
120.99664	2.2
122.94530	0.7
133.02962	3.1
134.03755	0.7
135.04572	1.3
149.02502	1.0
151.00371	2.6
153.58478	0.7
161.04588	1.1
161.88977	0.7
173.04561	1.1
175.04021	1.7
199.04008	0.8
201.01888	0.9
227.03664	0.8
256.03836	2.5
284.03287	47.1
285.04068	93.2
286.04385	4.3
297.03970	1.7
299.05612	1.1
327.05106	7.5
357.06268	1.5
447.09363	100.0
448.09662	7.4
451.33051	2.0
509.23935	1.4
510.16983	1.0
510.24374	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	511.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
61.76000	0.2
61.98838	18.4
70.31494	1.0
71.01386	1.1
72.99313	0.5
74.02473	0.3
77.21687	0.3
78.98593	0.2
79.95763	0.3
80.96526	1.2
81.95293	0.3
85.02985	0.5
87.00883	0.4
89.02479	0.4
93.03446	0.6
94.98093	0.5
96.96044	1.8
98.20552	0.3
98.95618	1.7
99.92600	13.4
100.92704	0.5
100.93405	0.8
101.02449	0.6
103.00364	0.7
108.02158	0.3
111.04562	0.3
114.94947	0.3
115.92096	23.6
116.92878	100.0
117.92903	3.7
125.02415	0.5
135.04527	0.3
137.02457	0.6
140.92892	0.6
141.93710	0.3
142.94432	1.7
148.04294	0.3
148.05298	1.5
148.99017	0.3
150.06894	0.5
156.92386	0.3
158.93956	0.6
163.07683	1.4
168.00627	0.3
173.04584	0.7
174.93382	0.7
179.03615	0.3
184.91864	0.7
184.95474	0.6
186.93410	0.5
191.05649	0.7
196.95520	0.6
213.15030	1.3
214.15363	1.0
231.98465	0.5
242.96059	1.2
278.99713	0.8
284.97177	0.4
285.97806	0.3
389.03397	0.5
407.04343	2.1
408.04785	0.4
425.05518	2.5
437.05420	0.5
449.05750	1.4
467.06522	2.8
475.03455	1.4
493.04514	0.3
510.35440	0.8
511.05627	5.9
511.18066	2.2
512.05847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98939	0.3
57.03457	90.2
58.03798	1.2
59.01388	28.6
59.17514	0.3
60.01712	0.3
61.98839	1.3
70.70898	0.9
71.01394	1.1
72.11504	0.3
80.37847	0.3
81.03469	2.7
83.01400	0.5
85.02973	0.5
93.03491	0.7
96.96046	0.4
99.04533	100.0
100.04852	1.6
101.01795	0.5
101.02460	10.1
108.02202	0.3
121.02928	0.3
125.02464	42.8
126.02811	0.8
128.65100	0.3
133.02975	0.6
134.03778	0.7
135.04561	1.0
137.02466	0.7
143.03526	0.8
147.04488	0.3
148.05327	89.4
149.05638	2.8
153.01842	0.4
161.02455	1.1
163.07672	87.5
164.07982	2.9
173.04622	0.8
179.10625	0.3
191.05612	0.6
276.54144	0.3
511.12616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92190	0.3
54.44914	0.3
56.75206	0.3
59.01392	1.1
61.98837	100.0
68.98944	0.3
69.47651	0.3
70.30372	0.4
70.30728	1.1
71.01369	0.4
73.02930	0.4
75.51835	0.3
79.67892	0.3
81.39492	0.3
89.34262	0.3
91.16874	0.4
98.19852	0.5
128.33897	0.3
135.04652	0.3
173.04584	0.5
191.05746	0.5
214.71767	0.3
512.19086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
57.03457	2.0
58.85912	0.9
59.01386	5.6
61.98824	3.9
62.75174	0.7
64.81526	0.8
68.99813	3.5
69.03449	1.7
69.45522	2.8
69.45934	3.2
71.01382	4.5
71.90298	0.8
72.99313	1.7
73.02940	2.5
75.00874	1.3
82.17301	0.9
83.01386	2.1
85.02964	10.1
87.00874	3.8
89.02450	1.5
93.03442	2.6
95.01373	1.7
96.61048	0.8
96.96014	3.1
99.00887	7.3
101.02442	3.1
108.02149	1.1
109.02954	2.7
111.00885	3.1
113.02457	9.1
113.98838	1.2
113.99601	19.0
115.00392	10.3
117.03460	2.5
125.02437	1.3
127.00423	4.6
129.01950	5.8
133.02943	1.3
134.03760	23.4
135.04605	4.1
137.02359	1.4
139.00423	1.7
141.01967	1.8
147.04395	1.0
148.05312	4.8
149.06076	3.8
155.03561	1.0
157.01430	6.1
160.01643	2.0
161.02467	4.0
161.06055	1.1
162.03297	4.3
163.03983	1.1
163.07607	1.1
164.04782	1.1
169.01453	2.3
170.72554	0.9
173.04520	3.5
174.01717	18.9
174.03207	1.9
175.02400	3.2
175.04021	2.7
176.04726	1.3
177.05583	6.1
187.04002	1.2
188.04735	1.4
189.05559	2.4
191.05595	1.9
193.05060	10.5
204.04295	1.9
207.06612	6.2
219.06689	1.6
223.06177	1.8
231.06670	1.1
232.03679	1.1
247.06105	4.8
249.07706	2.4
251.03262	1.4
251.05637	19.4
252.05983	1.3
254.08405	1.1
277.05646	42.0
278.05890	2.1
285.07602	2.0
289.07056	2.6
291.05191	6.8
291.40594	1.2
303.08865	1.4
307.08167	1.1
337.07788	92.3
338.08435	4.6
339.05103	3.2
340.93884	0.9
349.09354	1.7
351.07141	3.2
453.10352	5.1
454.10425	1.0
513.12482	100.0
514.12689	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	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.8
61.98843	2.1
68.99834	2.1
71.01392	7.1
71.14932	1.1
72.99313	1.2
75.00895	1.0
79.93891	0.9
83.01395	3.2
85.02962	5.1
87.00882	3.0
89.02465	1.8
93.03465	1.1
95.01405	1.2
96.19145	0.9
96.96008	1.6
99.00897	2.9
99.04557	0.9
101.02442	2.5
108.02216	2.4
109.02930	1.9
111.00906	3.0
113.02462	4.1
115.00387	2.0
119.03517	1.1
123.00918	1.5
123.04535	2.1
124.01643	2.1
129.01920	1.6
131.05013	1.9
133.02965	2.4
134.03755	10.7
135.04544	2.9
136.05287	2.3
139.04037	1.1
145.02931	1.5
147.04572	1.0
148.01698	0.8
148.05328	21.2
149.02484	1.1
149.06100	2.0
150.03221	1.2
153.01897	1.3
158.03745	1.1
159.04585	1.5
160.01633	4.1
160.05316	2.2
161.02455	7.2
162.03242	21.5
162.48778	0.9
163.03992	2.8
163.07629	2.7
164.04813	6.2
166.02707	1.1
172.05325	1.3
173.04614	1.7
173.06061	1.6
174.03189	2.0
175.02521	3.9
175.04022	10.3
176.01135	2.9
176.04790	2.3
177.02002	1.7
177.05585	27.9
178.05948	1.0
179.03514	1.2
179.07089	1.0
184.05301	0.8
186.03226	1.7
187.04041	2.3
188.04779	3.0
189.01994	1.7
189.05629	1.0
190.02817	2.0
191.03552	1.5
191.05598	2.1
191.07178	5.1
193.05042	1.1
194.02222	3.3
195.06659	5.6
200.04744	1.8
201.05608	2.6
202.06386	1.0
203.03503	2.0
203.07210	1.0
204.04234	3.9
205.05037	1.9
207.06647	14.1
212.04776	2.8
213.05492	1.5
214.02821	1.7
215.03461	1.6
216.04291	2.4
217.05089	2.5
218.05725	1.2
219.06627	4.7
221.04465	1.9
223.06192	4.3
227.03516	1.3
228.04243	1.4
229.05017	3.6
230.05795	2.5
231.06729	2.8
232.03796	6.0
233.04677	2.3
233.08218	2.9
234.05211	2.2
235.06128	3.0
243.06735	1.6
245.08087	5.3
247.03731	1.9
247.06128	26.2
248.06650	1.3
249.07756	10.9
251.05630	100.0
252.06146	5.4
256.03784	1.1
259.06131	3.5
261.07733	2.0
263.09229	3.5
271.06171	5.3
285.07681	9.7
285.41010	0.9
287.09067	0.9
289.07214	12.1
291.05145	34.0
291.08371	1.4
292.05460	1.2
299.09232	1.0
301.07211	1.2
303.08798	6.2
307.08240	8.0
331.08383	1.0
337.07745	5.5
339.05005	1.7
349.09277	8.5
351.07257	13.3
352.07190	1.0
409.11267	1.3
469.13464	4.3
513.12219	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	513.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43209	5.4
53.90746	5.1
56.70726	5.9
56.89326	6.4
59.01386	44.9
60.95766	6.0
61.98840	17.8
69.30021	44.4
69.30434	11.9
71.01382	53.6
74.99074	5.9
80.91705	5.8
81.03482	7.8
83.01403	9.4
84.43796	5.4
85.02962	23.8
89.02454	48.0
93.03482	19.4
96.96033	15.8
99.00885	13.0
101.02458	14.6
108.02202	11.8
109.02971	14.4
111.00903	7.7
113.02446	9.9
113.99591	9.3
115.04012	10.5
116.97216	6.0
124.02926	6.5
125.02454	23.4
129.01993	9.4
134.03775	7.7
135.04532	26.5
136.99138	6.6
137.02492	6.8
138.01968	8.1
152.01184	7.0
153.01932	16.3
161.02473	12.1
173.04550	20.5
179.03511	11.4
189.05600	9.7
191.05643	37.0
193.05003	13.5
195.08144	6.5
223.07732	6.5
233.06812	30.5
267.06613	7.8
277.05377	11.9
293.08817	100.0
295.06207	14.3
308.09021	9.1
315.07108	12.7
321.03986	7.2
337.07828	25.1
339.05075	89.8
339.08963	7.6
351.09964	6.5
477.16290	21.9
513.11523	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42923	1.5
57.03455	97.2
58.37614	1.5
59.01385	79.7
61.98819	6.3
64.59238	1.5
69.75237	1.5
70.90755	2.8
71.01385	18.2
73.02957	13.2
78.98620	3.3
79.95741	8.3
80.96522	44.2
81.03445	5.8
83.01383	5.6
85.02961	7.2
87.00880	3.3
89.02470	1.8
93.03456	1.7
94.98093	14.0
95.01354	2.5
96.96017	6.6
99.00926	1.7
99.04527	82.6
101.02454	26.2
106.98091	2.5
111.32056	1.5
113.02439	5.2
122.97578	4.1
125.02447	42.7
131.03490	1.6
134.97612	2.9
136.99118	2.2
143.03529	1.5
148.99139	3.0
152.98637	6.8
155.03532	2.0
161.04590	2.9
164.98642	6.1
182.99498	2.6
191.05669	3.6
203.05650	2.0
213.14966	3.1
225.00754	14.1
243.01759	1.7
273.20392	1.5
278.17960	1.4
282.72269	1.4
299.04297	2.9
513.20123	100.0
514.20441	7.3
517.67950	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	513.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
57.03198	5.3
57.03456	78.5
59.01116	6.0
59.01390	100.0
61.98833	11.9
69.25648	12.2
69.26071	24.8
71.01408	23.7
73.02953	13.6
80.96515	17.8
83.01391	20.9
85.02953	14.1
89.02440	7.8
90.05973	4.1
93.03459	5.0
96.96014	14.2
99.04533	82.5
101.02457	30.7
111.00888	4.2
113.02441	13.1
119.03471	4.2
119.05096	3.8
120.99106	4.5
121.02924	4.4
125.02446	32.9
134.03810	4.6
135.06615	4.1
137.02397	5.4
143.03522	6.2
148.05305	17.0
155.03574	5.6
163.07704	9.4
173.04532	10.5
191.05609	7.8
235.09084	3.6
256.06345	3.9
263.07440	11.5
311.09293	3.8
377.11404	4.5
435.13004	9.6
475.10300	4.0
513.19946	25.4
513.27832	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	513.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	50.3
59.01386	37.0
61.98830	1.7
63.96241	1.0
69.03460	1.4
69.33066	6.2
71.01385	10.6
73.02959	8.0
74.95468	0.6
78.38530	0.7
78.98610	3.7
79.95748	8.1
80.96526	51.7
81.03462	2.7
83.01395	2.5
85.02974	4.0
87.00898	3.3
89.02455	1.5
89.06134	0.7
94.98101	12.6
95.01377	0.9
96.96017	2.6
97.02993	1.1
99.00935	0.9
99.04530	40.3
101.02453	14.7
106.98131	2.3
109.36301	0.7
111.00900	0.8
113.02466	2.9
121.02911	0.8
122.97598	4.6
125.02470	18.5
127.04048	1.2
131.03540	1.1
134.97601	3.2
135.04530	0.8
136.99171	1.1
137.02461	0.8
143.03488	1.3
146.05409	0.7
148.99161	4.5
149.00211	0.9
152.01213	0.7
152.98669	5.8
155.03528	0.8
161.04572	1.8
163.04005	1.1
164.98654	10.6
173.04539	1.8
182.99669	1.4
191.05617	2.0
195.13943	1.3
203.05580	1.1
206.99643	1.9
213.14967	1.7
225.00751	16.5
243.01813	1.7
251.07271	1.1
299.04492	3.3
513.20142	100.0
514.20380	6.6
539.78229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74700	0.5
59.01383	9.3
61.98835	2.7
63.96244	0.9
68.46286	0.5
69.03480	0.6
69.95573	0.5
71.01387	10.2
73.02968	1.5
78.98602	6.3
79.95745	9.2
80.96523	56.6
81.03470	1.2
83.01375	1.1
85.02959	4.7
87.00882	3.6
89.02450	2.7
91.38557	0.5
93.03469	1.0
94.98093	14.6
95.01381	1.0
96.96013	4.8
97.02956	1.6
97.03973	0.5
97.06664	0.7
99.00902	1.1
99.04542	2.2
101.02454	5.1
106.98097	2.5
111.00884	0.9
113.02457	1.7
116.54584	0.6
119.03537	0.6
122.97595	2.7
123.00915	0.8
124.01675	2.0
125.02448	5.8
127.03986	0.7
134.97585	4.3
135.04565	0.7
136.99159	1.3
137.02507	0.7
143.03468	0.6
148.99139	5.2
149.99582	1.5
151.21590	0.5
152.98627	5.6
157.30736	0.5
161.04556	1.0
163.04041	0.6
164.98640	11.5
165.99011	0.5
167.00169	0.7
168.00641	4.7
173.04584	1.1
178.41057	0.5
183.14015	0.6
185.38326	0.6
187.11177	0.5
188.98665	0.8
190.97906	0.5
191.05692	0.9
195.13876	0.8
206.99750	1.9
213.15036	2.2
225.00752	15.2
245.06488	0.9
299.04562	3.1
313.92252	0.5
317.05652	0.6
409.15305	0.9
425.12717	3.5
513.20288	100.0
514.20618	9.2
537.65106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61079	0.6
57.29423	0.5
59.01369	0.9
65.85577	0.7
68.43460	0.6
78.95913	50.2
96.96001	0.9
96.96981	5.4
136.52443	0.6
147.34958	0.7
150.97954	1.4
152.99602	100.0
160.71269	0.7
160.96211	0.7
170.41966	0.7
171.00690	4.1
252.99974	0.7
253.09267	1.1
268.67526	0.7
277.21790	6.2
355.92984	0.6
416.68646	0.6
431.22067	20.3
432.22278	1.3
450.47162	0.7
468.24033	0.7
484.68512	0.7
513.26782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03461	0.2
58.00607	0.3
59.01384	6.8
70.71485	0.3
71.01387	5.0
71.54118	0.1
72.99331	0.3
73.02966	1.1
82.57330	0.1
83.01413	0.5
83.05049	0.1
85.02963	1.2
87.00887	0.6
89.02453	4.3
91.04020	0.1
95.01414	0.3
97.02985	0.2
99.00891	0.3
101.02457	4.6
111.00870	0.1
113.02461	2.5
115.03986	0.1
119.03503	1.1
125.02518	0.2
127.07623	0.2
131.03499	0.2
133.05077	0.1
143.03552	0.4
151.70844	0.1
152.99644	0.3
155.02795	0.1
161.04579	1.7
179.05667	0.6
221.10403	0.1
233.22789	0.4
235.08185	0.8
253.09305	16.7
254.09647	0.4
259.20599	0.3
275.20270	0.3
277.21735	100.0
278.22083	5.8
317.71106	0.1
408.07355	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03460	0.2
58.00617	0.3
59.01387	7.2
69.03477	0.1
69.20924	0.6
71.01392	5.4
72.01766	0.1
72.99306	0.3
73.02956	1.2
81.03484	0.1
83.01386	0.6
83.05041	0.1
85.02963	1.4
87.00877	0.7
89.02457	3.9
89.68861	0.1
91.04028	0.2
95.01406	0.4
97.02977	0.2
99.00883	0.3
99.83185	0.1
101.02460	4.4
102.02776	0.1
103.04028	0.1
111.00874	0.1
113.02474	2.2
113.06128	0.1
115.04026	0.1
119.03522	0.9
121.40032	0.1
125.02474	0.3
127.07673	0.3
131.03552	0.2
133.05092	0.3
143.03526	0.5
145.05090	0.1
149.04591	0.1
157.05115	0.1
161.04594	1.8
174.03224	0.1
179.05640	0.6
180.42532	0.1
182.13208	0.1
205.19608	0.1
214.79367	0.1
233.22775	0.4
235.08260	1.1
253.09312	15.4
254.09789	0.5
258.39359	0.1
259.20624	0.4
275.20187	0.4
277.21741	100.0
278.22089	6.3
278.25406	0.1
494.40762	0.1
522.87964	0.1
527.88013	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	514.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.01800	0.1
61.98836	100.0
62.98520	0.2
68.61591	0.1
69.27760	0.2
69.28163	0.9
89.59373	0.1
90.82006	0.2
93.03481	0.2
96.39573	0.1
96.90019	0.1
96.96040	0.2
116.92857	0.2
135.04546	0.3
136.04912	0.2
150.99365	0.1
160.68149	0.1
173.04637	0.2
179.03580	0.2
187.36949	0.1
191.05696	0.5
251.07216	0.2
323.05777	0.4
323.85480	0.1
353.09027	0.3
377.95551	0.1
380.13678	0.1
454.33676	0.3
463.69690	0.1
514.32886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30937	0.2
57.03437	0.2
58.79670	0.2
59.01391	1.1
62.86457	0.2
65.77289	0.2
68.04105	0.2
71.01385	0.7
79.95750	2.4
80.08856	0.2
84.43189	0.2
85.02962	1.3
85.48271	0.2
87.00915	0.2
89.02476	0.4
91.76836	0.2
93.03467	1.2
96.96021	100.0
98.19907	0.5
101.02438	0.3
107.04974	0.2
109.02969	0.4
111.04557	0.2
113.02457	0.4
126.75096	0.2
127.04025	0.3
133.02968	0.6
134.03734	0.4
135.04539	7.2
136.04854	0.3
137.02513	0.4
145.84320	0.2
147.04549	0.2
153.27669	0.2
155.03519	0.3
161.02501	1.2
173.04564	3.7
175.03940	0.3
179.03514	7.1
190.02731	0.3
191.05623	12.2
192.05902	0.3
223.06166	0.2
225.11473	0.2
229.08528	0.3
299.05432	0.2
309.12039	0.7
327.05292	0.5
335.07635	0.3
353.08804	9.2
354.09119	0.6
417.08289	1.1
515.11426	0.5
515.18005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01375	3.0
62.80512	0.8
63.25351	0.7
67.01901	2.1
69.44848	6.3
71.01387	4.3
71.05016	2.2
79.60261	0.8
81.03458	1.2
83.05024	1.7
85.02943	6.6
87.00881	2.5
89.02438	1.4
93.03457	13.1
96.96025	4.9
99.04526	1.4
108.02180	9.0
109.02958	77.5
110.03289	1.6
111.00857	2.1
111.04507	4.1
116.92817	1.1
121.02938	1.0
129.01959	1.3
133.02975	1.4
135.04536	27.5
136.04799	1.2
137.02458	1.4
138.05540	1.2
143.05042	1.5
145.02963	33.6
146.03688	2.8
146.08241	3.7
147.02945	1.3
151.04036	3.0
152.01152	11.3
153.01912	3.3
155.03539	5.7
159.04611	4.5
161.02478	13.8
161.04890	0.9
161.06091	24.1
173.04570	38.1
174.84537	0.9
175.04066	2.0
179.01918	1.2
179.03528	23.9
184.83473	1.1
187.04007	12.1
191.05624	19.1
191.38263	0.9
205.05029	3.9
209.06158	1.1
213.01880	1.4
231.03090	1.9
237.05611	3.1
239.03508	4.5
240.04195	2.2
253.04997	8.3
253.08904	1.0
254.05623	1.2
255.06625	11.7
264.04199	1.2
279.03140	2.3
279.06433	1.9
281.04578	29.5
282.05014	2.9
284.14334	0.9
297.07703	22.9
299.05774	1.2
323.05630	5.6
341.06659	100.0
342.07086	6.1
369.08377	1.1
515.11951	45.1
516.10089	1.5
516.17712	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	515.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01381	2.0
60.99311	0.6
63.62033	0.6
67.01900	3.5
69.39887	3.4
69.40297	1.2
70.20771	0.6
71.01382	2.3
77.82929	0.6
81.03460	0.9
83.05017	0.9
85.02958	5.9
87.00908	1.6
93.03469	22.3
96.96016	1.4
98.19912	0.9
99.04564	1.0
109.02937	1.3
111.00880	1.1
111.04523	5.0
116.46133	0.6
127.04053	1.3
133.02957	1.3
134.03760	2.8
135.04543	63.8
136.04866	1.5
137.02444	6.4
155.03539	5.4
161.02437	5.6
173.04562	97.0
174.04892	1.7
179.03516	64.0
180.03871	1.9
191.05627	45.9
192.05968	0.6
203.03503	3.8
203.77515	0.6
210.58272	0.6
237.58292	0.6
255.06630	0.8
273.57849	0.6
275.24710	0.7
299.05615	1.1
317.06732	1.2
353.08798	100.0
354.09247	5.3
515.11902	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	515.12
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
51.16979	0.6
54.57814	0.6
57.03436	0.9
58.32956	0.6
59.01392	2.1
67.01900	3.8
69.22588	4.3
69.23012	2.0
71.01395	2.6
73.02937	0.7
81.03482	1.3
83.05019	2.0
85.02953	5.5
87.00869	1.7
93.02879	1.4
93.03470	24.1
96.96022	1.7
107.05051	1.3
109.02963	1.6
111.00918	1.2
111.04537	8.9
127.04025	2.0
132.02116	0.9
133.02971	8.8
134.03758	4.8
135.04539	90.7
136.04877	2.0
137.02463	8.3
147.04550	1.0
155.03510	13.5
161.02463	29.4
162.02849	0.9
171.02991	0.7
173.04562	100.0
174.04965	2.3
179.03516	87.2
180.03860	1.8
184.68784	0.6
191.05635	61.3
191.52884	0.6
192.05980	1.8
203.03508	2.0
219.09447	0.6
225.70535	0.5
251.07040	0.8
253.44067	0.6
255.06717	1.6
297.07260	0.6
317.06686	0.8
323.05820	1.0
335.07761	14.6
335.11667	0.9
353.08798	88.8
354.09027	4.7
364.59448	0.7
379.75903	0.7
422.17578	0.7
515.11975	38.7
516.12231	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	515.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01375	4.6
61.33749	1.2
67.01904	5.2
70.68410	3.7
71.01382	4.2
79.95733	5.7
81.03472	1.9
83.04984	1.2
85.02962	8.1
87.00892	5.6
93.03469	39.1
95.95235	2.9
96.96017	24.0
98.19862	1.2
99.04517	1.9
101.02411	1.7
109.02966	59.0
111.00871	1.9
111.04537	6.8
127.04054	1.9
129.02072	1.6
135.04530	22.4
137.02481	4.5
143.04956	1.8
145.02971	26.0
146.03659	1.5
151.04047	2.4
155.03525	6.8
159.04523	4.5
161.02451	13.5
161.06081	19.4
173.04558	86.3
174.04919	2.3
175.03873	1.4
179.03500	20.6
187.04024	12.6
191.05632	56.7
205.05093	2.5
213.02016	2.8
214.02731	1.2
225.05618	1.8
227.07173	1.7
231.03120	2.2
237.05550	3.3
239.01245	1.1
239.03526	3.9
240.04306	5.0
253.05081	5.1
255.06670	9.3
263.03647	1.4
279.02963	3.2
279.06314	1.9
280.03610	1.3
281.04578	25.5
282.05051	1.6
295.06137	1.9
297.07669	16.8
323.05670	10.9
341.06683	73.5
342.06955	3.6
394.31287	1.3
515.12036	100.0
516.12305	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	515.1198
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
56.81399	0.5
57.03449	1.9
58.53167	0.5
59.01387	12.0
61.98832	2.2
67.01898	4.7
68.45522	0.6
69.03474	1.3
69.87135	2.2
71.01388	7.1
73.02955	1.6
81.03461	1.4
82.95448	0.9
83.01420	0.9
83.05023	1.6
85.02956	9.0
87.00900	2.0
89.02459	2.6
93.03469	25.6
95.01437	0.7
96.96027	2.1
101.02460	3.0
101.30811	0.5
102.02825	0.5
107.05040	0.7
108.02162	0.8
109.02971	2.5
111.00908	2.0
111.04525	5.5
113.02467	2.1
115.92131	0.6
119.03539	1.7
119.04992	0.8
125.02514	0.6
127.04015	1.6
129.01932	0.8
133.02988	3.9
134.03787	2.7
134.06133	1.6
135.04544	73.8
136.04872	2.4
137.02458	7.0
143.03571	0.7
144.68124	0.5
149.02460	0.6
152.01099	0.7
155.03532	5.7
161.02466	7.0
161.04524	1.3
162.02834	0.8
173.04568	99.1
174.04834	3.4
175.04042	0.5
177.01949	8.7
178.05107	1.0
179.03525	71.3
180.03896	3.1
191.05635	56.4
192.05946	1.8
203.03603	2.7
203.83144	0.7
277.56970	0.6
335.07672	1.6
353.08807	100.0
354.09171	7.3
443.11481	0.7
450.78503	0.6
471.22601	0.6
515.11957	1.4
515.28528	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	515.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15108	2.3
59.01389	41.1
61.72955	1.9
70.24619	5.3
70.24976	4.0
71.01388	34.8
72.99332	2.7
73.02957	11.7
75.00887	2.5
83.01408	2.0
83.05051	4.4
85.02968	12.8
87.00909	2.1
89.02459	46.4
93.03467	26.3
96.96023	2.5
96.96973	5.7
99.00908	3.4
99.04472	3.4
101.02457	20.9
111.00863	6.6
111.04527	11.3
112.98811	4.2
113.02464	16.0
119.03532	14.6
129.01950	4.3
135.04517	9.1
137.02429	7.1
142.99846	8.6
143.03506	4.9
155.03496	5.8
157.05132	2.0
161.04544	4.7
173.00883	5.7
173.04561	49.1
179.03516	9.2
179.05637	22.7
191.05612	8.1
201.76654	2.2
312.67966	2.0
341.10950	100.0
342.11481	2.6
515.14075	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	515.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39391	0.6
59.01391	2.3
61.80290	0.8
61.98818	0.8
64.94131	0.6
67.01891	2.3
69.03458	0.8
70.84353	0.6
71.01400	1.9
71.03638	0.8
71.03950	0.8
77.30727	0.6
77.66911	0.6
79.32005	0.6
79.95730	0.6
85.02949	5.2
86.62956	0.5
87.00903	2.5
93.03471	15.3
96.96006	5.6
107.05045	0.9
108.02166	0.6
109.02969	6.0
111.00887	2.1
111.04525	3.0
127.04025	2.0
129.57904	0.6
133.02986	1.7
134.03804	0.9
135.04541	63.5
135.67673	0.6
136.04869	1.4
137.02467	2.4
138.62093	0.7
143.05081	1.3
149.06082	2.9
155.03537	2.5
161.02461	8.7
161.06007	1.2
164.42993	0.6
164.61026	0.7
173.01086	1.2
173.04584	26.3
177.05585	0.9
179.03526	50.7
180.03908	1.9
189.05571	1.1
191.05638	100.0
192.06035	2.4
205.04947	0.6
207.06784	1.2
221.04518	1.4
235.06160	0.8
237.33072	0.7
239.05788	0.8
278.49323	0.7
281.04532	1.2
311.07904	0.8
317.61868	0.6
335.07657	1.3
341.08978	22.3
353.08743	13.5
354.08838	0.9
395.09833	13.1
407.09836	0.9
425.10794	2.8
455.12088	2.2
515.14014	26.4
516.14587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93786	0.3
70.47341	1.3
71.01402	0.8
81.16974	0.3
82.52050	0.4
83.05040	0.6
85.02957	0.7
93.03474	2.3
96.76711	0.4
96.96003	1.1
97.11475	0.4
107.05068	0.8
111.04536	1.8
127.04014	0.5
134.03720	2.9
135.04539	75.6
136.04900	2.2
137.02449	0.9
153.05621	1.0
155.03568	2.7
161.02437	0.6
173.04562	4.2
179.03513	100.0
180.03876	3.3
191.05621	7.6
218.24452	0.4
225.69394	0.4
281.04388	0.4
341.08731	9.0
353.08749	4.1
394.73669	0.5
515.14075	20.4
516.14301	1.4
536.08350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.01107	1.3
59.01387	18.2
60.99323	1.5
61.98832	3.3
64.21753	0.8
67.01901	7.5
68.73831	0.8
69.03455	1.8
71.01393	9.6
71.56997	1.3
72.99329	1.3
73.02968	3.3
78.75955	0.7
81.03458	1.4
83.05047	1.3
85.02965	6.4
87.00903	4.2
89.02469	1.8
93.03471	41.4
94.03812	0.7
95.01392	0.8
95.05051	1.0
96.96033	3.0
99.00887	1.9
99.04530	1.2
100.21580	0.8
101.02471	3.5
105.03464	2.0
109.02975	2.1
111.00882	2.0
111.04551	7.2
113.02454	2.9
119.03547	0.9
119.13573	0.8
123.49977	0.8
127.04027	0.8
129.01912	0.8
132.02113	0.9
133.02972	14.5
134.03787	1.8
135.04553	8.6
137.02461	7.1
148.05319	0.8
149.06067	0.7
155.03497	5.8
160.01662	0.9
161.02420	3.0
163.07692	1.9
173.04567	100.0
174.04910	2.6
176.23738	0.8
177.01942	7.0
178.02721	3.6
179.03485	5.3
188.07109	1.4
191.05630	55.0
192.05966	1.0
209.11888	1.2
280.61469	0.8
296.83859	0.8
323.09229	3.3
325.20163	1.4
341.10300	2.8
351.07285	2.8
353.08765	1.3
409.87982	0.8
497.27448	1.0
515.14838	4.6
515.28540	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	515.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69112	1.2
55.01900	1.5
57.03437	2.7
59.01389	20.1
59.89604	1.1
59.89922	1.3
61.35070	1.3
61.74458	1.7
65.03951	2.1
69.35641	8.1
69.36047	2.6
71.01392	18.7
71.05007	1.5
73.02961	20.4
73.72933	1.2
80.28633	1.3
81.03473	2.0
83.05042	8.0
84.04623	1.2
85.02976	8.4
87.00885	1.7
88.04014	1.8
89.02451	23.7
93.03471	58.8
98.19891	2.5
98.46275	1.4
99.00885	7.2
99.04520	5.9
101.02449	9.4
102.05614	2.7
109.03004	1.4
111.00890	3.8
111.04529	21.4
113.02441	6.7
115.26608	1.2
119.03519	7.0
129.01938	2.0
130.05138	2.6
131.03490	1.8
134.03822	1.8
135.04547	22.5
137.02460	15.4
143.03474	6.5
155.03532	10.9
161.04541	2.2
172.06067	1.9
173.04565	100.0
179.02078	2.3
179.03493	25.2
179.05595	14.6
191.05617	11.8
341.10983	62.1
342.11261	3.9
515.13947	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	515.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	63.2
61.98846	2.4
69.48932	1.5
70.93464	1.3
71.01385	5.9
71.55776	2.5
85.02954	2.6
96.95994	2.5
101.02485	2.6
113.02480	5.5
113.54279	1.4
121.10275	15.2
142.97989	1.8
171.10292	22.3
173.04562	2.2
177.16432	2.1
183.53481	1.4
185.11816	2.0
191.05707	1.4
204.18930	1.4
216.80916	1.3
218.69023	1.6
275.20181	52.4
276.20511	3.8
293.21259	100.0
294.21542	6.4
353.08871	1.6
515.30133	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	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.3
57.03474	0.1
58.00620	0.2
59.01384	5.4
67.26621	0.1
69.03484	0.1
69.89360	0.1
70.28921	0.1
70.29266	0.3
70.85368	0.1
71.01389	3.7
72.99329	0.2
73.02958	0.9
73.03299	0.1
75.00909	0.2
77.34209	0.1
81.03519	0.1
83.01383	0.5
85.02972	0.9
87.00892	0.6
89.02451	3.5
90.02778	0.1
91.04034	0.1
95.01405	0.4
97.02949	0.1
99.00928	0.2
101.02455	4.1
103.04089	0.1
113.02460	1.8
115.04004	0.1
119.03525	0.9
125.02437	0.2
131.03496	0.1
131.69626	0.1
133.05087	0.3
143.03514	0.4
157.05109	0.2
161.04570	1.4
179.05615	0.6
235.08257	0.9
253.09306	14.0
254.09470	0.3
261.22394	0.4
264.57419	0.1
279.23300	100.0
280.23651	5.1
288.72052	0.1
293.25034	0.1
296.56873	0.1
386.42960	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
55.01898	0.3
57.03460	0.1
57.60975	0.1
58.00620	0.2
59.01384	5.9
69.03490	0.1
69.36664	0.6
69.37067	0.1
71.01389	4.4
72.99337	0.1
73.02947	0.8
78.95917	0.6
83.01412	0.6
84.78387	0.1
85.02966	0.9
86.00116	0.1
87.00887	0.6
89.02454	3.4
91.04064	0.1
95.01427	0.4
97.02998	0.2
98.20618	0.1
99.00935	0.3
101.02455	4.3
103.04005	0.1
113.02460	2.0
115.04047	0.1
119.03518	1.1
125.02455	0.1
129.01988	0.1
131.03528	0.2
133.05072	0.2
143.03545	0.4
152.99619	0.9
157.05086	0.1
161.04568	1.5
173.04684	0.1
179.05614	0.5
235.08247	0.8
253.09311	14.1
254.09650	0.3
261.22174	0.4
279.23303	100.0
280.23645	5.9
376.41223	0.1
433.23453	0.3
441.33597	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	516.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12868	1.2
56.23976	1.1
57.03450	4.5
59.01119	1.9
59.01388	25.8
61.98827	1.9
64.04507	1.1
69.33344	2.4
69.33744	8.4
71.01393	15.4
72.23932	1.2
73.02953	3.4
75.00858	1.8
83.01414	1.5
85.02960	4.7
87.00892	6.5
89.02456	9.4
91.01884	2.2
92.05083	7.9
93.03435	2.3
96.96002	6.6
99.00933	1.9
99.04515	4.5
101.02464	8.1
111.00904	1.7
113.02473	6.2
116.05071	2.9
118.02985	6.7
119.01384	5.2
119.03496	3.2
120.04557	4.0
121.02974	10.5
125.02448	3.2
131.03734	4.6
132.02158	1.3
132.04562	14.7
133.70506	1.2
134.06116	1.7
135.04524	5.2
144.04584	10.6
146.02505	36.7
146.06120	2.2
147.00876	3.7
147.03308	33.0
147.04482	4.6
148.04051	8.8
149.02467	57.4
150.02916	1.4
152.01180	3.7
158.06122	2.4
159.03278	2.2
160.04060	75.1
161.04541	3.2
162.03217	2.0
163.04008	12.0
164.04814	47.2
164.73605	1.2
165.05380	1.7
169.05066	1.6
172.04111	5.6
173.02438	1.3
173.04645	2.6
174.05635	9.8
175.00386	26.2
176.01041	2.9
177.05553	2.8
179.02206	3.6
179.03609	1.9
179.05759	1.7
179.07161	7.4
184.82780	1.2
185.04843	1.8
186.05583	3.8
188.04828	1.2
190.02736	70.3
191.03528	14.0
191.05298	2.4
193.01392	3.3
202.05098	14.6
203.07060	2.2
205.05077	82.8
206.05806	14.2
207.03044	5.4
208.03810	14.5
209.04439	2.3
214.05118	2.9
221.08173	13.9
222.05351	2.3
223.06139	100.0
224.06409	4.0
235.02290	2.3
237.07750	7.0
247.06219	1.3
250.04855	5.7
265.07220	36.9
266.07544	2.5
269.95117	1.2
290.91574	1.2
292.08371	6.8
295.08270	8.8
310.09360	69.3
311.09720	3.9
324.10834	2.1
324.57977	1.3
325.03571	1.4
325.09293	6.9
337.09476	2.3
340.16013	1.2
367.10104	1.7
516.15106	90.3
517.15411	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	516.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01388	2.6
61.98848	1.0
69.26668	0.5
70.03010	1.0
71.01391	7.6
71.05030	9.2
71.56569	0.6
73.02972	1.1
81.03477	1.1
85.02946	5.8
87.00881	1.1
88.04044	5.8
89.02452	1.2
90.02946	0.5
90.88823	0.5
93.03466	4.4
94.03812	0.8
96.96030	1.7
99.04552	3.8
101.02473	1.2
107.05090	0.6
108.02190	32.4
109.02973	22.6
110.03294	3.7
111.00884	0.6
111.04533	1.0
113.02464	1.2
116.07208	1.4
121.02971	1.4
123.04570	1.1
133.03014	0.9
134.03790	1.1
135.04533	5.9
136.04884	1.6
137.02507	0.7
143.18187	0.7
145.02956	3.6
146.03369	2.2
146.08257	13.4
149.06165	0.7
151.04028	2.1
152.01172	41.9
153.01970	14.4
155.03534	1.2
160.01724	1.5
161.02483	1.8
161.04703	0.6
161.06139	2.4
162.02797	1.0
162.06499	1.2
163.03998	2.9
165.01970	1.0
173.04564	5.5
174.04915	1.5
175.04053	2.6
177.01982	0.6
179.03502	3.7
180.03850	1.6
188.04680	0.6
191.02007	1.6
191.05618	6.3
191.07115	0.6
192.06035	1.7
193.05086	1.6
205.05064	1.4
209.03046	1.7
218.10388	2.6
235.06102	0.7
235.42776	0.7
240.04143	0.6
253.05032	1.0
254.05403	0.6
256.07098	1.3
265.07373	1.1
281.04645	2.1
282.04813	3.0
297.05927	1.1
298.08072	3.0
315.07449	2.4
337.09317	1.1
341.06775	3.8
342.06995	10.7
343.07797	0.8
369.08252	5.3
410.36520	0.6
425.28879	0.6
457.01736	0.6
516.17468	100.0
517.17786	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	517.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
58.00573	1.1
59.01385	13.2
61.45636	1.0
67.01886	1.3
69.47987	1.0
69.99837	1.0
70.82845	1.7
70.83196	2.1
71.01389	15.8
72.99332	1.1
73.02940	2.7
73.31506	1.0
75.00875	1.3
78.95933	1.2
83.01380	2.5
85.02959	18.3
87.00890	10.5
89.02446	5.3
93.03445	4.5
96.96014	4.4
99.00874	3.5
101.02426	5.4
103.84072	1.3
107.05030	1.3
109.02970	6.6
111.00902	3.1
113.02445	3.9
115.00386	17.5
119.03540	1.8
119.05025	3.6
121.02979	2.0
127.00362	2.2
129.01952	1.8
131.03517	1.2
133.02917	1.1
134.03751	4.6
135.04541	100.0
136.04861	3.5
137.06081	3.4
139.00365	2.7
147.04498	1.5
149.06087	7.4
157.01437	9.0
159.04527	3.4
161.02414	4.6
161.04720	1.1
161.06116	2.5
163.04028	2.8
173.02374	1.7
173.04584	7.4
173.05830	1.2
175.02472	43.3
175.04004	19.7
176.02969	1.5
176.04669	1.1
177.01926	1.8
177.05574	1.5
178.02615	5.7
179.03511	16.1
180.03864	1.6
181.05219	2.6
186.98848	1.1
187.03961	2.6
189.01994	1.6
189.05540	1.9
190.02609	1.6
191.01952	2.9
191.03568	3.5
191.05597	22.3
192.05972	1.9
193.05087	5.7
201.05626	1.9
203.03525	27.0
205.05052	3.1
206.02287	7.1
214.06491	1.2
215.03470	3.9
217.05231	2.0
219.03004	5.8
220.03737	3.7
221.04558	40.7
226.06378	1.4
227.07170	2.1
233.04556	6.8
237.04085	5.8
245.04486	2.1
247.02460	2.2
247.06143	1.5
255.10294	7.2
257.04340	1.2
258.46439	1.0
265.03561	24.5
275.05658	6.1
277.03510	3.2
287.91904	1.1
289.05557	1.2
293.06729	19.8
299.09140	1.4
319.04413	1.3
337.05106	22.6
338.05905	1.8
343.08298	6.2
355.06607	4.8
455.11942	3.0
499.11081	6.1
517.11963	33.3
518.12927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12300	1.5
55.01868	2.8
57.03455	7.0
58.00589	2.3
59.01387	100.0
60.01717	1.4
61.98828	8.8
67.01898	1.5
68.99831	1.4
69.03462	4.3
69.26843	2.7
69.27252	8.8
71.01005	2.5
71.01390	41.4
72.99332	3.2
73.02959	9.6
75.00875	1.5
75.59084	1.3
81.03494	2.6
83.01380	6.2
85.02962	54.6
87.00884	8.8
89.02454	23.0
91.01907	9.4
92.46722	1.6
93.03468	15.6
95.01412	5.2
96.42901	1.3
96.96049	2.1
97.02978	8.4
98.20753	1.3
99.00879	8.7
101.02452	31.1
105.01923	3.6
107.05038	2.1
108.02208	1.5
109.02938	1.8
111.00861	7.2
111.04483	1.5
113.02461	20.4
119.01386	4.1
119.03510	10.0
119.05006	3.6
121.02974	13.1
125.02455	23.3
126.48080	1.3
129.01938	4.1
131.03519	5.2
133.02982	2.2
135.04533	11.5
136.04968	2.1
137.02469	15.6
141.01973	2.9
143.03508	12.9
145.02959	2.5
147.02994	5.2
147.59914	1.5
149.04556	4.5
151.04031	69.5
152.04364	1.8
155.03566	2.8
161.02472	5.1
161.04599	7.0
163.04018	5.1
165.04082	14.8
167.03516	1.6
173.04556	13.1
173.05919	2.1
174.04895	2.2
175.03900	2.0
179.03442	8.6
179.05634	2.1
180.03976	2.3
190.02840	1.7
191.01967	16.2
191.05643	20.5
192.05989	1.8
193.03458	1.5
203.05550	2.1
205.05034	1.8
209.02974	8.5
219.02953	7.3
221.06651	3.0
245.04527	1.8
245.06703	19.0
255.10246	2.0
263.05356	2.6
263.07849	11.3
287.07861	2.7
293.09116	1.8
305.08560	1.6
325.07166	5.8
335.01923	1.3
355.06436	3.3
356.00845	1.6
365.10938	3.0
374.95340	1.6
387.24640	1.6
415.15997	3.6
457.16968	1.7
481.13669	1.9
517.13000	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	517.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40830	3.2
55.01881	4.0
57.03454	10.8
59.01390	43.5
69.69022	13.8
71.01388	40.8
71.40816	2.6
72.99304	6.3
73.02955	9.8
75.00858	4.3
83.01390	5.8
85.02966	100.0
86.03328	3.5
87.00898	8.3
88.98808	3.5
89.02459	23.1
90.26157	2.9
93.03480	16.8
93.50259	2.9
96.96001	6.3
97.02954	2.8
98.19898	6.0
99.00876	4.6
100.13010	2.9
101.02466	27.2
102.76473	2.7
105.64188	3.3
109.02936	3.2
113.02476	21.3
119.03495	2.7
119.05029	6.1
121.02982	7.3
123.04488	4.3
129.01959	6.6
131.03510	11.1
132.02232	8.1
134.03784	13.9
135.04552	26.9
137.02472	9.0
147.02956	3.9
147.04573	5.0
149.02470	29.1
149.06096	8.8
152.01048	3.3
155.03560	4.9
160.01688	24.4
161.02469	6.6
163.04025	10.7
164.04840	29.5
165.05412	3.6
173.04620	26.4
175.00395	15.9
175.03998	42.1
179.03510	10.6
179.07170	11.2
190.02745	48.2
191.02054	26.9
191.03583	11.1
191.05644	52.4
191.07207	3.1
192.06041	2.9
193.03609	3.1
193.04991	15.3
205.05081	50.6
206.05800	18.3
207.02988	7.0
208.03752	5.0
209.03024	48.1
209.04768	2.7
209.11815	12.0
218.48370	2.9
221.08244	18.4
222.05415	3.7
223.06133	43.1
235.05981	7.7
237.07716	9.6
247.06148	5.5
250.04839	6.6
253.09286	5.7
255.10289	8.8
265.07199	65.2
279.14166	3.1
281.08112	5.0
295.08209	22.6
299.09039	8.3
311.09933	24.1
325.09485	26.0
337.09296	8.2
343.07712	3.3
343.21280	3.3
355.06479	5.0
367.10327	4.8
385.11258	7.7
427.12451	37.7
437.20096	3.1
514.35114	3.4
517.15240	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
59.01389	100.0
61.98819	2.8
67.01896	2.2
69.42462	11.6
71.01390	18.9
72.99330	1.9
73.02944	4.9
75.00871	1.5
85.02963	37.7
87.00896	4.1
89.02447	15.7
93.03481	9.2
95.01377	2.1
96.96005	9.1
98.95596	7.0
99.00882	5.2
101.02452	15.6
109.02979	3.7
111.00903	2.9
111.04559	2.5
113.02461	8.1
119.03516	3.8
119.05038	2.8
125.02450	4.6
129.01947	4.1
131.03516	13.9
133.02861	2.0
135.04553	19.2
136.04857	8.7
137.02400	3.8
137.05048	2.1
143.03508	1.4
147.02997	5.1
149.04594	7.8
149.05646	1.8
151.03967	4.9
155.03479	2.0
161.02432	6.2
161.04591	3.5
163.04028	2.5
164.04753	1.9
173.04607	21.5
174.04880	7.8
175.05034	4.6
176.61200	1.5
179.03535	19.1
180.03839	7.8
181.03993	4.6
191.01974	17.3
191.03551	1.9
191.03888	2.3
191.05627	27.7
192.05974	5.6
193.03577	8.4
193.06071	2.8
205.05002	1.5
209.02962	7.5
214.17336	1.6
219.03001	4.9
233.06792	1.6
237.09216	1.7
241.05037	3.8
255.10339	2.4
259.27734	1.7
271.09732	5.8
281.07980	1.4
288.72318	1.6
325.06937	6.4
337.08398	1.6
353.08795	3.5
354.09018	6.9
355.09909	8.5
397.15009	6.1
415.16022	9.2
440.18344	1.6
457.17270	2.9
517.00763	4.8
517.12329	8.2
517.19586	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.0
58.00603	3.7
58.03000	2.1
59.01388	100.0
61.98852	2.2
69.03452	5.1
70.38821	5.1
71.01391	73.4
71.89326	1.4
72.99308	3.5
73.02957	8.7
74.02477	6.5
75.00864	2.1
78.95929	1.8
79.95741	1.7
81.03463	3.8
83.01403	6.2
85.02969	27.9
87.00896	3.6
89.02455	77.0
93.03461	4.5
95.01383	3.1
96.96040	18.8
96.96964	2.9
97.02966	7.4
98.19851	2.0
99.00892	4.2
99.05655	3.2
101.02453	28.5
107.08876	1.4
111.00892	3.8
113.02461	17.6
116.92935	1.6
119.03541	9.3
119.05028	2.2
125.02462	26.0
128.03577	10.4
129.02003	2.4
131.03532	17.4
134.03735	4.2
135.04544	42.7
137.02432	2.3
143.03520	4.4
143.04643	13.8
148.05331	36.5
149.04584	22.5
149.05695	3.4
152.07082	1.4
155.03545	1.7
160.00679	3.2
161.02423	3.6
161.04585	4.3
163.04016	2.5
163.07703	12.2
173.04613	4.8
175.04051	3.7
178.06328	2.5
179.03496	35.0
179.04944	2.5
185.05722	1.5
191.01996	2.5
191.05652	15.0
193.05052	1.8
193.08734	1.7
209.03107	3.6
210.08783	2.5
233.06631	4.9
254.07912	4.3
266.92453	1.7
272.08838	6.1
288.06540	2.5
293.08835	34.3
306.07706	27.5
337.09259	5.3
372.73438	1.6
517.22888	2.6
517.30231	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
57.03460	3.7
58.00608	2.3
59.01384	100.0
61.59286	1.9
63.33350	1.7
69.03455	4.9
69.88030	8.2
71.01386	74.9
72.99313	2.2
73.02939	9.9
77.23009	1.9
79.01912	2.0
81.03452	4.3
83.01387	5.9
85.02949	12.8
87.00891	2.7
89.02454	75.7
95.01367	3.8
97.02951	5.4
99.00848	2.9
101.02460	23.7
111.00941	2.9
113.02471	16.5
119.03500	9.2
125.02454	25.1
131.03519	15.6
135.04613	3.4
143.03499	4.4
148.05319	62.2
149.04558	21.7
161.04532	3.9
163.07678	29.4
173.04547	5.1
179.03500	2.7
191.05670	15.7
192.05957	2.2
233.06700	4.1
293.08838	42.7
294.09042	2.2
355.09161	2.2
418.43430	1.9
517.30786	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	517.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	51.3
61.98840	2.2
64.31232	1.8
66.34043	1.8
69.69736	5.1
69.70145	5.2
71.01393	4.0
79.39001	1.9
92.87296	1.5
96.96027	3.3
100.57726	1.5
118.79006	1.7
125.63472	1.9
171.10289	16.3
172.10417	1.5
177.78232	1.5
189.35526	1.6
277.21768	21.6
295.22812	100.0
296.23099	6.2
319.22885	1.8
350.39716	1.9
495.99908	1.8
517.31952	13.5
518.32526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23008	0.6
53.18262	0.5
59.01387	100.0
60.01723	0.8
61.98843	0.9
68.91060	0.6
71.55415	0.9
75.22305	0.6
109.82426	0.5
153.65266	0.7
233.01929	0.6
298.83374	0.7
518.88617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95520	0.3
52.29902	0.3
62.44699	0.3
64.67720	0.3
66.95253	0.3
66.99740	0.3
78.95911	44.8
88.44915	0.2
95.13817	0.2
96.96972	5.7
116.14421	0.2
150.98009	1.7
152.99599	100.0
153.99947	0.7
171.00652	3.7
277.21643	0.5
349.38098	0.3
415.58456	0.3
431.22040	21.1
432.22287	1.7
518.25342	4.0
519.25543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46859	0.3
53.63260	0.3
59.01375	0.8
61.98827	1.1
78.95914	65.6
96.96041	0.6
96.96307	0.3
96.96976	5.8
109.27153	0.3
117.28129	0.3
150.98038	1.5
152.99606	100.0
153.99905	1.4
171.00671	2.5
229.39978	0.4
277.21799	1.8
376.21933	0.3
393.47379	0.4
431.22058	39.5
432.22406	3.1
440.61105	0.3
518.25256	4.6
518.32397	0.9
519.33466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
61.82368	0.4
61.98838	100.0
66.86487	0.4
71.46103	0.4
71.57824	0.7
96.96049	0.7
97.23279	0.4
100.95437	0.4
139.14082	0.4
155.06082	0.4
178.10185	0.4
293.21320	0.6
298.81598	0.4
339.05576	0.4
518.32727	1.1
519.33856	0.5
526.99603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15308	2.5
55.01879	3.1
57.03444	6.4
58.75523	2.0
59.01383	73.8
61.98835	32.5
63.02385	2.3
65.00316	5.5
69.03441	2.5
70.82124	2.3
71.01387	45.6
71.13503	2.5
72.99318	4.8
73.02942	14.0
75.00859	2.3
83.01392	50.6
83.58376	2.4
85.02962	21.3
87.00878	6.2
89.02451	22.5
93.03462	14.4
95.01389	5.0
96.96005	7.7
99.00877	3.7
99.04527	3.4
101.02458	25.6
107.01404	8.5
109.02972	2.3
111.00897	2.8
113.02456	23.2
116.80219	2.0
116.92872	3.6
119.03509	5.3
119.05032	16.3
121.02991	7.6
122.03724	10.6
123.04529	4.0
125.02403	3.4
128.03511	2.4
131.03658	2.1
133.02931	3.2
135.04539	6.5
136.05341	2.7
137.02440	14.8
137.06096	7.5
147.04573	2.5
149.06122	2.5
151.00368	20.7
160.01685	3.0
161.04558	6.7
165.13028	2.5
173.04581	7.9
177.01929	4.9
189.88560	2.0
190.02657	2.3
191.05585	9.4
201.64508	2.4
205.05083	3.4
221.08128	4.3
227.16536	4.1
269.17587	3.7
271.02533	9.6
271.06119	54.1
272.06427	3.4
299.01926	14.2
300.02606	6.2
314.04248	3.2
315.05130	7.1
331.10974	2.5
342.11194	3.8
348.61258	2.2
357.13446	100.0
357.26376	10.2
358.13867	4.6
377.64166	2.4
389.21869	3.0
389.75446	2.2
441.18259	3.3
442.73282	2.2
459.25519	3.6
519.11200	20.8
519.23853	14.2
519.31696	44.1
539.56366	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71906	1.6
51.78382	1.3
59.01149	1.5
59.01389	16.4
69.42699	11.6
71.01395	11.5
73.02962	1.5
85.02975	2.2
89.02448	7.5
91.01910	1.9
92.46186	1.5
93.03481	1.7
101.02459	8.4
113.02450	4.3
119.01392	5.3
119.03496	2.9
121.02969	3.3
130.90741	1.4
143.83827	1.4
147.00893	2.9
147.04471	2.2
149.02457	29.0
150.03078	1.6
151.06090	6.3
163.04010	3.8
164.04796	29.4
172.36526	1.3
175.00377	34.4
176.00937	1.4
179.07147	5.7
190.02737	84.1
191.03316	5.6
205.05074	87.5
206.05714	7.7
206.28056	1.5
208.03761	2.7
209.04362	1.4
221.08244	8.8
223.06145	66.2
224.06493	3.1
237.07741	2.6
250.04875	2.5
265.07166	29.1
295.08203	3.9
325.09317	3.9
385.11234	2.0
395.97729	1.9
519.17181	100.0
520.17828	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	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
57.03458	5.8
58.02977	3.6
59.01384	100.0
61.98833	26.8
67.74561	2.7
71.01386	53.1
71.56893	3.8
72.99306	4.5
73.02966	14.8
74.02468	12.7
75.00868	3.3
82.89523	2.8
83.01389	5.9
83.05045	3.6
85.02957	29.2
86.02480	7.5
87.00868	4.0
87.04503	5.5
88.98821	8.5
89.02451	29.1
93.03444	16.1
95.01372	5.5
96.95998	10.8
99.00904	5.0
99.05667	10.3
101.02467	32.8
109.02950	3.7
111.00909	3.3
113.02468	27.2
115.92070	4.2
116.92851	9.5
119.03467	5.1
119.05028	6.2
120.01258	2.9
121.02982	4.9
125.02526	3.7
128.03577	26.8
129.01981	4.0
129.03894	6.7
133.02980	5.7
134.03777	4.8
135.04539	12.2
135.05521	3.4
137.02486	17.9
143.03557	5.5
143.04620	36.6
144.04964	10.7
149.02477	5.1
160.00734	7.6
161.02437	4.6
161.04546	11.0
173.04526	13.3
179.03372	3.6
179.04683	4.9
190.02708	4.6
191.03580	5.6
191.05583	13.9
197.96333	2.9
205.05049	6.3
210.08795	5.2
223.06145	4.7
254.07881	7.3
255.08098	5.0
272.08966	8.4
273.09180	8.0
306.07681	43.8
307.07953	44.3
308.07327	7.3
311.57733	3.2
357.26282	5.9
415.23389	12.2
433.24347	4.9
519.15674	8.1
519.23169	9.4
519.31708	34.8
520.25702	3.2
520.32581	3.7
533.70953	3.2
535.11816	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	519.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03458	3.8
57.29674	0.6
58.00604	1.8
58.73080	0.6
59.01387	100.0
60.01725	0.8
61.98843	1.1
69.03463	1.9
71.01390	54.9
71.33442	0.8
72.99326	2.4
73.02954	16.8
75.00882	1.3
81.03470	1.4
83.01395	10.4
85.02957	26.7
87.00875	5.9
89.02457	12.5
93.03521	0.7
95.01383	5.6
97.02970	3.6
97.06599	1.3
99.00893	8.4
99.04521	0.9
101.02457	39.1
102.02769	0.9
109.02972	4.1
110.09694	0.7
111.00890	2.9
113.02464	27.3
116.35087	0.8
119.03522	5.4
122.34395	0.6
122.76114	0.6
124.01719	0.8
125.02464	6.9
129.01953	0.9
131.03493	1.0
133.02971	1.0
135.04529	1.4
137.09758	0.8
141.12877	0.7
143.03510	7.5
153.05632	0.9
159.03008	3.1
159.04430	0.6
161.02496	1.2
161.04575	22.2
171.13928	1.3
179.05678	1.6
187.94774	0.8
200.14177	1.3
203.05620	1.3
235.08304	1.3
245.06709	1.7
263.07599	0.8
279.06665	1.7
292.17395	0.8
315.18158	10.3
321.24161	0.8
357.19125	1.8
357.26556	11.2
362.19470	3.5
391.23441	0.9
401.10522	0.8
431.11337	4.1
432.64313	0.7
459.22394	18.0
459.28714	0.6
460.22525	1.2
477.23474	33.2
478.23624	2.1
501.31039	1.2
519.09576	2.3
519.24976	3.0
519.31787	49.4
520.32275	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	519.3179
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01899	3.0
56.08483	0.5
57.03457	3.6
58.00600	1.2
59.01386	42.9
71.01391	38.9
71.32906	1.2
72.99312	1.7
73.02953	10.3
74.13222	0.6
75.00888	0.9
83.01377	4.9
84.98256	0.6
85.02452	1.3
85.02959	18.9
87.00897	3.5
87.65067	0.6
89.02454	15.7
91.49491	0.5
93.03488	1.6
95.01384	4.1
97.02969	1.3
97.06583	1.3
99.00885	3.6
101.02454	24.9
111.00889	2.6
113.01718	1.2
113.02462	14.6
119.03527	6.5
119.04940	0.6
121.10218	2.6
125.02422	1.0
125.09734	1.4
127.11309	1.2
129.01965	1.0
131.03516	1.1
135.04449	0.7
137.02451	0.8
137.09712	1.2
143.03526	1.5
159.02991	2.3
161.04588	6.9
169.12335	1.2
171.13916	1.8
173.04620	3.0
179.05528	1.2
199.13417	0.8
200.14175	2.4
201.14925	1.5
217.04666	0.8
229.18120	1.8
237.33572	0.6
243.02986	1.1
261.03949	1.3
269.17551	1.9
321.24338	1.5
339.25363	1.7
357.26465	25.4
357.30872	1.3
358.26776	2.2
361.18469	0.7
362.19495	8.2
389.22049	0.7
391.23303	0.7
394.18454	2.7
483.29556	1.7
489.30505	1.4
501.30618	3.3
519.24762	6.3
519.31744	100.0
520.24774	0.9
520.32141	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	520.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
60.44269	0.6
60.50499	0.6
61.98825	0.7
69.49072	3.0
71.01392	3.4
72.99323	1.0
74.02486	0.7
83.01414	0.6
85.02963	3.6
89.02435	1.7
93.03470	0.6
95.01378	1.0
96.96025	1.2
97.02966	0.7
98.20625	1.2
101.02442	2.1
108.02226	0.7
109.02921	0.7
111.00865	0.9
113.02451	1.6
116.05066	2.8
119.03457	0.6
120.01256	0.6
121.02946	1.2
123.00909	4.5
124.00862	0.9
124.01677	12.1
125.02464	15.6
128.90495	0.5
135.00883	0.8
135.04501	1.3
137.02463	36.5
138.03162	0.9
149.02441	1.8
149.99574	0.8
151.00363	0.8
151.03923	0.7
161.04634	0.9
166.02637	1.1
167.03506	2.2
173.04445	0.6
177.01958	0.6
179.03508	1.1
191.05595	1.8
192.00456	0.6
192.09799	0.6
193.01483	0.5
193.05028	0.6
194.05928	0.6
195.06776	0.8
197.04764	0.8
200.61745	0.5
206.06119	5.2
208.07677	1.1
210.09302	0.6
222.05591	1.9
223.06273	1.1
224.07018	0.6
234.05573	1.1
236.07205	0.5
239.05818	1.3
250.05234	2.6
251.05540	0.6
252.06680	5.4
253.07454	10.8
254.08122	1.9
278.04794	3.3
279.05368	5.3
280.05829	0.8
287.07767	0.6
296.05676	8.8
297.06433	9.6
300.64441	0.5
308.05679	0.5
313.05627	2.0
326.06729	3.0
339.07526	9.4
340.08237	1.4
357.08603	10.2
373.07697	2.2
389.21893	0.8
502.13678	3.8
520.14642	100.0
521.15051	9.5
521.26050	2.1
533.74841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01385	10.6
61.98835	100.0
71.01393	9.0
72.01736	1.0
73.02959	2.1
83.01388	8.2
84.01743	1.6
85.02965	5.2
89.02441	4.7
90.02814	0.7
93.03477	3.0
98.19857	2.0
99.00924	0.9
101.02477	3.0
108.02171	1.4
109.02955	0.9
113.02478	2.6
116.22161	0.8
116.92918	1.0
119.03503	1.2
121.02979	1.1
122.03748	1.0
128.47551	0.8
130.02420	0.7
134.03676	1.2
135.04549	1.8
137.02460	3.1
137.06105	1.1
138.02760	0.9
151.00435	1.2
152.01181	1.9
153.02084	0.9
161.04549	1.2
164.04814	0.9
171.44482	0.7
173.04572	1.8
175.00452	0.9
179.03596	0.9
184.73207	0.8
191.05663	2.0
229.15215	0.7
271.06116	1.1
272.06580	1.8
303.94464	0.9
343.11337	0.9
352.58008	0.8
357.13562	4.1
358.13812	12.9
359.28574	0.8
462.33817	0.9
519.31799	2.1
520.11700	0.9
520.25305	1.4
520.32458	4.3
521.13220	2.3
521.26855	1.0
521.33673	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43737	0.3
62.96423	0.3
69.52848	1.6
69.53260	0.5
78.95910	43.9
92.63496	0.2
96.96978	6.0
98.19950	0.6
134.03162	0.3
150.98000	1.5
152.99602	100.0
153.99957	0.8
171.00659	3.9
279.23218	1.4
283.18213	0.3
433.23627	24.2
434.23758	1.6
520.26758	4.8
520.33221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98843	0.7
62.96429	0.3
70.56264	0.5
70.56604	0.7
78.95914	65.4
79.86599	0.3
84.30196	0.3
96.96041	0.7
96.96971	5.3
110.72479	0.3
113.48656	0.3
147.24791	0.3
150.98042	2.0
152.99608	100.0
153.99928	0.6
165.76698	0.3
166.13963	0.4
166.81615	0.3
171.00677	2.3
216.43452	0.3
240.72812	0.3
279.23325	2.9
412.86905	0.4
433.23624	38.9
434.23868	2.7
520.26837	4.8
520.33276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01386	8.5
59.26578	1.0
60.99312	13.8
71.01396	5.8
71.56500	1.5
73.02950	1.9
75.32344	1.0
83.01355	1.1
85.02972	8.4
87.00906	1.2
88.98817	100.0
89.02456	3.6
93.03481	3.6
96.96022	3.0
99.00891	1.0
101.02441	3.6
108.02165	2.1
109.03027	1.5
111.00890	1.3
113.02430	1.3
116.92924	0.9
117.03482	4.1
118.11796	0.9
118.98050	1.5
119.05016	3.0
119.96764	1.1
125.02327	1.1
125.86104	1.0
134.03798	1.3
135.04550	3.3
137.02477	1.5
137.87480	1.0
139.62619	0.9
145.02953	5.9
147.04482	2.2
149.02492	1.6
150.03177	1.6
151.03973	1.3
152.01129	1.5
161.02437	3.1
163.04021	2.9
165.01939	1.6
165.05637	2.0
167.03488	1.3
173.04515	2.0
175.04008	1.6
178.98096	7.3
179.03514	1.9
190.02689	1.4
191.01938	1.7
191.03554	1.4
191.05672	3.1
193.05116	1.9
194.00378	1.6
195.06635	1.8
205.05125	2.5
222.96974	1.3
257.04510	1.3
265.07169	4.4
269.04657	1.7
281.04544	1.4
283.06152	18.6
284.06497	2.6
287.09369	3.1
290.96921	1.4
299.09314	2.6
311.05634	37.8
312.05890	1.3
323.05438	1.5
341.06689	2.5
353.07941	1.4
359.15027	2.7
431.09857	43.0
432.09998	2.7
478.25742	1.3
503.15262	2.2
521.13086	2.9
521.21204	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	521.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03456	10.4
57.16934	0.9
59.01385	15.4
61.98836	2.7
65.85931	1.0
66.99252	1.1
69.40196	2.3
69.40600	6.6
71.01389	11.4
72.01750	1.0
72.99335	1.5
73.02947	1.8
78.23572	0.9
78.29032	0.9
81.15369	1.0
83.01410	2.4
84.02180	2.9
85.02961	100.0
86.03274	1.2
87.00909	2.9
89.02459	7.6
91.01939	1.2
91.02971	1.1
92.94509	0.9
93.03455	2.4
95.01378	1.2
96.96038	3.5
98.19922	2.3
101.02445	5.5
102.87241	1.0
103.00365	1.7
109.02949	2.4
111.00893	4.2
113.02460	2.5
115.00434	1.2
116.03551	1.0
119.01452	1.1
119.03516	1.2
121.02968	3.0
123.04529	2.8
124.01713	1.0
128.03545	1.5
129.01952	10.0
133.01494	1.8
134.03793	1.2
135.04553	11.8
136.01671	1.8
137.02443	1.9
145.02946	1.3
145.06590	1.9
147.00926	1.2
147.02989	17.3
149.02448	10.7
150.02832	3.1
151.04169	1.2
151.06143	1.0
152.01193	0.9
153.01917	1.0
161.04530	1.3
161.05995	1.1
163.04118	1.9
164.04810	9.2
165.05185	4.3
167.03574	5.0
173.00989	2.5
173.04597	1.4
175.00397	9.6
175.03983	1.4
176.00777	4.0
177.00903	2.3
177.05591	1.5
179.03535	3.3
179.07117	1.5
190.02734	22.0
191.01874	42.5
191.05670	2.2
192.03253	5.7
205.05090	25.0
206.05435	15.6
207.05501	8.0
209.03032	15.0
221.08199	1.9
222.08629	1.7
223.06151	13.0
224.06459	11.7
225.06682	7.2
237.07700	1.5
252.08000	1.2
264.84225	1.1
265.07153	5.1
266.07593	5.3
267.07828	3.6
267.10397	1.8
285.11478	2.2
295.08105	1.2
297.06149	1.4
297.11508	1.9
315.08908	1.1
325.09683	1.2
327.09747	1.0
341.05225	2.0
344.12952	1.3
359.06232	23.9
359.10754	1.4
359.15057	1.9
387.03357	1.2
445.90918	1.2
520.17670	12.9
521.17877	40.0
521.25452	2.3
522.18024	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	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.0
69.30062	1.6
69.30474	5.2
71.01374	2.6
83.89100	0.8
85.02955	1.9
93.03484	1.1
95.01431	0.8
95.03436	0.8
101.02428	0.9
108.02184	55.5
109.02982	23.5
116.71975	0.8
121.02977	1.7
123.00936	1.1
135.00882	2.4
144.39105	0.9
149.02481	4.9
150.03204	2.6
151.03986	1.0
152.01166	75.8
153.01958	24.9
161.02553	1.0
163.04022	2.4
164.04817	5.6
167.03545	2.0
175.00375	6.7
176.01158	10.7
177.01787	0.9
179.07158	1.0
179.79611	0.8
190.02733	22.9
191.03505	20.9
194.02164	1.0
195.02853	1.4
202.34537	0.7
205.05078	18.7
206.05409	1.3
208.03831	1.0
209.04565	3.2
223.06085	3.2
225.03970	0.8
273.07724	1.1
277.29767	0.8
315.07199	18.2
353.08737	7.7
367.10565	1.1
462.10889	0.9
475.55673	0.9
477.14163	2.8
489.10336	2.3
521.13037	100.0
522.13330	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	521.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03447	1.1
59.01383	7.3
59.01682	0.4
60.26208	0.3
61.98816	0.4
65.03966	6.9
67.01892	3.9
69.45739	0.8
69.46152	2.0
71.01385	6.4
73.02943	1.8
73.85565	0.3
75.00872	0.4
77.92823	0.4
83.01392	1.1
85.02969	5.1
87.00908	0.4
87.24541	0.4
89.02457	2.4
91.01900	1.4
91.82349	0.4
93.03474	0.5
99.00886	0.6
101.02444	3.8
102.63380	0.4
108.02161	0.4
109.02959	67.6
110.03296	1.1
111.00882	0.6
113.02465	2.7
119.01376	1.1
119.03513	1.0
121.02954	1.4
133.02933	0.4
134.03847	0.5
134.99911	0.7
135.00894	8.0
135.01930	0.5
135.04546	0.7
137.02477	0.8
143.10814	0.4
147.00888	0.8
149.02446	6.1
152.01141	0.8
153.01949	100.0
154.02277	2.1
159.03006	0.4
161.02438	0.6
161.04568	1.4
163.04004	1.2
164.04794	6.4
173.04599	0.6
175.00380	7.0
176.01184	0.8
179.07162	1.1
189.02089	0.5
190.02725	23.4
191.01845	0.5
191.03378	2.0
191.05594	0.8
205.05077	22.4
206.05476	0.9
208.03706	0.7
209.04605	0.5
223.06133	6.0
315.07254	2.8
359.28076	3.0
367.10342	18.7
368.10748	0.8
385.08011	0.5
477.13989	3.9
521.13062	18.2
521.33594	11.4
522.13367	1.1
522.33667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48703	0.8
50.69344	0.8
56.52470	1.0
57.00217	0.8
57.03453	1.2
58.00595	3.8
59.01383	7.7
61.98835	1.4
70.18716	2.3
71.01391	6.9
72.99319	1.1
73.02969	1.9
81.93669	0.9
85.02960	5.4
87.00890	2.7
88.98849	1.6
89.02454	3.9
93.03467	4.4
94.54490	1.1
95.01432	1.0
96.96046	0.9
99.00896	1.3
101.02457	3.4
106.04241	1.6
107.05033	3.1
108.02184	27.6
109.02974	5.4
111.00899	1.8
113.02477	2.2
117.03484	3.2
119.03547	1.0
119.05044	7.9
121.02980	3.0
123.00901	1.1
123.04533	2.0
132.02197	15.4
133.03003	5.2
134.02722	1.6
134.03760	35.6
135.04539	42.3
137.02478	3.7
138.03290	0.9
139.03984	1.0
145.02969	8.8
147.00786	0.9
147.04546	7.7
149.02457	5.7
149.06105	5.2
150.03204	3.1
151.03996	1.2
152.01164	24.3
153.01968	5.2
153.05612	1.2
159.04491	1.0
160.01677	74.0
161.02469	8.5
163.02740	0.8
163.04050	3.3
164.04834	4.2
165.01953	1.0
165.05591	17.1
166.05043	4.2
166.41870	0.8
167.03505	1.1
167.05435	2.7
173.04567	3.9
175.00388	3.6
175.04015	100.0
176.01147	1.9
176.04451	4.3
177.01794	1.1
177.05626	1.9
178.02658	3.2
179.03456	3.4
179.07083	1.0
181.05026	1.0
190.02742	10.6
190.06409	1.2
191.03554	4.9
191.05647	4.0
191.07195	1.3
193.05077	22.2
195.06621	1.2
198.78969	0.9
205.05080	8.2
208.03738	1.9
209.04576	1.6
217.05171	1.0
221.46106	1.0
223.06123	6.0
235.06169	1.0
265.07230	1.6
297.06131	7.8
307.08279	2.1
315.07214	1.5
323.07718	1.2
337.09323	45.3
338.09680	1.8
353.09018	1.4
473.14554	91.9
474.15021	6.7
485.14594	4.3
503.15665	8.6
506.11462	1.0
521.12616	25.7
521.25220	1.3
522.13336	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	521.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.5
58.00590	1.4
59.01385	24.7
60.99308	4.2
61.98831	5.6
69.88504	2.3
69.88900	3.3
71.01389	19.7
72.99304	2.1
75.00880	3.0
83.01413	3.1
84.02181	1.6
84.92776	1.4
85.02958	58.5
87.00879	4.3
88.00430	2.6
88.98811	27.8
89.02450	19.4
93.03468	1.6
96.96021	7.9
99.92593	1.5
101.02463	7.9
103.00378	1.4
108.02180	4.3
109.02946	3.1
111.00905	9.0
113.02453	6.2
116.03579	1.4
116.92891	8.2
119.03487	4.4
119.05075	1.6
120.01283	1.3
121.02968	100.0
122.03260	2.9
123.04549	2.8
129.01941	7.9
131.03479	1.6
134.03767	1.5
135.04546	7.0
136.01712	1.5
137.02431	1.6
138.01953	1.6
145.02971	4.4
145.06616	1.9
147.03009	10.2
150.03210	1.4
152.01163	3.5
157.06512	1.3
159.04456	2.4
161.02467	3.0
161.04591	2.4
165.05600	1.8
167.03516	4.9
173.00928	3.0
173.04539	2.6
175.03960	1.5
179.03426	3.3
179.05661	3.2
191.01993	26.2
191.05634	4.9
193.05064	1.4
204.04318	11.7
205.05086	1.7
209.03056	10.9
219.06604	8.7
223.13632	1.5
263.07214	1.5
264.07803	2.7
279.10568	2.4
307.08148	3.5
315.07382	3.2
323.09244	3.3
339.05194	1.8
341.10208	3.7
350.51596	1.4
359.06299	17.0
368.39682	1.5
373.40268	1.5
521.18701	4.1
521.26398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2526
Annotation	Cognatine
Peak:m/z	Relative Intensity
53.82434	1.1
59.01365	5.8
61.98826	2.2
64.49172	1.2
69.03459	1.8
71.01370	1.5
78.95901	16.4
85.02953	1.3
96.96015	3.2
98.66909	1.2
100.19524	1.5
109.06606	1.8
122.11812	1.3
133.84889	1.2
149.31026	1.4
152.99603	16.4
156.27962	1.3
171.00621	2.5
179.14555	1.2
193.08696	1.4
195.13882	12.7
223.13391	7.5
227.03265	2.8
245.04315	2.6
256.13110	1.8
275.20078	6.9
293.21252	100.0
294.21667	7.5
295.22687	2.0
296.23145	2.5
521.24994	60.8
521.31091	3.5
522.25439	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	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
55.96625	0.4
57.03458	4.4
58.00583	1.4
59.01387	30.2
61.98822	0.7
69.03455	0.5
69.31120	3.9
71.01392	35.4
72.01717	0.5
72.99318	2.4
73.02962	9.2
75.00881	1.6
83.01393	5.0
85.02960	16.3
86.00081	0.4
87.00880	1.6
89.02459	14.1
89.03014	0.9
93.03474	1.2
95.01390	3.2
97.02939	1.0
97.06603	0.7
98.20718	0.7
99.00883	3.2
101.02455	21.8
102.02746	0.6
107.05032	1.2
108.02177	0.5
109.02963	1.5
111.00882	1.8
113.02464	14.2
119.03522	5.8
121.02965	0.8
121.10256	1.0
122.03738	0.7
123.08173	0.9
125.02447	0.9
129.01961	0.7
131.03514	1.0
135.00967	0.5
135.04495	0.7
137.02428	0.6
141.09227	0.9
143.03499	1.7
143.10771	1.5
152.01147	0.8
153.01962	2.7
159.03004	1.7
161.04570	5.3
171.14009	1.3
173.04613	0.9
173.11769	0.6
179.05650	1.6
183.13899	0.5
187.13344	0.9
190.02733	0.5
191.05641	0.6
201.14975	2.2
205.05197	0.5
212.40579	0.4
225.18500	0.4
229.08713	1.6
273.07761	1.4
275.81808	0.5
315.25232	0.7
319.17688	0.7
359.28043	25.6
360.28400	1.3
362.19574	0.6
400.62482	0.5
477.14182	3.3
503.32343	0.6
521.33386	100.0
522.33624	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	521.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01252	0.4
55.01889	2.9
57.03464	3.5
58.00600	1.1
59.01388	29.9
61.98837	1.4
69.03448	1.0
71.01389	37.1
71.05042	0.8
72.01728	0.6
72.99328	2.9
73.02952	8.4
75.00855	2.1
83.01396	5.3
83.05054	0.4
84.01728	0.5
85.02962	19.0
86.00117	0.6
87.00883	2.7
89.02457	13.9
93.03472	5.7
95.01385	3.3
96.96028	1.8
97.02965	1.2
97.06599	1.0
99.00904	3.9
101.02453	26.6
102.02814	0.6
108.02198	1.7
109.02985	1.6
109.06622	0.4
111.00883	2.6
111.08147	0.6
113.02466	12.8
116.93005	0.5
119.03514	7.0
119.05038	0.9
121.03029	0.5
121.10263	0.7
123.00900	1.3
123.08197	1.7
124.01720	2.2
125.02461	5.3
129.01964	1.7
131.03514	0.9
134.03775	0.7
135.04561	0.8
137.02460	11.4
139.11313	0.6
141.09291	1.4
143.03566	1.9
145.02994	0.8
149.02505	0.9
149.04533	0.6
149.99585	3.5
151.03987	0.6
152.01208	1.1
153.01970	2.1
153.05530	0.5
155.10760	0.5
159.03021	2.0
160.01598	1.0
161.04579	5.1
162.16580	0.4
163.04015	0.9
165.12895	0.5
167.10664	0.5
168.00668	5.7
169.01486	0.6
169.12354	0.9
171.13904	2.0
173.04610	1.2
175.04004	1.0
179.05643	1.4
187.04111	0.5
187.13414	1.6
187.16544	0.4
190.02695	0.7
191.05623	2.2
200.14209	1.6
201.14980	1.0
205.05069	0.8
209.03017	0.7
249.06232	1.6
313.55267	0.5
341.27213	1.0
352.40375	0.4
359.28049	28.0
360.28430	0.6
362.19308	0.6
387.09448	2.3
391.23502	1.3
503.32901	0.6
519.31073	0.6
521.12878	10.2
521.33398	100.0
522.13403	1.0
522.21118	0.6
522.33691	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	521.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55339	0.3
55.01883	3.0
57.03451	4.3
58.00609	0.7
59.01387	21.4
59.57291	0.4
61.98835	1.4
64.00674	0.4
67.01896	0.4
69.03462	1.0
69.53166	0.9
69.53586	1.8
71.01393	24.6
71.05042	0.4
72.01704	0.5
72.99329	1.5
73.02960	8.8
75.00869	1.5
78.91890	1.1
78.95962	0.4
81.03439	0.6
83.01395	6.0
83.05051	0.5
85.02962	15.7
87.00874	2.0
89.02457	7.6
93.03471	1.0
95.01395	2.5
96.96045	1.8
97.02970	0.9
97.06606	1.2
98.17268	0.4
98.20656	0.5
99.00893	3.7
101.02456	19.5
101.15531	0.4
102.58123	0.4
108.02180	0.6
109.02963	1.1
111.00896	3.4
113.02460	9.0
119.03516	2.8
119.05017	0.6
121.04646	0.4
121.10271	0.6
123.08160	1.6
125.02476	0.8
127.07638	0.4
129.01923	1.1
135.04524	0.6
137.02480	0.6
137.09761	0.5
139.11282	0.6
141.01926	0.4
141.09244	1.3
141.12828	0.8
143.03496	0.8
152.01160	0.9
153.01920	1.1
159.03023	2.8
159.10356	0.4
161.04552	4.7
163.04025	0.5
169.12347	0.8
171.13927	1.7
173.04546	0.9
179.03568	0.6
179.05609	0.7
185.15479	0.4
187.07834	0.4
187.13557	0.7
191.05603	1.5
199.17046	0.4
200.14247	1.0
201.14972	2.2
248.76239	0.4
333.19266	1.1
347.20999	0.4
358.26993	0.4
359.28046	21.0
360.28510	1.3
362.19608	1.2
363.20258	1.5
461.31879	0.8
491.32465	0.5
503.32504	0.9
521.33386	100.0
522.33783	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	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03461	3.3
58.00592	0.7
59.01385	27.9
60.01701	0.6
61.98841	2.6
69.03465	0.7
69.23176	1.9
69.23592	0.9
71.01390	32.9
71.05005	0.4
72.99306	1.8
73.02953	8.6
75.00900	0.8
81.03477	0.4
83.01394	4.1
85.02960	15.3
86.00106	0.5
87.00891	1.9
87.04520	0.8
88.13608	0.3
89.02453	13.0
93.03481	0.8
94.75566	0.3
95.01399	3.4
97.02945	0.6
97.06604	0.9
99.00877	3.7
101.02454	20.6
108.02152	0.4
111.00893	2.3
111.08172	0.7
113.02465	12.2
113.03259	0.6
113.09736	0.5
119.03514	4.6
119.05067	0.5
121.10281	0.4
123.08159	2.6
125.02462	0.8
127.11312	0.5
129.01953	1.1
131.03485	0.4
133.03003	0.4
135.04546	0.3
137.02415	0.4
139.11320	0.5
141.09258	1.0
143.03502	0.9
149.04579	0.3
152.01132	0.5
159.03046	1.6
159.04260	0.4
161.02480	0.4
161.04573	5.1
163.04053	0.6
164.83983	0.3
169.12376	1.1
171.13934	1.2
173.04585	0.8
175.04083	0.4
179.05632	1.1
187.13414	2.3
191.01997	0.4
191.05640	1.0
200.14223	1.1
201.14859	0.6
359.28040	25.7
360.28387	1.7
362.19424	1.0
390.09036	0.3
521.33368	100.0
522.18744	0.4
522.33685	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	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03450	0.7
59.01384	19.5
61.98836	100.0
69.47035	0.6
71.01386	7.7
71.56516	0.5
71.56922	0.8
72.99325	0.6
73.02953	3.8
74.02482	1.1
75.00893	0.8
75.25707	0.5
83.01421	2.0
85.02981	3.0
87.00883	0.7
88.98820	0.5
89.02473	2.8
90.98655	0.5
93.03495	1.6
95.01392	0.7
101.02450	6.3
108.02184	2.4
109.02975	2.4
110.03321	0.6
111.00894	0.9
113.02470	3.5
119.03503	1.3
121.02992	0.7
122.06950	0.6
124.01712	0.6
125.02540	0.6
126.66600	0.6
131.03554	1.1
135.04549	1.9
137.02454	1.4
149.02473	0.6
149.04593	2.0
152.01147	2.3
153.01912	1.8
155.03496	0.6
156.45938	0.5
161.02507	1.2
161.04604	1.5
163.03958	0.6
164.04886	0.6
173.04587	4.1
175.04015	0.8
177.01871	0.6
177.05678	0.5
179.03574	1.0
190.02721	1.3
191.03383	0.7
191.05626	3.3
191.31024	0.5
205.05122	1.0
316.07950	0.7
360.28137	0.8
401.00610	0.5
409.52240	0.5
457.99359	0.6
515.14264	0.6
522.13409	5.0
522.26685	0.8
522.34003	4.6
523.14038	0.7
523.21320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81716	0.8
58.47356	1.1
59.01389	7.0
60.99318	6.6
61.97937	0.9
61.98842	3.3
71.01394	3.8
71.56173	1.0
71.97133	0.8
72.99355	0.9
73.22767	0.8
73.99503	0.9
74.02506	0.8
74.31357	1.0
74.99118	1.3
78.95952	1.0
85.02971	2.5
87.00886	1.4
88.98819	41.3
89.02467	3.1
93.03477	1.3
96.96014	7.2
101.02426	1.8
111.00935	1.0
113.02451	1.5
115.00419	1.4
117.03497	1.3
119.05045	60.0
121.02993	0.9
135.04543	2.0
140.07201	2.1
145.02960	6.3
149.02466	2.2
160.04044	6.5
161.04431	3.2
163.04031	100.0
164.04599	4.4
179.07149	7.8
191.05634	2.7
197.04486	1.2
221.08224	1.2
223.06105	1.7
227.09285	3.3
235.06076	1.1
241.05153	1.3
325.09299	36.4
326.09647	2.0
361.12909	1.7
433.88229	0.9
523.11969	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	523.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
58.00575	0.7
59.01389	11.7
61.98832	2.3
69.03450	0.9
70.11138	2.4
71.01388	14.5
72.99336	1.3
73.02953	4.0
75.00894	2.5
78.98589	4.6
79.95743	9.1
80.96526	54.2
81.03460	1.1
83.01389	2.0
85.02961	7.4
87.00874	3.4
87.04538	0.7
88.04049	8.3
88.11033	0.6
89.02456	3.6
93.03461	1.8
94.97559	1.1
94.98100	11.7
95.01390	2.0
96.96011	1.8
97.02978	1.3
98.20593	0.6
99.00866	1.2
101.02460	7.2
106.98087	2.6
108.02201	3.5
109.02950	2.5
111.00873	1.0
113.02458	4.5
119.03511	1.1
119.05034	2.1
119.32501	0.6
121.02872	0.8
122.97604	5.5
125.02461	3.2
134.97585	3.2
135.04538	1.3
136.99126	1.4
137.02455	1.3
148.99156	5.1
152.01163	2.1
152.98653	6.4
153.01862	0.9
154.01485	0.7
161.04556	1.4
163.04079	1.3
164.98647	9.0
173.04555	1.2
175.04004	1.2
182.99721	1.8
191.05643	1.6
206.99733	2.3
223.13484	1.7
225.00772	14.6
243.01912	0.8
299.04471	2.2
361.29636	3.0
486.30826	0.8
487.30942	1.1
522.33179	5.1
523.18555	100.0
523.34711	15.2
524.18982	8.7
524.26251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37743	0.6
57.03440	2.4
59.01385	11.8
61.98819	2.0
63.96227	0.8
67.01916	0.6
71.01390	10.8
72.99328	0.9
73.02945	2.8
74.03275	0.7
75.00873	1.5
78.98600	5.3
79.95741	8.0
80.96524	52.1
81.03455	0.7
83.01395	1.6
85.02965	6.8
87.00884	2.7
87.04516	0.7
89.02450	3.5
93.03459	1.8
94.98099	13.3
96.96010	1.2
97.02949	2.1
97.06586	0.7
99.00882	1.1
101.02449	6.0
106.98091	2.9
108.02177	1.3
109.02940	1.3
111.00871	1.1
113.02499	3.4
119.03490	1.6
121.02937	0.7
122.97578	2.4
125.02448	3.1
126.33176	0.7
127.04030	0.9
134.03712	1.0
134.97600	4.2
135.04544	2.5
136.99159	1.2
137.02460	1.0
139.63870	0.6
148.99162	4.9
150.06834	0.7
152.98642	5.3
153.01895	1.0
153.09309	0.7
154.01428	1.6
161.04610	1.3
164.98637	10.6
171.10283	1.0
173.04523	1.7
175.03928	1.0
191.05562	1.7
191.07175	0.7
193.05193	0.8
206.99684	1.9
209.11845	0.8
223.13365	1.5
225.00769	12.9
299.04453	2.8
307.19009	0.7
325.20187	4.3
361.29504	4.8
522.33466	1.4
523.18567	100.0
523.34967	15.3
524.18958	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	523.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28533	0.5
57.03445	0.9
59.01383	5.3
61.54026	0.6
61.60255	0.5
65.03973	0.7
67.97616	0.6
69.40153	4.7
71.01386	4.1
72.99315	0.8
73.02934	0.9
83.01392	0.9
85.02958	2.7
87.00880	1.1
89.02460	2.3
91.51914	0.6
93.03472	65.5
94.03800	1.4
96.96052	1.8
99.04525	0.7
101.02464	2.5
104.24132	0.6
109.02980	0.8
113.02448	1.2
120.99663	1.6
134.03809	0.7
135.04530	2.5
137.02460	100.0
138.02812	2.5
149.02390	0.9
149.04601	0.8
161.02480	0.9
161.04626	0.7
165.01930	1.0
165.05603	0.8
173.04553	2.1
173.05911	0.6
179.03491	1.1
190.02722	1.6
191.05630	2.8
193.05066	1.0
205.05162	1.4
223.06216	1.5
238.01945	0.6
239.05621	1.4
319.12778	0.8
331.17728	0.9
361.16629	1.9
463.21548	1.3
487.18198	1.8
523.14636	1.6
523.28107	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	523.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.3
58.43881	2.3
59.01385	24.7
61.98839	37.6
70.75320	3.6
70.75663	5.2
71.01389	16.5
73.02956	7.0
75.00873	5.7
75.12633	2.9
75.13097	2.3
78.95919	2.7
84.08925	2.4
85.02965	12.7
87.00890	4.5
89.02446	4.6
92.85589	2.4
93.03465	5.9
96.96036	2.9
101.02422	7.8
109.02946	3.0
113.02441	4.9
119.05022	4.6
124.01724	2.2
125.02409	4.5
125.09738	6.8
127.11250	2.5
134.03720	3.9
135.04553	4.4
137.02325	2.3
137.09766	3.0
163.04066	11.5
171.10263	6.2
173.04613	11.3
175.03973	6.3
189.05550	2.9
191.05579	10.1
193.04997	4.7
201.11325	15.9
213.11362	13.8
229.08919	2.3
289.18118	5.5
307.19257	18.5
325.20236	100.0
326.20444	4.1
367.21130	3.2
395.17471	2.6
418.68839	2.8
523.23682	12.0
523.34961	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	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03447	3.3
59.01384	41.9
59.01682	2.4
61.98817	2.5
66.86139	1.8
69.38750	6.2
69.39183	9.9
70.08210	2.0
70.93577	1.9
71.01385	41.7
72.99316	2.7
73.02952	7.9
80.80424	1.9
83.01374	3.9
85.02969	16.2
87.00870	6.1
89.02444	21.8
93.03466	63.0
95.01376	3.3
96.96015	15.8
99.00925	3.0
101.02455	19.2
111.00793	2.3
113.02448	12.4
119.03512	6.1
125.02412	2.6
129.02037	1.8
131.03523	6.6
135.04536	3.1
137.02461	100.0
138.02841	2.1
149.04616	10.1
151.03978	3.1
161.02493	2.6
161.04585	15.8
163.04013	2.9
165.02040	2.6
165.05586	2.0
173.04549	5.0
179.05551	2.3
190.02699	4.7
191.05664	8.4
195.06635	2.5
205.05072	5.2
209.04706	2.7
223.06046	3.3
331.17664	21.3
342.50342	2.3
448.41254	2.0
463.21805	32.2
487.17996	4.3
523.14441	3.1
523.21027	3.6
523.27716	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	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03447	3.3
59.01384	41.9
59.01682	2.4
61.98817	2.5
66.86139	1.8
69.38750	6.2
69.39183	9.9
70.08210	2.0
70.93577	1.9
71.01385	41.7
72.99316	2.7
73.02952	7.9
80.80424	1.9
83.01374	3.9
85.02969	16.2
87.00870	6.1
89.02444	21.8
93.03466	63.0
95.01376	3.3
96.96015	15.8
99.00925	3.0
101.02455	19.2
111.00793	2.3
113.02448	12.4
119.03512	6.1
125.02412	2.6
129.02037	1.8
131.03523	6.6
135.04536	3.1
137.02461	100.0
138.02841	2.1
149.04616	10.1
151.03978	3.1
161.02493	2.6
161.04585	15.8
163.04013	2.9
165.02040	2.6
165.05586	2.0
173.04549	5.0
179.05551	2.3
190.02699	4.7
191.05664	8.4
195.06635	2.5
205.05072	5.2
209.04706	2.7
223.06046	3.3
331.17664	21.3
342.50342	2.3
448.41254	2.0
463.21805	32.2
487.17996	4.3
523.14441	3.1
523.21027	3.6
523.27716	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03457	7.3
58.00612	2.3
59.01387	100.0
61.98838	15.3
65.00331	3.2
65.06100	2.1
65.30476	2.3
69.03470	3.6
71.01387	95.7
72.99319	8.3
73.02953	21.1
74.47069	2.2
75.00892	3.5
83.01369	11.3
84.02230	1.9
85.02959	40.6
87.00880	8.6
88.98795	3.6
89.02453	71.3
93.03468	8.2
95.01387	5.0
96.95992	5.4
97.02983	4.6
99.00906	6.7
101.02452	65.7
108.02222	2.2
109.02932	3.7
111.00858	10.8
111.04653	2.3
112.00363	2.2
113.02459	27.3
117.47089	2.1
118.14685	2.2
119.03500	11.9
119.05033	2.2
119.81592	1.8
122.06121	8.8
125.02445	8.3
131.03519	46.5
133.03006	2.3
134.03731	5.0
135.04498	7.0
137.02408	6.4
143.03535	5.0
149.04576	50.8
151.39679	2.1
152.07176	15.1
153.01956	3.7
155.03513	2.1
160.01665	3.0
161.04593	13.2
163.04048	3.0
163.38292	2.1
173.04666	11.2
175.03937	3.8
179.03477	2.3
190.02742	2.5
191.05618	21.2
193.05037	3.1
211.06099	3.7
221.06700	5.3
233.06618	6.6
239.11935	7.6
266.07526	2.8
272.61771	2.8
283.10916	13.6
293.08774	5.9
295.10837	4.5
305.13776	3.6
331.17566	6.9
353.10950	12.7
361.29626	9.0
448.18954	11.6
463.21863	65.0
463.27838	2.3
464.22693	3.5
492.17831	25.7
522.33398	2.9
523.34039	31.9
524.20282	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
57.03449	4.6
58.00589	2.9
59.01384	100.0
61.98837	14.0
69.03448	2.5
71.01389	82.3
71.56464	2.4
72.99313	6.4
73.02959	17.9
74.02486	6.9
74.99096	1.7
75.00855	2.4
81.03453	1.9
81.78683	1.8
83.01382	5.9
85.02959	25.3
87.00882	9.4
87.04503	1.9
89.02454	96.2
93.03474	6.4
95.16032	1.7
96.95995	1.7
97.02956	1.8
99.00883	3.5
99.04460	1.6
101.02454	62.8
108.02152	2.3
109.02924	4.4
111.00875	8.5
113.02464	24.0
119.03507	6.9
119.05084	2.0
120.51122	1.8
120.99622	1.6
121.02978	2.0
125.02455	5.6
131.03514	46.5
135.04530	8.0
137.02408	7.2
143.03503	3.2
143.05061	2.0
149.04565	99.2
152.01169	1.6
153.01906	2.4
161.02458	4.0
161.04546	5.8
165.05580	1.7
173.04465	8.9
174.37901	1.7
175.03966	2.8
179.03467	2.7
179.05714	1.8
191.05624	33.0
233.06563	2.3
241.07228	2.3
251.07843	2.1
361.29712	3.1
416.07492	1.9
463.21542	5.5
463.28693	2.4
479.25055	2.2
488.28860	2.7
509.71484	1.8
523.13849	2.2
523.21375	3.6
523.33978	15.1
524.30688	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	525.1407
Annotation	CHEBI:67642
Peak:m/z	Relative Intensity
59.01387	6.8
61.98851	1.3
69.95428	2.0
71.01391	1.0
73.02968	0.7
78.95914	1.6
83.01408	0.5
85.02995	0.6
89.02478	0.4
93.03467	2.6
96.96053	0.6
101.02466	0.6
113.02438	0.5
116.04794	0.4
121.02982	2.8
122.03759	9.0
125.02489	0.8
130.37881	0.4
133.02988	1.0
134.03737	0.5
136.01660	0.7
137.02448	0.6
137.06142	0.4
149.02457	11.1
150.03244	57.6
151.00383	0.8
151.03615	1.2
152.01129	0.9
153.01938	0.5
161.02472	5.1
164.04840	2.3
165.05585	64.0
166.05899	1.6
167.03517	1.0
173.04588	0.5
180.04318	4.9
183.04474	0.9
185.02460	1.9
187.00471	0.5
195.06648	33.5
196.06989	0.7
201.01976	0.7
202.02742	0.8
203.03532	3.3
215.03564	0.8
226.02751	1.8
227.03534	8.9
228.03873	0.5
229.01505	0.9
242.02267	1.0
243.02954	2.1
255.02922	0.7
270.01590	3.4
271.02496	16.9
272.03000	1.3
284.03189	0.6
285.04062	8.0
297.04095	0.6
299.02005	50.2
300.02454	2.8
311.05695	1.7
313.03595	10.5
313.07126	0.8
314.04346	44.5
315.04691	2.7
327.05362	1.0
328.05820	2.1
329.06683	100.0
329.47366	0.5
330.07007	5.5
433.09058	0.5
437.99033	0.5
477.12018	6.0
478.12476	0.9
525.13831	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	525.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.4
59.01387	5.8
61.98847	0.6
70.72522	0.4
71.01392	1.3
71.28864	0.8
73.02945	0.7
79.00562	0.4
85.02921	0.5
93.03480	2.4
97.02977	0.4
101.02441	0.4
105.03470	0.5
109.06603	0.5
113.02467	0.6
121.02976	2.9
122.03750	6.5
133.02937	0.8
135.04594	0.5
136.01701	1.0
149.02463	9.5
150.03241	50.7
151.00333	0.7
151.03635	1.2
160.01579	0.4
161.02457	5.9
164.04826	2.2
165.05583	62.2
166.05890	1.3
180.04250	3.9
183.04472	0.4
185.02507	1.7
195.06638	31.6
196.06969	1.1
198.03165	0.4
199.03996	0.7
201.11307	0.8
202.02779	0.8
203.03561	2.6
204.96515	0.3
213.11275	0.4
215.03539	0.4
226.02710	1.5
227.03505	8.2
229.01451	1.6
242.02184	1.2
243.02974	2.1
253.09209	0.8
270.01688	2.9
271.02505	17.6
272.02887	0.6
281.04456	0.5
284.03430	0.5
285.04086	10.4
289.18130	4.7
299.01990	45.6
300.02219	2.1
309.04053	0.6
313.03564	11.1
314.04343	40.9
315.04688	1.8
327.05151	0.9
327.21796	4.0
328.05920	2.4
329.06677	100.0
330.07025	4.6
461.97275	0.4
477.12070	0.5
525.13989	1.2
525.25214	1.0
532.13391	0.4
534.73254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07523	1.0
56.29365	0.9
59.01388	4.2
61.98795	1.1
63.11819	0.9
69.66930	5.8
71.01402	7.7
73.02962	1.9
74.99091	1.8
81.03479	2.1
83.01390	1.2
85.02952	5.6
87.00882	1.7
89.02457	2.0
91.01891	1.3
93.03482	5.9
95.01408	2.3
96.96030	1.8
101.02464	6.8
107.01403	4.4
108.02198	4.5
109.02970	2.6
111.00894	2.6
113.02478	3.7
119.58979	1.0
121.02953	3.2
122.03745	8.7
123.00914	4.0
123.04549	11.6
124.01712	1.7
125.02486	6.3
133.02911	1.3
134.03752	1.5
135.04547	4.2
136.01694	2.5
136.99178	1.7
137.02448	6.9
138.03279	1.6
149.02477	4.9
150.03244	66.5
151.00388	6.6
151.03870	1.9
152.01187	10.0
153.01917	2.5
153.05577	4.7
162.03256	1.6
164.04837	2.5
165.05588	100.0
166.02704	1.5
166.05923	2.7
167.03514	36.1
168.00728	4.3
173.04585	3.0
175.00427	3.0
177.02011	4.1
179.03558	5.5
180.04317	2.3
181.05084	1.2
190.02699	7.4
191.01982	1.3
191.05676	3.9
192.04240	1.7
195.06732	1.6
205.05063	7.4
209.04616	1.4
223.06204	3.7
233.81763	1.0
239.05696	3.2
296.05560	5.0
299.08069	1.3
311.07767	90.5
312.08249	3.8
329.30127	1.1
417.58563	1.0
426.55734	1.1
489.16162	12.3
489.21591	1.1
507.15338	2.5
525.16364	35.1
525.28662	1.5
526.16595	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	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01932	0.7
59.01389	3.4
63.59260	0.8
68.99819	1.2
69.87933	1.4
69.88353	3.3
71.01397	9.8
73.02959	2.3
74.56491	0.8
83.01401	1.7
85.02956	3.8
85.80415	0.8
87.00868	1.1
89.02440	1.3
93.03471	41.2
95.01383	1.4
96.96011	1.6
96.99322	1.0
101.02456	8.3
104.57555	0.8
107.05065	1.0
108.02194	1.8
111.00858	1.0
113.02482	3.6
119.05029	1.4
121.02975	2.1
125.02467	1.1
133.69400	0.9
135.04544	1.8
136.01694	4.6
137.02463	76.9
138.02776	1.3
143.03502	0.9
147.04427	0.9
150.03236	1.1
151.03969	1.4
153.01953	2.5
153.05586	0.8
163.04065	0.8
165.01950	55.4
166.02332	1.6
167.03520	2.0
168.04317	2.7
179.03511	2.9
180.04306	44.8
181.04848	2.1
183.06650	2.1
191.03615	1.2
191.05588	1.2
195.06644	77.7
196.06996	2.5
201.59865	0.7
209.04642	0.7
225.07996	0.8
230.93201	0.7
249.25754	0.7
277.05710	1.2
281.06699	100.0
282.07062	5.4
311.07703	0.9
465.14130	1.6
490.87372	0.8
525.16174	71.4
526.16681	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	525.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93353	0.3
57.03441	0.7
59.01381	3.4
61.98833	2.0
64.55842	0.3
65.03973	0.5
67.01894	0.5
69.17992	3.2
71.01392	3.8
72.99311	1.0
73.02951	1.1
74.99119	0.5
80.96488	0.4
81.03400	0.3
83.01402	0.7
85.02961	3.1
87.00869	0.8
88.98801	0.3
89.02470	0.9
93.03468	39.5
94.03799	0.9
95.01402	0.9
99.00919	0.5
101.02469	2.4
108.02190	1.5
109.02969	1.0
111.00897	6.5
113.02463	1.8
119.03582	0.5
119.05065	0.4
122.99147	0.4
129.01987	0.4
131.36467	0.3
133.02975	0.7
134.03714	0.5
135.04564	1.4
137.02457	100.0
138.02774	2.1
146.98074	0.3
150.84732	0.3
152.01154	1.1
153.01967	0.7
154.99945	0.5
161.02448	2.7
161.04564	0.5
163.04105	0.6
165.00543	0.7
165.01949	15.1
165.05447	0.4
166.98132	0.5
167.03581	0.4
173.00969	2.2
173.04590	2.8
178.39532	0.3
179.03549	1.3
180.04300	9.2
181.04903	0.4
191.05635	1.7
193.05063	0.5
195.06642	13.7
196.07042	0.5
198.42068	0.3
205.05067	0.7
281.06714	10.3
282.07114	0.5
287.22049	0.3
331.37375	0.3
345.22763	0.4
351.09854	0.5
363.23816	0.7
465.22870	0.7
524.34662	1.9
525.19952	1.6
525.28674	8.8
526.29358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16489	1.0
55.43674	0.8
59.01383	8.5
61.98829	1.4
65.03983	0.7
67.01896	1.0
71.01399	8.4
71.56265	1.1
72.99319	2.1
73.02969	2.1
74.99120	1.0
75.00867	1.1
81.89658	0.8
83.01402	1.6
83.05064	1.0
85.02954	5.0
87.00890	2.8
89.02457	2.4
90.75504	0.8
93.03468	65.1
94.03788	1.3
95.01409	1.3
96.96015	3.5
99.00861	1.2
101.02442	4.6
108.02210	1.9
109.02970	2.9
111.00882	2.3
111.04515	1.2
113.02474	2.9
119.03533	1.9
119.05056	1.4
120.99696	2.0
121.02982	2.1
123.00921	1.0
123.04530	1.8
129.01952	0.9
133.02974	1.3
134.03778	4.4
135.04556	8.7
137.02461	100.0
138.02840	2.7
139.00360	0.9
145.84477	0.9
147.04578	1.1
149.02512	1.9
149.06075	1.4
150.03177	2.5
152.01137	2.2
153.01933	2.0
153.05643	2.0
155.03568	1.0
158.39156	0.8
160.01601	0.8
161.02438	1.2
161.04587	0.9
163.03975	1.3
164.04807	1.3
165.05560	4.3
167.03476	2.8
168.04053	0.8
173.04541	4.4
175.04021	1.9
178.02872	0.9
179.03560	2.2
179.07150	0.9
181.01428	1.7
181.05077	1.4
182.02223	1.5
183.06699	1.2
190.02776	2.3
191.05647	5.1
193.05016	1.5
197.04587	3.3
205.05051	1.5
243.06450	0.8
267.76288	0.9
311.07761	2.7
332.14227	1.0
341.08725	7.7
345.22961	1.5
361.16623	1.3
362.16904	0.8
363.17221	2.7
363.24161	1.7
364.14377	0.8
469.16153	1.0
477.14014	7.9
507.15179	1.2
525.15906	3.9
525.23566	1.0
525.29364	27.7
526.29889	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	525.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
57.93139	1.3
59.01384	15.4
61.98830	3.1
69.28643	10.0
71.01389	7.0
73.02949	2.0
74.18595	1.2
75.00878	3.2
78.95902	2.4
83.01396	1.6
85.02955	6.1
87.00881	2.4
89.02447	2.4
93.03464	4.3
95.01405	1.3
96.96017	3.3
99.00920	1.4
99.04586	1.5
101.02459	4.4
105.08822	1.1
108.02167	2.6
109.02975	3.0
111.00897	1.3
113.02472	3.1
117.69918	1.1
117.85512	1.1
119.03521	1.8
119.05042	1.9
133.02924	1.6
135.04547	2.3
135.79251	1.2
137.02443	4.2
150.03247	3.4
165.05571	3.8
171.10306	5.1
173.04532	3.2
179.03520	2.3
190.02750	2.3
191.05678	2.7
193.23940	1.1
195.06537	1.3
205.05077	4.1
211.13379	10.6
229.14455	5.2
263.99377	1.1
291.19641	2.6
299.02066	1.8
299.05283	1.3
314.04401	2.7
319.13968	1.6
321.12457	2.6
327.21783	100.0
328.22076	5.9
329.06650	4.1
524.35126	1.8
525.24695	8.6
525.35004	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	525.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.5
61.98829	2.0
68.86234	1.6
69.24853	11.7
69.25259	3.0
78.95969	2.0
87.04531	27.0
98.20715	3.0
128.83871	1.7
207.82280	1.7
279.23389	6.2
330.24005	1.7
357.31778	3.4
363.19040	1.7
401.30634	23.5
427.35519	8.6
489.35855	100.0
490.36151	7.5
525.17902	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	526.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35792	1.8
57.03455	100.0
59.01386	52.1
59.04275	1.8
61.98840	71.4
65.45982	1.6
68.26595	1.9
71.01391	23.8
71.56765	3.4
73.02965	17.8
79.95736	1.9
80.96509	9.2
81.03449	4.0
83.01376	7.0
85.02948	8.0
87.00883	3.0
89.02442	3.5
92.40141	1.9
93.03456	6.6
94.98096	2.7
95.01389	2.9
96.89198	1.9
99.04531	76.2
101.02455	34.3
108.02165	2.4
113.02435	7.8
119.05003	2.4
122.03725	3.3
122.06094	1.9
123.04529	2.1
125.02473	35.3
128.03543	3.0
129.02005	2.1
135.04532	5.7
137.02467	6.0
143.03502	4.5
149.02441	4.7
150.03267	23.6
151.03593	5.8
152.98692	2.2
160.01582	2.4
161.02385	3.4
161.04567	5.1
163.04063	4.2
165.05592	23.4
166.05945	8.3
173.04529	8.7
180.04221	2.1
191.05637	6.0
195.06638	13.0
196.06976	7.0
225.00604	2.4
227.03543	2.3
228.03784	2.2
241.09772	3.0
242.09914	2.5
271.02402	6.2
272.02789	4.6
285.04123	2.6
299.02063	10.5
299.04868	2.0
300.02325	13.6
313.03418	2.8
314.04257	11.7
315.04788	13.6
329.06644	21.4
330.07007	33.0
508.20804	5.5
525.35809	4.3
526.22375	5.6
526.29498	3.1
527.18073	11.3
533.12750	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	527.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84067	0.6
59.01375	2.3
61.98835	3.9
64.47585	0.5
69.27168	4.1
69.27578	1.5
71.01385	1.6
73.02975	0.7
75.00891	0.9
80.39651	0.6
80.96521	0.6
85.02975	1.2
89.02460	0.7
93.03445	1.3
96.22041	0.7
96.96024	1.1
101.02479	1.4
109.02959	1.2
113.02470	0.8
116.92871	1.5
125.02502	0.7
134.03661	0.8
135.04526	1.6
137.02469	1.9
145.02963	0.7
150.35486	0.5
160.01637	0.7
161.02444	1.7
161.04497	0.7
173.04547	0.8
175.03995	0.6
179.03488	1.4
184.85161	0.6
191.05498	1.2
198.03215	0.8
202.02811	0.6
205.05006	1.4
214.42537	0.5
226.02763	5.7
227.03461	3.1
242.02196	1.0
243.02975	7.0
243.16881	0.6
253.01524	1.2
255.02681	0.6
270.01755	5.6
271.02530	11.4
281.04343	0.6
284.03333	1.0
285.04099	13.6
299.02054	10.5
300.02484	1.3
309.04065	0.7
312.02786	1.4
313.03571	27.9
314.04245	6.0
315.04922	1.2
327.05243	1.5
328.02365	0.9
328.05869	6.2
329.06754	3.9
343.04614	5.1
461.07324	16.1
461.46585	0.6
462.07715	1.0
476.03085	1.1
476.09665	18.4
477.10175	1.3
491.11993	100.0
492.12347	9.7
527.17615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69300	0.5
59.01387	4.5
59.31049	0.4
61.67893	0.5
61.98841	3.2
67.01915	0.9
69.27771	4.2
71.01382	4.5
72.99323	0.8
73.02953	0.9
73.64635	0.5
74.99101	0.6
75.00878	1.1
81.03456	0.7
83.01382	0.5
83.05039	1.3
85.02956	11.1
87.00886	2.4
89.02458	2.3
89.74454	0.6
93.02935	0.8
93.03473	9.8
96.96012	2.1
99.04528	0.5
101.02451	3.3
108.02162	0.6
109.02962	9.7
111.00925	1.1
111.04545	2.5
113.02470	1.7
116.05096	0.7
117.36670	0.4
121.02975	10.2
122.03788	0.6
123.04514	1.0
125.02441	0.6
127.04037	3.1
128.62926	0.4
129.01924	0.7
133.02962	1.2
134.03766	0.5
135.04523	5.8
137.02440	1.5
144.04550	1.1
145.02881	0.5
145.05331	0.5
149.02475	1.4
150.03198	2.8
151.03992	0.6
153.01941	1.0
155.03526	1.7
158.06129	1.3
161.02409	1.5
161.04568	1.3
162.76311	0.4
165.01999	0.6
165.05566	0.5
170.06126	0.6
171.03108	0.6
171.06882	1.5
173.00935	0.6
173.04550	8.7
177.01929	0.7
179.03490	1.6
179.05676	0.7
180.04254	0.6
181.05006	0.7
187.08778	6.5
191.05627	100.0
192.05981	2.2
195.06627	0.5
200.09586	1.0
209.03076	0.6
209.08224	0.9
211.05850	0.7
247.05946	0.5
250.05382	0.6
262.08578	0.5
263.05933	0.7
264.06650	0.9
265.05011	0.8
265.07474	2.3
266.05759	0.7
277.05136	0.6
291.05386	2.4
293.04666	1.4
294.05353	2.0
305.06760	0.5
309.12463	28.5
310.12741	2.0
335.10394	23.8
336.10764	1.3
337.15045	0.5
338.04221	0.8
353.06693	7.5
353.11319	1.8
357.43158	0.5
409.13211	1.0
458.74628	0.4
467.21512	1.6
489.15872	1.0
527.11621	1.9
527.17401	1.5
527.23663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98814	2.4
62.14069	0.7
67.01884	0.9
69.46745	1.2
69.47147	4.3
71.01377	2.7
73.02937	0.8
78.95942	0.7
81.03450	1.0
85.02955	14.0
87.00886	3.5
89.02396	0.7
93.03472	7.6
96.96017	3.5
109.02983	1.7
111.00874	1.9
111.04502	3.0
113.02451	0.8
121.02873	1.8
127.04029	2.1
130.08739	0.6
133.03020	0.8
134.03751	1.0
135.04536	30.8
137.02386	0.8
144.04546	1.4
155.03532	2.8
161.02444	3.2
163.04091	0.7
164.07158	1.9
166.02730	0.6
171.03079	0.8
173.00931	0.8
173.04572	5.6
175.08855	0.6
179.03476	5.6
184.06288	1.0
191.05623	100.0
192.05960	1.7
210.07782	0.8
247.06403	3.6
248.07130	3.1
249.07777	0.7
250.05035	2.1
260.07108	1.9
261.07980	1.7
262.08707	2.6
264.06799	1.2
265.07446	2.7
276.06540	1.0
278.08224	2.7
279.08981	1.5
280.09616	0.6
287.06027	0.9
291.05310	1.0
291.11459	6.8
305.06580	0.9
309.12476	18.6
310.12839	1.5
315.67465	0.8
317.09332	1.1
318.08267	0.7
335.10382	41.0
336.10748	2.1
353.11472	72.9
354.11758	4.0
527.16833	27.3
528.17322	2.1
550.09698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.5
61.16005	0.8
61.98839	8.8
63.86617	0.7
63.96224	1.4
69.03460	1.4
69.48052	6.1
71.01395	8.8
72.99323	0.9
73.02959	4.1
73.91459	0.7
78.98608	6.1
79.95740	9.3
80.96525	56.3
81.03458	1.4
83.05048	1.0
85.02969	6.3
87.00906	4.0
89.02442	2.4
93.03465	2.9
94.97493	0.9
94.98096	13.3
95.01406	1.1
96.95996	4.7
97.02949	1.7
99.04428	1.0
101.02445	4.7
106.98077	3.2
109.02938	1.5
111.00851	1.2
111.04530	1.1
113.02483	1.8
115.00410	1.4
116.99992	0.8
119.05025	1.3
121.02972	1.4
122.97573	2.7
124.01656	1.1
125.02470	4.5
134.97604	3.5
135.04555	2.2
136.99121	1.2
137.02420	1.2
139.04099	0.9
148.99184	5.4
151.04025	0.9
152.98639	4.8
153.01915	1.8
160.01570	0.9
161.04561	1.2
163.04051	0.9
164.98650	13.6
173.04567	2.5
183.13910	4.7
191.05641	3.2
205.05084	1.7
206.99672	3.2
225.00761	18.7
290.85898	0.8
299.04568	2.4
307.02322	0.9
322.04630	1.3
350.04337	1.6
415.23410	1.7
467.25317	1.1
491.12558	1.0
527.12512	6.2
527.18121	100.0
528.12408	0.9
528.18689	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	527.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.5
61.16005	0.8
61.98839	8.8
63.86617	0.7
63.96224	1.4
69.03460	1.4
69.48052	6.1
71.01395	8.8
72.99323	0.9
73.02959	4.1
73.91459	0.7
78.98608	6.1
79.95740	9.3
80.96525	56.3
81.03458	1.4
83.05048	1.0
85.02969	6.3
87.00906	4.0
89.02442	2.4
93.03465	2.9
94.97493	0.9
94.98096	13.3
95.01406	1.1
96.95996	4.7
97.02949	1.7
99.04428	1.0
101.02445	4.7
106.98077	3.2
109.02938	1.5
111.00851	1.2
111.04530	1.1
113.02483	1.8
115.00410	1.4
116.99992	0.8
119.05025	1.3
121.02972	1.4
122.97573	2.7
124.01656	1.1
125.02470	4.5
134.97604	3.5
135.04555	2.2
136.99121	1.2
137.02420	1.2
139.04099	0.9
148.99184	5.4
151.04025	0.9
152.98639	4.8
153.01915	1.8
160.01570	0.9
161.04561	1.2
163.04051	0.9
164.98650	13.6
173.04567	2.5
183.13910	4.7
191.05641	3.2
205.05084	1.7
206.99672	3.2
225.00761	18.7
290.85898	0.8
299.04568	2.4
307.02322	0.9
322.04630	1.3
350.04337	1.6
415.23410	1.7
467.25317	1.1
491.12558	1.0
527.12512	6.2
527.18121	100.0
528.12408	0.9
528.18689	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	527.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75061	0.5
59.01374	2.0
61.98824	0.7
70.04652	2.2
70.05026	0.9
70.28299	0.4
70.77587	0.5
71.14650	0.5
71.48143	0.5
75.79942	0.5
78.95912	7.4
79.99843	0.6
83.05004	0.6
96.96026	1.2
97.06565	0.6
100.13104	0.5
110.98550	5.5
122.68736	0.5
167.01147	3.0
184.03632	0.7
185.02211	4.9
224.05092	0.6
239.96092	0.5
277.21747	100.0
278.22055	5.1
444.85101	0.5
445.23633	25.6
445.33273	1.2
446.23935	1.3
527.22290	1.3
547.72546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2535
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
58.04416	0.6
59.01397	2.7
60.09036	0.5
61.98819	1.6
63.96242	0.8
71.01066	0.6
71.01402	7.3
73.02947	1.3
75.00873	0.8
76.25632	0.5
78.95896	0.7
78.98601	5.2
79.95743	9.7
80.96529	54.3
85.02962	4.0
87.00887	2.5
87.70766	0.5
94.98103	13.3
96.96001	2.1
97.02958	1.1
98.87538	0.7
99.00875	0.7
101.02470	2.5
106.98087	2.4
113.02438	1.7
122.97594	2.9
125.02451	2.1
127.04083	0.6
134.97615	4.6
136.99144	1.3
148.99141	5.2
152.98645	5.3
152.99718	1.0
164.98647	10.0
205.36407	0.5
206.99664	2.4
225.00772	12.0
227.20126	2.4
275.16360	0.6
277.21683	2.9
299.04523	3.3
326.96689	0.5
415.32013	2.3
445.33218	2.7
473.11288	0.6
492.08435	0.5
527.25317	100.0
528.25677	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
59.01389	15.7
66.66468	1.6
66.67918	1.1
68.99855	1.2
71.01391	20.9
72.99324	5.2
73.02934	1.5
75.00880	19.1
76.03394	1.3
77.76723	1.4
80.96538	3.0
83.01420	1.6
85.02962	24.2
87.00407	1.6
87.00855	8.6
87.58622	1.3
89.02459	4.8
95.01402	5.8
99.00891	10.2
103.00397	3.0
113.02467	35.3
115.00380	1.6
129.01996	2.5
147.04559	1.4
175.02496	5.4
205.07138	2.0
249.06229	10.8
267.07257	10.7
277.21744	59.7
278.22037	2.9
290.71320	1.6
509.27640	3.2
527.28754	100.0
528.29553	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01386	6.5
61.98822	0.6
69.03437	0.5
69.66151	2.8
71.01385	4.6
72.71332	0.4
73.02943	0.8
76.06341	0.4
83.05034	0.8
85.02954	1.6
87.00868	0.7
89.02454	3.1
91.82944	0.4
93.03470	1.4
96.96012	1.8
97.02972	0.5
101.02440	4.4
111.08176	2.3
113.02457	1.8
119.03497	1.5
121.10253	2.7
123.08180	0.9
125.09730	3.2
127.11324	0.6
128.17348	0.4
143.03537	0.5
153.12810	0.7
161.04607	1.6
167.10823	0.9
173.04576	0.5
179.05627	0.8
185.11827	3.6
191.05582	0.6
195.13881	1.9
197.11829	1.3
203.14413	0.5
208.94681	0.4
209.11899	0.4
211.13367	0.7
247.20700	2.1
253.09315	19.4
263.20166	4.5
273.18649	5.1
274.18674	0.5
291.19687	100.0
292.20044	5.5
527.28467	4.5
547.39429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
58.54477	0.6
59.01387	14.1
61.98824	1.4
65.27322	0.8
67.01884	1.1
67.50938	0.8
68.99815	1.5
69.03477	1.0
70.12749	2.5
71.01392	14.7
72.99320	5.1
73.02959	1.6
75.00468	1.4
75.00881	19.9
78.95923	1.1
80.14098	0.7
85.02965	17.7
87.00880	7.8
89.02448	3.4
95.01389	4.4
96.96032	1.3
99.00888	11.4
103.00400	2.9
113.02464	27.9
115.00394	1.9
117.01947	2.0
129.01955	1.7
157.01418	1.5
160.41211	0.8
175.02527	4.2
205.07236	1.9
227.41240	0.8
231.05145	2.3
249.06166	19.4
267.07260	3.3
275.20142	1.1
277.21753	73.4
278.22049	5.0
404.29294	0.8
467.26416	1.5
509.27469	3.6
527.28656	100.0
528.28992	9.7
551.77924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
72.52844	20.6
96.95999	62.9
125.09676	31.9
157.81628	21.9
242.56113	25.7
255.23442	36.6
305.24982	29.2
362.26654	21.9
441.58838	23.8
548.56342	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	527.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62725	54.5
59.01373	100.0
59.06862	58.0
64.79915	73.2
77.25351	58.9
90.62643	60.2
92.16485	63.3
96.96037	90.2
105.85352	69.6
140.84941	61.2
234.31647	62.2
251.47099	59.0
277.21753	92.7
474.48419	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01394	0.9
61.98822	0.6
67.01900	0.2
71.01382	0.7
71.29297	0.3
73.02950	0.2
76.12241	0.2
79.95747	3.0
80.96506	0.4
81.03436	0.2
85.02950	0.6
87.00906	0.2
88.98840	0.2
89.02454	0.2
93.03476	1.2
94.98080	0.2
96.96022	100.0
98.95571	0.2
99.00900	0.2
99.04533	0.3
101.02432	0.4
104.06682	0.2
108.02161	0.3
109.02918	0.3
111.00897	0.3
111.04550	0.3
113.02486	0.3
120.99663	0.4
123.04520	0.3
126.65229	0.2
133.02953	0.2
134.03737	0.3
135.04561	0.3
137.02467	0.3
145.02951	0.4
161.02499	0.2
164.77356	0.2
173.04549	2.9
177.02032	0.2
191.05608	1.4
193.05019	0.5
205.05058	0.3
267.06699	0.3
283.06152	0.4
311.05704	0.9
317.04449	0.2
337.07162	0.4
355.08301	0.5
431.09857	0.7
529.19781	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	529.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04322	1.3
54.50294	1.6
57.03443	3.9
59.01386	15.9
59.55240	1.7
61.98832	5.4
64.03589	1.3
67.01907	4.0
69.03455	4.2
69.39556	7.6
69.39961	3.4
71.01396	10.9
72.99288	1.4
73.02955	3.4
80.96526	2.3
83.01382	2.1
83.05033	4.4
85.02964	8.6
87.00896	4.6
89.02448	4.6
93.03471	35.4
96.96004	8.6
99.04530	2.7
101.02474	3.4
102.88614	1.3
104.16851	1.6
105.57089	1.5
109.02965	3.5
111.00902	5.1
111.04546	12.9
113.02475	4.3
113.99594	1.6
117.03483	6.2
119.42653	1.4
121.02929	1.6
123.04518	1.9
127.04000	2.5
129.02000	1.5
132.02232	2.8
133.02962	12.1
134.03760	72.0
135.04549	67.9
136.04887	2.0
137.02461	28.9
148.05295	2.1
149.02455	5.8
149.06096	5.7
155.03520	32.7
157.98161	1.4
159.04616	1.7
160.01646	6.2
161.02455	41.6
161.04517	2.0
163.04056	1.9
163.07712	1.7
164.04736	1.9
165.05559	1.4
173.04561	100.0
174.04932	1.8
175.04027	10.9
177.01878	1.8
179.03513	60.6
185.00903	2.6
190.02711	6.3
191.05603	18.4
193.05070	83.7
194.05513	2.9
205.05086	4.6
223.06049	7.4
234.46935	1.7
243.03061	1.9
270.01559	2.1
271.02496	4.9
279.15573	1.7
285.03967	5.0
296.07928	1.5
299.02039	3.8
299.05609	1.7
313.03497	8.1
314.04395	2.2
328.05905	2.6
331.08264	1.5
335.07758	27.2
349.09357	18.4
353.08780	25.1
358.07150	1.5
367.10416	37.2
368.10672	2.7
461.07135	5.8
463.07965	1.8
476.09479	4.2
491.11966	34.4
493.12445	6.1
493.30249	3.5
529.13159	17.4
529.19940	3.0
529.27557	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	529.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.48521	0.3
59.01390	7.9
60.99302	0.5
61.98833	2.3
62.59355	0.4
67.01899	3.7
68.99584	0.8
69.03462	0.8
69.23443	2.5
69.23860	0.9
71.01390	6.3
71.05038	0.4
73.02944	1.4
73.76254	0.4
79.95749	0.4
80.96522	1.7
81.03479	0.9
83.01414	0.4
83.05045	1.1
85.02957	3.2
87.00874	1.2
89.02448	2.3
89.04012	0.6
91.01887	0.6
93.03469	24.2
94.03780	0.5
95.01396	0.7
96.00859	0.4
96.96018	1.5
97.02982	0.5
99.00885	0.8
99.04532	0.4
100.02860	0.3
101.02459	2.8
108.02212	0.6
109.02996	2.1
109.55952	0.4
111.00905	1.2
111.04533	5.4
111.08227	0.4
113.02465	1.3
117.03467	2.2
118.98102	0.5
119.03528	1.0
119.05020	0.9
121.02966	0.5
125.02451	2.1
127.04054	1.0
133.02989	1.8
134.03757	22.2
135.00883	0.7
135.04567	4.2
137.02463	6.2
143.03506	0.8
148.05324	0.6
149.06131	2.3
151.07684	0.7
152.01128	0.5
153.01936	0.8
155.03545	4.2
160.12347	0.4
161.02478	4.7
161.04524	0.7
161.13379	0.4
163.04059	0.7
173.04564	100.0
174.04947	2.0
175.03992	0.5
179.03508	3.4
179.05583	0.5
187.11319	0.8
190.02719	0.6
191.05623	3.7
193.05077	25.4
194.05376	0.8
205.12321	0.6
209.11862	0.4
225.00775	0.7
283.13333	0.6
297.12045	1.8
335.07709	1.0
339.07330	0.9
353.08859	0.7
367.10352	40.7
368.10611	1.9
529.12854	0.9
529.19403	2.6
529.33978	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	529.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.00598	0.4
59.01372	1.6
60.99304	0.5
65.03941	0.3
66.91749	0.3
67.01900	3.7
69.03449	0.7
69.25220	2.4
71.01382	3.3
81.03445	0.8
83.05021	0.8
85.02971	1.1
87.00879	0.9
89.02453	0.5
93.03465	21.6
94.03762	0.4
96.96014	0.8
98.20670	0.6
105.42651	0.3
109.02951	0.8
111.00848	0.5
111.04536	4.2
113.02471	0.4
117.03481	1.3
127.04019	0.8
129.01974	0.3
132.02162	0.4
133.02985	1.9
134.03752	16.6
135.04549	6.3
137.02461	4.8
149.02524	0.3
149.04941	0.3
149.06082	1.6
155.03517	4.4
161.02440	4.9
164.04829	0.5
173.04558	100.0
174.04970	1.8
178.02643	0.4
179.03500	5.9
179.04970	0.5
190.02727	0.8
191.05632	9.8
193.05057	17.0
205.05045	1.3
211.72438	0.3
223.06120	0.6
262.27725	0.3
265.07248	0.7
335.07883	0.7
353.08826	5.5
354.09265	0.4
367.10349	37.2
368.10629	1.9
516.40613	0.3
529.13562	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	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01387	6.4
61.86979	0.5
67.01894	0.7
71.01389	5.1
71.57396	0.7
72.99315	0.8
81.03466	0.7
83.16966	0.5
85.02955	2.9
87.00910	1.7
89.02454	4.6
89.03955	2.7
93.03469	10.2
93.04021	0.7
96.96023	9.4
101.02440	3.2
109.02975	1.0
111.00883	3.5
111.04564	1.6
113.02469	1.9
117.03475	6.8
119.03542	1.5
121.02970	0.9
131.03447	0.7
133.03024	0.6
134.03760	84.0
135.04219	0.9
137.02467	11.9
139.04012	0.9
149.06116	6.0
155.03523	6.7
161.02467	0.7
173.04553	5.8
175.02472	0.7
178.02750	3.9
179.03540	1.1
191.05632	5.3
191.07198	0.8
193.05078	100.0
194.05412	3.3
206.99817	0.6
254.84094	0.6
257.02124	0.6
267.06534	0.9
326.25702	0.6
335.09872	19.8
336.10214	1.1
337.03586	0.8
353.10965	12.0
361.99838	0.5
367.16147	1.0
405.95465	0.6
493.15289	1.3
529.15588	8.3
530.15851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52697	0.7
57.03448	1.2
59.01393	2.7
67.01884	4.0
69.49487	4.7
71.01390	4.6
72.99314	1.2
75.00903	0.7
81.03473	0.8
81.77573	0.7
83.01395	0.8
83.05030	1.6
85.02996	1.0
89.02480	1.2
93.03470	26.5
96.96017	4.2
98.20595	1.5
101.02489	1.1
109.02991	0.9
111.00912	3.8
111.04535	6.2
113.02503	1.4
121.02917	0.9
123.04537	0.8
129.01840	1.0
133.02922	1.7
134.03757	53.9
137.02466	9.9
139.04024	1.8
149.06082	5.3
150.03185	1.5
155.03523	6.9
161.57262	0.7
167.03494	3.1
173.04564	100.0
174.04955	1.6
178.02736	30.8
179.03178	0.9
191.05519	3.6
192.87547	0.7
193.05070	87.9
194.05382	3.1
209.04466	1.2
211.06125	5.4
335.09854	1.9
337.03552	0.9
355.10391	14.5
355.28583	0.8
367.10361	0.9
373.11432	2.8
493.15317	3.8
520.06470	0.7
529.15594	25.5
530.15845	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	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
59.01378	29.7
61.98842	10.5
68.14502	3.3
69.34817	3.0
70.97923	3.2
71.01389	17.4
71.49938	2.9
71.56174	4.7
72.99304	4.9
75.00888	17.9
78.95917	4.8
81.23292	3.4
85.02951	18.3
87.00894	8.1
89.02465	5.7
93.03463	7.1
95.01381	7.5
96.96019	4.6
99.00878	7.0
110.98479	3.1
111.04522	3.6
113.02464	24.7
133.02960	11.3
145.77687	2.9
152.99559	5.1
153.99098	4.6
173.04588	19.9
175.02475	4.4
177.01906	4.8
178.02678	3.8
210.29086	3.3
211.13385	10.0
249.06119	22.2
277.21823	19.1
279.23306	100.0
280.23752	5.5
343.20151	3.7
529.30243	94.4
530.30341	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.6
59.01385	8.4
59.65247	0.3
61.98825	0.7
66.68699	0.3
67.01912	0.3
69.03457	0.5
70.09223	1.6
71.01389	6.0
72.99315	0.5
73.02940	0.5
85.02955	1.2
87.00878	1.1
87.35333	0.3
89.02457	5.8
93.03481	2.5
95.01387	0.8
95.05038	0.4
96.96014	0.7
99.40839	0.3
101.02453	6.5
111.04498	0.4
111.08143	0.6
113.02467	3.3
113.09712	0.4
119.03506	1.7
131.03511	0.5
134.03745	1.0
135.04572	0.5
143.03522	0.4
152.99617	0.3
161.04590	3.0
173.04602	2.7
177.12865	0.4
177.99110	0.3
179.05649	1.3
179.14442	1.1
187.30385	0.3
191.05562	0.9
195.13922	9.5
196.14589	1.0
205.15984	0.9
213.49599	0.3
223.13416	6.3
224.13988	0.5
228.13713	0.8
235.08044	0.4
249.22406	0.6
253.09314	32.8
254.09633	1.0
256.13235	1.3
265.21790	0.6
275.20163	5.8
291.19711	0.5
293.21255	100.0
294.21591	6.1
325.14551	0.4
355.15555	0.5
492.22461	0.7
529.20776	0.7
529.28113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3023
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03443	2.8
59.01386	15.1
67.41689	0.9
69.03447	1.2
69.28175	4.8
69.28599	4.0
71.01392	17.0
72.99309	4.0
73.02962	1.3
74.00429	0.9
75.00879	16.4
78.95907	1.4
83.01386	1.3
85.02956	21.4
87.00894	6.5
89.02447	4.9
90.38396	1.0
93.03455	1.3
95.01387	5.1
96.96016	1.7
99.00895	10.6
101.02460	1.3
103.00366	3.0
113.02467	30.6
115.00361	1.9
117.01952	2.3
121.11343	0.9
129.01952	1.1
133.02928	0.9
157.01479	1.3
173.04546	1.3
175.02512	5.8
191.05510	1.0
193.03577	0.9
205.07170	2.4
231.05107	1.3
249.06128	6.3
255.23326	8.1
267.07217	8.0
277.21512	2.1
279.23315	62.4
280.23651	4.4
359.45441	1.2
480.30759	6.0
511.29156	3.4
529.30219	100.0
530.30804	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	529.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.5
59.01385	18.3
61.98837	3.7
62.61564	1.1
65.33565	1.1
69.51522	8.5
71.01395	10.1
71.05025	2.0
73.02953	1.9
78.95906	3.2
81.03448	1.5
85.02944	3.0
87.00887	2.2
89.02444	8.3
93.03447	2.4
95.01350	1.3
96.96021	2.8
97.02946	1.1
99.04526	1.5
101.02450	10.8
109.13995	1.2
111.04527	2.2
113.02467	3.3
119.03479	2.4
133.02968	2.8
133.19943	1.0
134.03769	12.7
135.04544	12.1
137.02365	1.4
137.18262	1.4
140.77397	1.0
161.04593	3.3
163.04004	2.7
173.04535	3.1
177.01880	2.1
177.12863	4.9
178.02731	4.3
179.03467	2.6
182.90962	1.2
211.57144	1.1
213.08952	1.2
234.53874	1.1
235.08127	2.1
235.17058	54.4
236.17377	3.6
251.06113	1.1
253.09303	45.4
272.51724	1.2
275.20181	64.9
276.20541	4.5
293.21255	100.0
294.21533	4.8
305.21170	1.5
355.15488	19.7
356.16098	1.4
391.72748	1.3
529.27753	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.36548	0.2
57.03447	0.5
58.00602	0.3
59.01383	8.5
69.03465	0.5
69.21667	1.1
69.22092	1.4
71.01388	5.3
72.99316	0.5
73.02954	0.8
79.74240	0.2
83.01384	0.6
83.05017	0.3
85.02959	1.4
86.66114	0.2
87.00887	0.7
89.02452	5.9
93.03455	1.1
95.01379	0.4
96.96022	0.6
98.20641	0.6
101.02457	7.0
107.08181	0.3
109.94241	0.3
111.04548	0.3
111.08152	0.4
113.02467	3.0
119.03538	1.6
133.15848	0.3
134.03746	2.0
135.04538	1.5
137.02460	0.3
143.03564	0.5
155.03473	0.3
161.04549	2.8
167.10782	0.4
173.04546	1.2
177.12816	0.8
178.02711	1.1
179.03471	0.6
179.05588	1.2
179.14421	0.9
191.89941	0.3
195.13914	8.9
196.14574	0.8
205.12273	0.5
205.15952	0.6
211.13423	0.6
223.13394	5.7
224.13911	0.6
228.13657	0.7
231.21140	0.4
235.08102	0.2
249.22403	0.3
251.86812	0.3
253.09303	31.3
254.09596	0.9
256.13174	1.2
265.21725	0.5
275.20175	5.1
276.20493	0.5
293.21252	100.0
294.21545	6.1
299.09387	0.3
338.24115	0.3
355.15479	2.4
356.16077	0.3
492.22375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
59.08900	0.2
59.86802	0.2
61.98835	1.0
62.90720	0.2
64.48373	0.2
67.01907	0.2
71.01386	0.6
71.31612	0.2
71.31924	0.3
74.99087	0.2
78.95914	3.0
79.95750	2.8
85.02971	1.1
93.03474	1.0
95.38345	0.2
96.96024	100.0
96.96912	5.2
97.95949	0.3
101.02457	0.4
109.02983	0.5
111.00909	0.2
111.04552	0.2
113.02421	0.2
116.92812	0.2
118.21929	0.2
134.03755	0.7
134.95532	0.2
135.04507	0.6
137.02446	0.5
145.02916	0.2
147.04492	0.2
160.04068	2.1
173.04585	1.4
173.22986	0.2
174.05006	0.2
179.03528	0.3
191.05632	2.2
193.05067	0.7
194.05487	0.4
229.01524	0.4
339.05093	1.5
349.52838	0.2
424.05362	0.2
470.23358	0.2
482.07367	0.2
530.18964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91883	0.4
54.49217	0.4
57.79578	0.4
59.01391	3.2
61.98835	2.7
70.69255	0.6
70.69590	0.6
71.01385	3.1
72.99313	0.9
74.98725	0.5
75.00899	2.6
75.91759	0.4
78.25951	0.4
78.95913	19.3
79.79359	0.4
85.02969	3.4
85.38383	0.5
86.03312	0.5
87.00872	1.2
87.60014	0.4
89.02448	0.8
93.03448	0.6
95.01402	0.6
95.11517	0.4
96.96000	0.6
99.00887	1.3
103.00399	0.6
113.02471	4.3
114.02794	1.1
118.19803	0.5
126.67037	0.5
128.85779	0.4
130.09706	0.4
150.40408	0.4
152.99594	2.5
168.04361	3.1
170.74854	0.4
173.04572	0.9
191.05589	0.6
205.07225	0.5
209.68735	0.4
224.06963	7.0
242.08035	2.0
249.06218	0.9
255.23309	100.0
256.23605	4.7
268.07489	0.5
277.21762	1.8
278.22098	0.6
279.23337	3.7
280.23676	6.2
287.77060	0.4
480.30969	56.7
481.31458	4.5
530.22473	0.7
530.30554	13.7
531.30951	0.8
536.08252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26475	0.3
54.42128	0.3
55.42508	0.3
57.03451	0.4
59.01385	4.0
61.98827	0.6
67.27639	0.3
69.13947	0.3
71.01390	2.8
71.55439	0.4
71.55846	0.4
72.99298	0.3
78.95915	3.3
79.95747	2.8
85.02956	2.0
87.00883	0.4
88.57404	0.3
89.02456	3.4
93.03465	1.3
96.96022	100.0
96.96909	4.8
97.80085	0.3
97.95959	0.3
101.02440	1.7
109.02967	0.7
111.00935	0.3
113.02455	1.0
119.03515	1.3
134.03693	0.3
135.04512	1.1
137.02473	0.8
145.02936	0.3
148.05281	0.3
149.02490	0.3
149.06096	0.5
151.04053	0.3
157.01463	0.4
159.04549	0.7
161.02426	0.6
173.04553	1.1
173.06004	0.4
173.33501	0.3
174.03271	0.3
175.04021	1.1
177.01927	1.3
177.05602	0.3
178.02663	0.4
179.03459	0.6
179.05626	1.1
191.01974	0.5
191.05626	3.5
191.07166	0.5
193.05026	0.6
203.03496	0.4
204.04236	1.0
219.06622	2.5
229.01321	0.3
235.06178	0.8
247.06145	0.3
253.05086	0.5
259.51187	0.3
269.08078	0.4
289.73495	0.3
295.06152	0.6
296.77710	0.3
307.08261	6.9
339.05139	0.6
351.06668	0.5
433.13525	1.1
466.59763	0.3
471.09003	0.4
486.45935	0.3
515.35443	0.3
526.02893	0.3
531.12372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01382	3.1
59.11779	0.5
61.98838	0.8
69.29909	0.6
69.30212	5.7
71.01410	2.8
73.02937	1.2
82.95425	0.9
85.02953	9.1
87.00874	1.3
87.46121	0.5
89.02460	1.2
93.03458	3.7
96.96036	4.4
99.92644	1.0
101.02435	1.2
102.30369	0.5
108.02164	1.9
109.02966	15.2
111.00893	0.9
111.04509	1.1
113.02454	1.7
116.92867	4.8
117.03526	1.0
119.05024	2.2
120.97207	0.7
121.02967	2.3
127.03996	1.5
129.01981	0.9
129.03481	2.1
133.02925	1.1
134.03729	0.9
135.04543	1.6
137.02449	2.1
145.02982	6.9
146.03738	2.5
147.04541	19.7
149.02448	1.9
157.02943	4.5
158.03711	1.2
159.04523	10.8
161.02451	1.1
161.04547	0.7
163.04071	0.6
164.04805	2.8
173.02417	2.7
173.04544	4.1
173.91225	0.7
175.00357	2.2
175.03951	3.3
177.01898	1.1
179.03572	1.4
185.02470	3.4
186.03238	0.6
190.02737	8.1
191.03784	1.2
191.05626	33.5
192.05956	1.1
193.06645	1.1
201.01944	0.9
203.03548	0.8
205.03273	1.0
205.05052	8.5
206.05708	1.3
211.07657	1.2
221.06047	2.0
221.08038	1.1
223.06116	4.1
224.04779	0.7
229.01433	27.6
230.01825	1.8
237.07779	1.0
238.06422	1.5
239.07143	3.0
249.05582	4.4
250.06271	2.4
251.07043	1.8
252.04445	1.0
253.05045	2.0
254.05666	0.7
265.04974	1.1
265.07211	5.8
266.05795	2.2
267.06616	18.3
268.06949	1.0
269.08228	6.8
277.05066	10.0
278.05762	2.3
280.03879	1.0
293.04568	4.0
294.05304	2.3
295.06027	17.4
296.06564	1.1
313.07199	3.7
325.09323	2.1
339.05106	100.0
340.05411	7.1
357.09775	2.0
385.11346	1.2
427.12399	3.0
471.15457	0.7
487.12262	0.6
493.13351	0.7
531.09955	2.9
531.17859	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	531.1151
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
59.01382	4.2
61.89272	1.0
66.95927	2.6
69.03477	1.1
69.26534	10.9
71.01409	5.4
73.02965	1.5
77.63362	0.9
82.95428	81.3
85.02962	15.4
87.00874	2.6
89.02413	1.3
93.03476	10.3
96.96015	2.0
99.15517	1.1
101.02467	2.2
109.02969	17.9
111.00887	1.8
111.04546	2.3
112.46653	1.3
113.02451	1.6
117.03486	1.3
119.05035	2.4
121.02958	3.8
123.04530	1.2
127.04023	2.4
129.01941	2.2
133.02989	3.4
135.04541	5.8
137.02467	3.2
145.02951	8.2
147.04524	11.8
149.02478	2.8
155.03484	1.3
157.02969	6.3
158.03769	1.3
159.04529	13.1
161.02481	2.3
161.04607	1.1
163.04144	1.7
164.04781	2.2
173.02379	2.2
173.04559	11.2
175.00389	3.1
175.04015	3.8
177.01987	2.0
179.03447	1.7
185.02458	4.4
190.02780	7.5
191.05635	64.7
192.06042	2.0
201.01921	2.4
203.03548	1.3
203.06993	1.0
204.45714	1.1
205.05049	7.5
206.05795	1.7
221.06091	3.1
221.08118	1.4
223.06168	3.8
228.99190	2.1
229.01440	34.5
230.01949	1.5
239.07069	2.8
243.06754	1.3
249.05653	7.2
250.06271	2.2
251.07172	2.0
253.05205	5.4
265.07230	3.9
266.05649	2.5
267.06686	17.8
268.07056	1.3
269.08258	7.0
277.05096	11.8
278.05905	3.1
280.03854	2.0
284.03448	1.2
293.04651	6.1
294.05316	1.5
295.06049	22.0
297.04041	3.8
313.07239	4.0
325.09061	2.1
327.05069	12.2
328.05261	1.1
334.40085	1.3
339.05124	100.0
340.05447	4.6
357.06143	4.4
357.09906	3.0
367.10364	2.9
427.12439	2.9
447.09195	12.6
487.12363	2.2
518.41650	1.2
531.10876	11.9
531.17090	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	531.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33839	2.5
52.44197	2.4
57.03465	3.2
58.00611	3.6
59.01392	45.7
61.98838	5.1
63.55235	2.8
67.01895	4.2
68.99824	4.1
69.38637	12.1
69.39070	10.8
71.01392	52.9
72.99319	9.1
73.02950	3.1
75.00893	4.7
78.95924	6.6
83.01406	7.8
85.02962	27.0
87.00890	17.3
89.02457	32.5
93.03456	8.8
94.47095	3.1
96.96024	100.0
96.96989	7.2
99.00890	10.0
101.02469	18.3
108.02184	8.3
109.02966	8.1
111.00877	30.0
111.04501	4.4
111.18130	2.5
113.02470	18.3
113.99553	3.1
115.00402	24.6
119.03539	15.1
121.02955	13.1
123.00896	2.8
123.04560	5.5
127.00403	7.3
128.50476	2.6
129.01945	9.2
133.02972	4.2
134.03769	21.2
135.04506	10.8
137.02480	6.3
143.03482	4.6
146.03711	4.2
147.04573	4.1
148.01656	6.7
148.05327	11.0
149.02481	2.9
149.06096	9.7
150.03223	5.5
151.04050	4.9
152.01170	2.8
158.03758	3.8
159.04524	5.3
160.05478	3.2
161.02444	6.2
161.04594	7.3
162.03220	11.3
163.04021	12.7
164.04817	22.4
165.05562	6.6
173.04652	6.0
174.03268	5.2
175.02490	49.8
175.04015	12.8
177.01984	3.1
177.05565	20.2
178.02693	4.8
179.03531	5.2
179.05592	9.9
179.07040	3.4
179.29311	2.5
188.04727	4.8
189.05653	5.5
190.02757	3.4
190.89265	3.2
191.01985	3.9
191.05650	17.3
192.04295	11.2
192.05818	3.1
193.05110	27.7
194.02248	4.7
194.05383	4.7
195.06682	5.0
202.02690	9.4
203.03505	9.5
204.04305	3.5
207.06656	34.4
216.04153	3.0
217.05099	8.0
219.06689	6.8
220.03737	27.7
221.04529	4.8
221.08177	4.3
229.01456	6.0
229.05098	3.9
235.06137	83.5
236.06520	3.2
245.08284	4.0
246.05067	3.7
247.06116	16.2
249.07675	3.5
251.05603	80.2
252.06035	4.1
261.07861	3.7
263.09015	3.1
269.07953	4.6
271.06152	5.2
285.07800	3.6
289.07202	15.7
291.05103	30.3
307.08298	35.8
309.06296	4.0
323.07706	3.2
337.07687	5.6
339.05179	5.9
349.09290	7.3
351.07306	26.9
357.09961	3.0
369.08344	8.1
406.30774	3.1
513.12439	11.1
531.13348	34.0
532.15277	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	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13268	0.6
57.03447	2.2
59.01108	1.2
59.01385	15.8
61.98832	4.5
63.16248	0.6
66.00725	0.7
67.01899	1.1
69.03447	0.9
69.38485	1.6
69.38884	4.8
71.01388	9.2
71.05012	1.1
72.01735	0.7
72.99325	2.2
73.02952	3.1
75.00893	0.8
83.01398	2.4
83.05044	0.7
85.02954	7.0
87.00903	2.5
89.02448	4.5
89.44034	0.7
93.03464	5.8
95.01379	1.0
96.96026	4.2
97.02976	0.7
97.21826	0.6
99.00913	2.0
99.04543	1.1
101.02439	5.1
108.02176	0.7
109.02936	1.1
111.00887	3.7
111.04509	0.8
112.98851	0.6
113.02474	3.7
113.99615	1.3
115.00389	2.8
116.92889	0.7
117.03471	2.9
117.05647	1.1
119.05040	100.0
120.01255	0.7
120.05396	2.4
120.99646	0.8
121.02963	2.7
123.04543	0.8
125.02465	1.1
128.03535	1.3
131.03545	0.8
133.02960	2.2
134.03743	1.7
135.04538	3.0
137.02472	1.9
140.01202	0.7
145.02982	4.2
147.00935	1.0
147.04579	1.2
148.01717	1.4
149.02428	3.1
149.06146	0.8
150.03253	3.4
152.01118	1.2
160.01645	1.2
161.02466	2.3
161.04611	1.2
162.03206	1.2
163.04028	56.6
164.04756	3.3
165.05534	1.7
173.04608	4.7
174.01714	14.1
174.04927	0.8
175.00378	6.5
175.02554	1.3
175.04018	1.1
176.01170	14.1
177.01891	1.4
177.05592	12.4
178.02812	1.0
179.03502	1.7
179.05574	0.8
179.07095	0.8
180.04222	0.6
190.02748	15.5
190.04388	1.1
191.01775	1.0
191.03522	17.9
191.05627	9.8
191.07164	1.0
193.01370	0.7
193.05093	1.4
203.94313	0.7
205.05072	13.0
206.05745	0.9
206.67928	0.7
207.06554	0.9
209.04570	3.7
209.08051	0.7
223.06126	2.0
251.05656	1.8
267.08868	0.9
275.09427	1.0
283.06219	1.5
295.08344	1.1
296.99054	0.6
307.08313	1.8
311.05646	3.0
325.09274	2.1
339.08734	0.9
341.06644	0.8
353.08798	21.5
354.09161	0.8
367.10312	13.6
367.14612	1.0
368.10742	0.7
385.11453	55.4
386.11697	2.2
413.08820	2.8
449.14694	0.9
531.15057	20.7
531.27850	5.6
532.15167	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	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.3
57.03455	7.1
58.00596	5.5
59.01387	90.9
61.98855	1.4
69.03474	2.9
69.23925	2.3
69.24327	10.7
69.65379	1.2
71.01390	100.0
72.01749	1.4
72.99310	5.5
73.02957	31.8
81.03458	1.8
82.95415	2.6
83.01395	17.2
85.02957	38.8
87.00892	9.6
89.02454	75.9
90.42397	1.4
92.46587	1.2
93.03447	3.2
95.01394	12.4
96.96005	7.8
97.02969	22.5
99.00884	4.0
99.04533	4.3
101.02455	95.3
102.02798	1.7
109.02966	1.2
111.00904	2.7
111.04565	1.7
113.02465	75.2
115.04030	5.6
116.92896	1.4
119.03523	27.7
119.04995	1.8
120.99699	2.8
121.02964	2.0
125.02473	6.5
129.01965	2.6
131.03511	6.2
133.02986	1.8
134.03777	3.2
135.04485	2.8
136.99176	1.6
137.02454	4.1
137.09741	7.7
143.03508	20.7
149.04546	2.5
157.22839	1.4
161.02417	3.1
161.04575	80.4
173.04543	6.6
173.05846	1.3
174.04813	1.7
179.05640	47.7
179.07231	2.6
191.05624	7.1
193.05206	1.6
221.06670	10.4
263.07748	11.7
312.10367	3.1
327.12421	8.5
357.09671	2.5
369.10706	1.6
493.12650	2.0
495.31659	3.5
531.15863	1.5
531.28589	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	531.317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.9
61.98825	2.9
68.98293	1.2
71.01389	6.8
71.05030	0.9
71.56398	1.0
71.56855	1.3
72.30370	1.1
78.38013	1.1
78.95944	1.7
81.01871	1.0
85.02979	1.4
89.02447	5.2
96.96012	1.3
99.00922	1.0
101.02445	5.3
113.02476	1.5
119.03507	1.6
142.93919	1.1
161.04573	1.8
195.13925	13.5
253.09311	27.7
277.21756	13.2
295.22815	100.0
296.19275	1.1
296.23172	4.7
309.20670	1.2
441.35553	1.1
528.60168	1.1
531.29559	2.5
545.39935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3178
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
54.41517	1.0
57.03445	3.0
58.45998	0.9
59.01108	1.4
59.01383	18.7
61.98829	2.7
65.43248	1.1
67.01899	1.3
71.01383	17.2
71.55691	1.1
71.56079	1.3
72.99322	5.3
73.02935	1.2
75.00880	18.3
80.62975	1.1
85.02964	24.6
87.00890	7.8
89.02444	4.1
95.01389	4.4
96.95969	1.5
99.00869	10.9
103.00385	2.5
113.02464	29.0
117.01932	2.5
121.71774	1.2
126.62908	1.0
129.07454	1.1
139.00348	1.3
175.02470	4.6
205.07251	3.0
249.06187	7.6
267.07242	7.5
279.04297	1.1
279.23444	1.6
281.24866	76.7
282.25150	3.3
304.77484	1.2
513.30798	2.8
531.31787	100.0
532.32117	10.3
550.52673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.7
57.03455	11.4
57.59478	1.3
58.65543	1.1
59.01157	1.1
59.01388	15.8
61.50954	1.2
67.01895	2.1
68.99841	1.9
71.01402	14.7
71.01778	3.0
72.99303	3.1
75.00883	2.8
75.51387	1.3
83.01379	2.8
84.02180	4.4
85.02959	100.0
86.03297	1.8
87.00876	3.4
89.02447	8.9
89.04006	1.6
91.01902	3.2
93.03455	8.3
96.95996	3.8
101.02431	4.4
103.00369	2.6
109.02951	22.6
111.00903	2.2
111.04546	1.5
113.02439	3.0
117.03465	4.3
119.03455	1.8
119.05017	3.1
121.02975	2.8
129.01956	21.3
129.03470	1.9
131.05046	2.4
133.01457	3.8
133.03014	1.7
134.03706	2.3
135.04541	31.2
136.04880	1.9
137.02415	1.8
143.05032	13.8
145.02916	1.8
145.06609	1.7
146.03712	5.5
147.03069	12.2
147.04453	10.4
151.00336	2.3
159.04559	2.4
161.02469	6.6
166.02690	4.6
172.87054	1.5
173.00789	1.6
173.04539	20.3
175.03967	5.1
179.03500	16.0
181.05052	3.8
187.04019	1.5
190.02647	1.5
191.01984	62.5
191.05612	27.7
192.02252	1.3
205.01474	6.6
205.04974	2.5
209.03035	58.4
210.03294	1.5
211.07681	1.6
219.02956	4.6
229.01620	1.7
235.07758	6.5
251.07166	11.4
253.08730	47.7
254.08965	2.6
271.09695	1.4
279.06619	5.8
297.07697	14.7
297.10800	1.7
298.08154	2.1
315.08740	2.7
323.05640	20.3
329.06750	1.6
341.06686	13.6
350.46301	1.5
353.05087	1.7
353.08823	11.3
359.07639	2.7
371.06345	3.1
371.10849	7.5
408.58694	1.3
533.13202	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	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00626	0.9
55.01883	2.3
56.43056	0.8
57.03455	13.1
58.02962	1.3
59.01105	1.3
59.01392	18.5
61.98827	1.2
62.76218	0.9
62.98814	0.9
65.00330	1.2
68.99843	0.9
69.41840	1.9
69.42250	5.3
71.01395	11.0
72.99337	2.2
73.02919	2.1
74.02484	2.2
75.00873	3.8
83.01412	2.4
84.02168	2.6
84.95139	1.1
85.02962	100.0
86.03295	1.9
87.00894	3.8
87.34428	0.9
89.02452	6.1
91.01917	4.9
93.03450	4.9
96.96021	1.8
98.19887	1.5
99.00923	1.2
99.04572	1.1
99.05655	1.6
100.83875	1.0
101.02445	3.4
103.00372	2.3
104.13949	0.9
108.02163	1.5
109.02973	28.2
111.00887	1.6
113.02447	1.5
115.00367	1.4
119.03549	1.5
120.97218	0.9
120.99653	1.0
121.02947	2.7
125.02448	1.3
128.03558	4.9
129.01964	26.6
129.03412	1.6
130.04286	1.3
131.05045	3.2
133.01395	2.5
133.02982	1.2
133.38348	0.9
134.03766	2.7
135.04549	7.3
137.02415	1.8
143.05061	23.1
144.05292	1.2
145.02939	1.6
145.06535	1.1
146.03732	2.8
147.03032	12.4
147.04494	5.7
149.06090	1.1
153.01953	1.6
159.04530	3.0
160.00755	1.1
161.02524	1.4
163.02562	1.1
163.04063	0.9
166.02640	0.9
173.00987	2.3
173.04546	2.9
179.03462	5.3
181.05081	1.1
183.06514	1.2
183.74625	1.0
190.02785	1.2
191.01997	68.2
191.05609	7.7
205.05083	1.7
209.03052	54.6
210.03447	1.2
210.08740	1.9
211.03935	1.2
211.07693	1.3
219.02937	1.3
235.07631	12.2
236.08273	1.1
237.05710	1.4
239.03494	1.7
249.05301	1.1
251.07217	9.9
252.07642	2.3
253.08728	62.5
254.08957	2.9
257.04623	1.8
272.09079	1.7
279.06583	4.3
287.09302	8.2
297.07736	22.9
297.11023	1.3
298.07965	1.1
306.07697	17.1
323.05630	14.4
339.04898	1.2
341.06052	4.5
353.06375	1.9
371.06213	3.7
371.11279	9.1
372.11969	1.1
383.07663	1.7
428.06192	1.0
473.11349	1.2
491.17419	1.0
533.13208	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	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03453	7.9
59.01384	8.3
68.99827	0.6
71.01387	8.1
71.01773	0.5
72.99315	1.6
73.02947	0.7
75.00885	1.0
78.91893	0.8
80.91689	10.4
83.01394	0.9
84.02177	2.1
85.02958	63.5
86.03299	1.0
87.00886	1.4
89.02462	4.3
92.35077	0.4
93.03461	0.6
96.96029	0.7
99.04504	0.5
101.02454	1.8
103.00381	1.1
111.00900	0.9
113.02466	0.7
114.10120	0.4
115.00392	0.7
117.91978	0.4
119.04994	0.7
120.92795	0.4
120.99702	0.9
121.02995	0.4
129.01967	4.7
133.01428	4.0
135.04568	4.8
136.04924	0.4
136.36697	0.4
137.02467	1.1
147.02982	6.8
147.04485	0.9
161.02480	0.6
163.04044	0.6
164.04718	0.5
173.00935	1.5
173.04512	0.6
177.02066	0.4
179.03511	3.1
179.05692	0.4
179.73375	0.4
190.02769	0.7
191.01988	22.3
191.05598	0.8
205.05058	1.2
209.03035	100.0
210.03392	2.1
265.07202	0.6
352.97968	0.5
353.05276	2.0
371.06213	9.4
418.53391	0.5
503.09357	0.5
533.13135	1.5
534.15430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66594	0.8
57.03460	7.8
59.01378	7.3
60.80893	0.8
67.01900	1.0
68.99847	0.9
70.96426	1.5
71.01384	8.4
72.99303	1.6
75.00869	1.1
83.01379	2.2
84.02171	1.4
85.02962	68.0
87.00877	3.7
89.02451	3.2
93.03474	8.5
94.86058	0.8
101.02469	0.9
103.00400	1.2
108.02184	2.2
109.02961	8.5
111.00891	0.9
111.04517	2.2
115.00421	1.6
123.04504	1.3
127.04036	3.0
129.01941	3.9
133.01442	4.2
133.02991	1.2
134.03813	1.0
135.04547	18.5
137.02428	1.0
147.03030	4.4
149.06073	2.7
155.03609	1.0
161.02499	1.5
161.06070	3.3
161.82845	0.9
173.04536	7.9
175.04103	0.9
179.03514	9.1
187.03992	1.8
191.02025	22.9
191.05630	81.5
192.05908	1.3
209.03049	100.0
210.03331	1.1
241.04984	1.3
242.05865	8.5
243.06520	3.1
271.09784	10.9
297.07611	1.3
315.08469	1.3
341.06699	3.1
353.08859	2.6
359.07712	12.3
370.47089	0.8
371.06158	8.6
436.08536	0.8
533.13110	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	533.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03451	6.5
59.01382	7.8
60.94666	0.6
61.98825	0.8
67.01899	1.3
68.99809	0.8
71.01382	7.4
71.03822	1.1
72.99299	1.3
73.02925	0.7
73.20011	0.7
75.00874	1.4
83.01394	1.1
84.02168	1.5
85.02958	60.8
86.03289	1.2
87.00888	3.2
88.36655	0.6
89.02441	3.6
90.20497	0.6
93.03472	8.0
98.88957	0.6
100.71040	0.6
101.02463	1.3
103.00378	1.4
108.02168	1.7
109.02961	8.2
111.00835	1.0
111.04533	1.8
116.12971	0.6
120.38725	0.7
121.02968	2.0
123.04499	1.5
127.03983	2.0
129.01945	5.7
133.01450	2.6
133.02972	1.7
134.03732	1.1
135.04536	17.3
137.02483	0.9
147.03017	4.9
147.04556	1.5
149.06111	5.0
155.03496	1.7
156.40952	0.7
159.04521	1.0
161.02443	4.2
161.06097	4.5
163.03961	0.7
167.03461	0.9
173.00887	1.3
173.04568	11.9
174.28745	0.7
175.04028	0.9
179.03502	7.1
187.04018	5.3
191.02007	26.5
191.05620	63.0
192.05957	1.5
205.01479	0.8
205.05113	1.7
209.03036	100.0
210.03464	1.6
219.03098	0.9
231.02962	2.4
241.05093	1.2
242.05846	3.7
243.06596	1.6
253.08676	2.6
255.06439	0.9
271.09793	10.7
297.07782	2.8
315.08786	1.9
323.05664	0.8
335.07745	0.8
341.06635	7.1
353.04977	1.1
353.08759	4.2
359.07837	8.1
371.06143	10.4
371.09943	0.6
489.13919	1.4
520.69714	0.6
533.12964	11.2
534.14075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25519	0.6
55.01878	1.5
57.03457	7.4
59.01387	16.9
61.98818	2.7
68.99845	0.8
71.01389	10.3
72.99300	1.1
73.02947	1.8
83.01401	2.8
84.02182	1.7
84.95112	1.3
85.02960	68.0
87.00898	2.4
89.02454	8.2
93.03458	2.3
96.96029	1.8
98.20711	1.2
98.95612	0.9
99.04529	0.9
101.02464	3.9
103.00355	0.9
107.01426	1.8
111.00903	1.7
113.02477	2.5
113.24514	0.6
119.03539	1.7
119.05029	1.4
125.02431	1.1
128.13698	0.8
129.01950	8.9
133.01453	3.4
133.02956	3.6
134.03745	2.2
135.04520	7.0
137.02437	0.9
147.03004	8.7
147.04227	1.1
149.02510	1.5
151.00354	3.8
151.04016	0.8
160.86922	0.7
161.02455	2.7
161.04546	1.6
163.04015	1.2
173.01001	3.8
173.02216	0.9
173.04614	2.3
175.03970	1.4
179.03497	6.1
189.03786	0.8
191.01984	22.4
191.03665	1.3
191.05592	3.6
199.04073	1.5
205.05128	1.1
209.03043	100.0
210.03375	2.4
211.04027	1.0
229.19312	1.0
229.82460	0.7
241.05186	1.0
243.03105	0.9
253.14421	0.8
255.03017	1.1
256.03784	2.6
271.02518	3.8
284.03281	36.4
285.04068	51.2
286.04398	2.7
299.02023	6.0
300.02722	1.0
314.04346	7.0
327.05255	1.8
329.06702	14.7
353.05154	2.1
353.09296	1.1
371.06235	18.3
371.10776	1.4
489.10403	51.0
490.10892	4.8
533.12897	17.8
533.20569	0.9
533.29816	2.3
534.13513	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	533.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60555	0.6
55.01891	1.5
57.03455	7.7
59.01386	11.9
67.01892	2.1
68.99850	0.7
69.03462	1.0
71.01392	12.9
71.56542	1.1
72.99334	2.9
73.02953	1.3
75.00877	6.8
83.01419	2.7
83.05027	0.9
83.62618	0.7
84.02202	2.0
85.02964	85.9
86.03324	1.2
87.00894	4.9
88.98804	0.7
89.02465	6.5
89.03999	1.2
91.01884	0.8
93.03475	15.0
93.04026	1.2
96.96021	6.9
99.00933	1.3
99.04533	0.8
101.02460	3.9
103.00410	2.7
107.05029	1.8
108.02215	1.1
109.02962	9.3
111.00901	2.5
111.04539	3.6
113.02452	1.1
115.00366	1.0
117.03495	6.0
119.03543	0.9
119.05015	1.4
121.02982	5.7
121.06635	1.4
123.04554	3.9
127.04004	2.1
129.01953	11.6
131.05031	1.1
133.01437	3.0
133.02974	4.0
134.03769	6.0
135.04544	100.0
136.04918	2.1
137.02452	4.3
143.05083	4.0
145.03006	1.5
146.03734	1.8
147.03018	7.3
147.04549	4.5
148.05235	1.4
149.02452	3.3
149.06111	13.6
155.03496	2.6
157.73087	0.7
159.04584	0.7
160.04039	3.0
161.02472	7.6
161.04591	0.9
163.03969	1.8
164.04803	3.0
165.02010	0.8
173.00977	1.3
173.04572	18.0
175.00374	1.8
175.04013	5.8
178.02690	0.9
179.03522	49.5
180.03894	1.7
181.05133	0.8
187.03957	0.8
190.02756	4.8
191.00235	1.6
191.02008	35.9
191.05632	69.9
192.02411	0.9
192.05951	1.9
193.05069	1.5
205.01462	7.3
205.05096	5.5
208.03775	1.1
209.03047	92.6
210.03395	1.5
219.02975	5.3
223.06187	8.4
235.07707	1.7
251.07149	3.1
253.08731	12.2
265.07141	2.3
271.09805	13.9
297.07739	7.7
315.08752	20.1
323.05515	3.7
327.09387	6.1
335.07904	0.9
341.06708	19.8
342.06787	1.2
353.04959	1.1
353.08832	8.0
359.07755	8.4
371.06143	8.4
371.10455	1.8
390.69873	0.8
411.09302	4.6
515.12207	1.7
533.12964	48.5
534.13867	4.1
540.93982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
61.77740	0.4
66.57827	0.4
67.01891	0.5
69.88364	1.9
71.01391	1.7
81.03425	0.6
85.02957	11.0
85.84718	0.4
87.00884	2.3
93.03465	3.3
108.02161	0.8
109.02955	1.5
111.04539	0.9
115.00360	0.5
117.62605	0.4
121.02990	0.4
123.04563	0.5
127.04055	2.1
135.04533	1.7
147.03004	0.4
154.50050	0.4
161.06116	0.7
171.02818	0.5
173.04561	2.5
179.03462	0.9
191.05630	100.0
192.05966	2.5
209.03008	3.6
241.05154	0.5
242.05846	0.8
271.09811	1.7
330.01276	0.4
359.07864	1.6
371.06339	0.5
533.13562	0.7
554.10791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30132	0.3
54.85132	0.3
56.35701	0.3
59.01380	1.4
67.01874	0.4
69.58225	0.9
69.58651	0.8
71.01382	0.9
76.52499	0.3
81.03457	0.5
83.05063	0.3
84.93449	0.3
85.02963	9.5
86.03288	0.3
87.00880	2.3
93.03474	3.3
98.19926	0.5
101.02475	0.3
109.02974	1.0
111.04520	1.1
127.04057	2.0
129.01938	0.4
147.02965	0.3
171.02979	0.5
173.04575	1.2
180.96193	0.3
191.05635	100.0
192.05931	2.0
208.62515	0.3
212.90791	0.3
214.37090	0.3
242.60471	0.3
247.69084	0.3
312.53348	0.3
318.59558	0.3
354.26031	0.4
519.25153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08135	0.9
57.03454	5.1
59.01385	23.7
69.63882	1.9
69.64292	4.2
71.01389	19.4
72.99322	2.3
73.02942	2.2
75.00890	3.2
83.01392	1.6
84.02167	1.0
85.02958	45.4
87.00923	2.2
89.02453	10.8
91.01920	2.3
93.03484	3.5
96.96014	2.5
98.20618	1.8
99.00875	0.9
101.02459	8.5
103.00388	1.4
108.02211	0.9
109.03006	4.0
111.00959	1.2
111.04509	1.3
113.02475	4.7
117.03428	1.8
119.01408	4.5
119.03526	3.8
119.05061	1.7
121.02965	6.3
129.01988	5.5
129.03418	1.0
132.02197	1.0
133.01532	1.1
133.02971	1.7
134.03807	1.2
135.04546	17.1
136.04855	1.0
137.02437	2.3
143.05057	2.4
145.02998	1.6
146.03671	1.2
147.00912	4.0
147.02998	5.6
147.04500	4.8
147.06627	1.5
149.02460	33.9
152.01199	1.8
155.03522	1.5
161.02455	3.3
161.04581	0.9
163.04031	3.5
164.04803	30.6
165.01984	1.1
165.05428	1.4
165.07704	7.3
169.26315	0.9
173.04570	7.5
174.98830	1.7
175.00377	34.9
175.03984	1.1
176.00978	1.1
177.05621	1.8
179.03517	6.1
179.07100	4.8
181.05110	1.1
181.86325	0.9
183.06746	0.9
190.02737	85.1
191.01897	16.3
191.03447	4.3
191.05585	11.7
205.05072	98.8
206.05676	5.7
207.03046	2.0
208.03810	3.3
209.03041	50.0
219.02959	1.5
221.08240	7.1
223.06133	61.1
224.06482	2.7
237.07777	3.0
251.07227	2.5
253.08826	4.9
265.07205	21.1
265.09888	1.7
267.06555	1.7
282.08963	1.7
295.08331	3.4
297.07700	1.7
297.11188	1.7
309.12048	1.7
323.05716	3.4
325.09418	4.0
327.09515	1.2
327.13110	1.7
329.06293	0.8
335.07828	1.1
353.08966	3.8
367.10437	2.5
371.06235	2.8
371.11069	6.4
515.12439	1.2
533.18988	100.0
534.19403	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	533.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03442	2.2
58.00594	0.6
59.01389	20.3
61.98831	1.4
71.01392	17.9
71.22071	0.6
72.99316	1.1
73.02959	4.6
77.73889	0.5
81.81730	0.5
83.01401	3.2
85.02962	10.9
87.00876	1.5
88.95947	0.5
89.02457	10.4
93.03474	1.7
95.01415	1.7
96.83843	0.5
96.96037	0.6
97.02953	0.6
99.00910	2.0
101.02450	15.4
105.65374	0.6
109.02980	1.2
111.00881	1.7
111.04531	0.7
113.02460	7.9
119.03503	4.9
119.05050	1.4
121.02967	5.5
121.05045	0.9
122.03755	2.0
123.00886	1.5
123.04538	1.0
124.01668	0.8
125.02457	1.0
129.01956	0.7
134.03789	0.9
135.04567	3.3
136.01707	0.8
136.05296	0.8
137.02492	2.9
137.06059	0.8
143.03554	1.5
143.05054	1.4
145.02968	1.2
145.42383	0.6
147.04565	3.5
149.02458	1.8
149.06096	0.5
150.03241	7.0
151.03963	1.0
153.05562	0.9
158.03751	3.8
159.03163	0.9
159.04526	13.2
160.05322	37.5
161.02513	0.9
161.04581	6.3
161.06073	11.6
161.09718	1.1
162.03262	0.7
162.06454	0.7
163.04005	7.8
164.04817	4.6
173.01035	0.7
173.04552	1.8
173.06097	4.6
174.06940	0.5
175.07660	28.7
176.04791	1.1
176.07994	1.4
177.05579	6.9
178.06380	8.9
179.03505	1.8
179.05630	2.4
187.11330	1.1
189.09203	0.8
191.02019	0.8
191.05602	2.9
192.07985	1.6
193.08682	2.0
209.02971	1.3
209.15504	0.8
279.06888	0.7
281.06586	0.5
282.09061	0.7
283.10428	0.7
323.05551	0.9
329.13968	100.0
330.14206	5.8
338.08188	0.6
353.10104	3.3
371.11371	1.3
371.20734	10.3
371.24927	0.9
373.60840	0.6
473.18185	0.7
533.12903	1.2
533.26154	11.4
534.26654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
61.98825	1.5
65.46906	0.5
69.69713	2.5
78.95914	7.5
83.90187	0.4
85.06580	0.9
96.44689	0.4
96.57024	0.5
96.96045	1.4
110.98551	5.3
165.12901	0.9
167.01163	2.1
181.12305	0.6
185.00766	0.6
185.02159	3.6
199.13399	11.5
199.29323	0.6
205.43608	0.5
279.19647	9.4
280.20175	0.5
347.25952	5.9
347.66306	0.7
365.26984	100.0
366.27356	8.2
533.28851	15.9
534.29352	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73220	0.5
55.01889	0.8
57.03448	1.9
58.02982	6.0
59.01384	14.1
60.48643	0.6
61.98828	2.5
62.04684	0.5
63.17568	0.5
65.51606	0.5
69.28065	3.9
69.28470	1.4
71.01379	8.3
72.00906	0.7
72.99316	1.1
73.02966	1.3
74.02481	13.1
75.00866	0.8
77.70701	0.5
81.04573	0.5
82.02991	1.3
84.02168	0.6
84.04504	0.6
84.95132	0.8
85.02960	19.7
86.02493	4.7
86.03291	3.5
87.00890	1.6
87.05637	2.9
88.04079	0.7
89.02442	6.6
90.00213	1.0
91.01896	1.1
93.03469	1.1
95.01381	0.6
96.96002	0.5
97.04080	1.2
99.05654	10.9
101.02459	4.2
101.07214	1.4
102.05617	1.8
107.06164	1.1
108.02200	0.6
109.02966	4.0
109.04098	1.4
110.03273	1.0
111.00884	0.9
111.05643	0.6
112.04057	1.0
113.02466	3.9
116.00825	0.6
116.01776	0.9
119.03533	3.2
120.01229	1.7
121.02966	1.1
123.05649	1.0
125.03568	1.2
126.81727	0.5
127.05145	2.2
128.03554	31.0
129.01939	3.5
129.04005	0.5
130.02284	1.1
133.02936	0.7
134.03804	0.8
134.06126	0.9
135.04523	3.9
135.05652	3.0
136.04881	0.9
141.06700	2.1
143.04628	43.2
144.05260	1.3
145.02914	0.8
145.06232	1.0
146.03615	0.8
146.04674	3.4
147.03020	1.7
147.04451	0.9
149.04561	0.6
149.06120	0.6
149.07242	0.8
153.06737	3.0
160.00754	10.9
161.02457	0.7
161.04573	0.9
166.09883	1.6
167.04681	2.9
167.08319	1.4
170.03296	0.7
171.04224	0.6
171.07852	0.6
173.04594	1.3
177.03395	4.3
179.03452	1.4
179.04678	7.8
180.03922	1.2
181.06155	1.2
184.10851	0.8
185.05688	1.3
191.01996	8.3
191.05611	4.0
192.02437	2.9
192.03970	0.5
192.05945	1.1
193.05035	0.6
197.05786	1.3
198.08832	0.8
209.03056	9.9
209.11856	1.1
210.03372	2.3
210.08864	8.6
235.07629	0.7
236.08020	0.9
237.68643	0.5
242.07864	1.3
252.07486	0.8
253.08743	3.5
254.07959	9.0
272.06232	1.0
272.08936	18.8
273.06958	0.6
287.09195	2.5
288.06598	6.1
288.09650	3.8
297.07797	1.4
298.07947	2.4
306.07678	100.0
307.07932	4.0
317.49243	0.6
324.06036	1.6
342.06961	0.8
359.87936	0.6
371.11438	0.8
372.07086	1.0
372.11761	2.0
389.86560	0.5
475.21902	1.2
493.23508	0.8
503.16855	2.8
534.13129	2.6
534.21448	4.8
534.29120	0.7
535.14832	0.9
535.27301	1.2
535.36365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
60.68179	0.3
61.98837	100.0
69.97084	1.3
71.01417	0.5
78.95905	0.6
85.02966	0.4
88.72603	0.3
92.25911	0.3
96.96014	0.3
191.05783	0.4
223.60664	0.3
317.62994	0.3
392.40326	0.3
534.29773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54009	0.6
61.98837	100.0
65.64675	0.7
79.82818	0.5
96.96000	4.0
139.09402	0.6
229.42186	0.8
534.35730	2.1
535.30756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
56.59840	0.7
57.03446	2.2
57.14768	0.7
59.01387	25.6
61.98827	2.2
64.01733	0.7
67.34561	0.7
71.01385	12.7
71.05033	1.4
72.99322	1.3
73.02963	3.9
74.07449	0.7
74.23079	0.7
74.99142	0.9
75.00889	0.7
77.03980	2.9
77.41471	0.7
81.03473	0.9
83.01401	3.1
84.95165	0.7
85.02957	9.8
86.98488	0.9
87.00890	2.0
87.04565	0.8
89.02454	9.0
93.03471	4.9
95.01401	1.1
95.05042	15.1
96.96021	2.0
99.00837	0.9
99.04568	0.8
101.02456	11.0
105.03474	3.8
108.02187	1.0
109.02972	1.2
111.00920	1.0
113.02464	6.6
116.92866	1.0
119.03507	5.4
120.99667	2.2
121.02966	4.5
123.04542	100.0
124.04859	1.6
125.02454	2.0
134.03809	3.8
135.04573	5.1
135.98386	3.1
137.02460	2.4
143.03491	1.5
147.22128	0.7
149.02460	56.6
149.06126	1.7
150.03139	1.0
151.04051	0.8
152.01141	1.3
153.05624	2.4
155.10811	0.9
160.01672	2.6
161.02477	1.4
161.04599	3.4
163.04114	0.9
164.04819	1.8
165.05551	1.0
167.05444	0.6
173.04599	2.8
175.04044	2.8
178.02724	1.0
179.03555	2.1
179.05618	1.8
190.02727	3.2
191.03775	0.7
191.05661	3.2
193.05077	1.6
205.05078	2.1
215.12877	0.9
223.06232	2.1
265.07129	2.0
313.85294	0.7
325.09442	1.3
337.09396	2.4
356.54855	0.6
367.10300	1.5
373.18817	2.0
373.26096	1.4
443.11844	0.8
475.21411	0.8
491.12051	0.9
493.22903	2.3
535.18158	1.1
535.23553	1.8
535.31140	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	535.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01384	29.8
64.23541	0.4
71.01392	3.8
71.25429	1.1
71.96301	0.5
72.99315	0.9
73.02950	0.5
82.53332	0.5
83.01394	0.9
85.02959	17.1
87.00893	1.0
88.00118	0.5
89.02458	1.6
93.03482	2.4
96.96042	1.6
101.02429	1.3
108.02183	1.5
109.02985	4.4
110.03333	0.7
113.02518	0.7
115.00384	2.4
117.05590	0.8
119.03494	0.5
119.05028	1.3
121.02979	1.7
122.03748	5.3
123.04510	1.1
124.01674	0.6
129.01971	2.5
133.01472	0.5
133.02959	1.7
134.03802	0.6
135.04539	6.3
137.02444	1.4
145.02922	0.7
147.03024	2.2
147.04541	1.0
148.05368	0.8
149.02432	1.9
149.06104	2.8
150.03236	37.7
151.03745	0.6
161.02496	2.6
161.06064	1.4
163.04065	0.8
165.05583	100.0
166.05931	3.4
167.03558	1.1
173.04602	1.6
174.04886	0.9
175.02496	2.2
175.03917	1.0
177.01985	1.0
179.03526	2.2
191.01999	8.9
191.03682	0.9
191.05594	4.5
192.05963	1.4
193.06224	1.0
209.03018	6.3
209.04634	0.6
211.03575	0.5
211.06067	0.7
213.05675	1.1
213.07686	12.6
219.02969	0.7
226.06410	0.9
227.07370	0.5
233.04634	1.1
237.04164	1.0
241.05005	0.6
242.05826	1.9
243.06299	1.4
244.06480	0.7
255.10309	4.6
257.08237	1.5
270.09042	0.9
271.09750	1.7
272.09958	0.9
273.10602	1.4
283.09900	0.6
285.11386	5.4
312.05798	0.5
319.04660	0.7
329.10361	0.8
337.05618	3.8
343.08191	3.8
359.07733	1.0
361.08575	2.1
491.84747	0.6
499.11005	5.9
500.10748	0.6
535.14642	5.2
536.14813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03454	1.9
58.00596	4.7
59.01385	100.0
60.01720	0.9
60.22399	0.3
61.98840	0.9
69.74197	1.2
69.74598	0.5
71.01389	63.2
72.01736	0.7
72.17902	0.3
72.99319	5.0
73.02951	3.0
75.00863	0.5
81.03538	0.3
83.01392	3.1
85.02958	16.1
86.03303	0.4
87.00883	3.8
89.02454	87.5
90.02777	0.9
93.03467	0.8
95.01384	4.3
96.96019	0.5
97.03011	0.5
98.20555	0.5
99.00887	1.0
101.02453	36.7
102.02843	0.4
103.00207	0.3
104.55898	0.3
107.14157	0.3
109.02968	0.6
110.66905	0.3
111.00904	1.0
113.02462	27.5
114.02863	0.6
119.03516	38.0
121.02975	1.1
124.01695	0.5
125.02448	1.1
128.03572	0.4
129.01971	0.6
131.03519	3.3
134.98123	0.3
135.04515	1.0
137.02444	0.5
139.00363	0.6
140.28635	0.3
143.03505	6.1
147.03059	0.5
149.04573	3.4
153.26176	0.3
159.03133	0.3
159.04498	0.5
161.02480	0.6
161.04575	6.6
166.64133	0.3
173.04657	0.5
177.01897	0.5
179.03441	0.7
179.03763	0.5
179.05624	14.3
180.05927	0.6
187.78358	0.3
191.01967	0.9
191.03578	0.5
191.05614	1.4
192.04317	0.5
192.73035	0.4
209.03030	0.6
210.03310	0.4
221.04535	0.9
236.03258	1.9
246.75688	0.3
251.05591	2.4
291.09958	0.3
311.09317	0.5
315.73203	0.3
325.25952	0.4
339.04865	0.4
355.08313	0.4
355.21292	1.2
356.21802	0.3
373.09216	3.7
373.22247	1.3
475.22134	0.7
489.93930	0.3
493.22845	0.9
505.18484	0.3
516.90735	0.3
535.27637	46.6
536.28064	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	535.3125
Annotation	glas#24
Peak:m/z	Relative Intensity
52.27360	1.2
52.83085	1.4
55.01885	5.9
57.03455	8.8
58.00599	4.5
59.01387	100.0
61.98832	2.2
63.96239	2.0
69.24290	12.8
71.01390	86.0
71.05034	1.3
72.02121	1.3
72.99311	7.5
73.02953	22.6
81.03474	1.2
83.01402	8.8
83.05081	1.2
85.02964	33.6
87.00898	5.8
87.04540	4.5
87.91893	1.3
89.02455	69.1
93.03473	1.7
93.07117	1.8
95.01398	6.2
96.96027	1.3
97.06618	3.5
97.08226	1.4
98.20663	2.7
99.00883	6.1
101.01791	2.7
101.02458	56.1
102.02819	1.4
106.77874	1.2
109.02971	2.1
109.06585	1.5
111.00893	2.2
113.02461	36.7
116.92857	1.6
119.03521	31.0
121.02995	1.5
123.04572	1.9
125.02510	2.5
131.03542	3.5
133.03049	1.5
135.04541	1.9
135.08226	1.5
135.98352	1.8
143.03546	5.6
143.10802	1.3
145.03050	1.6
149.04549	2.1
153.09288	1.4
159.03053	4.9
161.04559	23.0
167.10788	2.1
173.04532	2.8
179.05634	11.2
187.13475	3.2
191.05682	2.4
197.11795	1.3
201.11299	3.1
201.14961	2.6
215.12914	4.8
216.13722	4.2
228.86653	1.4
243.16077	1.8
245.17651	1.8
313.07126	1.5
319.17838	1.6
333.19122	2.1
337.23843	1.9
355.11902	1.7
355.24939	2.5
361.09439	1.9
363.20276	76.1
364.20706	3.9
373.25967	33.3
374.26617	1.9
391.23404	1.8
517.30530	4.7
535.31433	89.2
536.31561	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	536.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39548	0.3
51.40450	0.4
59.01395	0.9
61.98837	100.0
65.69418	0.4
68.25128	0.4
71.01394	0.9
71.55048	0.5
74.58492	0.4
75.00951	0.4
85.02971	1.7
88.13007	0.4
89.02434	0.6
96.96037	4.2
97.02997	0.4
101.02472	0.5
102.13002	0.4
109.02969	3.2
111.00898	0.4
115.00406	0.8
116.05116	0.5
121.03004	0.4
129.01991	0.5
133.02997	0.6
134.82054	0.4
135.04543	7.9
136.04915	0.4
143.05052	0.5
149.06111	5.7
151.04027	0.4
161.02475	1.2
161.06151	1.3
163.07750	0.6
171.04593	0.7
173.04611	0.5
174.03320	0.9
175.02571	0.7
175.04001	0.8
177.01889	0.6
177.05624	1.3
179.03542	1.0
180.03987	0.4
181.05090	0.5
189.05602	7.2
189.07292	0.4
191.01910	0.4
191.05675	1.3
191.07222	0.5
194.28658	0.4
203.08389	0.8
207.06657	6.4
209.03030	0.7
220.03871	0.4
221.04639	1.7
231.06673	0.9
235.06113	1.2
237.04056	0.6
238.04555	0.6
239.05669	0.9
249.07813	0.9
271.08640	0.4
293.06818	0.4
311.07809	1.8
311.11304	0.8
337.05774	1.2
338.06140	1.2
349.62314	0.4
369.11920	1.1
383.09982	0.7
401.10989	1.3
411.12949	0.4
413.10925	7.8
415.12613	0.5
443.12256	1.8
473.13016	4.7
499.11105	1.6
500.11310	3.0
536.14246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37938	1.2
56.26702	1.2
60.48053	1.0
61.98837	100.0
62.05112	1.1
71.19051	1.9
80.19186	1.0
92.65963	0.9
96.96004	4.5
259.25638	1.5
389.02606	1.3
473.36218	4.8
536.31384	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	536.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33068	1.7
61.98838	100.0
78.84717	1.2
78.95899	2.6
84.79486	1.6
96.96031	8.0
98.19894	4.1
137.91449	1.4
157.44014	1.4
161.35628	1.3
211.37720	1.5
229.42619	1.7
300.52594	1.5
476.16803	1.5
536.31329	2.6
537.32288	5.1
541.71429	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	536.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.81783	2.0
72.32670	0.8
96.96004	2.7
149.88568	1.0
160.84857	0.8
211.36476	0.9
260.80844	0.8
325.27896	1.0
537.32458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56034	1.1
56.98833	1.2
57.33589	1.1
59.01386	16.5
60.99308	11.0
61.98881	1.1
71.01399	11.2
71.11848	1.0
83.01376	1.6
85.02954	4.7
88.98823	57.4
89.02457	10.3
90.02789	1.6
93.03475	2.6
95.95917	1.0
101.02441	6.4
109.02948	1.8
113.02467	3.8
119.03539	5.2
119.04974	1.4
120.01234	1.5
121.02950	3.0
125.02470	1.5
126.97028	1.0
133.02980	11.3
134.03708	1.4
135.04500	4.4
136.01695	1.3
137.02455	3.5
146.19611	1.2
147.04599	2.6
149.02425	2.3
151.03972	3.3
161.02451	4.9
163.04022	3.5
165.01880	2.4
165.05537	1.5
173.04630	2.8
175.04015	3.9
179.03391	2.6
179.05672	1.8
184.70688	1.2
191.03575	1.9
191.05685	2.2
192.83702	1.0
193.01357	2.1
201.02048	2.1
205.05231	1.3
211.56047	1.3
263.60004	1.2
265.07196	1.8
269.04523	1.4
270.05545	1.3
284.03278	10.0
285.04041	7.4
297.04050	13.4
298.04764	7.4
299.05609	18.5
300.05899	1.6
311.05661	3.5
327.05124	100.0
328.05453	5.1
339.05115	3.0
357.01761	1.7
357.06180	26.8
369.06061	3.0
393.05762	1.3
447.09357	86.2
448.09784	5.6
536.27759	4.8
537.14197	1.9
537.27954	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1255
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.95924	0.5
58.60632	0.5
58.60964	0.5
59.01379	1.5
69.03458	2.7
69.35892	4.6
71.01396	0.8
75.71162	0.5
79.01902	1.2
81.03461	1.3
81.16140	0.5
81.20295	0.5
81.48049	0.6
83.01425	1.3
85.02972	0.7
89.09857	0.6
95.01396	3.3
97.02953	2.3
98.20660	0.9
101.02474	0.7
107.01387	2.1
108.02176	1.0
109.02990	0.7
113.02438	0.7
121.02936	1.6
123.00903	10.4
124.01682	24.3
125.02470	44.6
128.59055	0.5
132.12856	0.6
137.02467	2.4
139.04012	1.6
149.02467	5.3
149.99614	40.9
151.00414	3.4
163.27762	0.6
164.04782	4.1
165.01917	0.6
167.03496	1.5
168.00668	61.8
169.01421	4.9
175.00406	2.9
190.01190	0.9
190.02742	8.2
191.03384	0.9
203.03691	0.5
205.05107	7.5
208.03751	0.7
223.06244	2.8
223.08176	0.6
264.65762	0.6
304.73792	0.7
307.05737	0.7
313.05804	3.3
331.06741	17.6
332.06647	0.7
356.05670	0.6
466.14963	0.6
505.10074	0.7
519.11340	1.5
537.12543	100.0
538.12909	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73886	2.6
59.01112	4.2
59.01388	68.9
63.71877	2.6
67.70148	3.0
69.03456	4.5
69.41513	21.6
71.01004	4.7
71.01392	68.0
72.30961	3.5
73.02945	10.4
76.89426	2.5
83.01391	5.5
85.02944	15.3
87.00904	5.3
89.02452	100.0
93.03446	4.8
96.96042	5.3
97.02966	7.7
99.00887	11.3
101.02442	17.4
111.00915	4.0
111.03386	2.8
113.02452	11.7
115.04086	4.1
119.03529	3.0
125.02473	32.6
131.03513	18.0
135.04556	7.1
141.88919	3.1
149.04576	19.4
151.04002	3.6
153.01953	24.1
157.14723	2.7
168.04282	18.3
173.04559	6.1
183.06659	3.3
191.05632	20.8
233.06685	23.0
293.08804	69.3
325.82562	2.9
353.20712	2.8
435.94901	2.7
477.16672	3.3
490.06317	3.0
555.65631	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	537.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03455	47.1
58.00598	2.6
59.01387	100.0
59.33071	0.6
60.01717	1.2
61.98835	1.1
70.84509	1.8
71.01390	37.6
72.99308	1.7
73.02957	7.5
75.00883	1.3
81.03487	1.7
83.01413	3.3
85.02962	11.5
87.00893	3.2
89.02455	47.2
90.02793	1.1
95.01412	1.8
97.02991	0.8
97.06593	0.7
99.00902	1.9
99.04531	46.3
101.02457	32.1
111.00912	0.8
113.02464	15.8
119.03507	10.7
120.99641	1.1
121.02978	1.6
125.02464	26.3
131.03517	8.1
135.04518	0.7
143.03537	5.0
149.02504	1.4
149.04567	14.4
149.99582	1.2
151.00400	0.8
153.01941	1.4
153.99092	3.4
155.10844	0.7
159.03018	0.7
161.02437	0.7
161.04587	5.3
164.04843	0.9
167.03571	0.8
167.26585	0.8
168.00661	1.8
169.01448	7.4
173.04588	1.7
179.05594	8.1
190.02771	1.6
191.03586	0.6
191.05634	3.8
203.12984	1.1
204.63248	0.8
205.05125	1.5
217.14455	1.0
218.55022	0.9
234.63026	0.7
261.13535	3.2
288.63861	0.9
357.25958	0.9
363.20264	10.6
375.16568	2.6
375.27557	5.4
393.17703	40.9
394.17996	2.4
435.18890	7.0
519.32117	1.5
519.92114	0.8
526.02679	0.8
536.31781	1.3
537.13049	2.3
537.22260	5.2
537.32898	20.7
538.33429	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	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.4
57.03441	7.8
59.01385	99.7
61.98831	16.3
71.01007	5.5
71.01390	97.7
71.56894	4.1
72.99334	7.5
73.02950	28.3
74.02477	5.0
79.95773	3.3
83.01414	17.1
84.52839	3.1
85.02960	48.4
87.00895	15.3
89.02447	38.2
93.03487	14.2
95.01363	9.1
96.96023	57.8
97.02975	3.9
99.00887	15.9
101.02451	78.9
111.00864	5.7
113.02451	44.8
119.03513	13.5
119.05064	3.2
121.02950	10.9
123.04511	4.3
125.02459	9.8
135.04524	3.1
136.76849	2.9
137.02448	16.8
159.03033	7.0
161.02452	3.9
161.04570	39.7
163.03986	3.6
167.03481	6.2
170.00963	8.2
173.04588	9.2
175.04044	3.3
179.03467	6.0
179.05603	7.4
191.05573	8.1
193.05170	3.2
209.06042	3.1
213.14970	25.7
215.98466	2.9
315.18155	18.5
341.11029	16.7
353.99542	3.4
375.27402	5.2
449.27625	9.2
465.11725	7.7
477.23541	100.0
477.30856	15.2
478.23770	8.8
505.18481	4.0
537.12146	3.3
537.33179	73.3
538.11975	3.7
538.32446	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	537.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03447	5.7
59.01109	3.1
59.01389	52.3
59.48183	1.9
59.81821	2.2
61.98832	10.2
69.59052	10.9
69.59473	4.8
71.01391	30.6
72.99301	3.0
73.02951	8.1
78.95950	2.4
79.95721	4.5
83.01392	6.6
83.05032	2.8
85.02955	17.8
87.00893	4.8
89.02458	19.2
91.01885	2.9
93.03471	4.8
95.01393	4.5
96.96023	100.0
97.02953	3.9
99.00908	3.4
101.02463	31.8
104.84441	2.3
107.01436	3.9
108.02177	4.0
109.02970	2.3
111.00925	4.8
113.02486	14.1
118.37858	2.2
119.03503	5.9
121.02988	2.7
123.00936	3.5
123.04522	16.2
125.02451	10.5
129.01900	2.5
135.04539	4.3
137.02437	5.7
149.99561	3.0
151.00330	4.2
152.01157	5.6
153.01994	3.8
160.01703	2.8
161.04543	6.5
167.03513	42.6
168.00523	2.2
173.04570	5.3
175.03958	4.7
179.05664	3.2
183.04509	7.4
185.26709	2.0
191.05571	7.2
213.14951	8.0
280.87744	2.1
325.21570	2.1
328.06012	3.9
341.10910	5.9
375.27460	6.9
449.27423	5.6
461.19092	5.7
477.23462	4.9
477.31317	6.8
493.30643	4.4
495.32913	2.5
501.30716	4.0
505.18170	6.5
537.23352	49.8
537.32550	65.8
538.23901	3.9
538.32770	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	537.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.0
57.03189	1.2
57.03458	14.2
58.00606	4.4
59.01389	93.0
60.01715	0.9
60.99312	4.2
61.98843	8.2
63.51332	0.8
69.03456	1.9
69.43291	7.1
70.35031	1.0
71.01392	84.0
72.99322	6.2
73.02955	19.9
74.02488	0.9
74.99128	1.1
75.00880	6.8
83.01401	9.9
83.05057	2.6
84.37072	0.8
85.02963	37.1
86.03299	0.9
87.00903	7.4
87.04509	4.2
88.98822	14.5
89.02459	54.7
93.03457	2.6
95.01405	6.0
96.96026	2.5
97.02971	1.3
97.06599	3.0
98.19920	1.9
99.00900	6.6
99.04549	6.0
101.02457	57.6
102.02792	1.6
107.01421	1.1
108.02222	1.4
109.02957	2.1
111.00903	3.1
111.08186	1.3
113.02464	32.0
113.03263	1.7
118.98129	2.0
119.03517	18.5
120.99688	2.7
121.02951	1.1
121.10315	1.3
123.00855	0.9
123.08185	1.9
125.02486	5.0
129.01955	2.0
129.09288	0.9
131.03534	2.4
133.03029	1.0
134.03748	1.3
135.04550	4.5
137.02466	2.1
137.09775	1.6
139.07683	1.0
143.03526	4.4
149.02425	1.0
149.04573	3.8
149.09880	0.8
151.00371	3.3
152.01088	1.3
153.09239	1.3
153.99112	3.6
157.12415	1.0
159.03014	3.7
159.10274	2.7
161.02478	1.6
161.04591	23.9
162.05016	1.0
163.04025	1.3
167.03496	1.0
167.10898	1.4
168.00732	1.8
169.01439	7.4
171.13916	1.3
173.04562	3.4
173.11812	1.7
179.03474	1.7
179.05644	7.4
179.07079	1.4
185.11880	1.0
187.13438	2.4
190.02742	1.6
191.05661	4.5
193.05008	1.1
195.06686	1.1
201.14964	4.7
203.12891	10.3
206.75163	0.9
208.08182	0.9
216.13591	0.9
217.14426	7.3
271.02533	2.4
300.02887	6.2
301.03519	5.7
319.17542	1.1
333.19238	3.8
357.26828	1.9
363.20270	100.0
364.20627	7.0
373.26190	1.0
375.27499	24.8
376.27994	1.9
393.17816	3.4
447.09427	10.3
449.27640	1.8
519.31989	4.2
537.12085	4.1
537.24017	3.4
537.32880	80.8
538.33301	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	537.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39014	1.2
55.01878	4.5
57.03458	8.9
58.00594	2.7
59.01385	43.3
61.98827	3.5
63.05933	1.3
63.96248	10.3
69.03468	4.1
70.88913	2.0
70.89274	2.7
71.01389	46.5
72.99327	10.3
73.02950	17.3
73.98319	2.5
74.99090	5.9
75.00862	1.5
81.03422	1.9
83.01385	10.0
85.02955	28.9
87.00890	4.7
87.04528	4.7
88.98814	2.2
89.02456	18.0
93.03486	3.0
95.01385	6.1
96.96023	2.5
97.02949	3.3
97.06574	2.2
99.00883	6.1
99.04532	1.9
101.02448	40.6
107.01395	2.1
108.02180	1.8
109.03004	1.6
111.00880	4.6
113.02458	18.8
117.97309	5.4
119.03509	6.3
121.02941	1.9
123.00920	6.7
124.01683	18.9
125.02454	33.1
125.62691	1.4
129.01952	1.7
129.89595	1.3
131.03557	2.0
135.04552	2.8
135.98386	30.3
136.99146	5.6
137.02446	3.3
139.00389	5.0
141.09245	1.5
141.12874	2.6
143.03514	2.4
145.03014	1.2
147.00911	1.7
149.02455	8.1
149.04436	1.5
149.99609	28.7
151.00406	2.7
153.01895	5.9
154.02742	4.2
156.49310	1.2
159.02974	3.5
161.02464	1.5
161.04588	14.0
164.04819	4.3
167.03487	1.5
168.00652	52.3
169.01360	5.5
169.05067	3.2
171.13922	2.0
173.04538	1.7
175.00320	9.5
179.05597	3.1
190.02719	26.2
191.03438	2.2
191.05569	2.3
200.35257	1.6
201.14969	9.3
203.12917	9.1
205.05098	23.8
223.06137	4.4
285.04120	3.5
313.05734	3.5
327.05099	1.6
331.06674	14.1
333.19186	4.5
347.09720	1.5
363.20264	100.0
364.20615	5.6
367.10355	6.4
375.27478	8.4
447.09348	2.0
449.27661	3.0
477.30847	2.9
519.10767	2.1
519.31744	8.6
537.12598	74.6
537.23798	14.0
537.32770	43.4
538.12244	6.3
538.24609	2.0
538.32977	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	538.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96767	0.5
58.06429	0.5
59.01384	27.5
59.36632	0.5
60.71217	0.5
61.98843	4.7
68.32146	0.5
71.57849	0.5
73.26222	0.5
78.95913	19.7
79.61298	0.5
86.32362	0.5
96.95993	1.7
107.41627	0.5
110.41678	0.5
112.59444	0.5
115.03176	0.5
121.42484	0.5
129.95618	0.5
152.99557	2.5
168.04337	3.3
173.04318	0.6
204.88522	0.5
221.19151	0.7
224.06927	7.6
239.20178	100.0
240.20523	4.2
242.07980	2.4
288.39716	0.6
464.27841	60.1
465.28259	4.1
538.29645	0.8
539.33301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98561	0.5
55.24894	0.5
57.03460	4.8
58.00583	0.6
58.03802	0.5
59.01388	17.0
60.01748	0.6
61.01823	1.0
61.98830	1.2
69.03490	0.6
71.01396	8.8
71.56905	1.0
72.99311	0.8
73.02963	1.6
74.02472	1.1
74.99110	0.5
75.00890	3.1
83.01394	1.0
83.05074	0.5
85.02951	4.4
87.00892	1.0
88.98829	0.7
89.02457	7.3
90.02802	0.9
93.03487	1.8
95.01405	1.1
95.25162	0.5
96.96016	1.7
99.00883	0.7
99.04557	3.4
100.04893	1.0
101.02466	7.2
102.02829	1.0
108.02204	1.0
111.00930	0.7
113.02459	3.4
115.02257	0.6
119.03542	1.6
119.05032	1.0
120.99675	100.0
122.00020	0.6
122.06191	1.2
123.00898	0.9
124.01720	1.1
125.02468	4.6
127.56401	0.6
130.44133	0.5
131.03471	0.7
132.02156	0.6
133.02979	1.0
134.03751	1.1
135.04549	2.3
137.02455	0.5
143.03473	0.5
147.56204	0.5
149.04587	1.3
149.99635	1.5
152.07213	2.1
153.01978	0.6
155.83241	0.5
160.01674	2.3
160.03999	1.1
161.02443	1.9
161.04590	1.9
164.04826	0.5
168.00674	3.1
169.01389	0.6
173.04585	1.6
175.04056	2.5
177.05574	0.7
179.03557	2.2
179.05672	1.0
187.13383	0.5
190.05081	0.7
191.05602	3.0
192.06705	1.5
192.99649	1.0
193.05067	1.1
198.98360	0.5
223.04375	0.5
241.05510	1.2
257.85916	0.5
285.68503	0.5
335.16998	1.1
357.14719	2.1
359.10297	0.5
363.20166	0.7
364.20413	0.6
365.21204	0.8
376.27176	0.6
377.13528	0.7
377.29077	2.1
385.57782	0.5
393.17847	0.5
394.18268	1.1
395.18210	2.3
451.20422	1.8
497.26675	0.6
503.12585	0.5
508.17377	1.2
538.33301	0.9
539.14050	3.8
539.21820	6.7
539.33905	10.6
540.21649	0.9
541.77844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98816	0.5
63.96245	1.4
69.03442	0.4
71.01391	6.6
71.20656	0.7
72.99290	0.4
73.02950	1.4
75.22294	0.4
78.98592	4.5
79.95748	9.5
80.96526	60.5
81.03436	0.7
85.02946	3.0
87.00880	2.2
94.98093	14.3
96.96005	1.5
97.02942	1.3
98.53790	0.4
99.00906	0.5
101.02445	2.1
102.69176	0.4
106.98081	2.8
118.10184	0.3
122.97578	2.8
125.02471	2.9
127.04019	1.0
132.35040	0.4
134.97617	4.7
136.99170	1.1
143.14610	0.4
148.99150	4.7
152.98651	5.1
164.98643	11.1
191.44974	0.4
204.19968	0.4
206.99738	2.5
211.45248	0.4
225.00763	14.5
239.20157	2.3
299.04440	3.4
539.25354	100.0
540.25677	7.6
540.80975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98829	45.1
64.93890	10.4
71.01401	38.9
71.56282	15.9
78.95901	18.5
83.01412	13.0
85.02966	22.8
96.96021	46.5
99.04551	12.2
101.02477	22.9
106.93975	10.2
113.02456	24.4
119.05001	15.8
125.02474	12.5
147.40387	10.5
161.04543	12.6
167.03427	13.8
173.04558	14.1
174.29190	9.9
191.05688	27.0
203.14482	10.1
217.00293	15.8
236.17044	12.4
240.91162	11.2
311.22171	14.7
503.32263	26.5
539.29938	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3001
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
51.56073	5.9
51.59214	5.8
59.01385	55.3
61.98832	54.8
66.66528	6.2
71.01409	30.1
71.05774	6.6
71.16006	15.1
77.40257	5.4
78.95941	9.6
79.49039	5.5
83.01386	8.7
85.02936	15.4
87.00900	8.4
88.98804	13.3
89.02458	8.0
93.03429	8.3
96.96001	19.0
101.02444	17.2
110.74915	6.3
111.00915	6.1
113.02435	12.1
119.05041	21.3
121.02959	24.1
135.04594	10.4
137.02451	9.4
139.03998	7.8
145.02924	11.3
163.03987	18.9
173.04558	11.8
178.02769	6.5
179.03662	7.6
179.05562	7.2
191.05623	17.0
209.04588	11.5
299.02057	9.0
314.04184	13.0
329.06631	19.1
375.19894	8.0
503.32208	26.9
521.23376	8.4
539.14606	6.8
539.30225	100.0
540.29541	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	540.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.9
59.01381	6.0
61.98837	6.4
66.19542	0.7
68.70575	0.8
70.39164	0.7
71.01388	5.2
71.56880	1.1
73.02978	0.9
75.00870	1.1
85.02953	1.8
87.00885	1.2
89.02460	2.9
90.51365	0.8
93.03463	1.7
94.06615	2.1
95.01421	0.8
96.96014	0.9
101.02454	2.5
104.05086	1.0
107.03777	7.6
110.02408	1.0
112.04083	2.6
113.02460	1.8
113.94189	0.7
116.05074	7.4
120.04588	1.5
120.99670	10.4
122.00045	1.0
122.06133	40.6
123.03273	3.5
123.77160	0.7
124.04060	4.1
132.04588	5.9
134.03777	1.2
134.06129	2.8
135.04559	3.7
138.05629	17.4
139.02779	2.8
152.07187	100.0
153.07521	2.2
158.02467	2.8
160.01805	0.9
160.04056	24.0
161.02397	1.5
164.07178	5.6
166.05022	1.0
172.04027	1.0
173.04575	2.4
175.03952	1.7
179.03519	1.9
182.04622	1.0
184.06178	2.4
190.05141	15.5
191.05617	3.2
192.06683	68.1
193.05125	1.5
193.06932	1.4
204.06488	1.6
212.10878	1.5
255.11505	2.0
266.06689	1.1
267.11353	1.3
281.09369	2.2
293.09430	1.3
295.10965	0.9
297.12289	0.8
299.10498	0.9
323.10559	1.0
325.11938	22.5
326.12506	1.6
329.14755	1.1
355.12970	10.8
357.14575	61.8
358.14938	2.9
360.12317	0.8
365.20880	1.4
377.28873	1.1
397.26358	0.7
420.19247	1.8
436.15109	2.4
446.17169	3.0
447.32547	0.7
464.18298	14.0
465.17184	2.9
468.17859	2.4
478.19904	0.9
490.16257	3.6
496.21014	2.4
508.17285	26.4
509.17578	2.3
522.19269	3.9
533.59637	0.8
539.34686	3.4
540.20044	13.8
540.35126	3.6
541.23120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87459	0.6
54.59525	0.6
59.01384	4.2
61.98837	1.2
70.68310	1.1
71.01379	3.2
73.02959	1.4
83.01382	0.9
85.02948	1.9
87.00890	0.9
88.08917	0.6
89.02448	3.4
93.03469	1.2
96.96023	6.2
101.02449	2.4
108.02080	0.7
109.02966	1.5
111.00867	1.0
113.02466	1.0
116.92874	0.9
119.03588	0.6
121.07813	0.6
125.02472	0.7
128.03654	0.6
131.03514	1.3
134.03787	0.8
135.04520	2.0
137.02431	1.5
149.02498	3.4
149.04570	1.5
150.03175	1.1
151.00371	2.7
152.01221	0.9
161.02267	0.8
164.04785	2.5
165.05589	1.7
166.02721	5.6
166.05093	0.8
173.04573	2.3
175.03893	1.1
179.03572	1.0
179.07118	1.1
180.04250	0.8
181.05081	6.5
182.05714	0.8
191.05675	3.8
195.06645	1.0
199.04088	2.2
213.78922	0.7
215.03563	2.6
223.06206	2.3
230.05884	3.0
240.04306	2.9
241.05000	1.8
243.03023	7.4
253.07202	1.9
257.04572	2.2
258.05386	6.5
265.06030	0.7
271.02530	6.4
273.07596	4.4
286.05035	3.1
301.07214	57.2
302.07550	3.7
316.09537	38.9
317.09955	1.4
331.11902	100.0
332.12302	4.7
347.07996	1.0
348.89005	0.7
370.93747	0.9
379.09421	1.3
379.14023	19.5
380.14505	0.7
409.17249	1.1
415.12509	1.3
532.78119	0.8
541.13806	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65359	0.3
55.01897	0.3
57.03455	100.0
58.03792	1.0
59.01387	23.1
61.98840	2.2
65.30650	0.3
69.03481	0.3
71.01388	4.5
72.99328	0.5
73.02965	1.8
81.03458	3.1
83.01408	0.7
85.02979	1.7
85.03497	0.2
87.00900	0.4
89.02464	2.0
92.57322	0.3
93.03490	0.5
95.01447	0.6
96.96024	0.4
99.04532	83.1
100.04892	1.1
101.02457	15.7
113.02463	3.1
119.03532	1.0
119.05013	0.4
121.03006	0.4
121.37082	0.3
121.81598	0.3
125.02463	28.2
126.02820	0.5
132.04550	0.3
135.04536	9.2
135.05518	0.6
143.03513	1.0
149.06024	0.4
153.02013	0.3
160.91429	0.3
161.04572	1.0
163.04028	62.0
164.04359	1.7
171.85641	0.3
173.04503	0.4
178.06371	58.9
179.06732	1.3
193.08714	76.0
194.08994	1.8
245.07202	0.8
246.07561	0.7
287.16577	0.5
307.17657	0.6
311.07727	0.3
379.12787	0.8
481.28436	0.9
499.29388	0.5
505.33710	0.4
523.25726	0.4
541.31451	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03444	2.9
58.00600	3.0
59.01386	68.1
59.82109	1.8
61.98835	43.5
67.85901	1.7
69.03465	2.4
71.01392	65.6
71.56448	2.3
72.99290	3.3
73.02949	13.7
73.85785	1.7
75.00880	6.6
78.95913	2.6
83.01363	8.1
85.02968	24.0
87.00866	8.0
87.04507	2.3
89.02457	62.8
93.03471	6.9
95.01395	3.9
96.96024	15.4
99.00885	6.8
101.02461	41.9
106.59901	1.7
108.02184	2.3
109.02983	2.3
111.00896	7.1
111.04515	3.1
113.02474	19.4
113.06081	2.0
119.03498	15.0
120.99666	2.6
121.02997	1.7
125.02478	12.8
126.65627	1.6
129.01930	1.9
131.03519	15.1
133.02980	2.2
135.04536	10.0
137.02428	4.8
143.03491	3.3
149.02545	2.3
149.03529	2.4
149.04591	27.7
150.03227	5.1
152.01198	2.8
152.99652	2.3
153.01964	3.3
161.02438	5.2
161.04597	11.6
164.04758	2.1
165.01974	2.4
165.05550	7.9
173.04552	9.0
179.03458	5.8
179.05659	3.9
180.04121	3.4
181.05081	1.9
187.13403	9.3
190.02515	1.8
191.03659	3.5
191.05605	18.7
193.05043	2.8
195.06679	5.5
203.03508	4.1
209.03055	3.6
223.06133	6.5
227.39630	2.0
293.06403	10.9
320.74484	1.8
349.18680	55.1
350.18973	4.0
353.08734	1.8
379.16107	3.8
473.25732	2.0
481.22937	100.0
482.23239	7.8
497.12689	2.2
541.14557	8.2
541.21051	5.5
541.28778	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.9
59.01383	8.0
61.98824	1.9
64.83389	0.8
70.30250	1.4
70.30646	1.8
71.01365	1.4
72.97533	1.7
74.02458	1.6
82.02978	3.5
84.04543	2.6
85.02958	1.1
86.02482	18.9
86.99095	2.5
87.99886	1.2
88.04077	1.1
88.53749	0.8
89.02470	1.2
96.96055	1.8
98.20515	1.2
100.42368	0.8
101.00674	2.9
101.02432	1.2
107.08699	1.3
109.06599	0.8
109.07685	2.3
111.19018	0.7
114.86330	0.8
127.05144	3.3
127.08787	17.6
128.03557	97.0
129.03899	1.7
137.09778	0.8
151.00424	0.8
153.06718	6.3
153.09216	2.4
153.12880	2.0
155.14351	0.9
161.04721	0.8
171.07768	100.0
172.08122	1.9
179.04584	1.6
182.07643	1.3
183.10312	0.9
184.09299	3.0
187.07985	3.1
197.05684	1.0
197.11824	1.3
208.21167	0.9
210.10852	1.0
215.06738	12.3
216.08231	1.8
247.20613	3.2
253.09096	1.1
256.11429	1.1
273.18610	1.8
287.16547	2.0
291.19675	12.8
305.17532	3.5
325.18436	48.1
326.18619	1.7
350.21503	2.0
394.20691	1.8
412.21613	14.0
413.21863	0.9
513.26001	0.9
513.49243	1.0
523.24854	2.5
541.25891	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	541.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03672	0.4
54.73171	0.3
59.01378	1.3
59.69511	0.3
60.99316	15.5
69.26849	2.8
71.01385	0.5
80.96535	0.8
85.02962	0.5
87.00916	0.4
88.00436	0.6
88.98820	100.0
89.02477	1.8
89.99152	0.6
93.03458	0.6
96.95996	0.8
101.02468	0.5
109.02982	0.4
112.07830	0.3
119.05006	0.6
122.11819	0.3
135.04532	0.5
137.02501	0.7
154.98079	0.5
173.04636	0.6
191.05594	0.8
230.26524	0.3
236.31506	0.3
339.93707	0.4
442.76477	0.3
451.32684	0.4
453.08743	0.4
520.42712	0.3
541.16180	1.0
541.28778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94369	1.4
53.97166	1.3
59.01381	3.8
61.98820	5.3
65.38834	1.3
71.01386	5.2
78.95887	1.9
80.36578	1.4
82.29209	1.3
85.02964	8.9
93.03450	7.8
96.96022	18.5
96.96954	1.9
97.04230	1.3
101.02439	3.3
102.87230	1.3
109.02880	1.7
111.04535	2.8
118.56632	1.5
120.01286	1.6
127.04025	2.3
135.04523	17.0
136.04977	1.6
137.02428	3.5
140.43179	1.4
141.55458	1.5
144.04568	100.0
145.04858	3.4
146.08211	2.1
155.03548	1.7
161.02435	3.0
173.04558	28.1
179.03525	18.0
181.05110	2.1
188.03539	44.9
191.05624	64.5
192.05983	2.4
193.05054	1.4
195.06714	1.8
301.07214	1.9
331.11923	3.0
332.12262	3.8
353.08777	26.8
542.20856	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	543.1364
Annotation	Scytonemin
Peak:m/z	Relative Intensity
50.56971	0.9
55.01896	0.9
56.72507	0.9
57.03450	1.1
59.01383	1.9
61.98811	1.1
68.99834	5.5
69.03441	1.0
69.83215	2.2
69.83606	1.7
71.01389	3.2
73.02965	2.6
80.58479	0.8
83.01381	1.9
85.02960	7.6
87.00879	4.4
89.02473	1.5
95.01402	1.3
99.00886	6.6
101.02468	2.1
101.80321	0.8
105.46467	0.9
111.00894	2.6
113.02454	8.7
113.99598	17.3
115.00395	9.4
121.02982	2.5
127.00352	4.0
129.01958	3.1
137.42598	0.8
139.00409	1.2
141.01942	0.9
149.02444	15.0
157.01448	6.4
164.04805	11.8
169.01488	2.0
174.01711	22.3
175.02463	2.7
194.56976	0.9
205.05099	1.1
210.97237	0.8
223.06137	11.1
250.17822	1.0
265.07303	1.2
277.05673	38.0
278.05914	1.3
295.08453	1.1
319.06693	0.9
337.07788	97.8
338.08102	4.5
339.66663	0.9
402.83286	1.0
422.09244	1.0
483.11731	4.4
543.13605	100.0
544.13843	9.1
555.60748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1515
Annotation	CHEBI:85153
Peak:m/z	Relative Intensity
50.49115	0.4
51.08458	0.5
57.03459	1.2
57.20691	0.4
58.00597	0.6
59.01385	30.5
60.01699	0.4
60.99295	0.5
61.98837	11.6
67.01907	1.1
69.03436	0.9
69.04004	0.5
71.01390	12.7
71.01780	0.7
71.56181	0.6
72.99337	1.0
73.02956	6.6
80.96514	0.6
81.03475	1.6
82.33689	0.4
83.01408	2.4
83.05048	1.4
85.02956	4.7
87.00889	1.6
89.02454	3.3
89.03987	2.3
93.03468	11.4
94.03799	0.5
95.01401	0.8
96.96026	1.8
97.02945	0.8
99.00915	0.9
99.04549	0.6
101.02453	8.7
106.04257	0.5
108.02177	0.6
109.02964	1.4
111.00885	0.7
111.04542	3.9
113.02453	6.5
117.03478	8.6
119.03530	1.4
119.05042	0.6
123.00892	0.5
124.01643	0.4
125.02445	0.9
127.04041	1.4
129.01974	0.6
131.03499	0.5
132.02199	1.7
133.02951	3.2
134.03757	100.0
135.04071	2.3
137.02466	6.2
139.04080	0.8
143.03461	0.6
145.49301	0.4
149.04791	0.7
149.06097	10.1
150.03264	0.7
155.03540	6.4
160.01671	13.3
161.02406	0.9
161.04567	3.0
165.05618	0.7
173.04564	38.2
174.04816	0.6
175.04012	10.2
175.63727	0.4
176.04312	0.5
177.01894	0.8
178.02795	3.3
179.03532	0.8
191.05603	6.4
193.05070	93.6
194.05399	3.3
201.09474	0.4
205.05022	0.5
229.08670	0.5
266.06195	0.5
269.04575	2.1
284.03342	0.6
297.03958	1.5
298.04807	2.7
325.03494	0.7
326.04230	0.9
334.06912	1.7
349.09311	38.1
350.09509	1.8
352.79135	0.4
367.10361	33.1
368.10596	2.0
423.11020	2.4
446.08560	3.6
455.47168	0.5
483.29132	0.7
499.33597	0.5
508.34839	1.0
543.14032	2.5
543.21796	1.2
543.31580	1.8
544.32184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03444	1.2
58.00589	0.4
58.14391	0.4
59.01384	32.1
60.01719	0.3
60.37163	0.4
60.99317	0.4
61.98835	15.8
65.03962	1.2
67.01897	3.1
69.03463	0.6
71.01388	11.6
71.58607	0.5
72.99329	0.7
73.02951	2.4
75.87441	0.3
78.95914	0.6
80.48341	0.4
80.96539	0.4
81.03468	1.1
83.01395	1.2
83.05022	1.5
85.02952	4.4
86.57671	0.3
87.00893	1.8
87.04544	0.8
89.02455	3.7
89.03980	1.6
91.49148	0.3
93.03469	47.2
94.03819	0.9
95.01396	1.3
96.96007	2.0
97.02925	0.6
99.00896	1.4
99.04535	0.4
101.02452	4.8
109.02960	1.2
111.00873	1.3
111.04539	5.6
113.02472	7.5
115.04082	0.4
117.03481	4.9
119.03530	1.6
119.05092	0.3
119.31125	0.4
121.02988	0.8
125.02460	1.1
125.06111	0.4
126.05672	0.4
127.04066	0.8
129.02017	0.3
132.02232	0.9
133.02971	1.2
134.03760	57.3
135.04247	1.1
137.02461	33.4
138.02811	0.3
139.04012	0.7
143.03563	0.8
147.04552	0.4
149.02554	0.4
149.06093	5.8
151.04073	0.4
152.01218	0.3
153.02002	0.4
155.02251	0.6
155.03520	10.7
156.45775	0.3
160.01680	6.6
161.02470	0.4
161.04587	2.3
165.01804	0.4
173.04562	100.0
174.04887	1.7
175.04024	6.4
175.05496	0.5
176.11717	0.3
177.01974	0.4
178.02684	1.9
179.03484	0.6
179.05521	0.5
189.05463	0.4
191.05608	3.7
193.05070	48.3
194.05402	1.4
207.06651	0.3
255.06787	0.7
269.04462	1.9
290.64365	0.3
297.04135	1.1
298.04877	1.2
313.03494	0.7
325.14520	0.5
334.06973	0.6
349.09317	15.3
349.13696	0.8
350.09827	0.5
367.10349	35.9
368.10562	1.9
369.13541	0.4
383.20795	0.8
386.40500	0.4
423.10757	1.7
446.08432	0.9
483.29755	3.2
499.32666	0.6
501.30408	1.9
543.14532	2.2
543.32373	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	543.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01384	10.8
61.98839	5.0
63.25732	0.8
65.03968	0.8
67.01890	3.6
69.03445	1.3
70.36112	2.7
71.01384	9.3
73.02944	2.6
78.98607	2.1
79.95729	3.8
80.96526	28.9
81.03450	2.5
83.01409	1.1
83.05032	4.5
85.02951	4.4
87.00874	4.4
89.02431	3.0
89.03946	2.5
93.03467	26.0
94.98114	7.1
95.01383	1.2
96.96008	1.8
97.02930	1.9
99.04505	1.0
101.02425	3.7
109.02935	2.5
111.00868	3.3
111.04526	18.0
113.02442	2.6
117.03490	8.8
119.03504	1.0
119.05003	1.0
121.02854	0.9
125.02450	3.4
127.04002	3.6
129.02039	0.9
132.02159	5.1
133.02934	3.2
134.03752	100.0
134.97591	1.7
135.04152	2.9
137.01474	1.2
137.02452	20.6
148.99138	2.6
149.02420	0.9
149.06100	9.9
152.98634	2.3
155.03516	41.3
160.01671	33.6
160.03041	1.0
161.01907	0.8
163.04042	1.0
164.98656	5.6
165.05589	0.9
173.04559	99.0
174.04951	1.5
174.40117	0.8
175.04012	42.5
176.04288	1.8
177.01942	1.0
178.02681	3.0
179.03561	1.0
189.18544	0.9
191.05591	3.1
193.05067	78.4
194.05415	2.5
195.58949	0.9
206.99696	1.2
211.07315	0.8
211.13370	1.9
225.00768	6.9
228.79196	1.0
269.04468	2.0
269.08224	2.0
298.04962	1.1
299.04434	1.4
305.10156	1.3
307.18921	0.9
334.07010	1.3
349.09286	99.4
350.09540	3.9
367.10345	19.8
368.10757	1.1
395.11478	1.6
423.10715	3.3
499.32825	1.0
543.14679	21.8
543.21240	40.0
543.30341	1.4
544.14734	1.9
544.21722	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	46.4
60.44080	3.5
61.98828	11.2
63.09264	3.5
63.33797	3.6
65.41436	3.5
71.01401	20.5
71.48042	2.9
71.55934	5.2
71.59583	3.6
72.97521	7.8
73.02969	3.6
76.84053	4.1
77.10973	3.2
82.70023	3.2
83.01338	3.6
85.02932	6.7
86.02483	15.7
86.99124	4.8
89.02441	8.2
93.03450	8.8
95.01395	4.5
95.78461	3.5
96.95977	9.4
98.69432	3.6
101.02435	11.9
113.02460	7.0
119.03510	4.2
121.02901	4.1
125.09701	3.7
127.08778	17.3
128.02576	5.6
128.03549	100.0
129.49135	3.0
137.02324	5.1
147.55486	3.8
153.06660	10.8
155.14404	9.5
171.07770	94.9
173.04527	10.5
185.11801	4.7
186.10928	6.5
191.05609	11.9
209.11815	6.4
215.06728	15.7
245.19115	7.7
249.14894	5.3
249.22186	7.4
253.09315	24.8
263.20316	5.4
289.18146	46.7
293.21280	12.0
307.19156	48.6
327.20032	60.7
327.23749	6.6
380.56653	3.3
406.74567	3.7
414.23236	18.1
543.27893	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	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65091	2.5
57.03445	4.2
59.01383	20.7
61.98836	3.4
68.99815	2.9
69.63132	16.9
71.01387	16.8
71.05022	2.9
72.99306	7.6
73.80933	2.7
75.00909	17.1
75.15197	2.3
76.55158	2.8
79.95764	3.0
85.02963	27.6
87.00896	6.4
89.02463	7.3
90.51092	2.7
93.03499	3.0
95.01392	5.3
96.96033	6.9
98.19893	4.3
99.00885	10.5
99.01492	2.6
101.02455	3.1
103.00381	4.0
111.00900	4.6
113.02469	36.7
115.00401	3.7
126.64265	2.4
131.32562	2.4
152.91837	4.5
175.02544	3.2
205.07104	2.7
223.17009	3.0
229.42126	2.8
232.87485	11.6
235.17035	7.1
249.06181	8.0
250.88531	4.7
263.21753	2.8
267.07278	9.1
275.20166	10.4
293.21283	31.8
427.47760	2.9
461.22989	6.2
543.28168	100.0
544.28455	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	543.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95078	1.1
55.31107	1.1
56.22845	1.1
57.03454	3.6
58.01659	1.1
59.01387	15.7
61.98838	3.7
69.52258	8.5
70.51933	1.3
71.01391	20.0
72.99326	5.1
73.02950	2.6
73.58970	1.1
75.00871	14.7
78.95950	1.3
80.15359	1.2
85.02966	23.7
85.66867	1.3
87.00876	7.6
89.02454	5.0
95.01430	6.3
96.95994	3.3
99.00901	8.4
101.02478	2.9
103.00416	1.9
111.00946	1.5
111.08115	1.3
113.02464	27.9
115.00367	1.3
117.01957	2.2
119.05065	1.5
138.63197	1.4
157.01437	1.7
173.04593	2.9
175.02524	3.0
191.05585	2.3
195.13927	4.8
223.13451	3.7
249.06236	3.9
253.09366	1.5
267.07239	6.3
275.20093	2.9
293.21237	24.4
294.21710	1.8
307.19150	5.5
507.26144	4.0
525.26917	1.9
541.97156	1.5
543.28131	100.0
544.28345	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	545.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
59.55685	0.1
71.01373	0.2
71.30910	0.2
71.31249	0.2
79.95750	2.4
87.93652	0.1
93.03479	0.2
96.96024	100.0
97.95966	0.2
107.75701	0.2
133.03003	0.2
135.04515	0.2
162.11530	0.2
173.04602	0.2
176.64825	0.1
190.02850	0.2
191.05644	0.5
284.03473	0.2
297.04034	0.4
299.05557	0.3
327.05063	1.3
353.06781	0.2
357.06042	0.3
447.09418	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	545.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78948	0.2
53.45367	0.2
55.39703	0.2
59.01395	0.2
69.55022	0.2
69.62737	0.6
69.63153	0.6
71.01376	0.3
79.95747	3.4
85.02959	0.6
96.96019	100.0
97.85870	0.2
97.96000	0.2
98.20620	0.4
98.84106	0.2
108.02193	0.6
109.02966	0.4
118.78497	0.2
119.19784	0.2
147.02950	0.2
152.01144	0.7
153.01901	0.3
160.43523	0.2
173.04486	0.3
179.10039	0.2
191.02109	0.2
191.05659	0.5
196.63866	0.2
208.97652	0.4
209.03049	0.4
250.98830	0.5
335.01044	0.3
353.01749	0.4
447.11530	1.7
485.06296	0.6
545.08118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05922	2.4
51.82098	2.5
53.90554	2.8
55.98051	2.5
57.03454	73.3
59.01385	100.0
69.40532	6.7
69.40947	12.6
71.01388	41.7
73.02957	12.1
76.71886	2.4
81.03467	3.0
83.01397	5.4
85.02957	23.5
89.02457	8.7
95.01388	3.4
96.96022	20.0
99.00887	6.0
99.04524	70.5
101.02447	39.1
109.02949	4.8
111.00946	2.9
113.02465	16.6
117.03480	4.2
125.02453	38.1
133.02963	3.5
135.04514	3.9
143.03485	10.3
146.03687	3.3
159.03021	3.8
161.04555	21.6
173.04617	4.2
175.03940	3.1
191.05652	14.0
203.03589	3.0
225.67522	2.8
229.01459	4.5
265.05157	4.5
266.05908	6.5
269.10318	43.5
275.05548	5.4
283.06189	5.4
293.04495	3.2
294.05212	4.4
295.06131	8.1
307.05984	6.0
309.07800	6.0
311.05621	4.6
315.86111	3.0
323.05676	6.2
325.07147	3.4
327.08667	5.3
351.05112	9.5
353.06595	25.7
363.05008	3.5
365.06400	3.9
381.05997	8.1
383.07968	4.4
383.13394	11.1
397.09259	3.3
401.14600	76.2
402.14642	3.5
441.08356	32.5
443.15408	15.5
455.09964	6.8
471.09259	4.1
473.11069	12.7
473.16769	3.1
492.74881	3.2
501.10291	12.1
527.11682	5.6
545.12000	20.0
545.19397	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	545.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55743	0.9
55.01881	1.9
57.03166	1.6
57.03454	65.7
59.01387	100.0
60.01704	0.9
61.98836	0.9
66.93759	0.7
67.88490	0.7
69.03466	1.8
69.73222	4.5
69.97003	0.8
71.01390	36.1
72.99322	1.3
73.02950	11.7
77.09045	0.8
79.95753	1.5
80.96526	1.9
81.03497	1.3
83.01402	6.8
85.02962	17.6
87.00903	2.4
89.02463	8.2
93.03471	5.0
95.01408	2.8
96.96024	49.8
97.02966	2.2
99.00880	6.5
99.04530	67.0
100.04895	1.1
101.02455	36.9
107.04993	1.5
109.02973	1.2
111.00890	1.6
111.04488	1.2
113.02459	19.0
125.02466	38.5
129.01999	1.2
131.03546	2.2
133.02980	1.7
134.03731	1.4
135.04535	1.8
137.02441	3.0
143.03511	6.1
149.04611	1.3
152.01241	0.8
159.03073	4.3
161.04582	19.5
173.04622	2.9
179.03476	1.2
190.02708	1.7
191.05630	3.7
205.05104	1.4
223.06224	0.8
266.05896	1.0
269.10327	47.8
270.10648	2.5
278.72614	0.8
309.07709	1.4
353.06650	4.7
383.13501	13.0
395.21643	1.1
401.14536	78.7
402.14856	5.1
429.08139	1.1
443.15601	13.4
545.19153	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	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87828	0.6
55.01874	0.8
57.03457	8.5
59.01384	28.0
61.98830	2.0
67.01894	1.9
69.03461	3.1
70.86277	0.7
70.86612	1.3
71.01385	12.6
72.99302	1.0
73.02945	2.6
81.03453	1.9
82.09144	0.6
83.01385	1.5
83.05036	2.0
85.02950	7.0
87.00884	9.5
89.02455	9.1
93.03466	13.2
95.01385	1.3
95.05057	0.7
96.96063	1.3
97.02965	7.4
97.06583	1.3
99.00901	0.7
99.04530	5.9
101.02458	12.7
108.02213	0.7
111.00903	1.5
111.04531	3.8
111.08157	4.6
113.02480	5.3
119.03501	2.6
119.05058	0.7
123.08118	0.8
125.02472	2.7
125.09744	1.7
127.04065	1.1
127.11301	0.7
131.03500	0.8
135.04550	0.7
136.01688	1.6
137.02461	3.1
137.09720	2.4
142.69212	0.7
143.03471	1.2
145.03006	0.8
154.02725	2.4
155.03505	3.5
158.03723	0.9
159.04593	3.8
161.04570	5.2
161.09778	0.6
163.11284	2.6
165.12846	5.3
166.10039	1.0
169.12418	1.2
171.04527	0.9
171.10313	4.1
172.05351	3.9
173.04591	37.0
173.06052	5.1
174.03323	0.7
174.04878	0.8
174.06883	2.9
177.01967	2.1
179.05611	2.1
179.14413	1.5
181.12361	1.8
183.04546	1.4
183.13931	1.5
186.06891	4.9
187.07661	8.8
189.04077	1.2
189.09209	1.5
191.05643	16.3
191.14481	0.6
193.12396	1.3
193.16058	0.9
197.11848	21.3
198.12210	0.8
199.13409	1.1
200.04829	2.6
201.05600	7.7
201.09198	5.9
202.06140	0.6
207.13940	0.6
209.11795	2.9
211.07722	1.3
211.13374	3.4
212.08469	1.1
214.06366	6.3
215.07133	16.5
216.07346	0.8
221.11902	0.6
223.13399	1.4
225.14980	2.4
227.12900	3.7
229.04991	0.8
229.08685	8.0
230.09456	4.4
231.10341	1.0
247.20729	4.3
249.14954	0.7
250.92569	0.6
253.09309	37.3
254.09709	0.8
256.07419	2.5
257.39908	0.7
258.09027	1.4
263.20114	1.4
273.18613	2.2
274.08484	3.2
283.13269	0.7
291.19684	51.6
292.19955	2.9
309.20740	100.0
310.21094	5.2
311.12802	0.9
327.15945	0.7
360.12207	0.8
371.15314	4.0
463.82608	0.7
485.31540	0.8
503.32397	1.2
545.20355	2.6
545.28748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03456	1.5
59.01383	16.6
61.38005	0.9
61.98834	3.4
65.02176	0.8
65.24951	0.8
66.88838	0.7
67.01909	1.1
69.03451	0.9
71.01392	7.9
71.58002	1.1
72.99309	1.6
73.02958	0.9
79.25034	0.7
83.05022	1.3
85.02946	4.2
87.00904	3.0
89.02448	6.4
91.71036	0.8
93.03471	11.5
94.17155	0.8
96.96027	6.4
97.02972	0.8
97.06599	2.2
99.00883	1.5
99.04527	0.8
101.02451	7.5
107.44601	0.7
111.00871	1.3
111.04516	2.3
111.08147	0.9
113.02451	2.6
113.09734	1.9
115.07654	1.4
119.03529	1.1
135.04407	0.8
137.02510	1.6
143.03520	0.9
147.83327	0.9
155.03511	1.8
159.04573	1.5
161.04552	2.5
165.12755	2.3
167.10785	1.6
167.14386	1.0
173.04576	36.6
173.06026	1.4
177.01880	1.0
181.12314	2.2
185.11818	0.9
186.06895	1.9
187.07629	2.4
191.05641	12.7
193.12350	1.8
195.13861	2.4
201.05499	2.3
201.09206	1.6
209.11818	1.9
211.07626	1.5
211.13402	3.2
214.06340	1.0
215.07169	6.9
221.15503	1.8
229.08650	3.4
247.20692	4.2
253.09300	17.7
258.09180	1.0
273.18585	2.9
274.08502	2.7
283.13281	0.9
291.19699	33.6
292.20209	1.1
309.20749	100.0
310.21283	4.1
513.26929	1.2
545.21631	1.7
545.29822	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	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
57.03464	4.1
59.01386	16.6
61.98840	1.4
66.33096	0.7
68.99836	1.0
69.92905	0.8
71.01387	9.1
71.34940	1.1
72.99318	1.8
73.02962	2.5
81.03446	0.8
83.01394	1.9
85.02956	10.9
87.00886	17.5
89.02451	6.8
93.03476	3.3
95.01404	1.2
96.96029	8.5
97.02972	0.9
97.06615	1.0
99.00879	2.1
101.02457	6.0
102.77022	0.8
107.05029	1.0
108.02199	0.8
109.02933	1.1
111.00915	3.0
111.04533	1.2
112.70971	0.8
112.98830	1.5
113.02457	3.8
117.03448	1.3
119.03606	1.7
119.05037	70.7
121.02977	1.2
123.00892	2.0
125.02445	2.0
127.03993	0.9
129.01932	3.9
133.03009	1.6
134.03694	1.9
135.04529	16.7
135.06680	1.4
137.02457	2.7
138.03119	0.9
142.99898	2.1
145.02997	1.5
147.03003	2.6
147.04559	1.5
149.02448	2.5
151.00403	1.3
151.04021	0.9
153.05576	1.3
161.02422	5.0
161.09758	3.2
161.13568	1.3
163.04024	100.0
164.04651	4.2
165.05574	1.3
166.02705	2.3
173.00909	2.6
173.04521	5.6
175.03999	2.0
176.04797	2.3
177.01939	1.2
178.02655	1.4
178.06360	5.3
179.03529	11.8
179.07137	6.3
181.05049	2.7
187.11279	2.9
189.05515	1.5
189.09258	2.2
190.02710	0.9
191.02057	5.0
191.03574	4.4
191.05544	4.8
191.07114	1.9
193.05060	4.3
193.08717	3.3
194.05823	2.2
199.04007	1.1
202.06209	1.1
203.03529	3.4
204.04330	0.9
205.05150	2.6
205.12360	2.3
206.05859	2.0
207.06744	1.3
207.10275	1.8
208.03897	1.0
208.07442	1.4
209.08232	1.6
211.04121	1.1
215.03612	1.1
216.04286	1.4
219.03049	8.3
219.06654	0.9
221.08202	2.1
223.06084	1.5
223.09839	1.1
227.03600	2.0
231.03001	4.0
232.03758	0.8
234.05383	7.5
237.07777	1.3
243.03004	2.4
245.04442	1.0
246.05382	3.5
247.02318	1.1
247.06102	5.0
249.07700	28.9
249.10350	1.4
251.09209	1.6
256.03778	1.7
261.07724	5.2
262.04752	1.0
265.07169	11.1
271.06296	1.4
273.07843	1.7
275.05542	1.4
277.07144	5.5
279.08749	14.6
284.03308	16.6
285.03983	2.2
291.08774	3.4
293.04620	2.1
295.08255	4.6
297.11990	2.0
299.05627	20.6
300.06241	1.4
301.10986	0.9
311.05750	1.0
321.09836	2.6
339.10727	1.4
353.06400	2.0
355.10580	1.5
383.08002	3.4
401.10913	21.7
402.10989	1.2
443.14001	0.9
457.11215	1.0
503.11972	19.7
504.12079	1.3
547.14691	17.6
547.24091	14.3
548.14368	0.8
548.24530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64906	0.7
57.03450	1.1
59.01387	6.9
61.98838	1.1
69.66373	1.9
69.66785	2.2
71.01377	4.8
71.93466	0.7
73.02953	2.1
76.63036	0.6
80.96530	1.2
82.56899	0.7
82.58199	0.8
83.01395	0.9
84.91009	0.8
85.02969	12.0
87.00867	1.6
89.02441	2.5
93.03471	5.9
93.30328	0.7
94.18638	0.7
96.96025	11.1
98.20573	1.4
101.02457	2.1
106.11812	0.7
109.02940	1.5
111.00872	1.3
111.04536	2.0
113.02460	1.8
117.03471	6.3
119.03599	0.9
119.05038	3.7
121.02916	0.8
125.02370	0.9
127.80472	0.8
134.03749	2.5
135.04532	5.5
137.02448	2.8
145.02946	1.7
146.03746	3.5
147.03032	0.8
147.04530	3.1
148.05328	1.3
149.02446	2.2
159.04536	0.8
161.02452	3.0
161.06053	0.8
163.04012	4.2
173.00862	0.8
173.04565	8.0
175.04060	4.6
177.05536	1.9
179.03465	2.8
187.03975	0.8
191.01985	4.8
191.03702	1.5
191.05624	19.8
193.05101	2.8
203.03510	1.0
218.02174	4.5
219.02988	13.8
233.04721	1.3
253.08702	1.5
268.07327	0.9
271.06091	3.1
281.04541	1.1
282.05386	2.1
283.06125	3.3
285.11264	1.8
286.08487	2.0
293.04416	2.5
294.05145	0.8
295.06110	5.2
296.06857	2.4
297.07706	14.7
298.08212	1.2
301.10889	3.0
307.06226	1.9
309.07855	1.8
311.05658	4.6
323.05640	4.5
324.06348	1.1
325.07306	6.2
328.05884	3.0
329.10248	0.9
335.05515	1.5
337.07214	3.6
341.06653	1.8
351.05032	0.9
353.06680	27.6
354.06998	2.2
355.08218	13.3
356.05066	0.9
365.06702	4.5
383.07764	27.4
384.08044	2.0
385.07672	1.3
385.12527	1.1
395.07721	3.3
401.10834	1.4
407.07437	1.3
413.08771	3.0
424.37506	0.8
425.08777	1.6
443.09958	1.8
457.11432	14.4
458.12030	1.9
487.12408	6.2
508.05188	0.8
529.13409	2.5
547.14569	100.0
548.14972	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	547.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16357	0.4
57.03458	2.1
59.01388	4.5
62.10670	0.5
67.01847	0.6
70.88242	1.3
71.01402	2.9
72.99321	0.7
73.02971	1.1
75.00887	0.5
83.01395	0.9
85.02952	4.2
86.00115	1.2
87.00884	9.7
89.02461	1.8
93.03488	1.7
96.96024	9.6
99.00877	1.3
101.02483	2.0
106.63626	0.6
109.02977	0.6
111.00893	0.9
112.98850	2.5
113.02469	1.1
115.00411	0.6
119.05043	61.4
120.05418	1.6
121.02984	1.0
123.00924	1.2
124.01608	0.6
125.02472	1.6
129.01945	1.3
135.04575	3.1
137.02461	0.9
138.03207	0.9
142.99872	1.2
147.03084	1.4
151.00357	1.0
153.05528	0.6
159.04463	0.6
161.02477	1.3
163.04031	100.0
164.04443	2.4
166.02719	3.0
171.04539	0.6
173.00905	1.6
173.04573	0.8
174.77754	0.7
175.04018	1.5
176.04861	0.8
177.05554	0.6
178.06348	6.5
179.03555	1.8
179.07155	1.0
181.05072	2.3
187.04016	1.9
190.02885	0.7
191.01933	1.5
191.03529	3.3
191.05544	1.4
191.07166	1.3
192.04413	0.8
193.05142	4.0
193.08701	5.4
197.02425	0.9
199.04021	2.3
203.03568	1.1
204.04321	1.0
205.05089	2.3
206.05887	0.9
207.06560	1.1
208.07382	2.3
215.03539	4.2
217.01396	0.9
218.05823	0.8
219.03030	1.3
219.06555	1.1
221.08200	0.9
223.09760	3.4
225.01900	0.7
227.03493	6.4
230.05769	1.3
231.02975	1.3
234.05307	1.8
243.02991	10.1
244.03394	0.7
245.04561	0.7
246.05379	1.2
247.06189	1.4
249.07693	7.1
253.07373	0.6
258.05392	6.9
259.05844	0.6
261.04413	0.5
261.07626	3.1
262.04797	2.2
263.09344	0.7
265.07205	1.5
267.08704	0.5
273.07721	15.0
277.07248	4.0
279.08743	11.7
291.08737	7.0
295.08429	0.7
321.09787	1.1
337.09354	4.4
339.10739	1.3
365.08780	1.5
383.09839	1.9
401.10886	7.8
409.51474	0.6
456.51743	0.6
547.14581	18.9
547.22632	0.8
548.15100	1.4
571.10962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1675
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.03444	4.1
59.01109	2.7
59.01385	37.9
61.98837	2.0
67.01876	1.9
69.31966	2.7
69.32374	10.9
71.01392	39.8
72.24818	1.5
72.99313	3.9
73.02954	8.1
81.03477	1.8
83.01389	5.6
85.02962	40.9
86.03298	2.1
87.00867	9.9
87.38853	1.5
89.02457	28.4
93.03470	15.2
95.01396	4.9
96.96014	23.7
97.02943	2.7
98.20793	2.8
99.00882	2.3
101.02456	20.6
104.32031	1.5
108.02212	4.3
109.02982	16.4
111.00867	3.5
111.04503	4.4
113.02466	30.3
115.00404	3.0
119.01383	1.8
119.03522	8.1
121.02941	4.5
122.03761	8.4
123.04542	2.6
124.01661	2.6
127.04038	1.9
129.01953	6.0
133.02965	7.0
134.03775	4.2
135.04562	17.6
137.02495	8.0
143.03493	5.3
145.02930	4.9
146.03712	2.4
146.38956	1.6
147.03027	2.2
147.04518	6.3
148.05359	3.4
149.02440	19.5
149.05997	1.7
155.03444	3.0
159.04564	2.5
161.02412	3.7
161.04550	6.8
161.06046	5.9
163.03983	5.0
164.04826	21.0
165.05481	3.0
173.04561	27.0
175.00418	9.5
175.04060	2.6
177.05544	2.0
179.03485	7.9
179.05577	5.3
179.07111	6.6
187.04054	11.9
190.02745	32.7
191.01965	5.7
191.05621	100.0
192.06029	2.9
193.04980	2.0
195.06537	1.7
199.99300	1.6
205.05058	42.9
206.05779	5.1
207.03000	2.4
208.03769	3.9
209.03053	4.2
213.01726	1.7
219.06602	3.5
221.08194	6.5
223.04111	2.8
223.06143	38.4
225.07622	1.7
231.02942	2.1
237.07634	2.4
242.05882	4.8
250.04822	2.2
255.06668	2.4
257.07864	1.6
263.05582	6.0
265.07190	29.7
267.06638	5.3
270.09015	5.6
285.11340	32.5
295.08295	13.7
297.07629	2.3
311.09152	4.4
325.09320	16.2
329.10168	9.6
341.10440	3.9
348.56525	1.6
353.08633	4.6
355.08246	17.1
355.12070	2.4
367.10187	5.1
373.04959	2.9
373.09317	36.2
374.09641	2.3
383.11627	2.1
385.11411	6.9
412.63571	1.6
413.12018	2.1
427.12744	2.6
462.49835	1.7
509.16663	4.0
547.15967	36.3
547.24323	2.9
548.17206	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	547.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.81701	0.5
59.01083	0.4
59.01384	9.2
61.98839	7.1
62.77022	0.4
64.75821	0.5
71.01395	5.1
72.99321	0.7
73.02970	1.3
75.00861	0.6
75.58572	0.5
78.95914	4.3
79.95750	4.4
83.01402	0.9
83.64945	0.5
85.02953	3.8
87.00880	0.9
89.02451	3.4
89.53439	0.5
93.03471	3.6
95.01380	0.9
96.96026	100.0
96.96922	7.8
97.06615	0.6
99.00902	1.1
99.04563	0.6
101.02442	3.9
108.02213	0.9
109.02959	0.8
111.00884	2.3
113.02460	1.9
113.92606	1.0
119.03504	0.8
119.05067	1.3
120.99674	0.6
121.02982	0.8
124.01650	0.8
125.02448	0.9
129.32219	0.5
133.03018	0.8
134.03818	0.8
135.04549	2.1
137.02420	2.7
145.03125	0.8
151.00389	0.5
152.01201	0.6
161.02454	1.2
161.04587	1.2
163.03964	0.6
173.01018	1.2
173.04556	3.5
175.71396	0.5
178.02800	0.7
179.03514	1.7
187.07657	0.9
191.02061	1.1
191.05620	5.7
191.07169	0.7
229.49547	0.7
275.09329	1.2
311.15918	0.6
315.69095	0.5
373.15646	0.9
449.14389	0.7
450.04111	0.6
471.22311	0.9
487.29614	0.7
547.21381	1.5
547.31781	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	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72462	0.5
52.23634	0.6
55.01881	1.2
57.03454	2.3
58.00600	0.9
59.01385	100.0
60.01728	1.0
60.99267	0.5
61.98842	4.4
64.57131	0.6
67.01888	0.7
69.03459	2.2
70.39487	0.6
71.01388	23.4
71.05040	0.8
72.99310	1.0
73.02960	6.1
74.52155	0.6
75.00901	0.6
78.95884	0.8
79.53465	0.6
81.03455	1.0
83.01383	4.1
83.05073	0.8
84.35275	0.5
85.02962	14.6
87.00896	2.7
89.02462	4.0
91.19501	0.5
92.57053	0.6
93.03487	2.1
95.01425	1.7
96.96045	1.5
97.02983	1.9
97.06591	1.4
98.20688	0.9
99.00912	2.0
101.02457	16.1
102.30077	0.5
108.02216	1.6
109.02959	1.3
111.00912	0.9
111.04546	0.8
113.02460	10.7
113.03161	1.0
115.04037	0.7
116.05114	2.1
119.03530	1.4
121.10275	1.1
124.01665	1.1
125.02481	2.8
127.11296	5.3
129.01990	1.4
133.02968	0.7
134.03796	1.3
135.04578	0.7
137.02541	0.8
142.06625	4.8
143.03485	4.2
147.48199	0.6
149.06119	1.4
152.01176	1.7
152.99646	0.9
153.02010	0.8
159.02991	1.1
161.04584	4.5
163.04027	0.6
173.04555	3.4
176.07199	0.6
179.05856	0.7
185.15480	2.9
191.05692	1.6
194.08412	0.6
213.14998	0.9
231.10391	1.6
240.01691	0.6
247.08780	0.6
253.09406	1.7
275.09372	1.5
279.23398	1.7
305.13171	1.3
309.20975	1.1
310.21249	1.0
311.22202	4.0
323.14063	7.8
325.27731	1.4
343.28568	8.3
343.32233	0.8
346.26590	0.6
347.20923	2.0
373.16690	2.9
439.30325	0.8
457.32230	0.9
469.31732	0.8
487.32809	53.6
488.33212	4.1
505.33887	30.9
506.34406	2.1
547.22107	3.0
547.34985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03451	2.8
58.95464	0.5
59.01387	100.0
60.01736	0.7
61.98838	6.0
67.01881	0.6
69.03455	0.9
71.01394	13.6
71.56808	0.6
72.99326	1.0
73.02956	5.0
73.66103	0.4
83.01408	3.9
83.87874	0.5
85.02960	10.2
86.00120	0.6
87.00905	1.8
88.01215	0.6
89.02466	1.6
93.03474	3.2
94.03827	0.5
94.14971	0.5
95.01400	1.7
96.96039	0.9
97.02993	1.1
97.06613	1.0
99.00910	2.6
101.02452	11.1
108.02177	3.2
109.02993	1.5
111.00907	1.6
111.08185	0.8
113.02457	7.5
115.04089	0.8
116.13512	0.7
119.05058	1.3
121.10254	0.6
124.01695	0.7
125.02455	1.3
129.01994	0.5
134.03748	0.7
135.04561	0.7
137.02522	1.0
143.03549	2.8
144.03799	0.4
152.01192	2.7
153.01956	0.7
155.03592	0.6
159.03015	1.1
161.04552	3.5
173.04564	4.3
174.05042	0.5
175.05103	0.8
191.05603	3.3
213.18678	0.6
215.07104	1.0
216.07594	0.8
229.08821	0.8
230.09145	0.9
231.10220	1.1
275.09250	1.1
279.23422	1.8
311.22250	0.5
315.07391	0.6
325.27432	0.9
343.28647	6.6
357.26404	0.5
373.16525	1.3
423.27948	0.6
439.30859	0.9
457.31677	1.0
487.32825	52.2
488.33044	4.0
505.33936	25.3
506.34192	2.6
547.21906	6.1
547.29596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44796	1.0
55.01864	1.2
55.21372	1.0
57.03449	1.2
59.01385	63.3
60.01720	1.7
61.98836	100.0
71.01392	10.6
73.02961	5.4
74.02479	16.1
75.00876	1.1
83.01389	1.7
85.02977	7.3
87.00867	1.7
89.02440	3.3
93.03452	1.6
95.01412	1.9
96.96047	3.4
99.00847	1.2
101.02464	6.1
108.02200	1.1
112.53534	0.9
113.02441	3.8
119.03525	2.1
121.03002	1.4
123.00895	1.2
135.04465	1.7
136.01657	1.8
137.02458	1.3
151.04059	1.5
152.04341	1.5
158.02800	1.5
164.04739	2.5
173.04527	2.1
179.07137	1.9
191.05618	2.7
220.02882	1.8
344.15778	2.2
368.10626	1.8
439.95856	1.3
441.24957	1.2
486.27145	1.5
487.33136	1.6
488.32950	7.0
504.28125	17.8
506.34128	4.9
548.22223	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	549.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22399	0.8
55.01878	1.8
57.03455	11.6
58.00607	1.1
58.47644	0.9
59.01386	16.7
67.05399	1.0
68.99796	1.3
69.65316	0.9
69.66184	5.4
71.01389	14.0
72.99308	2.1
73.02963	1.1
75.00892	3.6
83.01392	2.0
84.02171	2.1
85.02959	76.3
87.00890	3.7
89.02444	6.6
93.03465	1.6
101.02444	4.5
101.91419	1.0
103.00370	2.4
108.02217	1.7
109.02959	23.3
111.00877	1.8
113.02463	2.8
115.00373	1.1
117.03500	1.5
119.03397	1.4
119.05045	5.5
121.02972	5.0
127.82516	0.9
129.01964	29.4
129.03444	8.6
130.04291	1.4
131.05042	1.5
133.01419	1.9
135.04541	1.8
137.02525	1.5
139.14120	1.3
145.02966	8.1
146.03770	7.3
147.03081	7.8
147.04538	100.0
148.04895	3.3
149.02403	1.2
157.02910	1.8
159.04521	15.7
163.04028	1.8
173.01015	1.3
173.02408	2.0
175.00377	1.5
175.04015	1.1
185.02452	1.4
189.12596	0.9
190.02765	2.2
191.01997	71.0
191.05591	2.4
205.05063	3.6
209.03038	31.6
223.06013	2.1
229.01425	16.5
249.05569	2.6
250.06212	1.5
250.48494	1.1
252.07956	1.1
253.83134	0.9
267.06555	7.6
269.08176	27.3
270.08441	1.2
277.05075	5.2
278.05811	1.7
288.72119	1.0
293.04483	2.3
294.05075	1.5
295.06046	10.6
313.07224	17.0
314.07495	0.9
339.05106	49.5
340.05380	3.3
352.01645	1.0
357.06024	3.2
357.09937	1.3
387.20297	1.4
399.07144	1.7
459.09183	1.0
517.17816	1.1
531.07562	2.2
548.15991	1.0
549.08990	5.5
549.17432	2.0
549.25244	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	549.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37825	1.7
53.03468	1.5
55.01885	2.2
57.03453	14.7
59.01385	22.6
67.14244	1.6
69.88760	8.6
71.01388	18.9
72.99325	3.3
73.02927	2.0
75.00867	3.0
83.01378	3.6
84.02187	3.0
85.02959	94.1
87.00873	5.5
89.02463	12.2
93.03462	3.5
101.02460	7.2
103.00385	2.8
108.02171	3.1
109.02959	22.4
109.57456	1.7
113.02464	3.5
119.01352	2.4
119.03448	2.4
119.05047	6.3
119.23335	1.6
121.02937	6.1
123.04576	2.7
129.01970	30.7
129.03436	7.8
130.04272	2.8
131.07121	2.1
133.01437	1.8
135.04568	2.9
137.02551	2.8
145.02917	6.9
146.03702	7.2
147.03050	6.2
147.04538	100.0
148.04884	3.4
148.47615	1.7
149.02484	9.8
150.03229	3.2
157.02982	2.4
159.04536	15.0
164.04791	9.7
165.05569	6.4
173.00870	1.9
173.04572	2.3
175.00398	8.7
181.07166	1.8
183.35594	1.8
190.02740	23.9
191.02000	75.7
191.05598	3.7
192.02280	1.6
203.03699	1.8
205.05070	20.8
206.05717	3.1
209.01036	2.1
209.03043	36.9
223.04121	1.8
223.06146	23.3
229.01466	15.4
249.05528	2.7
265.07239	9.6
267.06656	9.9
269.08237	31.1
270.08597	2.6
277.05096	7.0
293.04370	2.1
295.06046	12.7
313.07208	17.5
339.05103	56.7
340.05280	3.5
343.12421	1.9
357.05948	3.4
357.09875	6.1
549.08936	6.4
549.18127	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61660	0.3
58.35293	0.4
59.01385	0.9
61.34282	0.3
61.98859	0.4
67.21090	0.3
69.89040	1.4
77.03959	1.9
84.17142	0.3
93.03467	0.6
96.96049	0.4
117.03448	0.7
119.05024	2.3
121.02970	100.0
122.03337	1.7
145.02957	1.3
163.03998	1.5
165.01947	52.3
166.02309	1.2
178.00645	0.4
181.06590	3.0
197.06107	2.0
207.04539	0.5
207.08099	0.4
223.04034	0.5
225.05666	1.3
257.09763	0.7
313.07153	1.5
357.06052	0.7
383.07764	0.5
417.09897	2.1
456.51736	0.4
505.11682	1.8
506.12115	0.4
542.88245	0.4
549.10413	28.8
550.11102	2.6
567.26361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1254
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
53.65055	0.7
57.03426	1.0
57.83555	0.7
59.01383	7.7
59.22292	0.8
59.49757	0.6
67.03017	1.2
69.65518	4.6
71.01389	7.5
73.02966	0.7
85.02950	6.7
87.00871	1.4
89.02456	6.5
91.03003	2.3
93.03451	2.1
93.04560	3.2
95.01360	1.2
96.96017	5.3
98.95598	1.0
100.49702	0.8
101.02455	4.0
108.02168	1.0
109.02943	2.7
111.00863	1.0
111.04530	0.9
113.02412	3.1
119.02505	8.1
119.03483	2.0
119.04990	1.3
121.02950	2.1
121.04063	1.1
123.04531	1.2
133.02988	10.4
133.03940	1.5
134.03738	3.0
134.06107	2.9
135.04515	3.9
135.05553	1.4
137.02425	2.4
143.03537	0.8
144.04474	1.0
145.02953	1.3
146.02490	1.4
147.03194	5.1
147.04498	2.3
149.02411	2.5
151.04002	1.1
152.01140	1.0
153.01903	1.3
160.04048	11.5
161.02403	0.8
161.04541	1.4
161.06073	0.8
162.05617	27.5
163.00394	0.9
163.03978	2.4
173.04538	2.8
175.03992	3.7
177.01938	1.6
177.05486	0.9
179.03539	1.6
179.05605	1.5
188.03554	5.2
189.05605	1.5
190.02708	1.7
191.01967	2.1
191.03494	2.0
191.05569	3.7
195.06622	0.9
201.01935	1.5
203.03546	1.9
205.01424	0.9
205.05058	1.2
206.04558	3.2
209.03058	2.2
213.05608	1.8
222.07669	1.0
229.01468	0.9
233.04559	0.9
235.02686	0.8
238.09851	1.0
239.07277	1.2
240.07782	2.0
241.05009	3.3
256.03925	0.9
256.07370	3.3
267.06531	1.7
269.07788	0.8
271.09769	8.0
281.04559	1.0
282.05701	1.1
282.08835	14.8
283.06024	1.4
297.04016	3.1
298.04877	7.7
299.05536	3.4
309.03918	2.1
310.04752	1.2
311.05621	7.9
312.06360	8.6
313.07211	8.1
315.07178	1.3
323.05463	2.2
325.07077	2.1
326.07837	5.4
327.05157	6.2
339.05075	14.7
340.05502	1.2
341.06601	5.8
343.10916	0.9
344.05273	1.1
351.05103	1.2
353.06708	3.8
357.05865	1.6
366.31406	0.8
367.04584	1.1
369.06143	42.3
370.06384	3.2
381.06076	6.3
383.07629	1.2
385.14157	1.0
387.10657	2.5
387.20096	1.7
397.05682	1.0
399.07233	35.8
400.07571	2.7
411.07172	4.2
413.08630	1.3
423.07077	2.3
429.08249	6.9
441.08289	6.2
453.08386	1.1
459.09396	37.1
460.09567	2.2
471.09030	1.2
489.10403	11.3
531.11115	4.1
549.12469	100.0
550.12762	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	549.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37498	3.5
50.81536	4.2
55.01862	4.0
57.03452	12.6
59.01385	97.0
61.98834	11.3
69.83666	3.8
70.37026	15.4
71.01383	68.1
72.99318	15.8
73.02940	11.7
83.01389	10.5
85.02966	35.2
87.00885	14.0
89.02455	58.2
93.03462	58.7
95.01391	6.2
95.05026	4.4
96.96037	20.5
97.06577	4.6
98.20651	4.0
101.02447	46.0
107.05041	4.4
108.02167	13.9
109.02975	7.9
111.00885	4.1
113.02434	25.2
115.92082	8.7
116.92875	6.4
117.03471	3.7
118.96097	3.5
118.98076	5.0
119.03517	23.8
119.05007	20.9
120.99636	3.9
121.02977	14.5
123.04519	7.9
125.02406	4.3
129.01924	4.8
133.02966	21.5
134.03792	20.0
135.04539	41.8
137.02440	10.5
147.03123	4.2
147.04530	13.0
148.01608	8.4
149.02473	9.5
149.04564	4.6
149.06094	6.2
150.03214	8.9
151.04070	18.6
152.01147	9.8
152.08412	5.4
153.09215	9.8
160.01649	10.4
161.02487	22.3
161.04570	11.4
163.04025	100.0
164.04648	19.6
165.05598	4.9
173.04523	11.3
175.04021	18.9
177.02003	6.1
178.02698	8.2
179.03516	16.0
179.05580	9.2
179.07086	8.1
181.05170	18.9
190.02779	12.2
191.01888	5.5
191.03563	8.5
191.05603	22.1
193.05103	17.2
205.05034	17.9
206.05768	4.6
209.04575	5.1
211.06163	18.0
221.08212	12.0
223.06102	18.4
223.13423	4.5
226.06219	4.2
227.12794	5.9
240.07747	4.2
251.08061	3.8
265.07126	26.9
268.07541	6.0
283.09848	4.5
284.24243	4.1
293.04559	5.7
295.05286	4.7
295.08307	8.6
309.07599	9.4
311.07770	9.5
322.08414	5.1
323.09048	8.6
325.09335	10.5
339.08749	41.8
345.06094	4.3
354.11008	9.0
369.13449	49.9
373.11493	6.9
403.11234	6.0
448.95364	4.0
519.22357	9.1
549.15771	56.0
549.30212	60.6
550.15649	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	549.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37498	3.5
50.81536	4.2
55.01862	4.0
57.03452	12.6
59.01385	97.0
61.98834	11.3
69.83666	3.8
70.37026	15.4
71.01383	68.1
72.99318	15.8
73.02940	11.7
83.01389	10.5
85.02966	35.2
87.00885	14.0
89.02455	58.2
93.03462	58.7
95.01391	6.2
95.05026	4.4
96.96037	20.5
97.06577	4.6
98.20651	4.0
101.02447	46.0
107.05041	4.4
108.02167	13.9
109.02975	7.9
111.00885	4.1
113.02434	25.2
115.92082	8.7
116.92875	6.4
117.03471	3.7
118.96097	3.5
118.98076	5.0
119.03517	23.8
119.05007	20.9
120.99636	3.9
121.02977	14.5
123.04519	7.9
125.02406	4.3
129.01924	4.8
133.02966	21.5
134.03792	20.0
135.04539	41.8
137.02440	10.5
147.03123	4.2
147.04530	13.0
148.01608	8.4
149.02473	9.5
149.04564	4.6
149.06094	6.2
150.03214	8.9
151.04070	18.6
152.01147	9.8
152.08412	5.4
153.09215	9.8
160.01649	10.4
161.02487	22.3
161.04570	11.4
163.04025	100.0
164.04648	19.6
165.05598	4.9
173.04523	11.3
175.04021	18.9
177.02003	6.1
178.02698	8.2
179.03516	16.0
179.05580	9.2
179.07086	8.1
181.05170	18.9
190.02779	12.2
191.01888	5.5
191.03563	8.5
191.05603	22.1
193.05103	17.2
205.05034	17.9
206.05768	4.6
209.04575	5.1
211.06163	18.0
221.08212	12.0
223.06102	18.4
223.13423	4.5
226.06219	4.2
227.12794	5.9
240.07747	4.2
251.08061	3.8
265.07126	26.9
268.07541	6.0
283.09848	4.5
284.24243	4.1
293.04559	5.7
295.05286	4.7
295.08307	8.6
309.07599	9.4
311.07770	9.5
322.08414	5.1
323.09048	8.6
325.09335	10.5
339.08749	41.8
345.06094	4.3
354.11008	9.0
369.13449	49.9
373.11493	6.9
403.11234	6.0
448.95364	4.0
519.22357	9.1
549.15771	56.0
549.30212	60.6
550.15649	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	549.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27532	0.6
52.69933	0.6
55.01873	1.0
57.03460	5.0
58.00601	2.4
59.01386	100.0
61.98832	5.5
70.84299	1.4
71.01389	45.3
72.99316	3.6
73.02966	4.5
73.81206	0.7
75.00887	2.3
83.01395	3.7
84.02156	1.7
85.02197	1.0
85.02964	42.2
87.00881	3.9
89.02454	48.3
93.03455	3.4
95.01395	4.4
96.96029	7.7
99.00917	2.6
101.02451	25.3
101.03108	1.2
103.74348	0.6
108.02209	2.3
109.02962	5.1
111.00917	1.8
113.02460	18.2
113.03259	0.9
115.00374	0.8
116.92867	0.7
119.03516	16.2
119.05042	2.5
121.03003	2.2
123.04548	0.9
125.02474	2.4
129.01962	8.0
129.03508	2.4
130.04256	1.0
130.98927	0.7
131.03537	2.9
133.01440	1.2
133.03027	0.9
134.03743	4.4
135.04559	2.9
137.02460	1.4
137.09756	1.0
143.03506	5.0
145.02991	2.1
146.03755	1.9
147.03055	3.5
147.04564	19.8
147.05653	1.3
148.05186	0.9
149.02470	8.9
149.04553	1.6
149.06125	0.8
150.03218	0.9
152.01140	1.2
158.03798	0.7
159.03145	1.3
159.04565	4.3
161.02487	1.1
161.04567	7.0
161.05946	0.9
163.04041	1.3
163.11304	1.0
164.04816	12.7
165.05496	2.1
173.04604	2.8
175.00420	1.9
175.04166	1.2
177.01874	0.9
179.03798	1.5
179.05649	11.5
179.07205	23.9
189.05609	0.8
190.02753	3.4
191.01988	19.0
191.03659	1.3
191.05624	7.0
192.05972	1.2
193.05144	1.9
195.06665	0.8
205.05096	4.3
206.05748	1.5
207.06673	1.0
209.03040	15.2
209.04837	1.1
219.02962	0.8
221.06389	1.2
223.06206	5.2
227.09282	11.9
229.01454	3.6
241.05177	1.7
251.07256	1.1
256.07480	2.0
265.07349	1.6
266.05737	1.2
267.06613	3.2
269.08240	7.5
271.09750	4.9
277.05142	1.1
281.08362	0.9
282.08945	1.6
284.10703	0.9
295.06088	3.3
299.12878	0.8
313.07260	4.0
313.10645	0.8
325.10901	1.3
339.05069	11.5
339.08850	0.7
357.06158	1.3
357.10040	1.2
387.11884	1.0
387.16745	1.6
387.20648	3.7
549.16742	11.3
549.25500	25.7
550.15912	0.7
550.26575	1.3
577.78638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52456	0.6
55.01883	1.7
57.03454	4.9
58.00601	4.9
59.01386	100.0
60.37672	0.5
63.32793	0.6
71.01391	68.9
72.99309	4.5
73.02957	5.5
75.00873	1.4
83.01397	4.3
84.02191	0.8
85.02962	33.4
87.00888	5.3
89.02456	79.3
93.03473	1.8
95.01403	4.7
96.96025	1.1
96.99330	0.9
97.02972	1.2
98.20666	1.2
99.00890	2.6
101.02459	44.9
108.02167	2.6
109.02984	4.3
111.00893	1.1
113.02460	28.7
115.04014	0.7
119.03516	37.2
119.04945	1.8
121.02974	0.9
123.04542	1.4
125.02443	1.5
129.01985	4.0
129.03471	1.6
131.03535	4.6
134.03796	2.8
135.04567	0.8
137.02435	1.3
137.09740	0.8
138.08031	0.6
143.03514	6.8
145.02968	2.2
146.03729	1.7
147.03023	1.8
147.04532	16.2
148.05243	1.1
149.04520	2.5
158.03670	0.8
159.02997	1.8
159.04492	3.4
161.04575	11.5
161.05911	1.3
164.04752	1.1
174.03209	0.6
178.02664	0.8
179.05624	15.5
179.07149	0.6
189.12779	1.7
190.02731	1.0
191.01982	10.1
191.05524	1.7
193.04976	2.7
205.05020	1.6
209.03047	6.9
210.41281	0.6
223.06059	1.9
225.14815	1.6
229.01260	1.6
241.04994	1.8
249.05574	1.1
256.07251	2.1
266.05652	1.1
267.06546	3.5
268.07288	1.2
269.08249	5.1
271.09653	2.3
277.04843	1.0
280.07413	0.8
282.09064	3.9
283.09735	1.6
284.10333	1.9
295.05884	1.7
297.11197	2.3
309.07547	1.3
310.08121	1.2
313.07220	2.8
313.10385	0.9
325.10654	2.0
339.05167	6.9
357.09717	1.2
357.15634	0.7
369.19128	1.4
370.69473	0.6
377.85623	0.7
387.20355	7.2
430.93796	0.7
489.19424	1.9
527.12915	0.7
549.15704	22.6
549.24896	49.8
550.15857	2.3
550.24872	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03456	3.3
58.00608	1.8
59.01386	42.9
60.99326	0.4
61.98838	1.3
68.99831	0.4
69.03465	0.7
69.97447	1.7
71.01392	42.9
71.05051	0.4
72.99312	2.3
73.02954	9.8
75.00888	1.2
77.23448	0.3
83.01402	5.6
85.02962	22.5
85.06602	0.6
86.00137	1.2
86.03304	0.4
87.00890	6.9
88.98814	2.1
89.02455	26.0
93.03464	0.8
95.01395	3.8
96.96043	1.4
97.02972	0.9
98.19949	0.5
99.00891	3.2
101.02457	30.8
102.56123	0.3
109.02979	1.6
111.00910	1.1
113.02460	18.1
119.03520	10.5
119.04971	0.5
121.02998	0.7
125.02477	1.0
129.01965	2.6
129.03433	0.4
131.03519	0.9
134.03760	0.8
135.04553	0.7
137.02509	0.4
140.40663	0.3
143.03477	2.0
145.03000	0.5
147.03273	0.5
147.04526	4.2
148.05293	1.1
149.04648	0.6
151.03998	0.4
153.09143	0.5
159.03029	2.3
159.04500	0.7
161.02545	0.6
161.04587	9.0
161.05920	0.8
162.03258	0.9
163.03949	0.5
163.11331	2.6
164.04861	0.8
173.04608	0.8
175.00385	0.9
175.03896	0.6
177.05577	1.4
179.03601	0.4
179.04008	0.5
179.05646	4.9
181.12233	0.5
189.12878	1.0
190.02701	2.1
191.01973	3.2
191.03506	0.4
191.05626	1.4
195.06686	0.6
195.13911	1.0
197.15599	0.4
205.05096	1.8
207.06537	0.7
207.13882	1.5
209.02962	1.9
209.11829	1.2
223.06165	1.3
223.13490	0.4
225.14967	9.2
226.15355	0.5
229.01483	0.7
247.06160	1.1
249.05562	0.4
251.05586	4.3
256.07431	0.4
269.08240	1.3
271.09772	0.8
289.06982	0.6
291.05048	1.8
295.06201	0.7
313.07281	1.5
339.04990	2.5
351.07370	1.9
369.19193	0.9
371.17096	5.7
386.19385	0.9
387.11084	1.3
387.20270	59.4
388.20618	3.9
399.07129	0.7
441.21484	0.6
459.09235	0.9
459.22275	0.8
484.07800	0.4
485.16180	0.5
513.12445	1.4
549.25543	100.0
550.25946	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	549.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
59.06956	0.1
71.01379	0.8
71.03388	0.1
71.03734	0.2
73.02950	0.2
78.95924	0.5
79.95749	2.5
85.02943	0.5
87.00875	0.1
89.02460	0.6
93.03461	0.2
96.96024	100.0
97.95995	0.3
101.02459	0.5
104.30364	0.1
107.54079	0.1
109.02966	0.2
113.02466	0.3
116.92882	0.7
119.03532	0.3
119.05047	0.3
121.02974	0.8
128.91750	0.1
128.92696	0.1
133.02942	0.1
134.03848	0.1
135.04546	0.1
143.03558	0.1
147.04579	0.1
161.04561	0.3
163.04059	0.2
166.83109	0.1
173.04596	0.1
179.05638	0.1
191.01927	0.1
191.03531	0.2
191.05605	0.2
204.59393	0.1
205.05014	0.2
221.08279	0.1
222.28999	0.1
256.07355	0.1
291.69479	0.1
297.04077	0.2
298.04901	0.8
327.05127	0.1
343.11948	0.4
366.25769	0.1
387.10867	0.1
387.20242	0.2
399.07166	0.2
440.54434	0.1
459.09253	0.3
549.12231	1.1
549.25000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82244	0.9
51.36794	1.0
52.05941	1.1
57.03445	2.4
58.02977	8.4
58.24060	0.9
58.99609	2.3
59.01388	14.4
60.08310	1.0
61.98578	1.1
61.98840	12.6
71.01384	10.9
72.00875	1.0
72.99316	2.3
73.02944	1.5
73.65572	1.0
74.02490	17.6
81.04610	1.2
82.03001	2.3
83.01370	1.7
83.02546	1.1
84.04506	1.2
85.02962	6.1
86.02494	7.4
86.99123	1.6
87.00883	3.9
87.04562	1.0
87.05643	3.6
88.98811	3.9
89.02457	8.9
90.00185	1.8
90.37537	1.1
93.03475	3.1
96.96022	2.1
97.04086	2.7
99.00916	1.2
99.04559	1.0
99.05652	14.5
101.02448	7.6
101.07222	2.9
102.05614	2.9
108.02180	1.1
109.02956	2.2
109.04078	2.3
111.00861	1.8
112.04016	1.6
113.02448	4.5
113.03535	1.1
116.01819	1.1
117.03465	2.8
119.03522	2.6
119.05046	2.1
121.02974	2.0
123.04581	1.4
125.03564	1.4
127.05132	3.5
128.03555	46.6
132.02155	2.7
133.02997	2.3
134.03770	10.8
135.04535	2.6
135.05646	2.8
137.02455	3.7
139.00397	5.4
139.03999	1.4
141.06693	1.8
143.04636	62.6
145.02977	7.3
145.06169	2.1
146.04662	5.5
147.04515	6.1
148.04901	2.4
149.02502	1.6
149.06046	1.4
153.06694	4.9
160.00487	9.4
160.01874	11.7
161.02507	6.6
161.04597	1.5
162.03221	7.9
163.04056	1.8
165.05516	1.4
166.09860	2.0
167.04626	2.9
167.08282	2.4
171.07727	1.1
173.04604	2.8
175.04004	15.6
176.04761	2.7
177.01993	1.1
177.03374	3.5
177.05574	2.3
178.02663	1.2
179.03456	1.1
179.04643	12.7
180.04144	1.7
182.99371	1.7
185.05719	2.8
190.02687	2.9
191.01979	2.1
191.05638	2.0
191.07182	4.2
192.07661	1.6
193.05038	13.2
195.06625	2.5
197.05687	1.9
205.05048	1.8
207.06618	1.5
210.08818	11.5
220.03606	1.3
235.06133	9.5
241.05046	1.3
254.07846	16.1
265.07104	6.1
272.08905	28.2
273.09152	1.4
273.59851	1.0
288.06659	6.7
295.08261	6.2
297.06778	0.9
306.07690	100.0
307.07993	3.2
332.09256	3.8
341.06662	2.7
355.10281	2.1
358.09973	1.5
359.14978	2.5
367.10663	1.1
384.08029	3.8
420.76547	1.1
461.10895	3.0
483.23108	1.2
483.30994	1.0
503.15375	2.0
533.16791	7.4
550.20673	8.3
550.29346	2.3
551.30603	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	550.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80450	0.4
55.01902	2.0
57.03459	1.8
58.00592	0.5
59.01387	100.0
60.01731	0.7
60.40911	0.4
61.98838	2.5
67.01919	0.4
67.04308	0.4
69.03471	0.7
69.23978	3.1
69.24383	0.8
71.01394	21.3
72.99326	1.7
73.02958	7.3
74.02478	0.9
75.00893	0.9
78.95915	0.4
83.01404	5.6
84.38701	0.3
85.02962	15.2
86.00115	1.3
87.00894	1.2
89.02448	3.2
93.03495	1.1
95.01396	2.1
96.96037	0.6
97.02985	1.1
99.00891	3.4
99.04541	0.4
101.02458	18.9
102.05670	0.4
109.02969	0.6
111.00922	3.3
112.01728	0.7
113.02466	11.2
115.04058	0.6
115.92124	2.9
116.92123	1.0
116.92888	0.9
117.92859	0.4
119.03530	0.6
121.02914	0.4
124.01682	1.2
125.02466	2.2
129.01939	0.4
135.04547	0.8
137.02458	1.0
140.88246	0.4
141.01985	0.5
143.03520	1.9
152.99626	0.4
159.03003	2.1
161.04570	5.4
168.00653	0.5
173.04588	0.8
191.05615	0.7
239.20032	0.5
241.21808	2.1
271.22800	6.0
283.22922	0.7
316.63342	0.4
328.28448	1.1
346.29742	3.2
366.18509	0.5
367.10098	0.4
403.27100	7.1
404.27350	0.7
415.26752	0.9
433.28265	0.9
442.31613	0.5
460.32895	0.6
472.33157	2.8
490.33899	75.2
491.34183	6.0
508.34940	24.0
509.35281	1.6
550.35382	2.5
551.14026	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	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03448	5.2
59.01388	24.5
70.30392	5.0
71.01393	17.8
72.99331	1.4
73.02946	1.5
75.00854	1.4
79.95739	1.7
84.02187	1.9
85.02960	48.1
87.00893	4.0
89.02461	15.9
93.03471	5.7
96.96005	3.6
98.02488	2.1
98.20557	1.7
101.02461	13.9
103.00356	1.6
107.05032	1.6
108.02165	1.6
109.02966	4.7
111.00861	1.9
112.04095	1.7
113.02463	5.6
113.03160	1.2
115.00384	1.6
117.03435	2.1
119.03523	6.7
119.36305	1.3
121.02972	62.6
123.04547	3.2
129.01949	5.7
129.71503	1.4
133.02876	2.7
134.03752	4.9
135.04544	100.0
135.36374	1.3
136.01672	2.2
136.04855	2.2
137.02461	11.7
145.06618	3.1
147.03017	8.2
147.04491	3.3
149.02431	1.9
149.06099	1.7
151.00401	2.2
153.05569	1.9
155.03511	1.3
161.02426	5.4
161.06030	2.1
164.04791	2.2
166.02742	4.7
173.00977	2.1
173.04524	5.9
175.03993	5.3
179.03531	16.7
179.05731	2.7
181.05066	5.9
190.02713	1.4
191.02003	22.8
191.05612	18.5
196.02507	3.8
197.04597	3.8
200.04849	2.2
205.01459	2.2
205.08881	1.5
209.03047	20.2
211.04047	5.7
213.05469	1.6
219.02998	8.0
228.04312	4.2
229.05013	2.7
234.05360	8.3
239.03571	6.4
239.34868	1.3
249.07661	5.8
256.03790	4.9
257.04544	9.3
257.08154	1.4
267.08789	6.1
271.06174	19.8
271.09021	2.5
272.06863	10.9
279.06705	2.4
286.08496	18.1
287.09262	46.3
288.09558	3.8
293.08698	2.0
297.11475	1.5
299.05182	1.5
315.08850	2.6
317.06644	1.6
327.12222	3.3
341.06326	4.3
345.13483	1.7
359.07513	6.1
371.06723	1.4
371.11179	6.3
377.08813	16.2
389.07233	10.1
389.12399	18.0
449.14566	19.5
450.14868	1.8
533.12994	5.7
551.13922	21.7
551.26239	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	551.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80913	1.6
57.03447	3.4
57.36085	1.5
59.00067	1.6
59.01386	45.8
61.98833	2.1
69.32481	7.6
69.32893	5.8
71.01395	35.7
72.99332	2.3
73.02949	6.8
74.02457	1.9
74.99091	2.0
75.00874	2.0
83.01395	2.9
85.02964	27.8
87.00887	6.8
87.04440	1.8
89.02457	27.5
93.03454	8.7
95.01384	3.5
96.96014	3.8
99.00904	1.6
101.02446	19.0
107.05031	8.5
108.02181	2.5
109.02956	3.6
111.00891	4.5
113.02467	11.1
119.03536	10.0
119.05030	5.2
120.99670	3.9
121.02962	9.1
122.03732	6.0
123.04530	3.6
132.02185	16.3
133.02948	4.5
134.03761	24.0
135.04541	42.9
136.01654	3.4
136.04774	2.2
137.02489	7.6
143.03529	2.5
145.02917	2.4
147.00919	2.2
147.04527	5.5
148.05316	2.0
149.02457	8.6
149.06041	3.7
150.03247	64.6
151.04005	2.4
153.05539	2.0
160.01678	76.3
161.02419	1.9
161.04536	6.0
163.03990	4.5
164.04796	5.7
165.01923	3.5
165.05591	92.6
173.04530	6.0
175.00507	8.9
175.04016	93.7
176.04555	5.3
177.01898	2.0
178.02699	2.3
179.03448	4.1
179.05621	5.4
179.07109	2.2
180.04311	5.1
190.02727	27.1
190.06403	4.2
191.01985	6.3
191.05658	3.7
191.07146	5.5
192.04230	1.7
193.05067	21.8
195.06584	4.8
205.05083	27.3
205.08728	3.5
206.05763	2.3
208.03905	2.2
208.07431	3.7
209.03012	3.7
217.05179	2.3
217.14502	2.6
223.06177	10.6
256.45554	1.8
265.07114	2.0
271.06073	3.5
295.08551	2.0
297.11322	2.7
301.10706	3.3
327.12405	1.7
333.15594	2.0
335.17154	2.0
337.09323	100.0
338.09674	4.4
341.10184	2.1
359.11667	1.4
359.15112	20.2
367.10385	31.1
370.19507	1.8
371.11615	1.9
374.14273	1.8
379.19769	5.8
389.11719	3.0
389.16089	8.4
389.21393	3.6
493.26471	6.5
502.50638	1.8
551.17535	42.8
551.29968	11.5
552.18054	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	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56278	0.7
55.01872	1.2
57.03440	3.3
58.00585	1.0
59.01385	26.9
61.98831	4.2
70.29390	3.7
71.01392	17.9
71.73155	0.7
72.99310	3.1
73.02959	1.6
83.01358	2.0
85.02963	20.1
87.00916	2.0
88.98828	0.8
89.01932	1.5
89.02460	22.5
93.03474	3.8
96.90923	0.8
96.96010	3.6
101.02446	9.3
107.44087	1.2
108.02197	1.1
109.02988	1.0
113.02446	5.7
117.03483	0.9
118.60607	0.9
119.03542	6.6
119.04987	2.2
120.99670	1.6
121.02972	100.0
122.03297	1.4
129.01941	2.2
134.03767	2.2
135.04539	14.2
137.02444	2.9
143.03505	2.1
145.02950	3.5
145.06581	4.5
147.03009	2.0
147.04500	2.4
150.03223	1.3
151.03915	1.1
161.04526	2.3
163.03981	2.4
163.07529	1.0
165.01897	1.4
165.05551	1.6
166.02711	1.8
173.04515	2.7
174.03241	0.9
175.03969	2.4
177.01794	1.0
179.03458	3.8
179.05618	4.1
179.07071	0.9
181.05058	2.2
191.02023	7.5
191.03531	1.3
191.05632	6.3
193.05051	2.4
195.06580	1.5
203.03548	1.7
209.03067	4.8
210.03369	0.9
219.02985	10.7
234.05357	7.2
242.05763	1.9
243.06456	1.4
249.07692	9.9
257.08170	2.5
267.06598	1.2
279.06570	1.5
294.08765	1.3
297.11124	1.5
307.08038	2.2
309.11197	1.7
341.06046	1.4
341.10074	1.2
353.10086	2.5
359.07501	1.5
371.11377	1.6
377.08737	3.4
388.82568	0.9
389.07507	2.1
389.12378	1.2
389.22314	0.9
411.59256	1.1
551.18671	1.6
551.26678	5.4
559.65259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.4
58.00597	3.3
59.01387	12.7
61.98832	2.3
66.75720	0.8
70.87891	1.8
71.01389	12.2
72.99318	1.5
73.02969	2.8
75.91575	0.9
80.91275	1.0
83.01378	2.2
84.89771	0.9
85.02956	6.5
87.00892	5.9
88.98816	2.0
89.02449	5.7
91.01891	1.2
93.03484	2.7
95.01361	1.1
96.96029	1.6
99.00875	1.2
101.02446	6.0
106.04288	1.0
106.06639	1.5
107.05036	3.9
108.02140	1.0
109.03002	1.2
112.96337	0.9
113.02460	4.3
114.65443	0.9
117.03477	2.3
119.01410	3.3
119.03548	1.7
119.05045	11.8
121.02979	4.0
123.04514	1.5
123.99251	0.9
124.36243	1.0
124.55770	0.8
125.02431	1.8
128.03584	1.1
129.01952	1.0
132.02180	3.4
133.02985	2.1
134.02751	1.4
134.03752	25.3
135.04543	48.7
136.01704	1.1
136.04860	1.5
137.02429	1.3
139.04031	3.5
143.04626	1.7
145.02957	6.5
146.03754	2.3
147.00885	3.5
147.04518	11.1
148.01601	1.1
149.02448	14.9
149.06104	2.4
150.03194	2.7
150.05626	2.6
151.03989	1.5
152.01245	2.1
159.03058	1.1
160.01678	11.0
161.02475	6.3
161.04692	1.8
161.06093	1.4
162.03249	4.6
163.04033	8.7
164.04802	16.2
165.01965	3.1
165.05588	22.4
173.04605	2.1
175.00380	29.4
175.03987	12.4
176.01135	4.1
176.04709	2.6
177.01932	1.6
177.05580	2.3
178.02705	1.7
179.03516	2.8
179.07182	3.4
180.04196	1.1
181.05016	1.1
183.02838	0.9
189.01999	0.9
190.02733	84.5
190.11061	1.0
191.03429	9.0
191.05551	2.2
191.07150	4.0
193.01459	1.0
193.05069	10.6
195.06639	2.7
205.05072	89.4
206.05441	4.3
207.06673	1.9
208.03813	2.7
209.04626	2.2
223.06133	20.6
225.07776	1.1
235.06094	8.6
265.07114	6.3
295.08124	5.4
298.04797	1.0
307.07959	2.9
353.08716	2.4
355.10333	1.1
359.14972	1.1
363.20529	1.8
367.10373	45.2
368.10684	1.5
389.12454	1.3
389.25101	1.0
503.15610	100.0
504.15933	7.3
515.15631	4.5
516.15808	1.5
527.51105	1.0
533.16565	14.0
534.16937	1.2
551.17621	6.8
551.31152	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
57.03421	3.3
58.00586	2.3
59.01389	54.4
61.98814	4.3
69.75476	8.4
71.01390	50.8
71.97131	1.6
72.99299	3.3
73.02962	11.4
75.00881	3.0
83.01402	7.7
85.02960	24.5
87.00864	7.3
89.02459	26.5
91.01884	2.4
93.03439	3.6
95.01341	4.9
96.96021	62.4
97.95930	2.4
98.95611	27.4
98.96335	3.8
99.00841	5.3
101.02452	41.3
107.04975	2.6
111.00861	2.1
113.02471	21.4
119.01357	2.5
119.03451	8.5
119.05040	86.1
120.05297	2.3
121.03011	8.2
123.04517	2.2
125.02415	2.8
128.03525	1.9
134.03752	8.0
135.04550	13.6
137.02446	2.3
137.06047	4.3
138.03189	1.9
139.00339	2.1
143.03464	2.2
145.02895	5.7
146.03758	13.8
147.00838	3.6
147.04538	100.0
148.04890	2.1
149.02461	39.6
149.05965	1.7
150.03136	4.6
151.04022	2.9
152.01128	2.8
159.02835	2.2
160.01637	2.0
161.02380	2.2
161.04488	7.1
163.04034	11.3
164.04810	32.6
165.01917	3.2
165.05482	7.2
173.04417	2.7
174.99091	2.6
175.00381	29.6
175.03911	3.1
176.01031	6.7
176.04871	1.7
177.01891	2.6
177.05486	4.6
179.03459	1.8
179.05574	3.2
179.07051	6.0
189.01810	1.9
190.02734	82.8
191.03348	15.8
191.05359	3.2
192.04210	2.4
193.01357	3.2
193.04932	6.4
195.06552	3.2
203.07048	3.5
204.04100	1.9
205.05078	78.5
206.05818	18.0
207.02907	3.9
208.03596	6.4
221.08182	18.5
223.06117	66.0
224.06529	2.6
235.05960	3.3
237.07690	8.3
245.17372	1.8
247.05981	4.6
250.04729	4.4
265.07190	78.3
266.07278	3.4
295.08267	33.7
312.06262	1.8
325.09311	43.1
326.09464	4.0
367.10312	4.0
371.20261	2.8
385.11450	15.6
389.17142	2.4
389.21658	17.4
493.26093	4.8
503.15134	2.1
533.16730	57.5
534.16528	2.8
551.17267	9.3
551.26721	83.1
552.27148	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	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20832	0.6
55.01884	1.4
57.03456	1.5
58.00599	3.5
59.01388	14.2
61.98823	2.0
69.41283	6.8
70.37807	0.7
71.01392	11.9
72.96921	0.7
72.99325	1.3
73.02946	3.0
74.71838	0.7
75.00875	0.8
83.01391	2.4
85.02959	7.4
87.00883	4.7
88.98824	0.9
89.02452	8.3
90.04993	0.7
93.03465	3.2
95.01392	1.2
96.96038	1.7
97.02953	0.8
98.19764	0.8
99.19451	0.9
101.02455	8.1
107.05083	1.3
108.02185	1.6
111.00954	0.8
113.02462	4.8
116.92882	2.6
117.03475	1.9
119.01385	0.9
119.03509	3.4
119.05054	2.7
121.02968	4.3
122.03783	1.5
123.00866	1.4
123.04523	2.0
125.02398	0.9
132.02200	15.8
133.02921	2.6
134.03758	23.2
134.64230	0.9
135.04562	11.1
137.02475	3.3
145.02946	4.9
147.04520	3.5
149.02460	12.4
149.06134	4.0
150.03241	27.2
151.04033	2.4
152.01152	1.0
160.01678	82.4
161.02470	9.4
161.04575	2.2
162.03233	3.5
163.04027	3.2
164.04845	5.3
165.01978	1.6
165.05602	19.9
173.04602	2.5
173.53252	0.8
175.00616	4.8
175.04019	94.8
176.01186	1.7
176.04526	2.9
177.05576	2.2
178.02719	1.9
179.03487	3.8
179.05627	1.2
180.04266	2.7
181.05045	0.8
186.59602	0.8
190.02757	15.5
191.03458	2.4
191.05620	2.4
192.04282	0.8
193.05081	22.1
194.05727	0.8
195.06639	17.4
195.08357	1.7
202.02773	1.0
205.05077	14.3
223.06155	4.8
225.07796	1.0
235.06035	1.4
265.07114	1.9
265.50351	0.9
276.45346	0.8
300.76761	0.9
323.07590	1.5
325.09656	1.0
337.09308	48.6
338.09671	2.5
353.08649	1.2
367.10379	8.0
389.15656	1.5
389.21582	1.4
419.16095	0.9
503.15652	100.0
504.16068	5.8
515.15552	2.6
533.16754	8.7
533.29193	1.1
549.77155	0.9
551.17999	2.3
551.31293	10.7
571.66406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.7
57.03454	3.9
58.00591	1.2
59.01386	42.3
61.98837	17.5
69.57397	4.5
69.66019	0.6
71.01392	42.6
72.99311	2.8
73.02955	10.0
75.00870	1.0
83.01395	5.8
85.02961	26.6
87.00886	6.9
88.98797	0.8
89.02457	24.5
93.03469	1.8
94.78726	0.9
95.01397	3.5
96.96040	1.7
96.99576	0.7
97.02988	1.5
98.20667	0.6
99.00883	5.0
99.04522	0.7
101.02454	31.3
109.02973	1.6
111.00888	1.6
113.01251	0.8
113.02463	17.5
119.03523	10.5
120.99718	0.6
121.02976	2.1
124.20611	0.6
125.02448	1.2
129.01961	3.2
130.02173	0.7
131.03542	1.4
134.03778	1.0
135.04556	4.7
137.02461	1.1
143.03519	2.6
145.02956	0.8
145.06613	2.1
147.03052	1.2
147.04524	3.1
148.04900	1.2
149.02409	1.7
150.03191	1.2
153.01949	1.9
158.15976	0.7
159.03027	2.3
161.04602	7.8
161.05946	1.0
163.04053	0.8
164.04800	1.6
165.05533	1.9
166.02835	0.9
168.04300	1.9
173.00873	0.8
173.02386	0.7
173.04584	1.2
174.03181	0.6
175.04045	1.1
179.03513	1.8
179.05659	3.8
180.04323	0.8
181.05058	0.7
182.84454	0.7
183.06667	1.4
190.02716	2.4
191.01894	4.7
191.05602	3.2
192.02364	0.9
193.05045	1.9
205.05147	1.8
206.05502	1.6
209.03091	3.2
221.06422	0.8
223.06104	1.8
225.06810	0.9
235.06131	1.2
238.10086	0.7
265.07196	1.2
267.06735	2.6
282.08960	1.4
287.09259	1.3
297.11389	2.2
315.12299	1.5
327.12549	1.9
339.05087	0.7
341.05786	1.4
341.10370	0.7
359.07632	0.7
389.07547	1.1
389.12390	1.5
389.21841	16.0
389.26611	1.1
491.17468	0.9
513.25604	2.2
551.19604	4.1
551.27203	100.0
552.27625	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07208	0.4
55.01876	2.2
57.03452	5.0
58.00594	5.1
59.01384	100.0
60.01730	1.0
61.01832	0.5
61.98829	2.0
68.99845	0.4
71.01388	73.6
71.55494	0.4
71.55988	0.9
72.01743	0.8
72.99313	7.5
73.02953	4.8
75.00880	1.5
83.01392	6.3
84.02177	1.4
85.02959	38.3
86.03285	1.0
87.00890	5.2
89.02451	83.3
90.02802	1.3
93.03461	1.5
95.01407	5.2
96.96034	1.5
97.02958	0.7
99.00888	1.7
101.02451	48.3
102.02805	0.8
108.02210	0.7
109.02963	1.1
111.00928	1.0
111.04533	0.5
112.98866	0.6
113.02460	27.8
115.00343	0.4
116.92886	1.3
117.92925	0.6
119.03513	40.9
120.03804	0.6
121.02985	2.6
123.04538	1.3
125.02482	1.0
128.58278	0.5
129.01964	3.5
131.03535	3.6
133.02979	1.0
134.03772	1.4
135.04546	8.1
137.02460	1.5
138.49541	0.4
142.71313	0.4
143.03522	6.1
145.02936	0.8
145.06607	0.6
147.03052	4.0
147.04503	1.5
149.02505	0.7
149.04562	3.3
149.06061	0.9
150.03186	1.0
151.04031	0.7
159.03044	0.6
159.04503	0.5
161.02448	0.6
161.04575	7.1
165.05557	1.3
173.00935	0.7
173.04573	2.1
175.04022	1.5
179.03635	3.8
179.05623	13.9
181.05112	0.6
191.01974	12.7
191.03661	0.9
191.05559	2.9
193.05057	1.5
195.05058	0.8
195.06621	0.7
197.04530	0.8
200.55608	0.5
209.03044	6.7
209.11932	0.5
221.04761	0.5
226.02701	0.5
227.03500	4.2
228.04329	2.4
229.05101	8.5
230.05211	0.6
235.06151	0.6
241.05025	1.0
242.05891	10.4
243.06619	9.4
244.07446	8.2
245.07683	0.6
256.07443	0.5
257.08200	20.1
258.05365	1.9
258.08881	5.3
259.06064	0.6
259.07065	0.5
259.09763	3.8
267.06473	0.6
269.04636	4.4
269.07407	0.9
271.09799	0.7
272.06909	0.7
273.07599	1.5
273.11057	0.4
280.07748	0.4
283.06137	1.0
284.06961	3.0
287.09238	1.3
295.60144	0.5
298.08578	1.1
299.09177	3.0
315.09052	0.5
315.12350	0.7
317.10303	10.1
331.11884	9.7
332.12491	0.5
341.06168	1.0
341.10321	13.7
341.14267	1.0
342.10547	1.4
345.09854	1.3
353.09015	0.6
359.07629	0.5
359.11404	5.9
371.07626	6.3
371.11591	0.9
371.20703	3.6
389.07251	4.1
389.12537	2.2
389.21851	4.7
509.95908	0.5
551.14178	2.0
551.27124	66.7
552.27563	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	551.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38381	0.4
56.11316	0.4
59.01387	12.3
61.98835	1.5
69.03423	0.4
69.32714	2.9
69.33124	0.5
71.01398	3.7
73.02951	0.6
79.95744	0.8
80.96523	0.4
85.02959	0.9
87.00883	0.5
89.02463	3.0
96.96022	1.6
101.02460	3.6
113.02482	2.2
118.95399	0.4
119.03502	0.9
120.17136	0.4
133.05077	0.4
143.03543	0.3
157.05090	0.5
161.04555	1.6
164.07619	0.3
191.05434	0.5
203.46259	0.3
235.08281	2.0
238.81544	0.4
253.06647	0.8
253.09302	15.5
254.09625	0.4
255.23317	100.0
256.23660	4.7
293.33981	0.4
394.01849	0.4
420.79886	0.4
524.78687	0.4
551.30402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.2
59.01383	14.3
61.98825	2.4
67.66740	0.7
68.92125	0.7
71.01382	2.9
76.07726	0.6
79.95699	0.9
80.96528	0.8
89.02452	1.9
96.41264	0.7
96.96035	2.6
100.39014	0.7
101.02442	2.9
113.02470	1.4
142.88112	0.8
161.04550	1.2
173.04533	0.9
235.08231	1.6
253.09311	12.0
255.23311	100.0
256.23624	4.8
290.57346	0.7
471.83304	0.8
524.70685	0.8
551.30524	3.5
560.19830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.4
57.03455	89.7
58.00598	1.8
58.61747	0.8
59.01387	79.0
60.01721	1.1
61.98839	14.2
64.46759	0.9
69.03461	1.3
69.66606	5.3
71.01390	44.2
72.99313	3.5
73.02958	17.4
74.02483	100.0
75.00867	4.4
78.95869	0.9
81.03455	4.1
83.01404	7.0
83.05026	1.1
85.02959	16.8
86.00096	1.2
86.02476	1.6
86.03320	1.0
87.00883	3.2
88.98786	0.9
89.02457	17.9
90.02840	1.0
92.05115	1.0
93.03484	3.8
95.01402	3.8
96.96011	10.7
97.02975	2.8
98.19947	1.9
99.00922	5.1
99.04530	73.1
101.02454	37.5
108.02187	2.4
109.03013	1.3
111.00906	1.4
113.02462	24.1
119.01385	1.4
119.03506	6.5
120.01273	1.0
120.05397	1.0
120.93089	1.0
121.02963	3.9
122.06158	3.0
125.02457	36.6
129.01979	1.3
131.03477	1.2
133.02951	1.4
134.03770	1.4
135.04541	5.4
136.04021	1.1
136.04922	1.0
137.02473	2.1
142.06676	2.5
143.03535	4.1
145.03003	1.2
147.00919	2.1
148.68178	0.9
149.02455	6.8
149.04546	1.0
152.01221	1.1
152.07196	4.6
159.03029	1.0
160.07727	5.8
161.02457	5.3
161.04552	6.0
162.02841	1.9
163.04120	2.1
164.03593	1.5
164.04790	6.6
165.05618	1.0
173.04570	3.5
175.00389	12.3
179.03493	3.3
179.05711	1.7
179.07108	1.7
190.02734	29.4
191.03456	1.1
191.05719	2.4
193.05122	1.0
203.12881	2.1
205.05067	28.3
208.03833	0.9
209.04689	1.0
223.06137	9.2
225.10323	3.0
267.11432	1.7
304.11938	29.4
305.12344	1.3
315.25323	1.3
322.12976	15.7
337.09952	1.1
346.12994	19.9
347.17145	1.2
349.18723	3.2
350.18973	1.6
352.53400	1.0
364.14035	31.1
365.14639	1.3
390.18155	1.1
396.29379	1.2
406.15067	5.4
432.19385	1.6
473.07788	1.0
476.18597	2.8
477.30853	4.9
493.27029	1.7
494.26971	1.5
508.20605	3.0
508.28491	2.1
516.14752	1.2
516.31824	22.2
520.17328	2.5
535.22302	1.2
551.31079	10.2
552.25189	3.1
552.33942	77.4
553.23138	25.9
553.33740	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	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23413	0.2
57.00635	0.2
59.01379	1.3
59.70783	0.2
61.98838	1.0
69.83224	1.2
71.01372	0.2
75.81728	0.2
78.95915	6.5
96.96012	0.4
105.66494	0.2
116.01841	0.2
130.78792	0.2
152.99559	0.9
168.04308	1.8
178.98830	0.2
197.14378	0.2
224.06955	0.8
233.22797	0.5
242.07985	3.5
244.74443	0.2
259.20724	0.4
265.16437	0.3
275.20108	0.3
277.21735	100.0
278.22058	4.8
351.94928	0.2
502.29428	34.8
503.29828	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07524	0.4
52.44498	0.4
54.19456	0.4
59.01374	2.1
61.98838	2.3
62.96404	0.4
71.01413	0.5
71.20408	0.5
71.20743	0.4
78.95915	28.1
79.95756	0.6
80.96535	0.5
81.41965	0.4
91.26129	0.4
96.96011	0.8
104.97463	0.3
116.00719	0.4
134.98567	0.4
137.76883	0.4
150.61853	0.5
152.99568	4.0
161.98828	0.4
168.04301	4.1
224.06961	11.3
233.22745	0.6
242.08049	2.6
253.21786	1.7
259.20731	0.5
277.21750	100.0
278.22113	4.2
502.29449	79.9
503.29819	5.0
552.25385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46243	1.1
57.03443	1.9
58.74976	1.2
59.01379	15.5
65.03967	1.8
66.80885	1.0
69.21922	1.2
69.25224	2.3
69.25638	8.8
71.01392	14.0
72.99306	3.2
73.02939	3.6
74.99085	1.3
75.00893	2.0
83.01316	1.3
85.02949	7.3
87.00888	1.9
87.04520	2.1
89.02458	9.6
93.03465	70.8
94.03817	1.8
95.01370	1.4
96.96009	2.0
101.02451	8.7
109.02951	2.3
113.02453	5.1
119.03483	4.3
121.02959	3.8
123.00912	1.7
123.04584	1.4
125.02441	1.9
134.03719	2.5
135.04504	2.9
136.01715	2.1
137.02455	100.0
138.02805	2.3
143.88405	1.4
149.06068	2.2
150.03172	1.4
151.04005	2.4
152.01172	1.3
153.01962	1.4
153.05560	3.2
161.04575	1.8
163.03966	3.7
165.01816	1.9
165.05672	1.8
166.02745	3.7
173.04578	1.9
178.02675	2.8
179.05586	3.6
181.05066	6.8
183.02933	1.7
191.05653	3.7
193.05058	7.4
197.04514	4.3
208.03978	1.5
211.06241	5.9
223.06064	2.3
239.05670	1.3
327.07211	1.8
341.08777	5.7
373.26157	1.4
379.19476	2.7
391.27258	1.5
490.63556	1.4
493.23096	2.1
519.53412	1.3
523.14532	2.6
535.14685	2.1
553.15277	2.9
553.22913	7.1
553.31836	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	553.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93567	2.6
57.03452	6.7
59.01385	100.0
61.98819	8.3
63.96234	6.5
70.78634	2.5
71.01386	75.6
71.10967	4.3
71.11314	4.7
72.99323	7.3
73.02955	6.0
74.02450	3.1
74.99090	4.0
83.01389	3.9
84.00693	2.4
85.02969	32.4
87.00877	9.0
88.04079	4.5
89.02458	67.3
93.03452	6.3
95.01384	6.9
96.96008	4.5
101.02451	43.1
107.15702	2.9
109.02928	3.7
113.02464	37.7
117.97332	2.7
119.03513	34.4
121.02902	3.1
129.01926	3.1
131.03534	3.8
134.03740	6.3
135.04550	5.5
135.98375	10.9
137.02449	5.2
143.03496	7.6
147.32281	3.1
151.04028	5.4
152.01199	5.4
161.04575	10.6
167.03519	5.2
171.76244	3.0
172.07042	2.8
173.04547	9.3
179.05618	25.5
191.01994	3.5
191.05614	13.6
193.05005	6.8
205.05032	5.5
223.06042	5.9
235.06064	7.7
265.07104	6.9
295.08154	6.0
325.09323	2.9
329.63480	3.0
341.08450	2.9
355.10266	6.7
384.92874	3.1
385.11383	3.0
470.50049	3.2
493.23120	42.8
494.23398	3.4
553.23737	12.7
553.31738	5.2
554.32605	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.3
59.14701	0.5
61.98837	2.8
63.96255	1.2
69.03464	0.7
70.20273	0.5
71.01391	6.5
71.56004	0.8
72.01688	0.5
73.02953	1.6
78.95931	0.9
78.98602	5.0
79.95745	9.4
80.96526	63.4
81.03443	0.9
82.52186	0.6
83.17991	0.5
85.02953	3.2
87.00882	2.5
94.98094	13.4
96.96005	3.5
97.02939	1.7
101.02440	2.1
106.98103	2.9
111.39772	0.6
113.02461	0.7
122.25251	0.6
122.97593	2.9
125.02488	3.2
134.97635	3.8
136.99176	1.4
148.99158	5.4
152.98637	4.7
164.98648	12.2
172.82988	0.6
179.87308	0.5
206.99698	2.1
225.00764	12.6
244.98540	0.6
253.21771	2.3
291.64194	0.6
299.04434	2.5
441.90411	0.7
553.26892	100.0
554.27148	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	553.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
62.51542	0.5
67.01900	1.0
69.03114	1.1
69.03461	10.3
69.22196	6.1
71.01389	1.9
71.05013	3.4
73.02959	0.7
82.94241	0.5
83.05027	1.2
97.02946	0.8
97.06596	1.4
99.00891	0.9
103.95937	0.6
104.11248	0.6
108.02222	0.7
112.90181	0.6
123.08155	3.2
125.09735	4.1
130.78778	0.6
137.09746	1.1
137.36137	0.6
149.09729	1.2
151.11292	6.4
153.12874	1.9
161.09732	12.9
179.10789	41.0
180.11182	1.3
197.11844	95.0
198.12196	2.9
223.09778	5.4
237.22223	0.8
241.10828	15.7
242.11169	0.6
255.23311	100.0
256.23566	3.7
259.27756	0.6
297.13440	9.6
315.14505	20.0
316.14771	0.8
330.93304	0.6
413.46991	0.7
497.28424	0.8
553.37506	91.7
554.37750	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	554.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.98837	100.0
69.03467	8.2
71.01405	1.4
71.51804	1.0
74.66676	0.8
78.94808	0.8
78.95923	1.1
79.01905	2.9
85.02946	1.2
85.59312	0.8
87.00887	1.1
95.01391	2.1
96.96001	1.7
97.02957	4.1
107.01401	8.3
108.02184	15.0
120.73946	0.8
123.00874	2.6
125.02457	7.5
135.00908	31.0
151.00273	1.2
152.01167	46.9
153.01515	1.1
168.03746	0.8
173.04573	1.0
191.05597	1.4
243.06635	85.3
244.06934	3.2
245.38762	0.8
302.29166	0.8
367.69519	0.8
387.10492	1.6
516.32642	0.8
553.32178	0.9
554.28412	1.0
555.43329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57914	0.2
56.58852	0.2
59.01392	1.0
61.98838	100.0
69.41904	0.3
69.42316	0.9
71.01392	1.0
73.02959	0.3
81.84177	0.1
83.01405	0.2
85.02996	0.4
87.00930	0.3
89.02444	0.5
93.03489	0.3
101.02473	0.5
108.34189	0.2
113.02478	0.4
118.98183	0.2
119.03522	0.2
121.02979	0.2
135.04520	0.2
137.02452	0.4
166.05052	0.3
173.04561	0.2
191.05664	0.3
198.78438	0.2
210.48186	0.2
226.02759	0.4
227.03596	0.3
243.03044	0.3
270.01770	0.3
271.02435	0.8
285.04074	0.9
299.02094	0.7
313.03589	1.6
314.04477	0.4
327.05377	0.2
328.05844	0.3
329.06482	0.3
342.10815	0.2
343.04684	0.2
391.27310	0.2
461.07291	1.0
476.09558	1.0
491.11978	6.6
492.12778	0.3
553.32532	1.6
554.33051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.5
61.98839	2.2
71.01382	0.4
71.55335	0.5
78.95912	16.9
79.71863	0.3
85.02974	0.5
89.02483	0.4
92.02557	1.0
96.96030	3.0
96.96979	3.0
107.03651	5.9
109.02985	0.3
121.03044	0.3
125.03585	9.5
134.04742	100.0
135.04308	0.6
135.05135	1.1
144.04559	1.4
152.99565	0.3
176.99606	1.3
179.03468	0.3
180.04100	0.4
188.03488	0.6
191.05690	0.5
195.00650	7.5
195.06610	0.8
275.03412	0.5
293.04324	0.9
321.04929	2.1
357.11975	0.5
419.08578	5.5
428.09836	0.9
554.14093	15.8
555.14587	0.9
579.93506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98819	1.8
71.26831	0.9
74.64070	0.4
78.95916	23.7
79.95748	0.4
80.96535	2.2
81.30249	0.5
85.02954	0.8
96.96022	0.5
96.96964	0.5
120.51881	0.5
152.99612	3.2
159.44221	0.5
168.04289	3.6
199.61790	0.5
211.20071	0.5
224.06941	8.8
242.08063	2.5
277.21970	0.5
279.23315	100.0
280.23682	5.3
377.19690	0.5
426.24707	0.5
463.40366	0.5
492.45505	0.5
504.31027	67.1
505.31451	4.9
524.35522	0.4
545.27014	0.8
554.27045	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	554.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55621	0.2
59.01390	0.8
59.40768	0.3
61.98833	1.0
68.83362	0.2
71.01390	0.3
78.95916	6.6
80.96509	0.4
85.02961	0.2
96.96001	0.5
97.06643	0.2
98.58626	0.2
102.38315	0.2
146.35239	0.2
152.99603	0.9
168.04330	1.7
186.94212	0.2
224.06972	0.7
242.07985	2.5
277.21747	1.1
279.23315	100.0
280.23660	4.7
504.31018	29.9
505.31375	2.0
554.27417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92258	0.2
52.76901	0.2
57.73517	0.2
59.01389	22.3
61.98839	0.4
62.69654	0.2
62.92887	0.2
71.28152	0.6
73.21150	0.3
78.95917	18.2
78.98594	0.3
79.95763	0.5
80.96532	2.7
85.38390	0.3
87.00880	0.3
94.98079	0.4
96.96980	0.3
136.66316	0.3
136.99118	0.2
145.52618	0.3
152.98645	0.3
152.99625	2.4
164.98701	0.4
168.04329	3.6
224.06935	7.7
225.00830	0.3
242.08015	1.5
255.23332	100.0
256.23663	4.3
284.55243	0.3
480.30997	62.9
481.31351	4.6
554.27209	4.1
555.26984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88985	0.7
52.80803	0.7
53.77708	0.7
55.76438	0.7
59.01386	16.4
59.89337	0.7
61.98850	3.6
68.99586	0.9
71.01384	1.6
71.55351	1.1
71.55705	1.0
74.17621	0.7
74.81878	0.7
78.95921	4.3
79.95727	1.6
80.96531	9.5
85.02946	2.0
94.98104	3.0
96.96038	2.1
101.02377	0.9
108.22119	0.7
112.98591	1.7
115.48611	0.8
117.64232	0.7
121.70360	0.6
122.25559	0.7
152.99646	1.1
164.98634	1.9
168.04352	1.2
207.74461	0.8
224.06766	1.0
225.00598	1.6
242.07990	2.9
255.23315	100.0
256.23697	4.7
271.43408	0.9
279.23343	1.2
293.25027	0.8
387.77057	0.8
431.73694	1.1
480.31021	31.2
480.37976	1.7
481.31512	1.8
554.26965	19.9
555.26324	1.7
560.98767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26167	0.6
55.01878	0.7
56.83314	0.6
59.01389	10.6
61.98834	0.7
67.67367	0.7
69.82134	3.7
71.01392	7.4
73.02960	1.3
75.00891	1.5
80.86548	0.6
83.01413	0.7
85.02984	3.7
86.95309	0.7
87.00895	1.2
89.02448	7.1
90.42292	0.6
93.03484	1.5
96.96008	1.4
98.19956	1.1
101.02457	5.6
111.00854	0.8
113.02430	2.5
115.88117	0.7
116.92904	0.7
119.01379	1.5
119.03524	1.8
121.02967	2.9
122.03784	1.1
123.00899	1.1
134.03763	1.7
135.04515	2.2
137.02486	1.7
147.00903	0.9
149.01309	1.1
149.02466	15.2
150.03250	10.0
151.06145	3.8
152.01120	1.1
153.01974	0.7
153.05536	2.0
160.01648	1.0
162.03204	1.1
163.04059	1.9
164.04819	17.6
165.05592	18.3
166.05948	0.7
168.00577	0.8
173.04703	1.1
174.99030	1.0
175.00400	12.7
175.04021	2.6
179.07118	2.8
180.04207	1.0
181.01443	1.4
182.02219	1.8
190.02754	41.7
191.03308	2.5
191.05600	1.7
193.05190	1.6
195.06726	1.0
197.04543	4.6
202.52255	0.7
203.07237	0.9
205.05086	46.9
206.05750	3.6
208.03813	2.3
209.04553	1.0
221.08269	5.1
223.06148	26.1
237.07689	1.6
250.04919	0.8
265.07196	11.6
266.07700	0.8
295.08157	1.6
313.11133	0.8
325.09320	2.4
326.06573	1.1
341.08813	12.7
385.11139	1.2
517.16150	1.4
519.17242	100.0
520.17389	7.0
554.32086	0.9
555.17139	7.0
555.30670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.9
59.01393	4.7
61.81075	0.7
65.00367	0.9
65.12430	0.7
67.01897	0.8
71.01391	6.4
71.56524	1.3
73.02951	1.7
75.00861	1.6
85.02971	4.0
87.00909	0.9
89.02449	1.3
93.03471	3.4
95.01402	2.1
96.96024	1.3
97.02966	0.8
99.00870	1.1
101.02458	3.5
107.01420	0.8
109.02974	1.6
111.00910	0.7
113.02458	3.0
121.02962	9.8
122.03765	7.5
123.00883	5.2
123.04541	1.3
124.01673	1.1
124.14979	0.7
125.02479	2.3
127.00377	1.5
133.02960	1.7
134.03740	2.4
135.04524	1.2
136.01698	1.4
137.02466	8.3
138.03247	3.3
139.00388	2.5
139.04021	1.9
140.98300	0.6
149.02429	3.4
150.03244	57.5
151.03571	1.7
153.01967	1.8
153.05591	10.4
155.03528	1.6
160.01775	0.9
161.02512	0.8
163.04089	1.5
164.04814	2.2
165.05589	100.0
166.02736	0.9
166.05954	2.7
166.99910	3.6
168.00682	1.8
173.04585	1.2
175.04053	1.1
180.04323	2.3
181.01480	6.1
182.02254	8.3
183.02963	4.1
190.02780	2.7
191.05714	1.7
193.05081	1.5
195.06697	1.1
196.03951	1.3
197.04555	22.0
198.04866	0.9
205.05174	2.4
213.07753	1.3
223.06213	1.4
225.04056	1.1
235.06158	0.9
326.06439	6.0
327.07239	1.1
341.08777	75.3
342.09229	3.0
517.15784	2.3
519.17255	4.6
534.96338	0.8
555.17297	30.5
555.31281	1.6
556.17804	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	555.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01385	71.3
61.98839	25.0
65.72849	1.9
68.66737	2.7
69.20303	18.3
71.01389	14.9
78.95930	3.4
81.03456	5.2
83.01401	2.4
85.02963	7.0
89.02443	6.9
93.03448	4.8
96.96021	11.0
98.19907	3.5
98.95612	2.2
99.04530	96.7
101.02448	17.7
109.02945	1.9
113.02473	6.0
116.92837	3.0
118.20982	2.1
119.03475	3.3
121.02977	2.5
122.06184	2.0
125.02458	44.5
135.04500	5.5
137.02434	4.3
141.57645	2.0
143.03439	2.5
148.05322	73.3
152.99596	2.2
153.59897	1.7
161.02443	1.9
161.04593	3.3
163.03928	3.3
163.07663	70.3
164.07904	2.3
170.27979	1.8
171.10170	2.1
173.04546	7.0
176.03520	7.2
190.02740	3.1
191.05531	3.8
194.31845	1.7
197.47699	2.1
227.13011	1.9
282.82645	1.9
327.21695	6.0
373.01996	2.2
392.47049	2.0
519.31909	15.1
555.29657	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	555.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.03789	0.8
59.01389	30.5
59.18026	0.7
61.98832	3.3
69.92710	3.8
71.01384	2.3
81.03455	2.0
81.07745	0.7
85.02953	1.8
89.02451	1.6
96.96014	1.0
99.04530	89.7
100.04870	1.2
101.02461	14.2
113.02469	0.8
119.05061	0.9
125.02466	41.3
126.02854	0.8
143.03494	1.1
148.05321	89.9
149.05586	1.8
163.07666	89.7
164.07961	2.3
165.05511	0.9
176.03378	0.8
190.02647	1.3
191.05641	0.9
200.43588	0.8
205.04987	1.0
244.77777	0.9
263.52161	0.7
304.98294	0.9
360.01529	0.8
519.32037	2.4
555.29944	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	555.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06454	0.9
57.03474	1.0
59.01361	0.9
60.78225	0.8
61.98845	2.2
65.96926	0.8
69.23219	0.9
70.96442	1.6
71.01398	1.8
71.05021	3.7
86.68997	0.8
96.96025	1.1
97.02946	2.6
97.06609	2.6
99.00896	17.3
109.06563	1.6
121.61723	0.9
123.08183	1.6
125.09740	10.3
127.11287	1.3
155.14455	1.1
161.09727	1.0
163.11328	8.7
181.12344	17.4
197.11861	1.9
199.13409	37.1
207.10272	28.5
225.11328	66.8
226.11711	2.6
243.12354	12.8
255.23318	86.6
256.23669	3.3
299.14905	5.2
317.12598	0.7
317.16049	18.3
386.03177	1.0
555.39038	100.0
556.39386	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	557.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
59.01392	8.4
61.98582	0.7
61.98839	9.4
67.01900	1.9
69.04992	0.7
69.31133	5.3
69.58131	0.8
71.01407	5.4
73.02946	2.4
81.03448	1.0
83.01386	3.0
83.05025	1.1
85.02965	4.0
85.46944	0.7
85.79773	0.7
87.00869	2.1
87.05520	0.8
89.02457	4.3
93.03486	7.6
95.01381	1.8
95.05000	1.1
96.96022	2.8
97.02947	1.5
97.74194	0.8
99.04536	0.9
101.02444	3.4
107.01345	0.8
108.38168	0.8
109.02943	2.9
111.00897	1.2
111.04487	1.0
113.02444	2.1
117.03488	5.6
119.03503	1.0
119.05029	2.1
121.02954	3.6
123.04495	1.6
125.02441	3.9
133.02890	1.1
134.03711	1.2
135.04530	4.3
137.02477	6.8
143.05058	0.9
145.02939	1.4
147.04501	1.6
149.02414	4.7
151.00427	0.9
151.03964	1.0
151.07596	1.0
152.99574	0.7
155.03487	1.3
157.06602	1.0
159.04510	1.3
159.08078	0.9
161.02417	4.4
161.04562	2.7
161.06059	2.3
163.04030	3.0
165.01978	3.5
165.05586	1.2
167.03555	0.9
173.02455	0.9
173.04596	7.0
175.00354	2.1
175.04007	1.8
175.07579	0.9
176.01070	0.9
177.01927	1.8
179.03519	2.3
185.06134	1.0
187.07608	1.1
189.01889	2.2
189.05554	2.3
190.02710	3.1
190.17615	0.8
190.99834	1.1
191.03494	2.6
191.05603	2.0
193.01378	1.2
201.05597	1.2
203.03497	3.0
203.07133	2.7
205.01344	2.2
205.05104	4.2
206.02225	0.9
207.03078	1.5
215.07227	0.8
217.04997	2.3
218.02171	0.8
219.06592	2.7
227.06915	1.0
229.05072	1.7
231.02983	2.0
231.06615	2.6
233.04564	6.9
243.06816	0.9
245.04518	3.1
246.05344	1.8
247.06145	9.3
253.05157	1.2
259.06097	2.4
265.04858	1.4
269.04474	3.3
275.05652	73.2
276.05966	2.4
277.07236	1.0
281.04660	4.2
282.05237	2.2
283.06155	13.0
284.06442	1.4
287.05704	6.0
289.07233	2.1
293.04578	1.1
295.06036	3.3
297.07733	0.8
299.05585	2.5
305.06705	29.7
306.07092	0.8
307.06113	1.1
309.04105	2.9
311.05688	15.2
314.04309	2.9
317.06717	11.2
319.08112	1.1
321.07837	1.0
322.05161	1.3
323.05701	3.9
329.06818	1.7
337.03726	1.2
339.04932	0.9
341.06622	6.8
343.04468	1.7
347.07706	4.8
349.07324	1.2
351.05087	2.3
351.13016	2.1
353.10672	0.9
368.05875	0.9
369.06232	1.1
377.08701	1.1
381.05917	1.1
383.07700	2.8
393.09930	2.1
395.09894	31.6
395.20660	1.8
396.09998	2.5
419.08490	0.9
431.04340	0.9
431.09784	2.9
437.09430	10.5
463.08929	3.0
467.09836	3.4
471.09540	1.3
487.08768	1.1
529.13654	1.2
539.11835	3.5
557.12976	100.0
558.13397	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	557.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01386	8.8
61.98821	0.8
62.90401	0.6
67.01894	1.0
71.01390	8.0
75.00859	1.0
78.91887	0.6
79.95780	0.6
85.02956	2.5
87.00871	0.7
88.98813	0.5
89.02459	10.9
93.03471	5.2
96.96024	8.7
98.24924	0.4
101.02441	3.1
108.02164	1.1
109.02962	0.5
111.04535	1.0
113.02454	3.1
118.35795	0.5
119.03520	3.9
121.02970	100.0
122.03316	1.8
123.00878	0.4
126.02631	0.5
131.03497	0.5
135.03505	0.7
135.04539	12.9
137.02481	1.4
143.03551	0.8
149.04633	0.9
150.03217	0.4
151.03964	0.5
154.35452	0.4
155.03583	0.9
159.04509	0.9
160.05319	1.6
161.02458	1.4
161.04597	2.1
164.04817	0.7
173.04578	10.3
179.03516	15.4
179.05617	7.1
179.07120	1.1
181.05115	0.6
191.05670	3.9
195.06639	0.6
204.04289	10.0
219.06659	7.7
248.08461	1.0
263.07101	0.9
264.07904	1.7
279.10321	1.9
323.09277	1.1
341.10318	7.7
353.08792	0.4
371.16354	0.5
383.09915	7.7
395.12976	0.5
555.45111	0.5
557.15747	3.0
557.27338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2605
Annotation	3beta-Hydroxysolanascone beta-sophoroside
Peak:m/z	Relative Intensity
55.01876	1.4
57.03456	1.2
58.00590	1.9
59.01385	100.0
60.01725	0.9
61.98823	2.3
69.03452	3.4
71.01386	41.0
71.56017	1.5
72.99311	1.9
73.02953	5.1
81.03471	2.9
83.01389	2.7
85.02962	8.3
86.47063	1.0
87.00877	4.4
89.02451	48.3
95.01411	1.6
96.96011	2.3
97.02958	3.6
99.00875	1.8
101.02457	31.9
111.00877	1.9
113.02457	18.2
119.03519	27.2
121.02901	1.8
125.02460	23.4
131.03506	4.7
139.03981	1.4
143.03522	7.0
149.04562	2.9
161.04601	8.2
167.03455	1.6
169.12318	2.2
179.05609	16.8
197.11829	3.0
205.02409	0.8
209.11771	4.5
221.06612	16.6
221.08438	1.3
233.15466	82.7
234.15817	3.5
245.06638	2.5
251.99629	1.0
263.07727	5.9
287.67877	0.9
323.06287	1.5
323.09854	21.7
381.18774	1.1
508.01157	0.9
525.27234	4.5
526.28015	1.0
557.28589	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	559.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47978	1.8
53.88424	1.6
57.03456	79.9
59.01106	3.2
59.01386	49.0
61.13832	2.1
61.98845	9.0
67.01933	2.1
69.03465	10.1
71.01389	28.8
71.56489	2.9
72.99317	2.4
73.02951	8.4
74.02464	1.9
79.01889	5.6
79.95734	2.6
81.03460	5.4
83.01411	5.0
83.04987	2.2
85.02958	19.4
87.00885	5.4
89.02457	15.2
91.01916	2.4
93.03464	7.2
95.01392	3.4
95.05052	2.1
96.96021	50.1
97.02953	6.6
98.02408	1.8
98.95630	2.5
99.00880	4.0
99.04530	69.2
99.92577	10.3
101.01806	1.9
101.02455	31.3
105.03465	8.0
107.01392	13.4
108.02151	4.4
109.02961	4.0
111.00850	3.2
111.04526	4.6
113.02479	17.0
115.82797	1.6
115.92078	21.9
116.92873	75.5
117.92849	2.2
119.03529	4.7
119.05069	1.7
120.25037	2.0
120.93427	2.0
121.02943	4.3
123.00895	6.2
123.04534	11.4
125.02459	69.7
128.03491	1.7
131.03543	1.8
133.01982	1.1
133.02974	36.2
134.03734	3.8
135.00897	38.7
135.04526	8.4
137.02422	5.3
141.01903	1.9
143.03519	3.5
145.05060	10.5
147.04610	2.4
149.02422	8.3
151.00375	5.2
152.01144	3.7
155.03493	2.7
160.01715	2.4
161.02464	4.8
161.04585	7.3
163.04027	11.3
164.04787	7.7
165.05461	2.6
166.02716	34.5
167.03511	100.0
173.04567	12.5
177.01947	28.0
178.02701	1.8
178.06386	9.0
179.03439	3.7
191.03853	2.4
191.05620	14.6
192.04340	10.2
193.05034	23.5
193.08699	13.2
207.06580	10.7
208.91876	1.9
223.06090	13.9
294.05420	4.8
309.07657	4.3
311.07794	2.0
329.81891	1.8
353.09015	34.6
371.09818	8.8
385.09100	3.3
499.28604	2.1
515.15472	5.4
517.19324	3.3
559.14508	22.2
559.27094	9.2
560.15356	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	559.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59188	3.2
59.01384	17.4
59.29707	3.5
69.03461	7.7
69.92501	11.7
69.92908	8.3
71.01391	13.2
73.02968	4.3
75.00902	3.9
78.95916	5.4
79.95728	4.3
85.02948	5.9
87.00892	4.9
89.02463	6.1
93.03474	10.0
96.96021	50.2
101.02477	3.7
103.62562	3.6
109.02974	42.5
110.26300	4.4
111.00878	11.2
113.02441	4.4
121.02965	14.0
121.32088	3.5
133.02991	4.7
135.04533	100.0
137.02495	6.2
137.03575	8.4
149.06090	38.5
150.03156	4.3
151.04062	5.0
161.02484	7.2
161.06134	21.9
163.04080	4.1
164.04779	8.4
171.04492	4.4
173.04620	31.1
173.05960	6.5
174.03200	11.0
175.04037	9.0
177.05566	4.8
179.03473	10.0
185.03897	4.1
189.05602	60.0
191.03729	4.2
191.05624	10.9
193.01477	3.4
193.05157	4.2
207.06656	49.9
208.03816	8.5
219.06725	6.0
221.04523	9.9
223.06161	13.0
231.06638	10.3
235.06186	9.9
239.05576	11.6
249.07805	7.2
271.18933	4.3
353.12616	4.0
411.12979	11.7
443.11731	6.1
455.11996	24.2
479.06628	4.4
485.12964	6.7
491.70432	4.3
515.13800	4.3
559.16248	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	559.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29373	0.7
55.01871	0.8
57.03457	52.6
58.00599	1.7
58.03790	0.6
59.01387	100.0
60.86821	0.7
61.98841	12.6
63.37225	0.7
71.01392	32.2
71.03734	1.7
73.02960	5.3
81.03442	1.0
83.01398	1.7
85.02970	7.5
87.00909	1.7
89.02456	44.3
95.01421	0.8
96.96060	0.9
97.02983	1.0
99.00912	1.1
99.04532	51.9
101.02460	27.6
108.02216	1.0
109.03015	1.0
111.00877	0.8
113.02456	9.6
117.03470	0.9
119.03489	4.4
119.05026	1.6
125.01523	1.4
125.02464	27.8
126.02800	1.1
131.03531	10.5
135.04573	1.2
143.03548	3.1
145.02974	1.0
149.04579	29.2
161.04616	2.8
163.04030	3.5
173.04584	1.4
177.01939	0.8
179.05652	4.0
191.05641	6.6
213.05621	1.8
213.74852	0.8
233.06766	1.2
235.12096	0.7
241.05086	10.0
256.07410	5.7
271.09793	16.2
271.12668	1.1
272.10260	1.4
283.12009	1.7
293.08875	1.7
311.09976	1.1
397.14896	4.3
415.16150	31.9
416.16644	1.9
457.17093	6.9
559.20886	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	559.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.50906	0.5
59.01390	3.2
61.98830	0.7
63.96237	0.8
67.01900	0.9
69.03464	0.6
71.01391	7.5
71.22864	0.8
73.02963	1.8
78.95911	0.6
78.98599	4.5
79.95741	7.5
80.96524	54.2
81.03445	1.4
83.01411	0.9
83.04986	0.5
85.02948	3.4
87.00878	3.1
89.02481	1.3
93.03463	3.0
94.85545	0.4
94.96059	0.5
94.98100	12.1
95.01422	0.5
96.96031	1.3
97.02965	1.4
99.00890	0.5
99.04538	1.1
101.02465	3.2
103.40897	0.5
106.98090	3.2
109.02940	0.5
111.00905	2.9
111.04540	0.6
113.02454	1.3
114.67947	0.5
119.03571	0.6
119.05064	0.7
120.03790	0.5
121.02932	0.7
122.97596	3.8
123.04538	0.5
125.02473	3.1
127.04029	0.9
129.50505	0.5
134.03767	0.9
134.97581	3.4
135.04523	0.8
136.99118	1.1
137.02470	1.7
138.03191	0.5
143.36861	0.5
145.02963	1.7
148.99132	4.6
149.06114	1.2
152.98643	5.7
153.05614	0.6
155.03462	0.9
160.01714	0.5
161.04616	0.5
164.98640	10.0
165.45203	0.4
173.00897	0.9
173.04567	8.5
174.04858	0.6
175.03990	1.0
179.03525	0.8
182.99731	2.2
191.04019	0.5
191.05620	2.7
193.05072	1.1
206.99704	3.0
209.11867	2.8
210.47789	0.4
225.00768	18.7
243.01761	1.9
299.04492	2.5
385.09305	2.1
527.18140	2.2
542.21088	0.5
559.20703	100.0
560.21002	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	559.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24844	0.4
57.03456	4.6
59.01387	5.5
61.98840	1.1
63.96240	0.7
69.38986	3.3
70.96802	0.4
71.01388	8.9
72.99316	0.6
73.02973	2.3
78.98605	4.7
79.95750	9.0
80.96526	58.7
81.03457	0.6
83.01406	1.1
83.05047	0.5
85.02951	4.3
87.00894	2.8
89.02444	2.1
93.03465	1.1
94.97485	0.8
94.98096	14.2
94.98680	0.9
95.01412	0.7
96.96022	26.7
97.02969	1.7
99.00894	1.0
99.04528	4.3
101.02453	4.7
106.98108	2.8
109.02985	0.5
111.00899	0.9
113.02445	1.3
119.03497	1.2
122.97633	2.4
125.02460	5.1
127.04008	0.9
129.01959	0.6
134.03731	1.1
134.97620	4.3
135.04559	0.7
136.99197	1.3
139.35727	0.4
145.02974	0.6
148.99176	5.1
149.02527	0.8
149.06052	0.7
152.98650	5.4
160.01720	1.3
161.04582	0.6
163.04030	1.0
164.98625	10.6
173.04562	1.3
175.03973	1.3
178.06377	1.4
179.03627	0.5
179.05765	0.7
191.05684	2.5
193.05069	0.9
193.08701	0.6
205.51474	0.5
206.99721	2.2
209.11815	2.5
211.09787	3.0
225.00755	16.0
226.00986	0.6
299.04483	2.3
324.40829	0.5
527.18237	2.7
559.20721	100.0
560.21021	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46851	1.0
59.01387	18.6
61.98835	4.3
69.60886	7.6
71.01393	4.2
89.02460	2.7
96.34606	1.1
96.96025	3.0
101.02454	4.8
110.06152	1.1
112.66444	1.2
113.02511	1.4
123.54196	1.1
145.16806	1.2
233.17929	1.2
235.08289	2.6
253.09332	14.8
261.42606	1.1
262.75015	1.1
263.20163	100.0
264.20496	4.0
274.89172	1.2
383.40939	1.3
405.13379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03465	8.0
58.00591	3.3
59.01390	100.0
61.98837	4.1
68.63943	1.4
69.03445	1.6
71.01008	2.9
71.01392	53.3
72.99318	2.3
73.02955	13.6
81.03457	1.5
83.01408	4.8
83.05048	2.1
85.02967	22.3
87.00877	5.0
88.98824	1.3
89.01932	2.9
89.02459	41.0
93.03471	6.8
95.01398	5.2
96.96016	5.1
99.00909	3.4
99.04520	4.5
99.60043	1.5
101.02456	30.0
106.10931	1.6
109.02949	2.1
111.00916	2.6
113.02458	30.8
116.92865	1.6
119.03525	16.1
125.02428	3.2
131.03481	3.9
133.02963	4.2
134.03731	1.3
135.04570	4.3
143.03563	3.6
148.05341	3.5
149.04521	1.4
160.01614	2.6
161.02496	1.6
161.04579	13.4
163.07669	4.9
165.04031	5.8
166.05121	1.6
173.04559	8.8
175.04008	3.4
179.05640	9.0
191.05669	16.6
192.04308	2.7
193.05070	4.0
221.06546	1.9
355.11960	4.2
397.22192	3.0
499.22351	1.8
499.29233	23.9
517.30188	4.0
521.33228	3.0
523.22351	2.2
523.34998	13.4
524.28894	1.9
559.14642	4.9
559.32996	44.6
560.32678	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	561.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01393	6.0
61.71457	0.9
71.01389	10.4
71.55129	1.2
71.55523	1.1
72.16674	0.9
73.02962	1.9
75.00867	1.4
80.96516	5.0
82.95420	6.1
83.01418	1.0
85.02946	7.9
87.00887	1.2
89.02473	2.4
93.03468	23.7
96.96035	4.9
99.00895	1.3
101.02438	5.9
108.02213	1.7
111.00895	2.4
113.02470	4.6
119.05004	0.9
121.02929	2.3
123.04525	1.8
129.01886	1.0
134.03741	1.7
135.04575	1.2
136.01653	1.9
137.02460	52.4
139.33369	1.0
149.02437	1.6
151.04022	1.7
152.01202	0.9
153.01955	2.1
160.01622	1.4
161.02426	1.5
163.04002	2.1
165.01935	30.4
168.04167	1.1
173.04614	3.7
175.03990	1.8
179.03557	2.3
179.05682	1.1
180.04297	27.2
180.29691	1.0
183.06653	2.4
190.02719	1.0
191.05646	6.5
193.05121	2.2
195.06638	50.7
196.06931	1.9
205.05078	1.7
207.06761	1.2
210.05266	1.1
225.00748	1.6
281.06696	46.7
282.07022	1.5
292.01846	1.1
306.63470	0.9
387.10794	3.8
432.61734	1.1
501.16028	1.3
525.16174	100.0
526.16663	8.2
543.17621	2.0
561.18463	7.1
562.18494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60431	1.1
57.03458	5.7
57.03697	1.1
58.00568	3.6
59.01387	53.6
61.98592	1.1
61.98834	13.0
71.01396	23.0
71.56326	2.1
72.99299	3.9
73.02956	7.0
77.03970	1.1
79.95721	5.0
80.96523	15.0
83.01379	2.3
83.05003	2.0
85.02504	1.6
85.02952	13.5
87.00856	3.8
89.02451	17.3
93.03474	10.8
94.98064	3.1
95.01399	2.3
95.42840	1.1
96.96021	7.4
99.00857	3.1
99.04484	2.5
101.02457	16.7
103.03983	3.3
108.02141	3.5
109.02920	2.3
111.00855	3.8
113.02466	7.2
117.03475	9.2
119.03519	7.9
123.00920	1.4
123.04507	1.6
125.02423	4.8
131.01338	2.0
133.02939	2.2
134.03690	2.7
135.04501	4.5
137.02470	13.0
141.09140	1.4
143.03503	1.9
144.04524	4.1
145.04897	2.4
149.02405	4.7
149.04504	1.3
149.06064	1.2
150.03152	1.8
151.03967	1.4
152.98581	2.1
155.03516	1.2
161.02397	5.2
161.04549	2.6
163.00372	2.5
163.03973	2.5
164.04755	2.4
164.98564	3.4
165.61134	1.2
173.02365	2.0
173.04588	7.3
173.05788	1.5
174.11967	1.1
175.00313	4.6
175.03955	3.1
177.01897	3.9
178.01245	1.5
178.02734	28.6
179.03336	4.1
179.05580	2.1
179.07109	2.2
185.02368	1.6
188.03452	2.8
190.02623	5.4
190.04166	1.1
191.05615	9.1
193.05093	30.7
194.05347	1.7
205.05000	3.9
211.13390	1.8
223.05946	2.9
225.00653	4.3
237.05484	1.4
253.04944	2.3
253.09093	1.7
254.05827	1.7
265.04996	2.7
266.05624	1.9
267.12149	1.5
268.03583	2.5
269.04660	9.8
270.04837	1.2
281.04581	17.0
282.05359	57.9
283.05939	9.4
285.04071	1.3
293.01401	2.2
293.04575	42.4
294.04886	3.3
295.06079	8.7
298.04807	1.8
307.05975	2.0
309.04071	2.4
310.04614	3.2
311.05676	16.5
314.04230	5.2
321.04099	1.6
322.04428	2.2
323.05652	12.6
325.14371	1.9
335.05286	3.4
337.03500	2.6
339.04950	1.3
341.06808	7.9
343.15323	4.5
353.06494	2.6
355.10101	4.9
367.10168	1.5
369.05838	1.4
397.09259	46.0
398.09500	2.5
457.11395	19.7
487.11984	1.7
501.30228	3.8
525.29156	2.2
543.21204	10.9
561.15729	100.0
561.30139	5.3
562.16138	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	561.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.5
57.03455	47.3
58.00584	2.4
59.01387	100.0
61.98841	19.9
64.38023	1.2
67.01856	1.4
71.01392	28.0
71.15804	2.6
72.99288	3.5
73.02965	6.9
78.98595	1.1
79.95731	3.6
80.96529	9.0
81.03455	1.7
81.51069	1.3
83.01376	6.0
83.04996	1.7
85.02960	17.9
87.00851	2.8
89.01955	1.4
89.02457	21.0
89.56818	1.1
89.79028	1.2
93.03460	10.1
94.98080	1.5
95.01365	4.3
96.96024	16.4
99.00882	2.0
99.04528	53.1
100.04880	1.4
101.01814	1.5
101.02459	27.6
103.04008	1.9
108.02174	2.7
109.02934	2.2
111.00872	2.5
113.02487	12.6
117.03494	5.8
119.03515	8.4
119.05005	2.2
120.01217	1.3
121.02923	4.6
125.02473	19.5
128.03465	3.2
129.01883	2.2
133.02965	2.6
134.03735	2.7
135.04472	4.8
137.02449	6.0
141.09167	2.2
143.03450	3.2
143.04530	2.0
147.02992	1.5
149.02437	2.6
149.04498	2.1
149.06093	1.8
152.01099	2.0
161.02364	5.1
161.04503	5.4
161.05714	1.5
163.04047	2.1
164.04703	2.7
173.04562	15.7
174.04915	2.4
175.00272	3.6
175.03955	2.6
177.01863	3.2
178.02722	16.0
179.03423	2.2
179.05569	2.4
179.06969	1.4
189.05402	1.4
190.02626	3.0
191.01907	1.9
191.03825	1.5
191.05635	13.5
192.04256	1.4
193.05057	20.1
205.05043	3.2
225.00606	2.2
245.08028	1.7
253.04936	1.4
265.05078	1.3
266.05640	1.7
268.03510	2.6
269.04385	6.0
272.09085	1.4
281.04553	7.4
282.05347	33.6
283.06003	6.0
291.42999	1.3
293.01385	1.3
293.04572	25.2
294.05072	2.0
295.05917	2.9
296.06418	1.7
306.07654	2.7
311.05627	10.3
314.04178	4.0
323.05707	8.4
325.06918	1.7
325.14392	2.8
341.06763	5.9
343.15237	3.0
355.10297	2.5
367.10199	2.7
369.13336	2.8
373.18607	2.0
387.14557	2.0
397.09268	27.4
398.09332	2.0
415.10086	1.5
423.10608	1.8
457.11288	10.2
489.11743	4.2
490.12677	1.7
501.30014	5.0
519.31378	2.0
523.34387	3.9
525.28992	2.6
543.20752	4.6
560.32977	2.1
561.15759	58.7
561.31238	12.2
562.15985	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	561.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59633	0.3
55.01880	2.6
57.03450	2.8
58.00587	0.5
59.01386	15.9
61.98835	4.0
69.38858	2.0
69.39262	0.7
71.01389	7.9
72.99310	1.1
73.02953	1.3
79.95721	0.6
80.96532	1.1
82.57869	0.4
83.01395	50.4
84.01729	0.6
85.02956	8.8
87.00875	0.7
89.02451	7.3
93.03472	2.3
95.01382	0.4
96.96021	1.0
97.94685	0.3
99.00877	0.7
99.04527	1.0
101.02450	4.9
108.02194	0.7
109.02974	0.6
111.00908	0.6
113.02457	2.9
116.92882	0.4
117.03489	0.6
119.03518	2.8
121.02964	7.9
122.03754	11.2
123.04552	4.4
124.01662	0.6
125.02448	1.1
127.03948	0.3
129.01971	4.1
131.03523	0.7
134.03775	1.6
135.04572	1.7
136.01636	0.5
136.05313	2.9
137.02477	1.9
137.06105	8.4
143.03516	1.0
144.91922	0.4
145.06566	0.5
146.03653	0.5
147.03108	0.6
147.04533	3.4
149.06062	0.6
151.04059	0.6
153.01976	0.4
154.02739	0.7
159.04541	0.4
160.01686	0.5
161.02400	1.0
161.04614	0.9
161.06100	2.3
162.06874	1.4
168.04294	1.0
173.00969	1.0
173.04585	1.9
175.00400	0.6
175.03960	0.9
175.07613	0.5
178.02676	0.4
179.03470	0.8
179.05672	0.8
191.02026	0.7
191.05615	3.2
191.07103	0.8
193.05040	2.0
205.05028	0.8
209.08186	2.4
221.08215	4.4
269.04739	0.6
271.38986	0.3
281.04501	0.5
282.05423	0.5
283.06308	0.4
293.04581	5.2
298.12051	1.0
299.12552	0.4
311.05798	0.7
313.14471	1.3
323.05673	0.5
335.05505	0.4
341.06671	0.7
342.11087	5.5
343.11603	0.6
343.15616	0.5
357.13440	100.0
358.13782	6.7
362.49454	0.4
369.13531	0.4
387.15100	0.4
397.09308	3.9
401.44138	0.4
417.15848	0.6
457.11398	0.5
501.17667	0.6
501.30627	1.0
519.31079	0.4
523.34741	0.7
543.21619	0.5
560.21985	0.4
561.15710	10.6
561.30646	2.3
562.16486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.8
57.03160	1.7
57.03455	66.7
59.01386	70.6
61.98836	3.2
67.01892	5.7
69.03441	1.8
69.33481	3.3
69.33902	6.5
71.01387	13.6
72.99315	1.5
73.02966	5.4
80.96508	2.7
81.03464	2.7
83.01398	3.9
83.05011	1.7
85.02960	17.1
87.00883	3.5
88.98833	1.4
89.02472	7.5
93.03471	35.6
95.05031	2.2
96.96027	22.1
99.04532	62.8
101.02457	17.0
105.03455	2.2
108.02160	2.5
109.02998	2.0
111.00916	5.4
111.04510	5.0
113.02438	5.5
117.03478	1.2
119.03520	2.6
121.02953	2.4
123.04527	2.0
125.02460	21.6
129.01927	2.2
131.03452	1.7
133.02969	22.1
134.03783	6.0
135.04567	8.2
137.02484	11.7
139.00352	1.1
143.03511	1.3
149.02443	1.3
149.04570	1.1
149.06107	1.7
151.03990	2.1
152.01205	2.3
155.03531	5.5
159.04498	1.1
160.01610	1.3
161.02473	2.9
161.04590	4.2
163.04047	1.3
167.03506	2.6
173.04565	100.0
175.00371	1.5
175.03957	2.2
177.01927	17.1
178.02733	6.7
179.03522	4.2
190.02734	3.1
191.01878	1.7
191.05634	15.6
193.05089	11.3
204.04207	1.2
205.05127	3.8
209.08102	1.3
250.64726	1.0
311.07968	1.9
332.64417	1.2
351.07339	6.3
353.06848	1.5
367.10333	3.0
369.09598	2.3
383.07544	2.5
387.10660	4.6
399.23914	1.4
429.17694	1.4
457.11398	1.3
491.71423	1.3
543.21423	2.4
561.15381	19.3
561.23541	1.7
561.30060	2.8
562.16882	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	561.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43520	0.9
53.71886	0.9
57.03455	59.4
58.00613	1.5
59.01388	100.0
60.01705	1.2
61.98834	9.1
69.52004	4.9
69.52419	1.7
71.01388	22.7
72.99307	2.1
73.02966	5.5
76.41529	1.0
79.95753	1.5
80.96533	4.1
81.03450	1.8
83.01396	2.5
85.02953	11.6
87.00873	1.6
89.02452	17.7
93.03452	4.3
94.98103	1.3
95.01395	1.8
96.96009	11.4
99.00881	1.3
99.04533	54.0
99.05595	2.0
101.02458	24.3
109.02956	1.7
111.00867	1.9
111.04528	1.1
111.96718	0.8
112.23172	0.8
113.02453	12.1
117.03490	1.1
119.03519	8.1
119.05028	2.1
120.03525	0.9
125.02459	25.5
125.71258	0.9
128.03539	3.2
129.01945	1.4
131.01242	0.9
131.03607	0.9
133.02895	1.1
134.03731	3.1
135.04539	2.3
137.02467	1.8
143.03502	3.0
143.04631	3.5
146.58797	1.0
149.04599	1.5
149.06090	1.5
153.05605	1.3
160.00668	1.2
161.02425	1.8
161.04573	4.6
163.04085	1.3
164.98671	1.4
173.04546	6.1
175.04109	1.2
178.02716	3.8
179.03368	1.1
179.05649	2.8
190.02794	1.1
191.02086	1.2
191.05577	6.1
193.05035	5.1
205.05226	1.4
225.00632	1.4
259.32193	1.0
269.04465	1.6
272.08878	1.4
281.04608	2.0
282.05453	5.0
283.05917	1.2
287.09033	1.0
293.04529	4.3
306.07660	3.8
311.05490	1.7
323.05615	1.2
325.14392	1.4
341.06635	1.2
367.09860	1.1
373.18848	1.8
397.09381	4.1
423.10526	1.4
443.07510	1.1
457.11359	2.2
458.10043	1.5
489.11917	8.4
490.12518	1.9
501.30786	8.6
519.31396	2.7
523.22668	1.1
523.34912	1.6
524.28638	1.1
525.28931	2.8
543.21539	2.1
561.15094	9.2
561.32507	8.3
562.16058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26928	0.2
59.01383	0.9
61.98838	100.0
67.78428	0.2
69.30111	2.0
71.01395	0.7
74.12225	0.2
83.01421	0.2
83.12673	0.3
85.02975	0.8
85.40388	0.2
87.00874	0.3
96.96027	0.6
98.20618	0.4
99.00908	0.4
101.02475	0.3
109.02978	0.4
113.02472	0.6
115.00425	0.9
135.04539	0.4
136.77571	0.2
139.00452	0.3
147.04463	0.3
148.71283	0.2
149.06105	1.3
161.02458	1.8
167.88878	0.2
175.02536	2.0
175.03987	0.6
177.01988	0.9
184.44403	0.2
187.04047	0.3
189.05585	0.5
191.05646	0.4
193.04967	0.3
203.03537	0.3
219.03067	0.8
233.04622	0.7
237.04091	1.5
268.06161	1.2
275.05716	0.3
277.03638	0.6
293.06940	0.5
319.04578	0.3
337.05588	5.7
337.09091	0.4
455.12201	0.4
499.11014	11.5
500.11481	0.5
562.09485	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	563.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58294	0.4
57.03463	0.8
59.01386	2.8
61.11344	0.4
69.42187	1.3
69.42616	2.2
71.01383	1.7
73.02964	0.8
75.00888	0.5
76.39545	0.4
79.01895	0.6
83.01382	0.9
85.02959	5.6
87.00900	1.0
89.02445	0.5
91.05529	0.5
93.03443	2.4
95.01409	0.4
96.96019	8.4
109.02962	1.7
111.00926	1.1
117.03488	5.6
118.98085	0.4
119.05013	1.0
121.02956	0.7
125.02467	0.5
125.47231	0.4
129.01942	1.0
133.06642	0.5
135.04512	2.8
137.02458	1.0
146.03719	0.6
147.02979	0.4
147.04515	1.5
149.02435	0.9
153.01976	0.6
159.04512	1.5
161.02435	2.4
162.03284	0.4
163.03973	1.4
165.05653	0.5
173.00943	0.5
173.02371	0.5
173.04561	0.8
173.06061	0.9
175.04005	1.7
177.01920	0.7
177.05600	1.7
179.03473	0.7
189.02014	1.0
189.05608	0.6
190.02855	0.5
191.01991	2.6
191.03505	1.0
191.05638	1.6
199.03882	0.5
201.05676	0.8
203.03667	0.9
205.05084	1.0
209.03030	1.8
217.05122	2.0
221.04483	0.6
224.08339	0.7
233.04564	1.1
245.04535	0.6
246.03882	0.4
251.07169	0.7
253.05101	0.5
253.08510	1.0
254.31445	0.4
265.05060	0.4
267.06705	1.5
268.07294	1.7
279.06454	0.5
281.04492	0.8
282.05298	2.5
283.06113	3.3
283.09363	0.7
287.40936	0.4
295.06165	5.3
296.06781	3.2
297.07678	20.9
298.08057	1.2
299.63275	0.4
307.06171	2.3
309.07672	2.6
311.05542	2.7
321.03986	0.5
321.07556	0.6
323.05634	4.1
324.06216	1.4
325.07187	10.3
328.05905	4.1
335.05502	1.6
337.07224	3.4
351.05176	1.0
353.06674	42.3
354.07065	2.6
355.08139	1.6
356.05499	1.4
365.06586	6.4
381.06223	0.6
383.07727	30.5
384.08069	2.0
395.07831	2.8
397.09052	0.8
407.07672	0.8
413.08823	3.1
425.08713	3.3
443.09799	7.2
473.10825	11.6
474.11151	1.0
503.11987	4.2
545.13037	2.3
563.14087	100.0
564.14404	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	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59352	0.4
56.20934	0.5
57.03431	0.8
59.01376	1.7
68.94650	0.4
69.21738	0.9
69.22150	3.9
71.01379	0.9
73.02927	0.6
73.47897	0.5
85.02969	3.3
93.03471	1.4
104.48889	0.5
109.02970	0.6
110.73885	0.6
111.00877	1.2
114.93426	1.7
117.03481	5.0
119.05022	1.4
129.01968	0.8
133.02989	0.7
135.04543	2.5
145.03024	0.6
146.03723	0.5
147.02937	0.8
147.04518	2.2
149.02463	0.5
158.03740	0.6
159.04475	1.4
161.02440	1.8
163.04039	1.4
173.00905	0.9
175.04041	1.4
177.01900	1.1
177.05551	0.8
179.03528	1.2
180.21637	0.5
189.01915	1.1
191.01961	1.7
191.03557	1.5
191.05556	0.6
203.03587	0.6
205.05043	0.7
209.03029	1.4
217.04979	0.7
221.04546	0.8
253.08804	0.7
254.58789	0.5
265.04938	0.7
267.06592	1.2
268.07416	0.9
281.04565	1.2
281.08636	0.6
282.05450	2.0
283.06201	3.2
295.06207	3.7
296.06876	2.8
297.07700	18.0
298.07767	0.7
307.06094	1.9
309.07541	2.8
311.05676	4.6
322.05209	0.6
323.05576	3.7
324.06369	0.8
325.07184	9.6
326.07672	0.6
328.05948	2.7
335.05725	2.1
337.07166	3.2
353.06686	36.3
354.07022	2.3
355.08487	0.7
356.05331	1.3
365.06622	4.2
367.07959	0.7
377.06815	0.6
383.07755	21.5
384.08127	1.6
392.71344	0.4
395.07645	3.0
413.08954	2.8
425.08792	1.4
443.09860	11.3
444.10388	0.8
455.09866	1.6
465.02603	0.5
473.10941	7.4
474.11792	0.6
545.12970	1.6
563.14117	100.0
564.14447	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	563.1411
Annotation	CHEBI:70201
Peak:m/z	Relative Intensity
57.03445	1.1
59.01385	10.2
60.99335	0.9
61.98829	1.5
65.00335	0.9
68.80627	0.8
69.49261	2.2
69.49686	3.4
71.01391	5.9
72.99307	1.1
73.02963	1.5
75.00865	1.0
85.02952	8.4
87.00880	1.0
88.98811	5.3
89.02447	2.9
93.03447	2.5
94.71066	0.9
96.96004	3.2
101.02467	3.5
108.02211	0.8
109.02939	3.0
111.00880	3.5
111.04484	0.7
112.93721	2.1
113.02438	1.6
114.93433	1.5
117.03406	1.5
119.04939	0.9
121.02930	3.0
123.04543	0.9
125.02455	1.3
129.01938	1.0
133.02980	6.8
134.03795	4.2
135.04482	2.5
137.02422	2.2
145.02997	4.0
145.80154	0.7
146.03745	1.7
147.04581	3.4
148.10364	0.8
149.02499	6.0
151.03946	1.2
152.01164	1.0
159.04478	1.3
160.01665	1.2
161.02464	6.6
162.03256	4.4
163.00340	2.8
163.03970	1.5
164.04774	4.0
165.01889	1.5
165.05469	0.9
166.02620	0.8
167.03305	0.8
173.00908	1.5
173.04532	4.9
173.06004	1.6
175.00395	5.6
175.03995	2.7
176.01025	1.1
177.01926	1.6
177.05544	3.0
179.03526	1.4
179.07124	1.1
180.04221	0.7
181.05093	0.9
189.01900	1.1
190.02734	10.7
191.01976	1.8
191.03543	2.6
191.05611	5.9
193.04973	0.9
194.60611	0.7
195.06721	1.0
199.03961	1.3
200.04842	1.6
201.01826	1.1
203.07043	0.9
205.05090	9.4
206.05714	1.9
207.03032	0.8
208.03664	1.2
209.03020	0.9
213.05336	0.9
219.02962	1.0
219.04858	1.2
221.08206	1.8
223.06155	6.6
225.05566	1.3
227.03429	1.1
229.05247	0.8
229.08728	1.3
237.07576	1.1
241.05054	1.6
253.04990	2.1
255.02893	0.8
255.06535	0.8
263.07593	1.6
265.04785	0.8
265.07214	8.2
267.06729	0.8
269.04532	2.2
269.08115	1.2
281.04486	1.6
282.05231	2.0
283.06219	1.0
283.09683	0.8
284.03256	5.1
285.04108	9.8
295.08212	3.0
296.06793	1.1
297.01050	1.3
297.04135	17.0
297.07544	2.3
298.04852	75.4
299.05386	7.2
307.06268	2.9
309.00790	0.8
309.04105	12.7
310.04480	0.9
311.05554	3.0
314.04495	0.9
323.05557	2.2
325.03387	3.1
325.09232	3.3
326.04187	3.0
327.05145	20.3
327.12259	1.3
329.14008	1.4
330.03699	4.0
338.04434	2.0
339.05096	7.1
341.06604	0.9
351.04935	1.5
353.02988	2.8
353.06644	2.0
357.06070	11.6
357.09985	0.8
359.15045	1.1
369.06131	2.6
381.06049	1.8
383.07797	2.3
399.07214	15.5
400.07306	1.0
416.07285	1.1
417.08340	3.2
459.09262	1.1
473.10886	27.7
474.11246	2.0
503.19101	1.6
524.33667	0.8
545.12915	5.8
563.13983	100.0
564.14453	8.9
576.81329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63744	0.9
57.03447	2.5
59.01100	1.8
59.01383	22.9
68.94256	1.0
69.03459	3.8
71.01392	22.2
71.56175	1.1
72.99309	6.2
73.02953	8.4
75.00878	53.5
80.96550	1.0
83.01390	3.5
85.02957	20.0
87.00885	33.2
89.02451	10.5
93.03458	3.4
95.01366	1.4
96.96024	12.4
97.02951	3.1
99.65875	1.1
101.02453	10.8
103.00354	1.4
105.01947	33.0
109.02955	3.3
111.00883	12.2
112.93719	2.8
113.02444	6.4
119.03504	4.2
121.02991	5.0
123.00927	2.0
124.01659	2.7
125.02461	2.5
129.01955	4.2
131.03482	2.1
134.03748	1.4
135.04521	4.7
137.02412	2.4
139.03932	1.2
141.01909	2.4
143.03493	1.6
146.03766	1.9
147.00900	1.2
147.03015	1.9
147.04544	4.4
149.02452	23.6
149.99623	2.7
150.03288	1.7
158.03725	2.3
159.04474	2.1
161.04555	3.4
163.04034	3.0
164.04807	24.5
165.05553	3.1
166.02740	1.3
167.03300	1.2
168.00716	6.1
173.00961	2.0
173.02483	1.1
173.04567	4.7
173.06007	1.4
175.00354	6.8
176.01151	3.7
177.01747	1.1
177.04063	4.8
177.05513	2.6
179.03476	1.2
179.05733	2.3
179.07169	4.7
181.05121	1.2
190.02736	27.5
191.01920	7.3
191.03520	8.8
191.05534	9.0
194.02113	1.2
205.05080	35.2
206.05846	8.8
207.02977	3.5
208.03708	2.9
209.02895	5.6
209.04750	2.1
221.08244	10.5
223.06122	35.7
224.06557	2.0
225.22202	1.1
227.40625	1.2
234.38318	1.2
235.02512	2.3
237.07622	3.4
247.06209	1.7
250.04848	3.0
265.07208	30.4
267.06699	2.7
283.09863	2.7
291.07187	3.1
295.08374	6.9
297.07819	1.5
311.07715	2.2
321.08151	2.8
325.09283	8.3
327.08792	2.7
339.09116	3.6
353.06848	4.5
357.10388	55.3
358.10669	1.7
365.06766	1.2
367.10379	1.6
371.09998	1.3
383.07745	1.6
385.11313	4.9
413.10867	2.4
427.12610	8.9
497.12952	8.4
515.13837	6.7
531.13300	2.6
545.15100	14.5
546.15656	1.1
563.16138	100.0
564.16467	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	563.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63744	0.9
57.03447	2.5
59.01100	1.8
59.01383	22.9
68.94256	1.0
69.03459	3.8
71.01392	22.2
71.56175	1.1
72.99309	6.2
73.02953	8.4
75.00878	53.5
80.96550	1.0
83.01390	3.5
85.02957	20.0
87.00885	33.2
89.02451	10.5
93.03458	3.4
95.01366	1.4
96.96024	12.4
97.02951	3.1
99.65875	1.1
101.02453	10.8
103.00354	1.4
105.01947	33.0
109.02955	3.3
111.00883	12.2
112.93719	2.8
113.02444	6.4
119.03504	4.2
121.02991	5.0
123.00927	2.0
124.01659	2.7
125.02461	2.5
129.01955	4.2
131.03482	2.1
134.03748	1.4
135.04521	4.7
137.02412	2.4
139.03932	1.2
141.01909	2.4
143.03493	1.6
146.03766	1.9
147.00900	1.2
147.03015	1.9
147.04544	4.4
149.02452	23.6
149.99623	2.7
150.03288	1.7
158.03725	2.3
159.04474	2.1
161.04555	3.4
163.04034	3.0
164.04807	24.5
165.05553	3.1
166.02740	1.3
167.03300	1.2
168.00716	6.1
173.00961	2.0
173.02483	1.1
173.04567	4.7
173.06007	1.4
175.00354	6.8
176.01151	3.7
177.01747	1.1
177.04063	4.8
177.05513	2.6
179.03476	1.2
179.05733	2.3
179.07169	4.7
181.05121	1.2
190.02736	27.5
191.01920	7.3
191.03520	8.8
191.05534	9.0
194.02113	1.2
205.05080	35.2
206.05846	8.8
207.02977	3.5
208.03708	2.9
209.02895	5.6
209.04750	2.1
221.08244	10.5
223.06122	35.7
224.06557	2.0
225.22202	1.1
227.40625	1.2
234.38318	1.2
235.02512	2.3
237.07622	3.4
247.06209	1.7
250.04848	3.0
265.07208	30.4
267.06699	2.7
283.09863	2.7
291.07187	3.1
295.08374	6.9
297.07819	1.5
311.07715	2.2
321.08151	2.8
325.09283	8.3
327.08792	2.7
339.09116	3.6
353.06848	4.5
357.10388	55.3
358.10669	1.7
365.06766	1.2
367.10379	1.6
371.09998	1.3
383.07745	1.6
385.11313	4.9
413.10867	2.4
427.12610	8.9
497.12952	8.4
515.13837	6.7
531.13300	2.6
545.15100	14.5
546.15656	1.1
563.16138	100.0
564.16467	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	563.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96157	1.7
59.01385	32.1
59.78415	1.7
60.99300	2.2
61.69677	1.8
70.66765	4.7
70.68888	1.7
71.01389	18.6
72.99326	12.5
73.02957	3.4
75.00867	2.7
82.85993	1.6
83.01402	3.7
85.02953	4.9
87.00887	34.6
89.02458	37.8
97.02946	2.5
99.00916	8.2
101.02457	5.7
109.02951	1.9
111.00909	10.0
111.02001	3.0
112.98833	4.0
113.02438	2.3
113.78172	2.0
115.00394	4.6
117.01955	21.1
119.03533	3.1
121.54409	2.0
123.00897	4.5
124.98784	2.4
127.00375	6.7
129.01932	4.3
133.01459	12.3
135.03021	2.1
135.04538	2.3
138.03242	5.0
145.01404	6.7
149.02489	4.8
149.04494	2.3
152.01152	2.6
153.05586	7.3
161.01035	3.1
161.02452	9.6
161.04639	2.1
161.53709	1.8
163.04008	12.1
164.04793	7.5
166.02727	4.1
173.00952	18.8
174.01672	5.5
176.04790	6.2
178.06383	7.1
179.03513	14.6
179.05688	2.7
179.07141	14.6
181.05008	3.9
190.02791	3.3
191.01918	3.0
191.03510	6.3
191.07103	5.1
192.04187	2.3
193.08678	5.5
194.05841	17.2
203.03618	3.5
205.05042	3.9
206.05919	2.5
207.06653	2.4
209.08205	25.3
218.05698	2.8
221.03061	5.0
221.06520	2.7
231.02812	2.6
234.05379	4.8
246.05403	2.1
249.07671	5.2
250.04665	2.8
262.04874	7.6
264.06525	3.0
265.07190	22.4
276.06393	2.3
277.07169	17.2
291.08890	3.2
307.08206	3.0
335.06403	5.0
336.07059	9.4
337.09256	14.6
338.30008	1.6
354.94687	1.8
426.05243	2.0
427.12570	16.7
487.14536	7.1
503.16367	2.5
563.16241	100.0
564.16577	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	563.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.39863	0.6
57.03448	1.0
57.45217	0.6
59.01109	0.9
59.01387	14.4
60.99304	0.6
64.95256	4.7
65.21087	0.5
69.03454	0.9
71.01395	10.6
71.56457	0.9
72.99324	5.8
73.02962	2.9
75.00874	1.2
78.95926	1.2
81.03448	0.8
83.01427	2.7
85.02974	4.5
87.00890	43.3
89.02459	13.1
95.01387	1.1
96.96036	1.0
97.02948	0.8
99.00892	4.7
101.02459	4.5
104.29781	0.5
109.02986	1.3
111.00890	9.6
112.98849	2.8
113.02490	2.6
115.00373	1.8
117.01943	7.6
119.03513	1.3
121.02980	0.6
122.86674	0.5
123.00881	1.5
127.03996	0.9
127.82186	0.6
129.01997	3.0
131.03487	1.7
133.01436	3.8
137.02425	0.9
138.03239	5.8
142.99860	1.6
143.03525	0.6
145.01421	2.9
147.03026	4.6
149.02461	2.5
149.04445	0.7
151.00383	1.0
151.04031	1.7
153.05603	11.5
161.01047	0.8
161.02446	9.9
161.04594	1.1
163.04034	1.7
164.04817	11.3
166.02750	2.7
173.00955	7.9
173.02414	0.9
174.01686	2.1
175.03970	1.1
176.04819	7.5
177.01845	2.4
177.05481	1.7
178.02679	0.6
178.06386	0.6
179.03542	18.0
179.05582	2.9
179.07127	26.6
180.07457	0.9
181.05025	3.4
190.02701	0.6
191.01970	3.4
191.03525	2.0
191.07162	4.4
192.04297	1.5
193.05009	1.1
194.05864	21.0
195.06435	0.9
203.03539	2.1
205.01527	0.6
205.05095	2.3
206.05800	1.2
207.02960	0.8
207.06573	2.2
209.08214	33.4
210.08578	0.9
219.02997	2.5
220.03792	1.0
221.00613	2.2
221.02992	1.7
221.06465	0.8
221.08354	0.9
222.05376	1.3
223.06096	1.2
231.03036	1.9
233.04582	1.3
234.05421	2.8
235.02472	1.3
235.06143	1.6
237.07712	2.4
245.04619	0.9
246.05373	1.7
247.06087	1.2
249.04050	2.2
249.07690	5.8
250.04875	2.2
251.39023	0.5
261.07626	1.1
264.06378	7.1
265.07190	37.9
266.07645	1.2
276.06247	0.7
279.08759	1.3
286.20676	0.6
291.08713	1.6
307.08087	1.1
309.09784	1.6
325.09256	1.6
369.42734	0.5
383.09955	1.3
427.12482	30.6
428.12796	1.3
487.14502	4.1
503.16248	8.0
504.16809	0.6
545.15552	0.7
551.22021	0.7
563.16211	100.0
564.16553	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	563.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	39.2
61.86842	2.3
69.38832	5.8
69.39242	14.4
71.01394	48.0
72.99306	5.1
73.02956	5.6
75.00864	3.2
75.21193	2.3
83.01392	39.0
85.02970	12.8
87.00876	8.3
88.98821	7.5
89.02448	38.6
96.96982	2.3
97.02944	3.4
99.00893	28.2
101.02467	28.6
111.00899	10.8
113.02487	18.6
119.03508	13.9
124.98828	10.6
125.02516	3.7
126.98948	2.6
127.00388	65.3
129.01967	18.0
135.04570	12.7
137.02422	2.9
137.77948	2.2
143.03502	3.9
145.01450	14.5
149.02415	5.3
151.44260	2.7
153.05598	3.4
154.99931	5.1
157.01456	5.6
161.02466	13.1
161.04570	6.8
161.06047	2.6
163.04025	93.9
164.04745	7.0
166.02725	5.4
173.00945	26.2
175.03967	5.4
176.01204	3.4
176.04796	9.9
177.01947	14.9
178.06381	63.8
179.03526	18.3
179.05789	13.9
179.07132	10.8
181.04953	4.5
189.05624	3.8
190.02724	5.9
191.03523	36.3
191.07156	5.6
192.04277	3.1
193.08707	11.1
194.05901	11.0
199.04156	2.6
203.03531	6.3
205.05057	8.9
206.05887	13.8
207.06485	2.6
209.08205	9.8
215.01799	3.0
217.05162	3.2
219.02846	3.0
220.03938	2.8
221.04633	7.2
221.08232	6.8
222.05434	3.0
233.04575	4.6
237.07748	7.0
238.04807	8.2
247.02431	4.7
249.07625	4.9
258.18030	2.5
259.02182	2.5
262.04868	5.4
265.07208	14.2
274.04861	5.8
277.07184	25.8
279.08716	2.6
289.07312	15.5
291.08762	10.8
307.08386	22.2
322.44147	2.6
335.06192	42.0
336.07016	98.0
337.07312	5.0
487.14575	44.1
488.15134	4.2
563.16248	100.0
564.16840	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	563.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81236	0.9
54.51766	0.8
55.01892	1.6
59.01373	3.5
68.99805	1.1
70.28471	2.0
70.28863	2.0
71.01389	8.3
72.99314	1.8
73.02950	3.1
76.49055	0.9
83.01400	2.8
85.02955	5.1
87.00887	31.1
89.02437	1.9
93.03463	1.0
95.01382	3.1
99.00892	7.0
101.02460	3.4
111.00922	5.2
112.98817	6.0
113.02466	1.6
114.24453	0.8
115.00351	1.4
117.02753	0.9
123.00905	6.9
124.01691	1.1
127.04028	1.2
129.01924	1.8
138.03273	4.5
142.99815	4.5
145.01425	2.6
149.02434	1.6
151.00325	1.7
151.04091	1.0
153.05576	6.4
161.02451	7.4
163.04053	5.9
164.01077	0.9
164.04773	3.6
165.05527	1.0
166.02728	3.4
173.00926	34.4
174.01776	9.6
174.03185	2.1
175.03986	2.9
176.04808	7.7
177.01965	1.4
177.05545	1.1
178.06360	9.4
179.03529	11.1
179.07120	10.2
181.05099	4.6
190.02725	1.1
190.06285	1.3
191.03542	7.9
191.05322	1.7
191.07095	4.6
192.04269	1.4
193.05095	1.6
193.08728	13.3
194.05862	13.7
201.01945	1.0
203.03477	4.6
204.04158	1.2
205.05110	4.8
206.05862	5.8
207.06613	2.1
207.20201	0.9
209.08212	16.9
218.05812	1.6
219.02972	4.3
219.06683	1.1
220.03807	1.6
221.04572	1.2
221.08202	8.8
226.64690	0.9
229.01514	1.6
231.02994	2.5
233.04532	1.4
233.08147	1.7
234.05302	5.8
235.06194	1.1
237.07803	1.3
246.05357	2.0
247.02521	7.3
247.06133	1.3
249.07761	8.1
251.09253	1.2
261.04074	3.5
261.07794	1.9
262.04828	12.3
264.06238	1.3
265.07202	12.3
276.06467	5.0
277.07196	33.0
279.08759	1.0
291.08661	1.8
295.08289	1.5
298.09500	0.8
325.09091	1.5
337.09323	30.0
338.09604	1.3
355.10550	1.1
383.09863	3.1
427.12576	2.6
439.12509	1.8
487.14090	1.1
563.16211	100.0
564.16382	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	563.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98939	0.9
57.03453	1.6
59.01386	13.9
60.63461	0.7
61.98844	1.7
67.01919	1.4
69.03481	1.2
71.01391	8.5
71.58412	1.0
72.88017	0.8
72.99334	1.0
73.02955	2.1
83.01392	1.8
83.05034	1.0
85.02962	10.7
87.00883	6.6
88.98820	2.4
89.02454	5.0
92.13235	0.8
93.03468	8.6
95.01397	1.2
96.96004	5.6
99.00878	1.2
101.02448	5.6
108.02171	2.2
109.02967	2.2
111.00885	3.9
111.04542	2.8
112.93751	2.5
113.02453	3.2
119.01376	1.1
119.03502	1.8
119.05032	3.5
121.02982	1.5
123.04530	1.1
124.01685	2.4
127.04039	1.3
129.01949	1.2
133.02954	1.0
133.06589	1.1
134.03699	2.2
135.04521	2.5
137.00719	1.3
137.02429	5.8
139.04041	1.1
141.69789	0.8
145.02943	2.1
147.00859	1.5
147.04578	2.1
147.21378	0.9
149.02464	9.4
150.03249	2.1
151.03998	9.6
152.01167	1.8
155.03531	1.4
158.03737	0.9
159.04536	2.0
160.05321	1.8
161.02417	5.2
161.04539	1.5
161.06026	1.7
162.03239	36.6
163.04025	7.5
164.04802	7.7
165.00180	4.0
165.01926	1.2
165.05551	2.3
166.02676	0.8
173.04567	16.8
173.06010	2.0
175.00400	8.0
175.04053	1.5
175.07658	2.1
177.01872	1.2
177.05559	11.6
179.03563	6.3
179.07158	3.3
180.04301	78.5
181.04808	3.5
181.31360	0.8
187.04025	10.0
190.02730	19.7
191.01868	1.6
191.03600	1.3
191.05634	23.7
191.07365	1.5
195.06641	100.0
196.06967	2.4
202.06313	1.7
205.05055	30.6
205.69687	0.9
206.05450	1.3
208.03731	1.2
209.03075	1.6
211.07726	1.0
221.08194	1.1
223.06120	9.7
225.09282	1.1
229.08827	1.1
231.10078	0.9
236.00171	1.0
253.08627	1.7
254.09399	1.2
255.13971	0.9
282.08496	0.9
283.13422	6.2
284.03482	1.2
301.14377	3.4
307.06281	4.7
311.13077	3.0
327.12650	1.3
327.16101	8.4
329.14148	1.4
345.12982	1.5
345.17087	18.2
346.17535	1.3
353.06668	1.6
353.14041	1.8
357.12064	7.5
359.14926	5.7
367.10352	57.6
368.10507	2.4
371.15027	11.3
383.11255	3.1
389.16373	4.3
417.15439	2.2
423.67896	1.1
481.11975	1.2
519.35315	1.1
524.80988	0.8
527.27954	0.9
545.16840	8.3
563.21112	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	563.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89014	1.0
55.01878	2.2
57.03453	5.3
59.01388	85.6
61.98532	1.3
61.98839	17.1
67.01903	2.9
69.03465	2.3
71.01392	28.2
71.21398	2.0
72.99305	4.1
73.02954	9.1
75.00893	1.8
77.03973	0.9
78.95919	1.1
81.03488	1.6
83.01414	6.2
83.01817	1.0
83.05036	2.9
85.02959	27.5
86.03311	0.9
87.00893	11.2
89.02463	6.0
93.03461	20.9
95.01394	3.8
96.96024	2.5
97.02943	2.4
97.06610	2.3
99.00896	5.2
101.02456	19.0
105.03461	2.5
108.02140	1.0
109.02959	3.3
111.00887	4.6
111.04542	5.9
111.08151	1.4
112.01711	1.6
113.02473	7.8
117.03476	2.9
119.03548	1.7
119.04970	1.3
121.02992	1.3
123.08150	3.8
125.02447	3.3
127.04031	2.3
129.01947	2.8
131.03577	1.1
132.02187	23.4
133.02980	15.3
134.03761	40.9
135.04597	6.8
137.02455	7.5
139.04018	2.1
141.12883	1.6
143.03526	2.8
146.03757	1.1
147.03078	1.5
149.02460	1.2
149.06073	4.1
150.03235	1.2
151.04018	1.3
153.01979	1.1
155.03514	6.2
159.04596	1.2
160.01680	94.1
161.02301	3.0
161.04558	2.9
162.03287	1.1
163.03987	1.4
166.00955	1.3
167.03355	1.0
171.13950	2.3
172.05295	1.8
173.04576	45.2
173.06052	3.5
174.03197	2.6
174.04892	1.3
174.06900	2.3
175.04024	100.0
176.04413	2.5
177.01993	6.0
178.02727	10.9
179.03450	2.4
186.06825	2.5
187.04037	1.7
187.07649	4.0
187.13454	2.3
189.05426	1.5
191.01997	2.7
191.05632	42.7
193.05054	24.8
200.04822	2.6
201.05583	4.0
201.09164	1.3
201.14922	2.1
202.06339	2.3
203.07161	2.4
203.12959	1.2
204.07919	1.8
205.08710	1.3
209.03070	2.5
211.13414	14.1
214.06279	4.7
215.07123	3.3
217.08658	1.8
229.08717	3.0
230.09447	3.3
232.07431	4.2
247.09714	3.3
248.10600	3.3
253.09276	2.8
257.15393	2.8
267.95038	1.0
271.16946	1.0
274.08499	2.7
282.01697	1.0
283.13565	1.4
297.15009	1.0
299.16605	4.1
309.14990	5.7
311.12924	1.5
317.17456	2.3
327.16031	14.2
327.21851	3.9
329.14066	1.4
343.15588	2.3
345.17053	27.3
346.17462	1.6
353.13882	1.7
359.27994	8.9
363.20444	1.2
371.15088	18.0
384.05325	1.4
389.16068	15.5
467.30673	1.0
485.30798	1.4
503.32300	84.7
504.32468	4.3
504.39407	1.2
521.33319	29.1
522.33972	1.8
545.20294	2.3
545.33838	1.2
563.25323	97.5
563.33105	3.3
564.25708	11.5
564.34119	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	563.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52735	1.9
61.98833	3.1
65.01387	1.7
71.56150	2.8
75.00214	1.7
78.95910	45.7
85.06763	1.6
86.57085	1.7
88.77600	1.7
96.95994	4.3
96.96972	3.9
146.91222	1.6
152.99606	57.3
153.16896	1.7
171.00636	15.6
227.03259	3.6
245.04326	86.0
253.21727	46.1
267.01230	5.1
267.23239	3.3
297.01440	1.7
481.25742	100.0
482.25961	6.5
496.40851	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	563.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	70.9
61.98835	37.8
69.31135	50.3
69.31562	49.2
69.85941	10.9
77.22327	11.1
93.03431	19.6
96.96022	34.9
111.83443	10.3
120.93596	12.3
125.48145	10.2
126.51156	10.8
129.34326	10.3
173.04576	12.2
191.05594	16.1
217.12732	10.4
235.03870	10.1
263.85922	9.9
291.19672	100.0
292.20090	11.8
527.28766	35.9
563.26416	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	563.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03461	3.8
57.06989	0.6
59.01385	32.6
61.98533	1.4
61.98837	18.6
67.01897	1.0
69.03457	1.3
69.28471	7.3
71.01389	16.3
72.99316	1.4
73.02946	2.8
81.03452	1.3
83.01402	2.3
83.05059	1.4
85.02955	17.1
85.15311	0.6
87.00877	6.3
89.02445	8.5
93.03469	10.2
95.01400	1.8
95.05059	0.9
96.96014	3.9
97.02974	1.8
97.06596	4.8
97.91840	0.7
99.00922	1.6
101.02454	11.5
103.98122	0.7
108.02164	1.0
109.02968	2.7
111.00892	2.5
111.04511	2.7
112.93745	1.0
113.02457	6.9
116.92860	1.2
117.03419	1.1
119.03506	2.7
121.02923	0.8
123.08181	0.8
125.02475	1.1
125.09718	1.1
125.43101	0.7
127.04025	1.4
127.11305	2.1
129.01962	1.4
132.02171	2.0
133.02983	2.3
134.03737	4.2
135.04509	1.9
137.00722	1.1
137.02516	1.4
137.09726	1.5
143.03514	1.8
145.02888	0.8
147.04526	0.7
152.01112	1.7
153.01892	1.3
155.03542	3.8
155.10789	1.4
158.03813	0.9
158.07234	0.7
159.04465	1.7
160.01691	9.3
161.02425	2.5
161.04547	4.4
161.05748	0.6
163.04060	1.1
163.11482	0.9
165.00151	2.0
165.12869	1.2
166.00932	1.2
167.14435	1.0
171.03012	1.1
171.10289	13.5
172.05318	3.4
173.04599	21.9
173.06038	1.5
175.03993	7.4
176.04803	1.6
179.03522	0.9
179.05734	1.8
183.13930	4.9
185.11884	1.1
187.04018	3.8
191.05630	43.3
192.06107	1.3
193.05077	3.5
193.12375	0.8
199.13373	0.8
200.04811	2.3
201.05568	1.5
202.06419	1.4
203.07118	1.0
204.07941	1.0
205.05122	0.8
207.10085	0.8
209.03032	1.1
209.11809	1.2
211.07738	0.8
211.13403	19.3
214.06432	1.3
215.07121	1.4
221.11798	2.4
227.03584	1.9
227.12840	0.9
228.04317	1.7
229.14450	14.0
235.06065	2.3
239.12938	1.1
253.09325	33.3
254.09709	1.0
255.13951	2.0
265.07318	1.0
281.15509	2.0
283.13440	9.2
283.16571	1.3
284.13708	1.0
291.19739	3.7
295.08365	0.9
299.16391	0.9
301.14417	4.3
307.06387	1.5
309.14948	9.7
309.20526	1.6
311.12924	2.2
317.13727	0.7
317.17532	1.1
327.16180	11.5
327.21786	100.0
328.22064	4.8
329.13907	4.0
345.13004	1.3
345.17078	14.1
346.17627	1.5
353.13980	2.8
359.28128	1.9
371.14987	35.1
372.15344	2.9
384.05331	0.8
387.16599	3.4
389.16238	3.5
440.18890	0.8
451.07025	0.8
503.32339	15.0
504.32620	1.4
521.33380	6.0
545.20435	1.6
563.22064	8.0
563.31732	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	565.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37878	0.2
55.01883	0.2
55.37289	0.2
56.22082	0.2
57.03455	0.3
59.01384	3.2
61.98837	0.4
71.01389	2.5
71.56171	0.3
72.99332	0.4
73.02953	0.6
75.01323	0.2
83.01408	0.5
83.92683	0.2
85.02954	2.4
86.92397	0.2
87.00906	0.4
89.02452	2.4
93.03471	0.5
95.01400	0.3
96.96028	2.2
99.92591	8.3
100.92620	0.2
101.02491	1.0
106.07399	0.2
108.02203	0.4
109.02966	0.4
111.00896	0.8
113.02456	0.9
114.93403	0.5
115.00422	0.2
116.92870	100.0
117.03451	0.5
117.92880	2.8
119.03484	0.6
119.05033	0.4
120.23470	0.2
121.02944	0.3
123.04504	0.5
125.02478	0.3
125.99616	1.4
129.01993	0.4
133.02960	0.4
134.03810	0.2
135.04523	1.1
136.01701	1.0
137.02478	0.6
139.00424	0.2
139.04079	0.2
145.02975	0.4
146.03770	1.4
147.03017	0.3
147.04532	0.3
148.05302	1.0
149.02428	0.2
151.04005	1.0
153.01938	0.3
158.03729	0.4
159.04553	0.4
161.02435	0.5
161.04594	0.4
161.06041	0.3
163.04004	0.5
164.04738	0.3
166.02629	0.2
173.04564	0.7
173.06071	0.5
174.03256	0.2
175.03944	0.2
179.03500	0.7
179.05609	0.7
180.04167	0.2
189.05577	0.6
190.02667	0.2
191.01967	0.5
191.05644	1.2
192.05840	0.2
193.04987	0.2
195.06799	0.2
207.06575	0.3
209.03009	0.5
218.02188	0.9
219.37183	0.2
226.95618	0.2
233.04527	2.2
236.81711	0.2
267.06653	0.2
283.05811	0.4
284.03308	0.4
284.06415	0.2
285.06738	0.2
287.09250	0.2
295.06021	0.2
296.06479	0.3
297.04092	0.5
297.07565	0.9
297.11407	0.4
298.04797	0.3
298.07965	0.6
299.05399	0.5
299.08459	0.4
324.05917	0.2
325.06940	0.5
326.07541	0.5
327.04968	2.5
327.07947	0.2
328.05551	0.4
353.06454	0.9
354.06897	1.7
355.07321	1.5
357.06149	0.6
380.97110	0.8
383.07602	0.5
383.11996	0.2
384.08121	0.8
385.08548	1.5
389.15842	0.3
403.10077	1.9
408.96982	0.3
414.09537	0.2
443.09686	0.2
444.10110	0.6
445.10779	0.9
447.09470	2.3
457.10602	0.2
474.10828	0.4
475.12076	0.3
529.00690	0.3
547.01904	2.1
564.14343	2.4
565.14569	9.2
565.28693	0.4
566.14996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37878	0.2
55.01883	0.2
55.37289	0.2
56.22082	0.2
57.03455	0.3
59.01384	3.2
61.98837	0.4
71.01389	2.5
71.56171	0.3
72.99332	0.4
73.02953	0.6
75.01323	0.2
83.01408	0.5
83.92683	0.2
85.02954	2.4
86.92397	0.2
87.00906	0.4
89.02452	2.4
93.03471	0.5
95.01400	0.3
96.96028	2.2
99.92591	8.3
100.92620	0.2
101.02491	1.0
106.07399	0.2
108.02203	0.4
109.02966	0.4
111.00896	0.8
113.02456	0.9
114.93403	0.5
115.00422	0.2
116.92870	100.0
117.03451	0.5
117.92880	2.8
119.03484	0.6
119.05033	0.4
120.23470	0.2
121.02944	0.3
123.04504	0.5
125.02478	0.3
125.99616	1.4
129.01993	0.4
133.02960	0.4
134.03810	0.2
135.04523	1.1
136.01701	1.0
137.02478	0.6
139.00424	0.2
139.04079	0.2
145.02975	0.4
146.03770	1.4
147.03017	0.3
147.04532	0.3
148.05302	1.0
149.02428	0.2
151.04005	1.0
153.01938	0.3
158.03729	0.4
159.04553	0.4
161.02435	0.5
161.04594	0.4
161.06041	0.3
163.04004	0.5
164.04738	0.3
166.02629	0.2
173.04564	0.7
173.06071	0.5
174.03256	0.2
175.03944	0.2
179.03500	0.7
179.05609	0.7
180.04167	0.2
189.05577	0.6
190.02667	0.2
191.01967	0.5
191.05644	1.2
192.05840	0.2
193.04987	0.2
195.06799	0.2
207.06575	0.3
209.03009	0.5
218.02188	0.9
219.37183	0.2
226.95618	0.2
233.04527	2.2
236.81711	0.2
267.06653	0.2
283.05811	0.4
284.03308	0.4
284.06415	0.2
285.06738	0.2
287.09250	0.2
295.06021	0.2
296.06479	0.3
297.04092	0.5
297.07565	0.9
297.11407	0.4
298.04797	0.3
298.07965	0.6
299.05399	0.5
299.08459	0.4
324.05917	0.2
325.06940	0.5
326.07541	0.5
327.04968	2.5
327.07947	0.2
328.05551	0.4
353.06454	0.9
354.06897	1.7
355.07321	1.5
357.06149	0.6
380.97110	0.8
383.07602	0.5
383.11996	0.2
384.08121	0.8
385.08548	1.5
389.15842	0.3
403.10077	1.9
408.96982	0.3
414.09537	0.2
443.09686	0.2
444.10110	0.6
445.10779	0.9
447.09470	2.3
457.10602	0.2
474.10828	0.4
475.12076	0.3
529.00690	0.3
547.01904	2.1
564.14343	2.4
565.14569	9.2
565.28693	0.4
566.14996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0483
Annotation	UDP-alpha-D-galactose
Peak:m/z	Relative Intensity
52.89296	0.3
53.23932	0.3
62.96417	1.0
71.01315	0.5
71.01647	0.6
78.95912	100.0
79.95692	0.3
90.29419	0.3
96.96059	3.8
96.96971	34.5
111.02012	7.5
119.66443	0.3
120.96992	1.8
136.94011	0.6
138.98036	2.5
140.20692	0.3
144.97087	0.3
149.50218	0.3
150.98062	2.1
158.92554	15.7
162.98111	0.7
174.97997	0.8
176.93622	1.5
178.95094	0.7
192.99068	1.1
211.00116	4.4
241.01208	8.7
259.02347	0.5
262.01193	0.3
264.30054	0.4
272.95773	4.4
273.79178	0.3
280.02371	2.2
305.01837	1.1
316.99829	0.3
320.97849	2.5
323.02869	59.3
324.03107	2.1
350.81433	0.5
378.81085	2.1
379.81207	1.2
380.80890	2.7
381.81189	0.7
384.98492	4.3
402.99457	1.5
420.82208	3.5
421.32486	0.5
421.82434	1.8
422.82034	5.2
423.82004	0.5
504.95267	0.8
564.83551	1.8
565.04785	22.6
566.05212	0.7
582.84027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.34697	1.8
57.03444	5.0
58.00593	4.2
58.14452	1.9
59.01384	82.0
61.98824	3.3
71.01390	80.4
72.99308	7.2
73.02948	2.4
74.01429	2.1
83.01398	4.6
84.05815	2.0
84.71764	2.2
85.02965	22.7
87.00884	5.3
89.02454	80.3
93.03436	3.6
95.01366	3.5
96.96006	22.0
101.02455	19.2
103.14524	2.2
108.02187	24.2
109.02970	15.8
113.02456	22.4
114.18579	2.1
115.00368	5.3
116.92854	4.6
119.03491	6.5
121.02963	5.4
123.04517	11.1
127.11311	2.2
129.01950	3.9
133.01425	12.0
133.02972	4.5
134.03751	3.5
135.04515	9.7
136.01674	45.5
137.02446	4.3
143.03473	5.0
145.02988	19.4
146.03754	62.5
147.02931	3.3
147.04327	4.1
148.05304	30.8
151.04022	48.9
152.01172	19.9
153.01917	6.4
158.03722	7.8
159.04457	8.4
160.01605	7.8
160.05280	3.5
161.02399	8.5
161.04552	7.6
161.06075	13.1
163.03990	3.8
165.04041	2.4
173.04665	3.2
173.06061	9.5
174.03239	23.1
175.04041	11.8
179.03450	3.9
179.05641	18.0
181.04991	3.0
189.05588	39.7
191.01900	6.6
191.03532	2.4
191.05661	4.8
193.05060	3.3
205.05074	3.0
207.06618	8.6
218.02219	42.3
233.04558	71.0
267.06638	5.8
270.01703	2.2
280.07535	3.4
281.08032	5.8
282.08670	2.8
285.03983	18.9
297.11304	43.1
299.02005	4.3
313.03543	24.8
314.04196	6.3
328.05923	18.8
329.06598	15.6
341.06613	2.3
341.10416	11.5
343.11612	2.8
359.15039	2.6
359.61514	2.2
385.09375	3.8
403.10239	89.3
404.10553	6.9
475.08606	7.7
477.14313	2.4
477.51569	2.5
490.10947	4.3
521.15594	2.4
565.15533	100.0
565.27905	5.3
566.15582	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	565.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
58.00600	3.8
59.01385	76.9
61.98851	7.9
61.99147	1.6
68.48111	1.5
69.56231	4.0
69.56634	7.4
71.01389	86.5
71.05034	1.6
72.99322	2.7
83.01423	2.5
85.02972	13.5
87.00883	3.9
88.98798	2.4
89.02457	100.0
95.01389	2.7
96.96018	11.9
101.02450	19.3
108.02173	20.3
109.02959	5.8
111.00915	4.0
113.02457	20.8
116.92890	9.0
119.03504	7.4
121.02901	2.8
123.04533	21.4
131.03534	4.6
134.03714	2.0
135.04500	3.7
136.01675	26.8
137.02458	2.3
143.03485	6.2
145.02998	7.9
146.03752	45.7
147.04532	2.5
148.05310	30.3
149.02547	2.0
149.04590	3.5
151.04033	29.3
151.37663	1.8
158.03764	13.3
159.04552	11.8
161.02428	2.6
161.04568	9.5
161.06090	10.5
163.04042	2.6
163.07596	1.7
173.04642	2.6
173.06059	15.8
174.03220	10.4
175.04041	2.6
179.03583	1.8
179.04002	2.2
179.05629	22.3
189.05589	9.4
190.02852	2.1
191.01955	2.1
191.05597	3.1
207.06648	5.2
209.03101	2.0
218.02220	38.6
233.04567	71.2
234.04916	3.3
249.43642	1.5
267.06628	5.4
280.07428	5.2
281.08200	14.4
281.30414	1.7
282.08789	5.6
287.09201	2.4
297.11307	6.2
341.10260	6.9
385.09204	3.5
403.10318	55.6
565.15283	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	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26995	1.3
57.03450	2.1
59.01384	26.5
61.98850	7.7
65.00320	2.1
66.08617	1.3
66.26639	1.3
67.01918	1.5
70.53392	3.0
70.67423	1.2
71.01389	20.0
72.99310	4.5
73.02962	5.3
75.00876	4.6
79.95756	1.6
80.14365	1.3
83.01410	2.3
83.05032	1.8
85.02961	13.1
85.71113	1.5
87.00399	2.1
87.00893	15.5
88.98820	1.8
89.02456	5.9
90.64845	1.4
91.01886	1.8
93.03469	12.9
95.01406	1.8
96.96024	24.8
98.19922	1.8
99.00874	2.1
101.02468	9.1
107.01379	4.1
108.02175	4.3
109.03027	2.3
111.00901	3.0
113.02463	7.2
116.92897	2.4
119.01395	4.7
119.05025	2.0
120.99713	2.0
121.02969	10.6
123.00882	5.2
123.04529	2.4
124.01650	6.6
125.02448	4.5
132.02173	4.6
133.05061	6.6
134.03783	9.5
135.04547	16.5
137.02464	5.0
139.00398	1.6
139.04013	2.2
147.00912	4.1
149.02435	28.9
149.06068	2.4
150.03253	4.0
151.00406	17.1
151.04028	3.2
152.01147	6.5
153.00693	3.4
153.01880	3.0
154.01476	57.7
160.01666	12.7
161.02448	3.6
161.04541	1.7
163.04018	19.8
164.04817	72.5
165.01883	2.7
165.04074	1.6
165.05415	3.6
167.03511	1.7
168.00697	1.8
173.04559	25.6
175.00386	37.9
175.03963	16.8
176.01138	3.0
178.06343	5.1
179.03542	7.3
179.07146	38.0
189.01996	1.6
190.02734	96.0
191.03548	7.6
191.05591	9.5
193.01381	1.9
193.05023	12.3
194.05872	2.7
195.06757	1.8
196.07239	1.6
205.05080	100.0
206.05574	2.7
208.03775	3.4
209.04559	2.4
209.08220	3.8
223.04092	2.2
223.06133	28.7
223.13290	1.6
250.04749	1.4
265.07141	3.0
287.05603	11.6
295.08185	4.5
315.39340	1.5
337.09503	7.5
367.10345	63.6
368.10733	3.2
373.15552	1.9
388.15961	1.6
431.09851	3.6
449.10965	2.0
505.26611	2.4
505.33896	5.5
523.27808	3.0
523.35022	2.9
547.18243	77.4
548.18958	7.1
565.19299	21.8
565.32922	9.3
566.11560	28.1
566.19720	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	565.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
57.96151	0.6
59.01386	30.0
60.62035	0.6
61.98829	1.2
62.79364	0.6
70.67180	2.2
71.01387	7.2
72.99315	1.6
73.02947	0.7
75.00874	3.6
83.01393	1.0
85.02954	7.6
87.00875	1.7
89.02464	4.5
93.03487	1.8
95.01415	0.6
96.96013	6.2
101.02442	3.1
109.02985	1.3
113.02461	3.0
117.37281	0.6
119.03509	1.6
125.02427	0.8
134.03824	1.3
135.04527	2.3
136.01648	0.8
137.02448	6.9
137.99612	0.6
138.09451	0.7
147.97067	0.6
148.05330	1.0
149.02463	1.5
149.91541	0.7
151.04001	1.3
157.60023	0.7
159.40666	0.7
161.04623	0.9
164.04823	2.3
165.01944	39.6
165.05598	1.8
173.04456	1.0
175.03860	0.7
179.03488	1.5
179.05658	1.2
179.07140	5.4
180.04305	32.1
181.04929	1.5
191.02003	2.3
191.05637	2.6
195.06641	100.0
196.07011	2.3
207.06601	0.7
209.03062	4.4
227.09230	3.2
243.08737	16.5
244.08963	0.8
267.06598	0.9
285.07596	0.8
315.12259	0.9
341.10501	1.4
385.09302	1.2
403.19775	2.8
565.16638	4.3
565.25323	3.4
565.63544	0.8
566.15668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03435	2.7
58.03788	0.8
59.01385	50.5
61.98835	18.4
67.01877	1.2
71.01013	1.2
71.01390	17.1
71.56302	0.7
72.99288	1.6
73.02953	5.8
74.02464	0.7
75.00880	1.9
79.95727	0.8
83.01391	3.8
85.02964	12.8
87.00868	2.4
87.04517	1.1
89.02425	2.9
93.03466	3.3
95.01390	2.0
96.96024	11.3
97.02985	0.8
99.00888	3.3
99.04556	0.9
101.02451	12.8
107.88280	0.6
108.02190	5.5
109.02985	3.8
111.00891	1.9
111.04518	1.0
113.02457	8.3
117.03506	1.7
119.05031	2.4
121.02914	0.8
123.04540	0.8
124.01690	0.9
125.02444	2.2
132.01225	1.3
132.02185	18.6
132.03175	1.3
133.02930	2.9
134.03754	21.2
135.04529	1.9
137.02423	2.7
141.09218	1.0
141.12881	1.0
143.03467	1.5
147.11746	0.9
149.06116	3.1
149.23805	0.7
152.01158	7.2
153.01909	2.2
153.09195	0.9
159.02992	1.1
160.01674	83.7
161.02168	2.9
161.04588	2.6
163.03990	3.0
165.05524	0.7
167.03470	1.3
171.13905	1.9
173.04581	3.6
174.04796	0.7
175.04010	90.9
176.04373	2.6
178.02647	1.2
179.03523	1.6
187.13422	0.9
191.05641	3.6
193.05055	19.6
194.05415	1.0
201.14989	1.5
315.25470	0.9
347.17535	1.0
359.28308	1.9
361.29596	8.4
373.15723	0.7
403.17688	0.7
493.30380	4.2
505.33878	62.9
506.27701	0.7
506.34341	2.9
523.34937	18.9
523.42969	0.9
565.26678	100.0
566.27069	8.6
566.35126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75684	0.6
51.22514	0.5
51.95287	0.6
61.98823	0.8
67.87432	0.6
72.82000	0.5
75.02436	0.5
78.52992	0.6
78.95906	10.0
96.96032	0.7
96.96966	1.0
98.19875	1.3
129.08443	0.6
151.11295	2.0
152.99609	14.9
153.65520	0.5
154.36133	0.6
169.12370	4.6
171.00630	1.4
171.33632	0.5
195.10207	0.7
195.13857	0.6
213.11336	1.1
227.03326	2.8
245.04388	1.4
248.99968	0.6
255.23306	100.0
256.23682	4.7
267.01236	1.3
287.15051	1.5
295.22888	3.6
483.27313	51.9
484.27759	3.5
505.24380	1.0
565.28516	0.6
565.37323	2.8
577.56494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	79.5
59.56110	19.1
61.98826	63.9
67.53633	17.2
71.55877	22.3
94.78607	17.8
96.96033	100.0
101.71069	17.4
113.04668	25.1
117.03452	18.5
119.05027	36.8
119.79082	18.2
125.16463	17.7
223.33873	22.5
254.85620	46.7
293.21252	22.4
386.42200	19.3
565.28540	57.5
578.06610	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	565.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.9
61.98819	19.5
69.22548	63.5
83.71008	7.4
96.96026	85.9
98.20681	12.3
117.03467	26.9
119.05034	42.1
121.02966	15.9
123.04547	11.7
137.09724	18.3
151.04054	19.9
163.04034	99.2
179.03502	100.0
194.05856	75.4
209.08224	76.5
254.85709	26.3
269.07156	14.4
270.49466	7.7
293.21332	8.5
437.11539	7.2
499.35294	9.4
565.28265	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	566.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
57.03453	2.4
58.00591	1.1
59.01386	100.0
60.01718	0.9
61.98837	4.6
68.99830	0.6
69.03474	0.9
69.33724	2.7
69.34147	0.8
70.02992	0.9
70.20041	0.4
71.01391	28.7
72.99310	4.7
73.02953	9.2
74.02480	5.4
75.00874	3.3
78.95923	2.0
83.01397	7.1
84.04551	0.6
85.02962	17.5
86.00110	1.0
86.27441	0.4
87.00896	3.1
88.98832	0.5
89.02453	6.2
92.33736	0.4
93.03481	1.8
95.01414	3.6
95.05039	0.4
96.95998	2.3
97.02978	1.6
99.00896	4.1
99.92575	0.5
101.02458	23.2
108.02165	0.6
109.02961	1.3
111.00893	4.5
111.04536	0.7
112.01701	0.7
113.02457	14.9
115.04104	0.4
115.92112	0.8
116.03527	1.2
116.92889	2.8
116.93596	0.4
117.01978	0.5
117.92901	0.5
119.03514	1.9
119.05124	0.5
121.02959	2.2
122.03304	0.6
123.00879	0.5
123.04568	2.2
124.01681	1.3
125.02480	2.5
125.06158	0.4
128.03543	0.5
129.01938	0.7
131.03545	0.5
134.03708	0.8
135.04541	4.1
136.04935	0.9
137.02460	2.2
139.00304	0.5
141.02011	0.6
143.03502	2.5
143.04556	0.7
147.04549	0.7
148.00763	1.2
149.02460	1.4
150.03217	0.8
151.04022	0.5
152.01163	0.8
152.99582	2.1
153.05583	0.7
159.03035	2.0
161.02437	1.3
161.04591	7.7
161.05942	0.8
163.04004	1.0
164.04800	2.7
165.05257	1.0
173.04582	2.0
175.00391	0.7
175.02531	0.4
175.04037	0.5
176.01016	0.9
179.03540	2.6
179.05630	0.9
179.07162	1.0
179.78722	0.5
180.03918	1.2
181.05063	0.7
182.02182	0.6
190.02702	2.4
191.03275	1.4
191.05646	2.3
192.03952	0.5
192.06337	0.4
193.05022	0.6
195.06566	0.4
196.64091	0.4
197.04575	4.5
198.04947	1.6
203.12988	0.4
205.05074	2.7
206.05496	2.0
223.06094	1.6
237.18678	0.6
249.18608	0.6
255.19820	0.5
257.21228	2.0
270.01633	0.4
270.10986	0.6
272.08948	1.1
285.04080	1.1
285.20782	0.5
286.04483	0.9
287.22311	7.3
299.22327	0.7
313.03653	0.7
314.03677	1.1
328.05698	0.7
329.06311	1.7
330.26459	0.8
344.27945	2.9
359.09714	0.7
360.10077	2.0
362.29141	4.4
363.14847	0.7
365.18039	0.4
367.10257	1.7
368.10629	2.3
403.10431	1.5
404.10544	2.9
419.26553	6.0
420.26620	0.5
431.26505	0.6
432.29865	0.7
449.27719	0.7
458.31125	1.1
470.31302	0.6
479.20578	1.3
488.32761	2.5
506.33368	92.5
507.33789	8.3
524.34460	22.1
525.34613	2.4
530.29602	1.2
566.17340	1.6
566.31116	2.2
566.35010	2.6
567.29932	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	567.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28657	0.4
50.55814	0.5
54.77057	0.4
57.03448	0.6
59.01383	6.0
61.98838	3.3
63.05642	0.4
67.49944	0.4
69.03473	0.5
69.45332	3.0
71.01386	7.0
72.99311	2.1
73.02950	2.2
75.00877	3.9
78.78545	0.4
81.03477	0.6
83.01377	0.6
85.02954	4.0
89.02435	2.2
93.03465	41.4
93.64749	0.5
94.03798	0.5
95.01382	0.9
96.96019	1.5
98.95587	0.6
99.00924	2.1
100.98814	2.9
101.02460	4.2
108.02184	43.4
109.02979	8.9
111.00909	0.6
113.02478	2.3
114.37560	0.5
115.92095	3.8
116.92838	0.8
118.99853	2.1
119.03589	0.6
119.05051	0.8
121.02942	1.6
123.00877	1.2
123.04538	0.9
125.02477	1.3
131.27699	0.4
133.02965	1.9
133.42708	0.4
134.03761	0.9
135.04546	1.5
137.02457	56.6
149.02391	0.7
151.04037	1.6
152.01164	73.8
153.01947	3.9
161.02483	0.5
161.04570	1.2
163.04016	3.5
173.04462	0.8
175.03995	0.9
177.02010	0.7
179.03506	0.8
181.05074	0.4
190.02695	0.8
191.05568	1.0
192.52571	0.5
197.04591	0.9
199.03979	0.4
205.05089	1.2
207.03015	0.5
219.94554	0.4
243.06592	0.5
249.46173	0.5
272.08795	0.6
285.04047	11.6
286.04248	0.7
290.33075	0.6
297.06253	0.9
299.05496	0.6
315.07297	1.4
357.06137	0.5
429.10477	6.2
447.11456	13.1
448.11493	0.7
506.33542	0.6
507.27866	1.2
523.31183	5.4
524.35291	0.6
525.29132	0.8
549.33093	2.2
567.13538	100.0
567.33014	9.9
568.13831	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	567.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	89.2
61.54523	0.4
61.98824	3.2
67.08939	0.4
69.22028	0.9
69.22436	3.3
71.01409	0.6
81.59795	0.4
86.27126	0.4
96.96030	1.5
98.20651	0.9
126.95547	0.4
133.02927	0.4
134.03749	0.5
151.00337	0.7
161.02454	5.6
162.03209	2.6
177.05606	1.7
183.04597	1.1
185.02464	1.4
187.00287	0.6
198.03244	0.8
199.04105	0.8
200.05005	0.4
203.03561	3.1
213.84267	0.4
215.03535	0.6
226.02783	0.7
227.03497	9.4
229.01434	1.2
237.07742	4.3
242.02129	0.7
243.02995	2.1
270.01761	1.7
271.02509	17.4
272.02966	0.6
285.04108	5.8
299.02005	46.2
300.02429	2.2
309.04092	0.6
313.03540	6.3
314.04358	39.7
315.04800	2.4
327.05136	0.5
328.05960	1.1
329.06693	100.0
330.07010	4.1
418.46017	0.4
491.20331	0.5
503.51999	0.5
535.19293	0.7
544.02277	0.5
567.15033	1.1
567.30249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03441	1.2
59.01389	26.3
61.98843	7.3
67.01885	1.2
68.85826	1.1
69.03463	2.0
69.30747	10.5
71.01385	13.8
72.99325	3.4
73.02967	3.6
74.02486	3.6
75.00888	4.4
75.69233	0.9
77.36434	1.0
78.15859	1.2
78.95902	2.2
79.40243	1.0
81.03463	9.7
83.01392	6.5
83.05015	1.2
85.02961	8.9
87.00871	1.8
89.02453	4.9
93.03467	9.4
95.01405	3.7
95.05031	5.8
96.96027	4.9
97.02969	6.6
99.00919	2.3
99.04523	3.0
101.02461	7.4
104.57178	1.1
107.05048	2.7
108.02230	1.8
109.02979	8.2
109.06603	1.3
111.00934	3.0
111.04541	3.8
113.02473	6.6
115.92084	3.8
116.92937	1.1
119.03526	1.8
119.05054	9.7
121.02971	5.2
123.04552	15.2
125.02460	13.9
125.06052	1.3
134.03746	2.5
135.00911	4.2
135.04509	6.9
137.02463	11.2
137.06088	8.5
139.04048	11.1
140.01164	1.1
145.03001	1.4
147.04544	3.1
149.02448	3.3
149.06096	2.1
150.03195	2.3
151.04013	6.9
151.07693	1.3
152.01164	1.6
153.01962	6.9
153.05597	2.1
155.03551	2.6
159.04593	1.1
161.02425	1.8
161.04549	3.8
161.06015	2.4
163.04051	4.3
163.07564	1.8
164.04846	1.9
165.01904	5.0
165.05620	7.3
166.02661	2.3
167.03516	33.8
173.04558	2.6
177.01913	1.3
177.05589	3.8
179.03511	14.1
179.05083	1.3
179.05652	1.2
179.07072	2.6
180.04190	1.6
181.05086	3.4
182.18933	1.1
182.99396	2.7
189.05557	8.1
191.03490	2.2
191.05684	3.0
192.85580	1.4
193.05087	4.3
195.06636	1.7
197.04550	7.0
203.03355	1.3
205.05147	2.5
207.02925	1.0
207.06708	2.1
209.04572	25.5
210.04922	1.5
219.02931	1.7
221.04573	5.1
223.06235	2.8
233.04614	2.7
235.06128	1.4
239.05611	13.9
251.05669	4.5
263.05743	3.0
269.06772	3.2
273.07629	5.0
281.06781	1.3
285.07620	1.6
293.06567	1.6
315.08774	18.3
327.08746	7.7
341.10101	1.5
345.09756	6.2
354.07114	1.2
357.09821	100.0
358.10156	4.7
363.14267	2.0
369.09689	2.8
387.10886	88.0
388.11301	5.0
399.10822	2.7
417.11923	30.5
418.12054	1.9
429.11792	12.6
441.12366	1.8
447.12857	14.4
459.12939	11.0
471.12860	1.3
477.13916	13.3
489.14093	4.5
506.33395	11.6
507.14908	1.7
507.21628	1.7
507.33813	8.3
511.52606	1.4
524.33923	1.8
525.34747	1.6
549.16162	4.0
567.17194	9.2
567.30939	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	567.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03448	2.5
58.00592	3.2
58.49075	0.8
59.01386	100.0
60.01747	1.0
61.98850	1.0
68.74709	0.8
69.93199	4.3
71.01389	67.0
71.33042	0.8
72.99326	5.7
73.02952	2.5
74.02483	3.8
75.00891	5.5
75.57598	0.9
83.01412	1.7
85.02957	12.7
87.00875	6.9
89.02454	92.0
90.02792	1.6
93.03469	3.2
95.01400	3.2
99.00879	1.2
101.02454	33.8
105.03471	1.9
108.02167	5.3
109.02972	1.7
111.00900	1.3
113.02459	26.6
114.93451	6.2
115.04024	1.1
115.92076	1.4
116.92867	1.6
117.03511	1.5
119.03516	33.3
121.02987	2.6
123.04510	1.2
125.02520	1.7
129.01942	1.1
131.03543	3.2
133.02992	2.9
134.03770	1.4
135.04585	1.4
136.01695	1.4
137.02495	4.0
138.03258	1.0
141.60896	0.9
143.03526	4.0
145.02975	5.5
146.03746	3.6
147.04483	2.5
149.02359	1.4
149.04567	3.1
151.04007	7.1
152.01167	6.5
161.02461	32.2
161.04449	5.0
161.05814	1.0
162.03244	46.4
165.05577	1.8
173.04578	2.1
175.03868	1.0
176.04791	10.6
177.04082	1.6
177.05592	29.6
179.03516	39.8
179.05615	11.2
180.04204	2.6
191.05582	2.2
191.07166	4.1
194.05858	33.8
194.07649	1.4
195.06651	8.1
200.33148	1.0
209.02742	0.9
209.08208	41.3
223.06059	1.2
227.12997	1.8
233.04446	1.1
239.04564	1.1
285.75427	1.0
357.11966	1.4
386.73444	1.0
405.11066	1.6
428.33139	0.9
451.95587	0.9
481.77313	0.9
549.29663	1.4
567.14252	7.7
567.29346	7.6
568.33191	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	567.2949
Annotation	5-Oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
59.01365	29.3
61.98837	47.1
71.55756	16.4
96.96025	100.0
99.92604	14.4
116.92838	16.6
152.41096	11.9
169.15250	13.7
171.93359	13.8
201.10660	13.8
295.22797	26.9
378.93332	14.0
410.41708	14.6
530.60889	16.1
567.29810	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93931	0.9
59.01104	1.6
59.01387	20.7
61.31870	1.0
61.98829	4.5
63.63058	0.9
71.56165	1.0
78.95916	21.3
79.95736	2.3
80.96535	4.3
96.96030	2.9
116.71699	1.0
152.99571	4.7
168.04309	3.3
175.44452	1.1
178.05786	1.1
187.12267	1.1
224.06990	7.2
242.08002	1.9
255.23262	7.5
269.24884	100.0
270.25238	5.6
483.27170	3.3
494.32553	60.9
495.32767	4.6
568.29315	7.2
569.28986	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	569.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.63838	3.3
61.98838	68.5
69.70627	21.5
71.01395	50.9
72.99345	4.5
73.02954	42.1
78.95909	12.7
83.01405	18.7
85.02946	16.1
87.00905	7.3
88.98795	6.8
89.02451	21.0
93.03478	9.8
96.96016	20.6
99.00885	5.4
101.02450	61.9
107.01394	7.7
108.02165	4.3
113.02461	24.7
116.05088	51.7
116.92875	8.4
119.03516	10.0
121.03039	5.0
125.02464	9.9
131.03529	5.5
133.03000	4.0
134.03743	4.2
135.04565	30.1
137.02461	11.3
139.73734	3.2
142.06638	73.7
143.03485	8.1
145.02983	5.6
149.02438	5.3
149.04570	11.2
150.03223	5.6
151.00392	42.8
151.84161	3.2
152.99593	14.3
159.04520	9.4
161.02473	5.2
161.04538	20.4
164.04683	4.2
170.06139	83.2
173.04556	12.8
179.05641	6.5
179.07111	4.7
191.05609	12.5
203.03523	3.8
209.04565	5.3
215.41011	3.6
221.06683	5.2
229.64767	4.7
239.05502	4.8
243.06622	12.4
245.10872	23.2
269.10916	6.3
287.05560	14.3
287.11801	9.3
350.12546	6.4
392.13379	7.0
449.16901	8.0
467.18375	7.2
482.23166	4.7
509.19177	4.7
569.12872	25.2
569.22510	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	569.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01381	2.0
65.70045	0.2
69.03471	0.2
69.68542	1.2
71.01384	1.7
72.99326	0.2
73.02953	1.2
73.79424	0.2
74.02470	1.0
75.00883	6.4
75.29775	0.2
83.01402	0.3
85.02962	1.0
87.00892	0.5
89.02451	1.2
93.03477	0.5
96.96032	0.5
98.19971	0.3
99.00887	0.4
99.04529	0.2
99.92593	7.9
100.92584	0.4
101.02457	1.2
111.00850	0.2
111.99923	0.2
113.02473	0.7
116.92873	100.0
117.01953	1.7
117.92880	2.8
121.02974	1.6
128.03532	0.3
135.04535	0.5
137.02477	0.4
149.02449	0.3
150.03242	0.4
161.02484	0.3
161.04604	0.3
162.03302	0.2
165.05634	0.2
166.02707	0.3
173.04523	0.5
179.03517	0.4
181.01524	0.2
181.05046	0.2
191.05655	0.7
195.06519	0.3
521.20233	0.4
532.68073	0.2
533.30054	1.1
569.22986	0.3
569.31958	9.0
570.32495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.3
61.98838	7.7
64.71899	2.7
67.45589	2.6
70.81369	4.6
71.01387	16.1
73.02943	3.3
75.00883	8.7
79.95741	2.7
83.01377	3.2
85.02969	11.2
87.00883	4.0
89.02454	10.6
91.30740	2.4
92.34541	2.6
93.03477	4.6
96.96013	19.4
101.02460	11.4
101.46199	2.7
104.27868	2.6
105.50739	2.4
109.02966	2.9
111.00899	3.7
113.02476	6.2
119.03496	3.2
121.02943	3.1
134.03783	2.9
135.04482	6.3
137.02434	3.7
149.02467	6.1
159.30385	2.3
161.04538	2.9
164.04857	6.1
173.04619	4.2
177.35538	2.6
179.03523	5.1
179.05620	4.3
179.07108	6.1
191.05614	6.1
205.05157	2.7
209.08130	7.0
228.94307	3.0
245.84488	2.4
279.06650	4.7
353.10312	10.5
361.18597	9.5
371.24368	16.6
390.45926	3.1
515.28571	5.0
533.29724	100.0
534.29852	9.6
569.26953	74.3
570.27704	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	569.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.4
59.01381	45.3
61.98840	32.0
68.95441	4.3
69.62872	18.4
69.63280	9.8
69.70231	4.4
71.01394	34.1
74.02489	6.0
74.31589	4.4
75.00899	4.9
78.95902	9.3
83.01413	4.7
85.02946	17.0
87.00885	7.4
88.98788	7.7
89.02451	26.5
93.03464	19.2
96.96011	17.9
97.06560	6.5
101.02437	18.2
108.02187	5.6
109.02966	5.4
111.00848	5.9
113.02443	12.9
116.92854	5.5
119.03525	10.8
120.99656	11.9
121.02940	8.9
135.04504	12.2
137.02444	14.4
141.09254	7.9
143.65555	4.5
145.02969	5.0
149.04475	4.8
152.99567	8.4
161.02419	7.2
161.04634	5.4
161.06133	4.2
163.04015	10.5
173.04570	17.5
179.03569	6.8
179.05609	11.9
190.02715	16.0
191.05618	24.4
197.04546	6.6
205.05022	13.6
256.96002	6.0
257.71506	5.1
275.19730	5.5
314.71249	5.3
335.22253	51.7
353.23270	34.6
363.20346	6.7
373.07590	4.8
473.46918	4.8
515.28613	17.0
533.29736	90.3
534.29669	5.9
569.26831	100.0
569.35370	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	569.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86070	6.7
59.01115	6.3
59.01388	100.0
61.98838	82.4
65.05827	6.0
65.40038	5.5
68.32140	6.6
71.01376	19.8
71.56178	8.0
75.00866	7.1
76.90060	6.6
85.02957	11.4
89.02440	11.7
93.03474	14.2
96.96004	26.8
101.02431	13.1
103.81185	6.6
108.11146	6.0
108.23722	5.4
110.55138	5.6
111.00916	7.2
113.02471	13.7
119.05019	8.6
127.25259	6.6
135.04462	13.2
136.01627	7.7
137.02495	11.1
159.04529	6.3
200.63919	6.4
569.31781	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	571.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37288	0.2
59.01381	2.9
61.98832	0.6
64.98049	0.2
69.42932	0.9
69.43355	0.9
71.01391	2.4
72.99328	0.5
78.95905	1.2
79.95746	2.6
85.02967	0.8
87.00868	0.2
89.02457	2.9
96.96021	100.0
97.50988	0.2
101.02469	1.6
109.02947	0.6
113.02462	0.9
126.13312	0.2
131.03508	0.8
135.04546	1.8
143.16341	0.2
149.04562	1.6
149.05956	0.5
150.03223	0.3
150.75813	0.2
155.48235	0.3
161.06049	0.3
165.05594	0.4
173.04530	0.4
177.05508	0.3
178.20859	0.2
179.03448	0.3
179.05626	0.3
189.05556	0.8
191.05669	0.8
195.06648	0.3
203.48782	0.2
207.06607	0.6
294.45892	0.3
346.86746	0.2
353.08884	0.4
361.12704	0.3
413.11035	0.9
434.51120	0.2
473.13416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.50048	1.0
57.52520	1.1
57.91974	1.2
58.98652	1.4
59.01376	1.8
61.98817	1.2
64.38370	1.0
64.79621	1.0
69.03416	1.2
71.56035	2.3
78.95913	80.9
85.94556	1.0
92.46636	1.2
96.96012	2.4
96.96967	15.5
99.89883	1.0
118.24445	1.1
149.64763	1.1
150.97922	1.1
152.99599	73.3
223.00169	1.9
241.01195	32.5
243.82388	1.2
255.23322	81.8
256.23645	3.1
273.77219	1.2
288.91257	1.1
315.04840	11.4
325.65015	1.2
336.41302	1.3
341.99854	1.2
391.22601	5.4
409.23672	2.9
459.25076	1.2
542.13672	1.1
571.28925	100.0
572.29712	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	571.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58750	2.2
59.01388	15.7
61.98827	4.4
68.09615	2.3
69.37938	18.0
71.01388	18.9
73.02954	7.1
75.00881	3.5
85.02940	6.4
87.00915	2.7
89.02449	7.8
96.96039	8.2
101.02467	15.9
105.69042	2.2
108.02181	3.2
113.02454	7.7
116.51852	2.9
119.01394	2.3
119.03545	4.6
121.80818	2.2
125.77389	2.3
135.04558	4.0
161.04539	8.4
173.04501	5.9
179.05629	4.3
190.02875	2.7
201.15021	2.7
205.05125	3.3
215.12886	4.4
239.64101	2.3
319.17728	5.2
333.19232	4.6
349.07208	5.4
361.18689	3.4
363.20267	100.0
364.20578	4.8
378.37180	2.8
403.02139	2.7
449.14240	3.0
469.11032	3.3
517.29657	3.3
535.31451	59.9
536.31348	5.8
553.09662	6.6
571.10529	10.0
571.29224	71.8
572.29706	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	575.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77029	1.1
57.03458	1.9
59.01388	5.0
61.98809	1.4
67.01891	1.2
69.03465	10.7
69.48929	2.6
69.49352	4.6
71.01378	2.0
71.05038	3.4
78.01448	0.9
79.73462	1.1
83.05024	1.1
95.01366	1.3
95.24380	1.0
96.96004	1.0
97.06569	1.1
103.85463	1.0
104.23138	0.9
116.29372	1.0
123.08187	2.1
125.09739	3.8
141.44109	1.0
146.08217	1.5
151.11339	6.4
153.12920	1.8
154.69121	0.9
161.09720	12.2
179.10800	41.8
180.11217	1.6
197.11852	100.0
198.12163	2.0
223.09827	6.0
241.10834	14.7
277.12253	2.9
277.21756	70.7
278.22092	3.1
297.13440	12.0
315.14502	26.2
316.14941	1.2
463.94104	1.4
575.35944	86.6
576.36090	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	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73513	0.1
59.01385	18.0
61.98824	0.5
62.63736	0.1
71.01409	0.2
72.43787	0.1
76.04198	0.1
78.95913	7.2
80.96529	0.2
83.05022	0.1
96.96958	0.2
98.19861	0.3
127.07672	0.3
152.99622	1.5
159.66113	0.1
160.35027	0.1
168.04306	2.0
224.06897	1.0
233.22717	0.5
242.08034	3.4
243.08302	0.2
259.20630	0.4
271.25754	0.2
275.20224	0.4
277.21747	100.0
278.22116	5.0
285.37717	0.2
502.29459	30.8
503.29764	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	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86285	0.4
59.01387	25.5
68.77870	0.4
70.79843	0.9
78.95913	26.8
80.34504	0.5
80.98376	0.4
82.34643	0.5
99.18432	0.4
152.99590	4.3
168.04312	3.7
196.86559	0.4
208.61497	0.4
224.06944	9.1
233.22746	0.8
242.08069	2.4
253.97308	0.4
259.20737	0.7
275.19952	0.4
277.21744	100.0
278.22061	4.5
326.82703	0.5
502.29459	76.6
503.29776	5.6
576.25519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1208
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.00972	0.8
57.03440	1.8
59.01386	18.8
61.98833	1.2
63.02401	2.2
65.00327	1.4
65.69815	0.9
71.01389	10.7
71.56617	1.7
72.99291	2.3
73.02930	2.2
83.01399	2.2
85.02950	8.1
87.00838	1.5
89.02461	10.0
93.03461	4.4
95.01363	1.1
96.96000	2.8
101.02443	6.2
107.01392	1.5
109.02957	1.0
111.04508	1.0
113.02452	4.5
117.03442	2.6
119.03505	3.4
121.02990	1.2
135.04497	3.1
137.02458	1.1
147.04498	3.3
148.01732	1.1
149.02391	2.3
149.06076	1.3
151.00330	4.0
159.04485	3.2
160.05261	1.5
161.02480	2.6
161.04541	1.6
162.03136	1.4
163.03909	0.9
164.04787	1.6
165.01926	0.8
173.04568	7.4
178.06282	1.5
179.03471	2.5
179.05481	1.2
183.04361	0.9
191.01869	2.0
191.05577	8.6
197.05916	1.4
199.03957	1.6
201.05519	0.9
203.03563	1.4
213.01804	1.0
225.05525	1.1
227.03452	2.0
239.03439	1.9
240.04230	2.3
241.04796	0.9
243.02919	2.7
243.06590	1.0
255.02963	3.2
267.02887	1.5
268.03778	24.8
268.06839	0.9
269.04565	100.0
270.01666	1.0
270.05081	4.8
271.02521	15.3
272.02982	1.2
282.04861	1.0
283.09634	1.1
285.04077	2.1
293.08069	1.2
298.98636	1.9
299.01990	34.7
300.02478	4.1
311.05515	1.0
313.03519	3.1
314.04343	27.9
315.04871	2.8
328.05713	1.1
329.06677	80.5
329.13773	5.7
330.06876	4.7
371.07675	1.3
383.07785	1.1
384.07990	2.2
385.08124	3.1
475.70560	0.9
491.11710	2.9
517.29584	1.0
533.13037	85.1
534.13434	6.3
539.34088	1.2
577.15515	53.0
577.29767	2.4
578.15674	4.0
578.23743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.2
57.03468	2.1
59.01386	19.0
60.01720	0.7
61.98842	1.8
62.32872	0.7
67.16565	0.6
71.01392	12.6
72.99348	2.2
73.02987	3.0
75.00898	2.1
83.01420	2.1
83.05112	0.7
85.02964	9.0
85.55767	0.7
86.00146	1.3
87.00879	11.4
87.01356	0.8
87.04562	0.8
87.29147	0.6
89.02444	7.8
89.04008	2.7
93.03490	2.9
95.01421	1.2
96.95993	3.5
97.02988	1.3
98.20630	2.6
99.00926	1.7
101.02449	9.4
101.03006	0.8
106.04276	1.0
108.02211	0.8
109.02972	1.6
111.00915	2.5
112.98814	3.9
113.02458	6.7
117.03476	7.7
119.03493	3.8
119.05058	0.7
121.02975	1.8
123.00947	0.8
124.01656	0.9
125.02412	3.2
129.01982	1.6
133.03023	1.3
134.03757	83.0
135.04466	2.8
137.02458	3.2
142.99904	1.5
143.03490	1.5
145.01476	1.0
145.02853	0.8
147.03061	1.4
147.04535	1.0
149.02483	0.9
149.04868	1.1
149.06090	9.4
150.03232	0.8
151.00420	1.8
152.01138	1.1
153.01978	1.0
153.05594	1.9
161.02464	2.1
161.04613	3.3
161.05777	0.7
163.04018	6.9
164.04803	1.1
165.05620	1.5
166.02710	2.3
173.00974	1.9
173.04631	4.3
173.05817	0.7
175.04045	2.2
176.04793	1.4
177.05467	1.5
178.02747	7.8
178.06389	6.6
179.03467	0.9
179.05647	1.4
179.07101	1.2
181.05118	3.8
187.04008	2.0
189.05487	1.0
190.02768	1.8
191.01979	1.4
191.03535	2.7
191.05638	6.6
191.07175	1.6
192.05910	1.0
193.05072	100.0
193.08664	7.7
194.05473	3.2
197.02492	1.7
199.04021	2.6
202.06482	0.8
203.03523	2.3
204.04263	1.3
205.05051	2.0
206.05885	1.3
207.06732	0.9
208.07391	3.0
209.08072	0.7
215.03499	5.5
217.05090	1.0
219.02972	2.5
221.04451	1.1
221.08159	1.6
223.09737	4.5
225.01936	1.1
226.03081	0.9
227.03522	7.2
229.32213	1.2
230.05846	1.7
231.03061	1.2
232.03757	1.2
234.05247	1.5
237.07574	0.9
243.03001	11.5
246.05331	1.0
247.02525	1.5
247.06134	2.4
249.07703	5.8
257.04547	1.0
258.05386	7.9
261.07590	2.9
262.04846	2.6
265.07178	1.3
267.06781	0.9
268.03754	0.8
269.04507	2.5
273.07697	16.3
277.07138	5.7
279.08762	14.5
291.08746	6.6
298.16782	0.8
321.09647	1.1
337.09186	7.4
355.24948	0.7
365.08633	2.2
383.09671	2.5
401.10944	6.4
512.76746	0.7
517.29572	2.7
535.27405	3.1
539.34698	0.9
540.17694	0.8
577.15393	25.7
577.28040	4.0
578.15918	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	577.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.7
59.01386	55.5
70.37008	2.9
71.01391	14.3
71.42778	0.8
72.99306	2.3
73.02957	5.2
83.01411	0.9
85.02959	8.8
89.02449	10.0
101.02456	7.0
103.04019	2.9
113.02473	4.0
117.03467	7.3
119.03500	3.2
127.62798	0.7
131.01419	3.2
142.10071	0.9
161.04602	1.1
163.04092	0.9
173.02463	1.8
175.00401	9.5
179.05623	1.5
237.05586	1.1
239.07057	0.8
243.95024	0.8
249.05620	1.0
269.04556	7.6
281.04617	8.6
282.05411	6.5
283.06152	7.7
293.04587	100.0
294.04984	5.4
294.18567	0.8
295.06006	4.7
295.87277	0.9
307.06091	1.0
310.04831	1.0
311.05652	12.1
312.05911	1.3
314.04312	3.9
323.05600	9.9
334.04611	0.9
335.05527	3.8
341.06680	8.8
353.06665	2.9
355.07901	1.3
413.08801	47.6
414.09277	4.2
431.09662	0.9
457.11514	5.3
517.26398	4.1
535.27698	2.7
577.15643	99.2
578.15894	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	577.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03447	2.3
58.00594	1.6
59.01386	71.0
68.09583	0.8
69.45352	4.7
69.45773	1.9
71.01386	24.8
72.30418	0.8
72.99312	2.3
73.02951	8.6
83.01391	3.6
85.02960	9.4
87.00870	2.1
87.02215	1.0
89.01931	1.5
89.02456	19.2
90.75501	0.8
93.03448	2.5
95.01406	2.6
96.96030	2.2
99.00881	1.4
101.01807	0.8
101.02457	15.5
103.03995	1.1
110.38289	0.8
111.00856	1.1
113.02465	16.0
117.03471	5.7
119.03504	6.6
125.02415	1.4
131.01398	0.9
131.03487	1.4
135.04515	2.9
137.02472	1.3
141.93541	0.8
143.03467	2.4
159.04538	1.1
161.02423	2.6
161.04570	4.6
163.04039	1.7
173.02477	0.9
173.04556	2.4
175.00415	5.0
175.03922	2.0
177.01976	1.0
179.03497	1.5
179.05588	4.4
189.02072	1.0
191.05594	4.7
197.06055	0.9
203.03441	1.7
205.05031	1.0
205.46690	0.9
221.04529	1.0
243.06488	1.1
269.04480	3.1
281.04501	3.1
282.05359	4.7
282.92542	0.8
283.06146	4.7
293.04593	39.9
294.04913	3.1
295.06113	5.8
296.06824	1.2
297.07663	9.9
307.06046	2.0
309.04312	1.2
309.07654	2.1
311.05597	8.7
314.04434	2.3
323.05692	6.9
324.06262	1.2
325.07184	6.9
328.06006	1.6
335.05728	2.2
337.07034	1.8
341.06668	4.0
353.06619	23.1
354.07224	1.2
355.08200	2.1
365.06583	3.5
365.11066	0.9
383.07767	14.0
384.07858	2.0
395.07669	1.5
403.09891	1.1
413.08762	21.5
414.09103	1.5
457.11401	10.9
464.88013	1.0
472.09525	1.3
473.10428	2.4
487.12363	2.7
517.26581	16.1
518.26654	1.3
535.27502	11.8
536.28125	1.1
577.15631	100.0
578.16187	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	577.1567
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
55.01907	1.2
57.03468	2.1
59.01386	19.0
60.01720	0.7
61.98842	1.8
62.32872	0.7
67.16565	0.6
71.01392	12.6
72.99348	2.2
73.02987	3.0
75.00898	2.1
83.01420	2.1
83.05112	0.7
85.02964	9.0
85.55767	0.7
86.00146	1.3
87.00879	11.4
87.01356	0.8
87.04562	0.8
87.29147	0.6
89.02444	7.8
89.04008	2.7
93.03490	2.9
95.01421	1.2
96.95993	3.5
97.02988	1.3
98.20630	2.6
99.00926	1.7
101.02449	9.4
101.03006	0.8
106.04276	1.0
108.02211	0.8
109.02972	1.6
111.00915	2.5
112.98814	3.9
113.02458	6.7
117.03476	7.7
119.03493	3.8
119.05058	0.7
121.02975	1.8
123.00947	0.8
124.01656	0.9
125.02412	3.2
129.01982	1.6
133.03023	1.3
134.03757	83.0
135.04466	2.8
137.02458	3.2
142.99904	1.5
143.03490	1.5
145.01476	1.0
145.02853	0.8
147.03061	1.4
147.04535	1.0
149.02483	0.9
149.04868	1.1
149.06090	9.4
150.03232	0.8
151.00420	1.8
152.01138	1.1
153.01978	1.0
153.05594	1.9
161.02464	2.1
161.04613	3.3
161.05777	0.7
163.04018	6.9
164.04803	1.1
165.05620	1.5
166.02710	2.3
173.00974	1.9
173.04631	4.3
173.05817	0.7
175.04045	2.2
176.04793	1.4
177.05467	1.5
178.02747	7.8
178.06389	6.6
179.03467	0.9
179.05647	1.4
179.07101	1.2
181.05118	3.8
187.04008	2.0
189.05487	1.0
190.02768	1.8
191.01979	1.4
191.03535	2.7
191.05638	6.6
191.07175	1.6
192.05910	1.0
193.05072	100.0
193.08664	7.7
194.05473	3.2
197.02492	1.7
199.04021	2.6
202.06482	0.8
203.03523	2.3
204.04263	1.3
205.05051	2.0
206.05885	1.3
207.06732	0.9
208.07391	3.0
209.08072	0.7
215.03499	5.5
217.05090	1.0
219.02972	2.5
221.04451	1.1
221.08159	1.6
223.09737	4.5
225.01936	1.1
226.03081	0.9
227.03522	7.2
229.32213	1.2
230.05846	1.7
231.03061	1.2
232.03757	1.2
234.05247	1.5
237.07574	0.9
243.03001	11.5
246.05331	1.0
247.02525	1.5
247.06134	2.4
249.07703	5.8
257.04547	1.0
258.05386	7.9
261.07590	2.9
262.04846	2.6
265.07178	1.3
267.06781	0.9
268.03754	0.8
269.04507	2.5
273.07697	16.3
277.07138	5.7
279.08762	14.5
291.08746	6.6
298.16782	0.8
321.09647	1.1
337.09186	7.4
355.24948	0.7
365.08633	2.2
383.09671	2.5
401.10944	6.4
512.76746	0.7
517.29572	2.7
535.27405	3.1
539.34698	0.9
540.17694	0.8
577.15393	25.7
577.28040	4.0
578.15918	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	577.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
57.03452	1.7
58.00598	1.1
59.01382	31.7
61.98832	5.9
67.01888	2.7
69.64175	3.3
69.64584	2.7
71.01389	16.2
72.99325	1.1
73.02950	2.2
75.00862	1.9
81.03493	1.3
83.01382	2.0
83.05022	2.1
85.02947	8.8
87.00877	18.5
89.02457	13.6
93.03468	18.5
93.74735	1.0
95.01425	1.0
96.96012	2.7
97.06610	1.5
99.00925	1.1
99.04601	1.3
101.02435	8.1
108.02163	2.4
109.02968	2.6
111.00914	5.0
111.04542	3.5
113.02464	6.5
119.03542	6.7
119.05032	1.4
121.02946	1.8
123.00902	5.4
124.01658	4.1
125.02460	1.6
127.03949	0.9
132.02155	2.4
133.02942	1.3
134.03795	2.3
135.04517	3.4
136.01683	15.2
137.02460	6.8
138.03200	1.8
139.00397	1.7
139.04030	1.4
143.03549	2.7
145.02916	1.5
147.04494	2.8
149.04651	1.0
149.06058	1.5
151.00354	4.9
151.04030	15.5
152.01132	4.7
153.01952	1.9
155.03479	3.8
159.04520	2.8
160.01677	7.0
161.02388	2.6
161.04543	1.4
163.04033	3.6
164.04825	2.3
165.05630	5.7
166.02727	19.1
167.03494	3.3
171.04416	1.3
171.10229	1.8
172.05296	2.5
173.00951	2.3
173.04576	40.6
173.06023	4.4
174.06854	1.8
175.03996	8.2
175.07666	2.0
176.08379	1.3
178.02716	1.1
179.03494	1.7
179.05618	3.9
179.07162	3.8
181.05074	20.1
182.03717	1.5
185.05963	1.1
186.06888	6.2
187.07657	5.6
190.06421	2.7
191.05627	33.1
191.07152	3.3
193.05031	2.1
193.12285	2.1
195.06590	1.4
200.04736	3.6
201.05571	5.7
201.09196	2.3
202.06430	1.9
203.03520	1.1
203.07103	2.9
205.08658	1.1
208.50877	1.0
211.07568	3.3
211.13309	1.4
214.06369	10.1
215.07092	6.1
225.15007	1.3
227.07384	1.3
229.08713	8.5
230.09369	2.1
231.10266	1.1
242.86772	1.1
253.09212	4.2
255.14081	1.1
274.08405	1.9
283.13470	5.2
306.11182	1.1
309.14874	2.7
311.12906	4.0
315.16040	2.2
325.10715	1.4
327.15909	4.4
337.09207	1.7
340.12894	1.6
341.17749	1.3
341.18915	1.7
341.23282	17.5
342.23410	1.2
343.11807	3.3
343.15399	1.9
355.15543	1.2
355.25046	1.7
358.14194	9.7
359.14743	2.1
359.18689	4.8
371.15012	14.3
373.16577	100.0
374.16898	6.4
385.16428	4.7
403.17645	10.8
416.36523	1.0
432.75415	1.0
473.92773	1.0
517.30121	4.3
533.29773	3.1
545.20734	2.0
576.85083	1.1
577.23553	4.2
577.33057	2.3
577.41919	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29284	0.5
59.01387	1.0
63.96242	1.4
68.02325	0.5
70.06880	1.0
70.07276	1.2
71.01388	8.7
72.99302	0.6
73.02952	1.7
78.98607	7.1
79.95744	12.2
80.96524	81.9
81.03430	0.7
85.02956	2.4
87.00905	3.3
94.98095	18.5
96.96010	1.4
97.02955	2.2
97.90926	0.5
98.19996	0.7
99.56533	0.5
101.02458	3.6
106.98089	3.7
116.70625	0.5
121.74078	0.5
122.97598	6.3
125.02464	4.0
127.04087	0.9
134.97597	6.7
136.99141	2.0
148.99161	8.2
152.98647	9.4
164.98639	12.6
167.00250	0.6
182.99744	2.4
206.99715	3.3
225.00748	19.9
243.01793	1.6
277.21802	2.2
279.23322	2.0
299.04407	2.6
313.09213	0.6
317.05032	0.5
373.39005	0.5
448.41425	0.5
577.26904	100.0
578.27094	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	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84053	0.5
56.00249	0.4
59.01382	1.1
61.98841	4.1
63.96239	1.3
68.55186	0.4
69.03463	0.8
69.90532	2.1
71.01392	7.0
73.02947	1.5
78.98596	5.8
79.87768	0.4
79.95749	9.0
80.96528	62.9
81.03464	0.6
83.01389	0.4
85.02967	2.6
87.00883	1.7
94.98096	13.8
96.96023	1.2
97.02969	1.1
98.19984	0.7
98.20550	1.0
99.00913	0.6
101.02452	2.4
106.73833	0.5
106.98076	2.4
122.97600	2.7
125.02499	2.1
127.04052	0.7
134.97612	4.4
136.99176	1.1
148.99162	5.2
152.98651	4.5
164.98647	9.5
167.00145	0.5
174.74858	0.4
206.99681	1.7
225.00769	12.2
236.91240	0.4
277.21765	1.6
299.04385	2.3
316.01617	0.4
362.42108	0.4
456.00067	0.4
544.96112	0.4
577.26904	100.0
578.27155	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14969	0.3
51.56444	0.4
53.67897	0.3
55.01877	1.1
57.03455	2.2
58.00606	2.0
59.01387	100.0
60.01725	0.9
61.98829	0.4
67.01888	0.4
69.03452	0.6
69.76224	1.7
71.01390	42.9
72.01731	0.7
72.99306	2.5
73.02955	10.8
75.00874	0.5
81.03479	0.7
83.01398	4.2
84.02210	0.5
85.02964	14.0
87.00893	3.2
89.02456	31.7
92.71936	0.3
93.03469	2.2
95.01404	4.1
96.96036	0.7
97.02958	0.6
99.00891	1.3
99.04549	1.1
100.80862	0.4
101.02456	24.1
109.02971	0.8
111.00895	1.1
111.04534	0.5
113.02465	27.6
114.02863	0.3
117.03496	1.0
119.03523	11.2
119.04332	0.7
119.04887	0.4
120.99679	1.0
121.03000	0.3
122.86292	0.3
123.00887	0.4
123.04542	0.4
125.02460	1.6
127.03997	0.4
131.03532	2.5
133.03001	0.8
135.04530	2.0
137.02470	1.2
139.04045	0.4
143.03520	4.4
145.02942	0.4
147.04573	0.8
148.05190	0.3
149.04608	2.1
151.03938	0.4
153.01965	1.6
155.03575	0.7
159.04466	0.3
161.02495	2.8
161.04562	6.0
162.03169	0.4
163.04022	0.4
165.54735	0.4
167.03622	0.6
173.00975	0.4
173.04564	2.8
175.00475	0.6
175.04047	1.1
179.03618	2.1
179.05620	6.8
179.07132	0.3
182.02243	0.3
191.05634	14.9
191.07349	0.8
192.06038	0.7
218.02361	0.5
219.03018	1.3
223.06013	0.4
233.04539	0.6
253.04979	0.3
269.04517	0.5
277.74942	0.4
281.04477	0.5
282.05371	0.9
283.05841	1.0
293.04657	1.3
295.06219	0.6
296.06854	0.5
297.04361	0.7
297.07648	1.7
298.07544	0.4
311.05460	1.6
315.12958	0.4
323.05637	0.6
325.07187	0.8
334.13681	0.3
353.06223	3.2
355.21298	1.1
359.11383	0.5
365.06595	0.4
383.07742	3.4
384.07697	0.8
385.08862	2.9
395.07715	0.4
403.09952	0.4
413.08893	0.6
413.45523	0.3
457.11493	1.6
473.10355	0.4
487.12561	0.5
502.43396	0.4
517.26581	30.5
518.26819	2.4
535.27600	19.4
536.27972	1.3
549.30444	0.4
577.15686	14.7
577.29059	1.8
578.16028	1.4
578.27826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.59312	0.2
57.03448	1.8
58.00605	1.9
59.01388	100.0
60.01721	0.8
67.01900	0.5
69.03461	0.5
69.40066	1.8
71.01393	44.5
72.01733	0.3
72.92741	0.2
72.99319	2.8
73.02956	10.4
75.00887	0.5
81.03480	0.3
83.01403	4.1
84.02180	0.3
85.02966	13.3
86.03280	0.3
87.00889	3.0
89.02457	34.3
90.02776	0.3
93.03484	1.4
93.10281	0.2
95.01405	4.2
96.95460	0.2
96.96005	1.2
97.02975	0.8
99.00884	1.5
99.04562	1.0
101.02461	24.3
109.02976	0.6
111.00906	0.6
111.04513	0.2
112.01624	0.2
113.02467	27.4
114.02785	0.6
117.03519	0.4
119.03519	12.8
120.99681	0.9
123.00896	0.3
124.01609	0.2
125.02473	1.6
126.51534	0.2
128.03572	0.3
129.01923	0.4
131.03523	2.7
133.02977	0.5
134.03778	0.4
135.04535	1.8
137.02460	0.6
139.03995	0.2
143.03516	4.0
145.02939	0.3
147.04573	0.4
149.04578	1.6
153.01945	0.4
155.03510	0.3
159.04480	0.3
161.02527	2.8
161.04565	6.5
163.04062	0.4
167.03580	0.3
173.04572	2.7
174.03218	0.2
175.04005	0.3
179.03687	1.4
179.05638	6.1
191.01984	0.3
191.03891	0.2
191.05627	7.1
192.06075	0.4
209.03078	0.3
223.06210	0.3
247.32152	0.2
269.04474	0.3
281.04578	0.4
282.05292	0.4
283.06046	0.8
285.88077	0.2
293.04572	0.6
295.06097	0.4
297.04242	0.4
297.07639	0.8
311.05649	1.4
318.66776	0.3
323.05664	0.3
325.07062	0.4
341.06577	0.3
352.18686	0.3
353.06647	1.0
355.21387	1.1
365.07312	0.2
373.22394	0.5
383.07901	1.1
384.08084	0.3
385.08929	1.5
397.22104	0.3
403.10342	0.3
413.08911	0.3
457.11606	0.5
469.25305	0.2
487.12750	0.3
517.26587	26.5
518.26837	2.7
525.97540	0.2
535.27667	18.1
536.27557	1.3
577.15643	7.1
577.28723	2.2
578.15869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13444	1.1
59.01150	1.2
59.01385	13.8
60.28247	1.2
61.98827	2.7
71.01383	3.6
71.55649	1.4
80.96557	1.1
85.02942	1.4
89.02445	3.3
90.34113	1.1
92.72377	1.2
96.96030	2.1
101.02479	2.3
108.02194	12.3
109.02969	3.8
113.02473	1.9
120.63003	1.3
132.66856	1.2
152.01196	7.7
153.01962	3.3
173.04182	1.1
184.21436	1.1
235.08228	1.6
253.09319	14.4
258.64621	1.1
281.24869	100.0
282.25253	5.4
299.04355	3.6
577.30060	14.5
578.29962	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	577.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63658	0.8
58.96195	0.7
59.01385	13.8
66.79805	0.7
69.69402	0.7
71.01394	2.1
71.90491	0.9
73.37920	0.8
80.96528	2.2
89.02460	2.4
96.96039	1.9
101.02454	2.7
102.53716	0.8
142.42117	0.8
145.06157	0.9
160.06027	0.8
196.25293	1.0
200.78194	0.8
235.08226	2.0
253.09320	12.8
281.24887	100.0
282.25195	5.2
299.04364	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	577.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17636	1.3
55.51996	1.3
57.03460	1.7
59.01345	2.1
61.79338	1.5
61.98817	2.7
69.03458	12.0
70.96674	3.2
71.01380	2.1
71.05020	3.3
97.06622	1.9
97.65186	1.4
110.18525	1.4
113.22710	1.6
123.08128	2.4
125.09722	6.3
149.09737	1.9
151.11292	9.6
153.02274	1.4
153.12851	2.3
161.09726	12.9
167.45598	1.3
178.77065	1.5
179.10797	45.1
180.92616	1.6
197.11845	100.0
198.12172	4.0
223.09764	8.1
241.10832	17.7
260.40536	1.6
279.23318	87.3
280.23615	4.1
284.80322	1.7
297.13449	12.0
310.71295	1.4
315.14468	26.8
323.95609	1.6
326.50470	1.6
327.71854	1.7
490.54590	1.6
561.40869	1.7
577.37500	92.1
578.37793	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	577.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
61.98823	1.8
63.19157	1.8
69.03461	11.5
71.01397	2.8
71.05011	3.2
96.96011	2.1
98.20734	4.0
123.08192	2.9
125.09696	4.6
133.02956	5.2
151.11304	7.6
160.01546	1.8
161.09717	10.1
175.03989	6.0
177.91017	1.6
179.10796	43.2
197.11853	100.0
198.12144	2.9
205.42787	1.7
223.09749	5.8
229.50641	2.0
241.10797	14.8
279.23328	85.5
280.23572	3.9
297.13461	11.6
315.14496	21.8
424.56183	1.7
503.33792	4.7
538.73883	1.8
557.16553	1.7
577.37506	90.3
578.37793	8.0
596.01642	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	577.423
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
56.41524	0.7
59.01374	1.4
96.96042	0.9
98.20686	1.2
101.11939	0.8
111.83221	0.6
229.53462	0.7
259.20706	1.2
277.21753	100.0
278.22205	6.0
291.48669	0.7
577.42493	43.0
578.42780	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	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27401	0.5
69.28324	1.2
69.28735	4.0
71.01388	1.4
82.03706	0.5
88.20592	0.6
109.02945	2.5
111.00900	0.6
119.05025	0.6
125.02438	0.5
131.05106	0.5
133.02048	0.9
133.02975	11.6
134.03717	0.6
135.04509	1.7
137.02504	0.5
147.04475	0.7
149.02455	1.0
149.06091	0.5
151.03972	0.8
161.02495	1.1
163.04013	0.9
165.01874	0.5
175.04070	3.8
177.01973	2.8
177.05583	1.1
179.03497	1.1
189.05618	0.7
191.03473	1.2
201.01962	1.0
203.03462	1.9
205.01411	0.7
205.05009	0.6
213.05580	0.9
215.03357	0.6
217.05089	0.6
221.04457	0.6
225.05562	0.9
229.05258	0.7
231.03165	0.5
233.04623	0.8
239.07109	0.7
241.05110	0.6
245.04517	1.3
253.04965	0.6
255.06587	0.5
257.04556	0.6
267.06668	1.1
269.04669	0.8
269.08438	0.6
283.06277	0.8
293.04529	0.5
295.06152	0.9
297.04114	2.9
297.07278	0.5
298.04840	10.0
299.05627	2.9
309.04080	1.3
310.04532	1.0
311.05670	8.4
312.06451	10.4
313.07162	9.2
323.05649	2.8
324.06305	0.6
325.07251	2.4
327.05081	5.9
330.03876	0.6
338.04242	0.8
339.05084	13.8
339.09000	0.9
340.05426	1.2
341.06732	7.8
344.05124	1.0
351.05246	1.9
353.06708	3.8
357.06204	2.1
363.05151	0.5
365.06815	0.5
366.03772	0.6
367.04749	0.8
369.06189	48.2
370.06494	3.3
371.07690	1.1
381.06149	6.2
383.07751	1.3
393.06293	0.6
395.07266	0.6
399.07260	35.4
400.07623	2.2
411.07266	5.3
413.08768	0.8
423.06781	1.2
429.08258	7.9
435.07449	0.8
441.08289	3.2
453.08466	1.8
459.09418	10.8
460.09821	1.2
471.09473	2.6
474.77820	0.5
489.10452	33.8
490.10867	2.7
501.10361	0.8
519.11389	6.1
556.79260	0.5
561.12390	2.7
579.13605	100.0
580.13892	10.6
580.22858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1364
Annotation	Orientin 2''-O-beta-L-arabinofuranoside
Peak:m/z	Relative Intensity
54.41856	0.7
56.76763	0.7
59.01384	7.8
59.03593	0.7
61.98834	1.3
63.91980	0.7
69.42896	4.3
71.01394	4.8
80.44141	0.7
85.02963	1.3
89.02431	3.6
96.96017	5.6
98.19868	1.5
101.02438	1.2
109.02962	1.0
110.26331	0.6
116.05623	0.7
121.02957	1.7
130.40388	0.7
133.02966	10.8
134.03778	3.6
135.04539	1.3
145.66833	0.6
149.02428	1.4
161.02441	1.9
163.00407	2.3
165.01947	1.6
173.02440	1.2
173.49831	0.7
175.00383	3.4
175.04076	1.8
183.77011	0.9
187.04012	0.8
199.04042	0.8
201.02003	2.0
211.04083	0.8
225.05540	1.7
227.03435	0.8
231.85909	0.8
241.05022	0.8
245.78668	0.8
253.04982	2.0
255.02983	1.1
265.04874	1.0
267.02975	0.8
269.04544	2.1
270.05313	2.1
271.02649	0.9
281.04575	1.8
282.05295	1.8
284.03357	5.9
285.04059	11.2
286.04361	0.8
297.04065	17.9
298.04858	70.4
299.05450	9.9
309.04092	30.3
310.04538	1.8
311.05634	3.1
313.03375	0.9
325.03644	3.5
326.04398	2.5
327.05124	24.6
328.05463	1.4
330.03650	4.1
338.04355	2.6
339.05099	9.9
341.06540	1.2
351.05121	2.1
353.03201	1.5
357.06186	15.4
369.06076	4.1
381.06287	1.7
399.07141	0.9
411.07245	1.1
417.08243	1.3
429.08337	19.4
447.09549	2.5
459.09390	27.1
460.09473	2.6
461.21918	0.8
489.10474	1.5
561.12738	1.6
579.13617	100.0
580.13904	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	579.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09782	1.0
59.01384	5.0
61.98815	1.3
65.00311	1.2
69.24025	1.3
69.24417	9.8
71.01395	4.3
83.01399	1.2
85.02953	3.2
89.02443	1.9
98.19875	2.2
101.02435	2.2
107.01405	2.0
108.02187	10.0
108.72150	1.0
109.02948	1.8
111.00912	1.1
113.02454	3.0
119.01382	1.9
119.05049	4.2
121.02990	3.2
122.03763	1.9
123.00878	3.8
123.04517	5.7
124.01678	2.5
133.02925	1.6
134.03781	2.2
135.04529	2.8
136.01633	1.6
137.02504	7.6
137.06104	2.2
147.00912	1.2
149.02460	17.8
149.06113	1.0
150.03236	12.6
151.00375	15.5
151.03931	1.1
152.01251	1.7
152.04771	2.0
163.04053	5.3
164.04811	15.7
165.01897	1.4
165.05618	5.7
166.02739	38.6
167.03398	2.9
173.04535	1.1
175.00357	6.9
175.04010	1.6
176.01109	3.4
177.01901	4.6
177.05627	1.3
178.02739	58.5
178.06207	1.6
179.03360	2.4
179.07123	4.1
181.05086	47.8
188.04745	1.4
190.02751	17.2
191.03554	9.9
191.05275	1.8
192.04288	2.0
193.05077	100.0
194.05370	2.8
196.03766	1.1
203.07172	1.8
205.05087	14.9
206.05864	11.0
207.03027	2.6
207.06627	3.4
208.03789	3.6
209.04514	3.2
211.06113	3.8
221.08199	10.4
222.05316	2.2
223.06126	27.2
237.07649	3.4
247.06042	1.8
250.04840	3.8
251.05513	1.2
260.76144	1.0
265.07199	33.4
271.06146	3.2
281.06720	2.8
295.08206	10.9
311.07681	5.4
325.09320	18.1
327.05078	1.6
367.10059	1.3
371.09610	1.7
373.11414	1.8
385.11313	2.7
387.10925	8.4
402.13272	5.5
417.15576	60.5
418.16049	3.0
433.14868	2.0
480.91028	1.1
519.59167	1.1
579.17291	16.2
580.17657	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	579.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.4
60.50544	1.0
63.64693	1.2
65.00337	1.1
71.01395	6.3
71.52035	2.0
83.01399	1.4
85.02951	2.4
87.53334	1.0
89.02460	1.9
91.01913	1.4
93.03501	1.7
95.01414	2.1
101.02451	2.9
105.96370	1.1
107.01363	2.6
108.02177	8.5
109.02950	4.9
111.00908	1.3
113.02481	2.1
119.01386	2.0
119.03564	1.3
119.05035	2.6
121.02941	2.4
122.03760	1.1
123.00922	6.1
123.04524	4.7
123.49960	1.2
124.01678	2.6
125.02509	2.3
133.02988	1.6
134.03737	1.5
135.04553	2.1
136.01697	2.1
137.02449	7.4
137.06041	1.6
147.04507	1.5
149.02451	17.2
150.03236	13.9
151.00388	19.9
151.03992	2.2
163.04027	7.0
164.04782	13.9
165.01927	1.9
165.05548	5.1
166.02725	42.8
167.03304	1.7
175.00351	6.7
175.03958	2.0
176.01157	3.2
177.01942	3.8
177.05632	1.5
178.02728	58.0
179.03429	2.3
179.07146	3.3
181.05077	54.1
182.05511	1.6
188.04913	2.0
190.02728	18.7
191.03520	9.5
191.05061	1.2
192.04192	1.3
193.05067	100.0
194.02211	1.4
194.05424	2.9
203.07147	1.7
205.05066	16.0
206.05817	11.9
207.03004	3.4
207.06650	1.8
208.03821	2.5
209.04541	5.2
211.06105	1.4
221.08165	11.4
223.06131	24.8
237.07637	4.1
247.06155	2.3
250.04762	4.3
251.05618	2.9
260.84781	1.4
265.07181	36.7
266.07568	2.1
281.06668	2.9
295.08289	12.0
311.07794	5.2
325.09323	19.9
327.05093	1.6
359.11365	1.8
371.09869	1.9
373.11673	1.2
385.11157	2.8
387.10855	12.0
402.13223	5.3
417.15573	69.6
418.15976	5.6
433.15292	2.3
579.17224	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	579.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38358	0.7
55.01873	0.6
57.03437	0.9
59.01382	6.8
66.85675	0.7
67.01885	0.6
69.25837	6.1
71.01389	6.0
71.61435	0.7
73.02953	2.1
74.84767	0.6
83.01379	1.1
85.02960	5.8
87.00877	2.2
89.02454	3.7
93.03458	1.4
95.01393	1.2
96.96025	8.1
101.02472	3.6
106.25126	0.6
109.02972	3.0
111.00900	1.4
113.02446	2.3
119.03452	1.0
123.00916	2.0
125.02461	1.5
131.03537	0.7
133.02945	3.1
135.04546	1.4
136.01678	1.1
137.02460	10.2
143.03563	0.7
149.02419	1.8
151.00383	15.8
151.04015	2.7
152.01170	1.6
152.04776	2.6
153.05536	0.9
161.02403	1.4
161.04558	1.5
163.04001	1.9
165.01880	1.3
166.02727	53.4
167.03514	3.1
173.02454	0.8
173.04552	1.5
175.04030	1.9
177.01959	3.5
179.03476	1.9
181.05083	67.6
182.05414	2.0
184.03676	0.9
189.05588	0.8
190.02737	0.8
190.06355	1.2
191.01974	1.2
191.03574	0.9
191.05676	2.0
192.04379	1.2
193.05013	0.9
203.03542	1.4
205.05032	0.9
205.08704	1.4
207.06821	0.6
218.19057	0.6
284.03287	1.6
285.04065	2.3
297.04099	5.8
298.04767	6.5
299.05600	3.2
309.04114	1.2
310.04440	0.7
311.05649	2.6
324.02652	1.2
327.05078	12.2
327.12329	2.2
328.05417	1.2
329.09860	0.7
339.05090	5.0
357.06189	6.7
359.11334	1.9
371.15073	0.8
387.10767	14.1
388.11072	1.3
399.07291	1.4
402.13229	6.9
405.59525	0.7
417.08566	9.1
417.15558	100.0
418.15958	6.2
489.10495	4.7
519.24438	1.9
579.13440	18.5
580.14038	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.9
61.98822	2.8
69.42494	1.5
69.42912	5.3
71.01384	5.2
72.99294	1.7
73.02961	1.4
75.00863	1.2
81.10119	0.8
85.02958	4.0
87.00886	1.6
89.02462	3.9
89.32374	0.8
93.03467	1.4
95.01402	1.5
96.96014	1.9
101.02441	3.2
108.02174	3.6
109.02960	3.3
111.00914	1.8
112.63811	0.8
113.02438	2.3
113.25096	0.7
116.92883	1.0
117.03460	0.8
119.03516	1.6
121.02938	2.7
122.03765	1.7
123.00923	4.0
123.04517	3.0
124.01708	1.5
125.02529	1.7
133.02974	1.4
134.03754	2.8
135.04527	2.2
137.02469	11.5
147.04582	1.3
149.02469	8.0
150.03267	7.3
151.00401	13.7
151.04054	1.1
152.01160	1.7
152.04800	2.2
153.01932	1.4
161.04584	0.9
163.03976	2.3
164.04846	5.9
165.01917	1.9
165.05537	2.3
166.02740	57.5
167.03416	3.8
173.02420	0.8
173.04527	1.9
175.00378	3.4
175.03972	2.1
176.01208	3.7
177.01904	4.1
178.02731	16.5
179.03453	1.9
179.07137	1.1
181.05090	69.9
182.05428	2.3
184.03726	0.9
190.02721	10.2
191.03516	6.1
191.05623	2.8
192.04295	1.2
193.05077	32.0
194.05318	0.9
195.12361	0.9
205.05098	9.1
205.08710	0.9
206.05814	3.0
206.73814	0.8
207.02994	1.3
207.06557	2.1
208.03780	2.3
209.04518	2.3
211.06154	3.0
221.08142	4.0
223.06134	7.6
235.02602	0.8
237.07703	1.7
250.04822	1.3
251.05646	1.2
265.04596	1.4
265.07172	10.5
266.72797	0.7
269.04471	2.6
270.04926	2.2
271.05139	1.2
279.06631	0.8
281.06741	1.4
282.04837	0.9
295.08325	3.5
299.05310	1.2
300.02328	1.1
311.07916	1.4
314.41946	0.8
316.05084	0.9
325.09399	6.8
327.05026	5.4
329.06647	1.8
330.07184	1.3
331.06970	1.6
343.21707	1.1
353.08661	1.7
357.06012	1.8
359.11432	1.6
361.16461	0.8
367.10471	0.9
373.11453	1.5
373.18994	1.1
387.10904	16.2
394.27316	0.8
398.48138	0.7
402.13239	7.6
417.08929	3.5
417.15582	100.0
418.15979	8.0
519.31744	1.2
535.13782	3.7
549.16199	2.8
561.16339	0.8
576.27698	0.7
579.17151	9.3
579.29700	1.0
594.92352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	2.7
59.01389	100.0
60.01697	2.4
60.77378	2.0
61.98832	2.5
63.60846	2.1
64.33512	2.4
71.01389	54.5
71.01906	4.5
73.02938	11.9
74.02497	2.1
75.00875	2.7
76.65367	2.1
80.87534	2.2
83.01404	5.7
85.02960	21.7
87.00879	3.5
89.02459	52.1
93.03477	5.6
95.01414	3.8
96.96021	31.1
97.64164	2.1
101.02451	31.5
106.91358	2.1
111.00866	3.0
113.02449	26.7
113.64082	2.3
119.03526	15.3
122.03779	2.1
122.17301	2.4
125.02384	3.6
133.02910	2.3
134.03773	3.4
135.04558	3.9
137.02489	2.8
143.03502	3.4
149.02493	3.7
151.04013	3.4
152.01253	3.0
161.04555	7.2
173.04579	4.6
175.04213	2.2
179.05708	5.7
181.05042	3.4
191.05609	6.1
245.09280	3.9
265.07230	3.7
285.03940	3.2
287.75217	2.3
293.04495	5.3
294.04919	5.1
295.05298	2.6
298.04803	12.0
353.06888	3.0
355.07480	4.0
357.06097	3.3
387.14075	2.3
399.07159	4.6
415.09277	3.5
417.11453	5.3
417.16568	2.9
475.21881	29.6
489.10205	2.9
493.22949	21.0
519.26526	3.6
537.28467	3.8
579.16125	44.4
580.16199	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	579.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25945	1.7
55.01892	2.6
57.03450	4.5
58.00596	3.1
59.01386	100.0
61.98838	22.3
68.99831	1.5
69.03431	2.0
71.01389	64.2
72.99318	4.3
73.02958	20.5
73.87792	1.4
75.00880	2.5
83.01408	9.9
83.05024	3.1
85.02962	20.0
87.00888	5.6
89.02455	44.0
90.65560	1.4
93.03476	6.8
95.01385	5.6
96.95989	7.7
97.02975	3.1
98.19845	3.7
99.00886	4.3
100.79546	1.7
101.02459	36.7
108.02158	2.3
109.02911	2.7
111.00900	2.7
113.02455	36.1
116.92804	2.2
119.03521	20.5
121.02949	2.8
123.04650	1.7
125.02467	4.6
129.01923	2.2
131.03497	2.9
134.03712	3.0
135.04533	4.2
137.02440	6.2
143.03499	6.3
147.04549	2.4
148.80060	1.7
149.02489	2.9
149.04533	1.9
150.03215	1.9
151.00386	1.6
152.01180	1.7
153.05591	1.9
159.04495	1.5
161.02480	2.4
161.04562	14.1
163.03992	2.3
165.05463	1.8
168.00702	2.1
173.04578	7.7
175.03931	2.6
177.05569	1.6
179.03712	1.4
179.04066	1.4
179.05630	10.7
181.05060	2.1
190.02765	2.8
191.05595	9.3
193.04994	3.5
196.03760	6.5
204.18120	1.9
205.05099	4.1
209.03038	1.9
211.06091	9.8
223.06119	2.3
325.07263	1.9
373.11707	1.7
387.14752	2.4
417.15604	13.8
417.24753	4.2
475.21729	6.3
491.26941	1.9
493.22977	13.4
519.31860	14.2
537.33264	2.9
579.13995	3.1
579.22516	2.4
579.31354	10.2
580.21906	1.8
580.32715	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	579.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31713	1.9
57.03456	3.0
59.01382	14.1
61.98815	3.2
69.70289	1.8
69.70636	11.9
70.81342	1.9
71.01376	8.9
71.33389	1.7
72.99301	3.5
73.02949	2.6
85.02960	27.5
87.00861	6.1
89.02451	5.0
93.03450	9.2
96.96020	23.4
98.19954	3.8
101.02462	5.1
109.02934	7.5
111.00898	4.8
113.02452	3.0
116.92895	2.6
119.03491	2.1
120.99615	3.4
123.00839	2.4
125.02464	2.2
129.46983	2.1
133.03015	11.2
134.03751	2.8
135.04518	3.8
137.02463	11.4
147.04518	2.1
149.02457	2.7
150.48582	2.1
151.03975	2.7
152.01135	2.4
159.04485	2.4
161.02505	3.6
162.50258	2.2
163.03951	2.8
165.05644	3.0
173.00877	4.2
173.04539	7.6
175.03983	3.8
177.01906	2.9
179.03517	4.9
189.05504	2.8
191.01964	7.0
191.05630	100.0
191.07382	4.9
194.05754	2.5
195.06544	3.1
195.91850	2.0
199.03900	2.5
209.02892	3.8
209.08069	2.7
297.03922	2.6
298.04733	7.8
299.05612	3.9
311.05615	8.6
312.06207	9.4
313.06961	7.0
323.05499	4.2
325.07016	2.8
327.05182	5.0
339.05182	13.4
339.08423	2.5
341.06693	7.4
351.05112	2.7
353.08536	7.6
357.12064	13.6
369.06131	44.5
381.06039	7.3
383.07950	2.3
387.10797	3.8
399.07144	36.2
411.07114	4.8
429.08133	5.7
441.07999	3.5
459.09320	22.4
489.10428	25.7
490.10748	4.0
519.11182	4.6
527.25146	2.5
561.12402	3.8
579.13507	91.9
580.13885	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	579.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.0
61.98826	16.4
62.17113	2.7
67.01878	6.4
71.01394	7.0
71.55824	4.7
78.95914	42.8
85.02979	5.8
87.00877	4.9
93.03465	39.2
96.96019	8.5
96.96989	3.7
111.00862	3.3
111.04521	8.1
119.05035	6.1
133.02966	9.0
134.03786	8.1
135.04526	10.3
137.02443	6.5
145.73405	3.3
152.99591	7.2
155.03526	3.3
160.93321	2.8
163.04074	4.3
171.00674	5.8
173.04564	100.0
177.01984	4.5
178.02774	7.0
179.03560	3.4
186.95457	3.2
191.05603	14.3
275.09204	9.2
289.18118	7.2
289.39679	2.9
307.19150	3.8
449.14514	8.5
579.13385	4.1
579.32281	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	579.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.5
61.98839	15.7
69.21799	20.3
69.22202	100.0
71.01390	12.3
93.03464	27.8
98.19918	19.8
100.55905	9.9
110.21792	10.9
173.04587	24.8
178.02734	20.6
253.09265	10.5
269.19778	10.7
275.09229	27.0
289.18237	16.1
307.19223	14.1
480.53546	12.9
579.13843	21.0
579.25366	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	61.7
59.57973	17.3
61.98821	60.5
67.01909	16.7
69.20024	72.8
69.20454	63.0
71.01369	21.7
85.02990	22.0
91.86551	16.0
92.76337	17.0
93.03464	70.1
93.03968	15.3
96.95992	75.3
119.05051	34.6
133.02956	16.3
134.03679	16.9
135.04523	22.7
163.03989	41.0
173.04573	100.0
174.04936	15.0
178.02650	27.5
195.72874	15.9
252.83420	16.1
270.78384	17.3
399.06824	21.2
561.12872	17.9
579.13354	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	78.5
61.98832	100.0
65.25024	14.2
65.51438	13.9
71.01359	27.8
71.55812	23.5
89.02413	17.6
93.03470	47.8
96.96043	34.5
113.02494	21.4
119.05076	35.8
122.86117	16.8
133.02963	45.6
134.03699	53.0
135.04524	23.6
163.04018	46.4
173.04552	74.8
177.01924	40.5
178.02721	53.4
191.05528	24.0
275.09259	63.2
307.19031	27.4
327.21643	20.9
346.26794	18.3
352.64905	17.3
491.46753	20.3
522.28125	21.5
579.13068	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59579	9.6
59.01387	97.6
60.99301	11.7
61.98841	83.3
63.60691	9.3
71.01396	38.5
71.12650	21.1
73.02958	10.6
78.95962	11.9
83.04990	12.2
85.02970	27.0
87.00928	17.0
88.98811	44.4
89.02493	17.5
93.03481	39.0
96.96020	44.0
98.82996	9.0
101.02475	29.4
113.02463	10.3
119.05048	36.4
135.04543	11.2
137.02420	13.8
151.00366	11.0
161.04523	11.2
163.04074	39.1
173.04585	65.5
177.02055	10.2
181.05057	17.6
191.05666	36.6
194.86279	11.5
227.61954	10.1
231.10011	12.5
242.30531	10.8
253.09201	26.7
283.08722	29.5
289.18127	100.0
298.04846	14.2
343.24854	12.1
369.06235	13.3
399.07224	13.4
489.10211	16.1
519.31372	12.9
535.31122	27.9
579.13641	31.0
579.25751	43.1
579.34692	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	579.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01381	0.8
63.96248	1.8
69.03458	0.8
70.78246	0.8
70.78599	0.5
71.01389	6.9
73.02958	1.8
73.24313	0.3
73.52148	0.3
74.85260	0.3
77.97446	0.4
78.86034	0.5
78.98593	6.4
79.95747	10.2
80.96524	65.1
85.02956	3.0
87.00874	2.7
88.83481	0.4
93.54483	0.5
94.97483	0.7
94.98093	14.1
95.01411	0.4
95.09129	0.4
96.96030	1.7
97.02947	1.1
101.02437	2.0
106.98095	3.1
113.02473	0.5
122.97591	3.1
125.02474	2.2
134.97589	5.4
136.99182	1.5
137.96086	0.4
146.97607	0.6
148.99178	5.3
152.98639	5.4
164.98647	10.3
165.00037	0.5
167.00163	0.5
206.49974	0.5
206.99658	2.1
209.57828	0.4
225.00760	12.5
227.37012	0.4
279.23328	1.6
299.04456	3.3
374.35489	0.6
537.95721	0.4
539.58466	0.5
579.28467	100.0
580.28839	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	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61868	0.2
54.80588	0.2
59.01378	1.4
59.83880	0.3
61.01825	0.2
61.98835	100.0
78.95905	1.0
89.81293	0.2
96.96024	0.6
98.20708	0.4
101.75823	0.2
104.99424	0.2
121.27280	0.2
138.47989	0.2
152.99585	0.5
171.16661	0.2
210.05626	0.2
229.51395	0.2
275.35944	0.2
277.21738	3.2
278.22070	4.2
279.22348	2.3
280.22598	1.5
465.86349	0.2
502.29675	0.9
503.29883	0.5
504.30365	0.5
505.30182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22461	0.5
55.01882	0.5
57.03456	0.9
59.01386	7.1
60.99315	15.9
61.98837	8.9
65.00391	0.6
71.01395	6.3
71.56434	0.9
72.99312	2.1
73.02956	1.5
75.00893	1.1
83.01385	1.3
83.05058	0.8
85.02955	9.8
87.00880	1.8
88.98816	100.0
89.02457	2.3
89.99152	0.7
93.03488	3.4
95.01401	0.8
96.96019	1.7
99.00927	0.9
101.02456	4.0
103.85888	0.4
108.02204	4.0
109.03000	3.0
111.00919	0.8
112.93713	0.7
113.02445	2.1
119.03487	0.8
119.05065	2.6
121.02964	2.0
123.00852	0.9
123.04531	1.3
125.02454	1.2
126.10000	0.6
129.01944	1.0
132.02165	0.7
133.02983	1.2
134.03784	2.1
135.04506	1.6
135.08218	0.7
137.02458	1.7
145.02895	0.8
147.02930	0.7
147.04485	0.8
149.02477	1.6
150.03181	1.2
151.04030	1.5
152.01170	6.1
153.01894	0.7
155.03555	0.8
160.01680	1.2
161.02461	1.0
161.04567	0.7
161.05968	0.5
163.04018	5.8
164.04781	1.7
165.00165	2.2
165.01831	0.6
165.05527	1.0
173.04567	6.6
175.00294	0.7
175.04022	1.6
176.04758	0.9
177.01984	0.8
178.02719	1.2
179.03502	1.5
179.07088	0.7
181.05063	0.6
187.04024	1.8
190.02757	2.7
191.02020	3.6
191.03641	1.0
191.05606	9.5
191.07175	0.9
193.05045	2.1
194.05669	0.8
205.05086	3.0
206.05711	1.1
209.03014	1.2
223.06148	2.1
225.09441	0.6
231.13896	0.7
238.88046	0.6
265.07205	1.0
273.14969	2.0
283.13431	2.3
291.16077	1.3
301.14545	1.6
319.15408	0.6
325.07574	2.0
325.14676	0.8
327.15936	1.3
345.17142	3.3
361.18600	0.9
363.18042	3.4
371.15015	0.8
389.16101	2.7
407.17313	1.1
520.32300	0.7
521.33429	2.0
533.17700	0.8
537.29266	0.7
563.21411	2.0
581.15302	4.7
581.22314	4.4
581.35980	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	581.183
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01372	4.4
61.98826	3.2
71.01391	2.3
71.56584	3.3
75.71983	1.8
78.95913	100.0
79.95718	3.2
80.96522	8.5
82.08878	1.8
89.00877	1.6
94.98103	3.2
96.96020	95.6
96.96985	4.6
98.95592	13.2
99.92584	13.4
105.26720	1.9
115.92090	34.3
116.92101	2.6
116.92868	28.4
152.99608	24.6
164.98611	2.5
171.00674	8.4
172.95467	5.9
178.88504	9.7
179.89232	34.9
180.90045	24.6
194.87927	4.1
196.89490	43.2
205.90805	4.2
206.91475	3.3
221.90112	2.0
225.00655	2.6
235.91846	9.4
236.92633	29.4
245.04388	4.7
252.92033	2.5
255.23254	9.9
270.93057	2.7
278.93695	5.0
309.55786	1.9
310.96292	7.8
409.11295	2.0
473.14008	8.9
483.27023	4.7
490.14236	8.6
533.16119	4.3
539.59186	2.3
545.16241	6.5
563.16864	7.7
581.18268	69.3
581.29541	18.1
582.18597	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65841	0.7
58.00599	2.0
59.01378	3.2
64.34065	0.7
68.55962	0.7
69.40229	1.5
69.40630	4.0
71.01388	3.5
73.02959	0.7
85.02974	4.4
87.00882	2.9
89.02460	1.6
91.01907	1.7
93.03461	1.3
99.00870	0.8
101.02433	2.0
108.02182	1.4
111.00868	1.1
113.02448	1.8
119.01398	6.0
119.04977	0.8
121.02971	7.1
122.03717	2.7
123.04518	1.3
128.68886	0.7
134.03758	2.4
135.04552	2.6
137.02490	1.8
137.06059	0.9
138.20992	0.7
142.72112	0.7
145.02966	3.5
146.03688	0.7
147.00920	3.9
147.04585	0.9
149.02463	26.9
150.03247	36.2
151.03920	1.1
152.01157	1.5
160.01680	2.3
161.02448	2.7
162.03259	4.2
163.04021	3.7
164.04796	21.7
165.01949	1.7
165.05597	22.9
175.00383	34.7
175.04007	2.7
176.01137	4.0
177.05583	2.1
179.03465	2.2
179.07158	3.2
180.04353	5.0
189.01816	0.9
190.02737	95.2
191.03380	7.7
191.05551	1.4
193.05095	2.0
194.05817	1.3
195.06641	19.5
195.08351	1.6
205.05075	94.6
206.05470	4.1
208.03806	2.2
209.04495	1.6
221.08258	0.9
223.06148	22.3
224.06583	0.9
247.06049	0.9
265.07166	1.1
294.47726	0.7
295.08188	1.8
337.09427	2.0
353.08768	1.2
367.10358	58.9
368.10760	3.6
389.16022	1.4
533.16705	100.0
534.16986	8.5
545.16742	2.6
563.17523	8.5
564.18372	1.4
581.18359	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	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.8
62.12523	1.4
64.30180	1.8
69.33871	13.1
70.88995	1.6
71.01394	10.6
73.02970	1.7
85.02959	3.1
87.00880	3.9
89.02453	5.9
91.01921	2.0
93.01880	1.7
101.02453	3.3
108.02200	2.4
108.84532	1.4
113.02465	4.0
117.03465	10.1
119.01378	8.5
119.05029	5.6
120.41840	1.8
121.02950	11.0
125.38257	1.8
132.02174	2.7
133.02969	4.1
134.03810	5.9
135.04524	9.5
145.01878	3.1
145.02972	44.1
146.03712	7.0
147.00859	5.9
147.04546	18.6
149.02448	51.5
150.03247	1.7
151.04118	1.7
152.01178	3.1
153.05563	1.6
157.91745	1.5
160.01685	6.2
161.02460	38.3
162.03242	57.3
163.04034	15.6
164.04805	43.5
165.05530	5.7
166.02766	3.4
173.02460	2.2
175.00388	39.9
175.03966	5.8
176.01152	6.2
176.04778	1.6
177.01952	7.2
177.05594	27.2
178.06300	1.7
179.03476	1.8
179.07146	8.2
180.04274	3.9
181.04999	2.1
182.05540	1.9
188.04800	2.6
190.02731	99.2
191.03510	16.9
191.07224	2.3
192.04256	5.0
193.01456	2.2
193.05074	6.4
195.06621	4.7
203.07123	5.0
205.05064	100.0
206.05795	18.7
207.02988	5.8
207.06424	3.2
208.03816	7.8
209.04596	1.9
219.06657	1.6
221.08202	20.9
223.06139	84.5
224.06366	1.7
235.06084	3.0
237.07738	10.2
247.06119	3.6
250.04845	5.9
265.07196	90.6
266.07510	4.4
295.08246	36.9
296.08643	2.2
325.09290	50.1
385.11200	10.2
389.16150	3.6
419.17276	2.3
524.26410	1.8
563.08832	3.4
563.17682	57.7
564.18005	4.2
575.73267	2.1
581.18878	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	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73751	1.0
59.01384	8.4
61.98806	1.9
65.66903	1.0
70.88767	1.3
70.89106	2.2
71.01400	8.1
83.01379	1.2
85.02968	6.5
87.00829	2.9
88.86073	1.0
89.02412	3.8
93.03444	5.6
93.90580	1.1
96.95975	3.3
98.28764	1.3
101.02409	4.9
108.02160	1.5
109.02920	1.4
111.00798	1.2
113.02400	3.5
119.01335	3.1
119.03516	1.3
121.02976	5.4
122.03755	6.9
123.04474	1.8
124.01649	1.2
124.23481	1.1
133.02872	1.1
134.03764	1.6
135.04463	3.1
136.01651	2.5
137.02448	6.1
138.03169	2.9
139.00348	1.4
141.91771	1.0
145.02861	1.3
147.00919	2.1
147.04454	4.1
149.02440	13.7
150.03233	52.3
151.03853	4.5
153.05467	3.3
161.02422	1.3
162.03143	1.1
163.03998	5.6
164.04811	9.9
165.01875	2.4
165.05579	87.3
166.02711	1.3
166.05963	1.9
169.04979	1.2
173.02377	1.8
173.04474	2.3
174.03102	2.5
175.00352	21.3
175.03981	12.5
176.00728	1.8
176.04637	3.5
177.05458	1.8
179.03383	2.8
179.07014	3.4
180.04279	6.3
181.05031	2.7
188.04686	3.7
189.05463	4.6
190.02728	56.0
190.06348	17.8
191.01694	1.1
191.03236	3.1
191.05507	2.8
191.07030	11.5
192.04312	1.9
193.01309	1.4
193.05025	7.7
194.05890	6.7
195.06522	2.6
203.06958	2.8
205.05067	64.9
205.08647	16.5
206.05434	3.1
207.06638	5.9
208.03664	3.0
208.07393	11.8
209.04539	2.2
213.07610	2.0
219.06670	1.0
221.08023	1.4
222.08661	1.5
223.04181	1.4
223.06129	17.7
233.08107	1.2
239.62680	1.0
265.07132	1.1
352.07703	1.1
367.10336	89.5
368.10745	6.0
374.13461	2.0
389.16092	100.0
390.16562	6.3
417.15573	1.5
419.16855	4.7
537.18542	1.2
581.18372	37.1
582.18756	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78597	1.1
56.64588	1.1
59.01382	7.2
69.24111	6.1
69.24535	4.1
71.01384	3.6
79.23282	1.0
85.02965	2.5
85.35168	1.2
87.00871	1.6
89.02454	2.3
91.01921	2.1
93.03448	1.7
101.02451	3.7
108.02150	1.9
113.02456	2.8
117.03533	5.5
119.01410	4.4
119.05034	2.6
121.02971	5.0
127.90031	1.1
132.02229	1.7
133.02946	2.4
134.03705	3.3
135.04538	3.5
137.02452	4.0
137.56808	1.0
145.02968	22.8
146.03729	4.0
147.00851	5.8
147.04520	9.4
149.02460	26.1
150.03242	2.7
151.04044	4.4
152.01215	1.5
160.01671	1.2
161.02460	18.9
162.03249	25.1
163.04048	8.4
164.04797	21.0
165.05580	2.4
173.06050	1.0
174.03214	2.5
175.00388	20.2
175.04007	14.6
176.01099	2.3
176.04788	4.4
177.01964	2.3
177.05583	13.4
179.03572	1.7
179.07161	3.3
180.04329	7.4
181.05075	1.4
186.92802	1.1
188.04791	3.7
189.02028	2.0
189.05513	6.4
190.01001	2.6
190.02737	49.2
190.06355	16.6
191.03539	9.3
191.07133	13.5
192.04282	2.0
193.05051	9.5
194.05878	7.5
195.06654	3.2
203.07132	3.7
205.05078	44.9
205.08711	13.4
206.05821	10.6
207.03006	2.5
207.06638	6.8
208.03835	3.5
208.07397	12.3
217.26181	1.3
221.08205	9.4
222.05507	1.1
222.08893	2.6
223.06133	39.3
223.09518	1.8
224.06555	1.8
237.07733	3.0
250.04877	3.1
265.04370	2.2
265.07190	40.4
266.07571	1.6
295.08267	14.2
296.08383	1.2
325.09293	22.3
326.09375	1.2
367.10284	2.2
374.13608	2.4
385.11380	4.2
389.16095	100.0
390.16513	8.6
419.17142	3.7
563.17719	24.2
564.18097	4.0
581.18677	15.0
582.19232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02502	1.3
56.16451	1.5
57.03453	7.3
57.50440	1.4
58.22405	1.3
59.01379	17.7
61.98838	49.0
67.01915	4.1
69.03443	1.5
71.01395	11.8
71.05598	2.6
72.99308	6.5
73.02966	1.9
74.02483	1.5
75.00871	3.0
75.20314	1.5
76.87076	1.3
79.57632	1.3
83.05029	1.7
84.02185	1.7
85.02962	62.5
87.00899	6.2
89.02444	3.0
93.03470	39.2
96.96043	4.7
97.02959	1.5
99.00936	1.6
101.02436	3.6
108.02180	2.3
109.02988	3.8
109.43334	1.4
111.00883	6.3
111.04531	5.9
113.02483	3.7
117.03486	22.8
119.05039	92.2
120.05392	2.2
121.02962	3.2
123.00958	1.7
123.04585	1.6
124.01672	3.1
125.02457	4.0
129.01955	6.9
133.02957	5.4
134.03767	11.2
135.04529	6.1
136.01738	1.5
137.02473	20.2
145.02972	52.1
145.04138	2.8
147.03027	7.0
147.04527	4.0
149.02443	2.6
149.99648	2.7
150.03239	9.0
151.00391	6.7
151.04028	3.0
152.01089	2.1
155.03485	4.9
163.04030	100.0
164.04536	2.2
165.01982	1.9
165.05525	8.4
166.02760	9.3
167.03516	2.5
168.00696	3.8
173.04570	56.2
175.04033	7.4
175.07666	3.4
176.04790	1.5
177.01923	3.2
177.05663	7.6
178.02774	6.4
179.03552	5.1
180.04309	3.2
181.05078	7.5
186.06918	1.9
187.04019	2.1
187.07683	3.3
189.05449	1.4
190.02690	2.1
190.06419	2.5
191.01991	23.8
191.03665	2.7
191.05624	41.1
193.05055	3.9
195.06628	9.2
201.05643	3.6
203.07121	7.5
204.07840	2.9
205.05093	1.6
205.08696	2.7
206.05820	2.7
209.03018	2.3
211.13403	8.5
221.08255	2.3
229.08731	3.9
230.09525	3.7
232.07484	8.3
233.08223	5.6
247.09721	8.6
248.10558	3.6
251.09242	3.4
255.02896	3.1
256.03741	11.0
281.06763	2.0
284.03290	46.9
285.03879	2.5
297.04184	2.0
298.04858	1.9
299.05637	35.7
299.16473	1.5
301.14215	1.8
323.09305	1.8
327.16159	4.7
329.14206	1.6
337.07187	1.6
345.17102	14.3
355.12003	3.3
367.11911	3.4
371.14984	2.9
373.12854	2.7
387.14435	4.7
389.16068	13.6
403.14310	2.2
407.16986	7.4
447.10077	1.6
503.17145	1.8
533.18390	1.6
537.32043	1.9
551.19263	7.4
563.21234	34.6
564.21643	3.3
581.12842	35.2
581.20947	51.5
582.13403	4.6
582.21631	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	581.2244
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01890	1.7
57.03450	2.0
58.00600	2.0
59.01104	2.7
59.01385	40.5
69.28514	13.6
71.01389	24.8
72.99297	2.1
73.02948	4.7
82.12172	1.4
83.01395	6.0
85.02957	11.2
87.00894	2.4
89.02451	14.1
93.03478	5.0
95.01382	2.6
96.96037	2.4
97.05760	1.2
99.00884	3.3
101.02460	18.8
105.05228	1.2
106.99761	1.5
113.02467	9.7
115.04024	2.4
119.03525	5.7
121.02962	2.5
122.03798	1.7
123.00890	9.8
124.01702	3.2
125.02517	2.1
133.03009	1.5
134.03767	1.8
137.02481	6.7
138.03232	16.3
139.04047	3.8
143.03539	2.4
149.02499	4.6
150.03249	14.2
151.04004	3.5
153.05580	13.5
161.04594	3.0
162.03265	2.0
163.03992	2.6
164.04797	3.9
165.05583	21.3
173.04601	1.6
174.03279	2.2
175.00397	4.1
175.04047	5.2
179.03488	2.5
187.04056	3.7
188.04860	1.7
189.05626	2.5
190.02750	13.6
190.06416	3.6
191.01976	1.8
191.05641	2.9
191.07152	1.7
193.05064	2.3
195.06628	2.8
202.06432	3.5
203.07169	4.7
205.05080	15.8
205.08751	2.1
208.07620	1.6
221.08235	1.7
223.06117	4.2
233.08212	11.2
247.09969	1.7
312.53210	1.6
313.07281	2.6
325.07373	2.0
326.07904	1.4
327.08759	1.8
340.09616	2.6
341.10205	2.5
343.08304	1.7
344.09061	2.4
355.12006	2.8
356.08997	1.8
358.10614	4.3
359.11484	10.7
367.10373	20.6
371.11154	6.8
373.12943	12.9
374.13550	1.7
381.61954	1.5
386.13788	2.7
389.12244	4.4
389.16592	12.1
401.16403	3.8
404.14655	8.1
405.15570	3.6
419.17130	41.2
420.17633	2.6
535.17944	1.7
547.95227	1.5
566.20227	7.5
581.22607	100.0
582.22815	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	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37473	0.5
57.56438	0.5
59.01390	4.6
60.02934	0.5
69.53357	1.2
69.53773	2.9
71.01392	4.1
71.94595	0.5
73.02951	1.0
78.30820	0.6
78.92503	0.5
80.82854	0.6
84.71513	0.5
85.02979	2.5
87.00877	1.9
89.02448	1.0
89.03951	0.6
91.01899	1.0
93.03468	0.9
95.01377	0.6
96.96022	0.6
101.02461	1.9
108.02168	1.4
109.02953	0.9
113.02448	2.0
117.03473	3.6
119.01395	2.8
119.05013	1.4
121.02988	2.5
123.00841	0.7
123.04557	0.6
132.02217	1.2
132.78665	0.6
133.02962	1.8
134.03738	2.4
135.04520	2.4
136.01685	0.9
137.02452	4.0
138.03241	0.7
139.00414	0.5
145.02959	15.8
146.03702	3.4
147.00882	1.7
147.04543	7.3
149.02451	15.4
150.03233	1.5
151.03983	4.0
152.01225	0.7
152.04846	1.1
153.01939	1.6
159.04637	0.6
160.01630	2.0
161.02457	15.2
162.03249	19.8
162.99405	0.5
163.04013	8.1
164.04811	14.2
165.01926	1.5
165.05586	2.5
166.02721	1.1
166.06297	0.8
173.02367	0.9
173.04651	0.7
174.03267	2.6
175.00385	14.1
175.04007	17.0
176.01065	1.7
176.04784	4.2
177.01979	2.7
177.05576	9.9
178.02762	0.8
179.03508	1.4
179.07095	2.5
180.04292	7.4
181.04999	1.2
188.04759	3.4
189.01912	1.2
189.05595	5.3
190.02736	32.6
190.06354	19.8
190.08102	1.0
191.01918	0.8
191.03520	5.4
191.05597	0.8
191.07135	12.3
192.04362	2.6
192.07567	0.6
193.01353	1.0
193.05051	9.6
194.05856	5.2
195.06624	2.1
203.07214	2.6
205.05078	34.1
205.08682	15.0
206.05800	7.0
207.03044	1.5
207.06657	5.9
208.03903	3.2
208.07420	14.0
209.04630	1.0
221.08197	7.5
222.05530	0.7
222.09010	2.9
223.06133	26.7
223.09660	1.1
224.06528	1.5
235.02316	0.7
235.06110	2.1
237.07704	3.3
247.06154	2.3
250.04813	2.1
252.99315	0.5
265.07193	32.4
266.07495	1.5
277.07263	0.6
295.08246	11.8
325.09299	16.4
326.09647	0.8
367.10254	1.0
374.13651	2.5
385.11221	4.1
389.16080	100.0
390.16531	6.0
419.17020	3.6
563.17645	19.1
564.17963	1.6
575.21484	0.6
581.18976	8.4
582.19299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62558	2.0
57.03469	2.8
58.00594	5.5
59.01384	100.0
60.99298	2.0
61.98837	12.1
65.21764	1.7
67.24510	1.6
69.03476	1.8
69.53596	5.3
69.54005	6.1
71.01395	63.3
72.99325	5.3
73.02950	4.0
75.00875	2.1
83.01420	2.3
85.02969	24.0
87.00900	8.7
88.98817	12.9
89.02453	77.4
91.01891	1.9
92.84482	1.8
93.03468	6.7
95.01418	3.0
96.95999	4.3
101.02457	36.6
108.02210	3.3
109.02977	2.9
111.00906	2.0
112.93768	2.1
113.02472	25.8
117.03440	5.8
119.01404	5.8
119.03518	33.5
119.04987	2.8
121.02983	8.4
124.01650	2.1
125.02491	3.1
131.03503	4.4
132.43410	1.8
133.02977	4.0
134.03760	4.4
135.04555	5.0
137.02451	10.7
139.00308	2.6
139.04008	1.9
143.03499	6.9
145.02972	21.4
146.03795	5.2
147.00842	2.8
147.03056	3.1
147.04530	8.7
149.02467	28.2
149.04482	2.1
149.06047	2.4
150.03278	9.8
151.00369	4.8
151.04033	3.4
152.01184	4.3
153.05598	3.2
159.04463	2.3
161.02483	22.2
161.04587	5.0
162.03255	29.0
163.04039	7.0
164.04787	26.0
165.05537	6.8
166.02721	11.0
173.04572	5.0
173.06039	2.0
175.00378	26.0
175.04001	12.8
176.01157	3.9
176.04800	3.4
177.01968	3.1
177.05576	14.4
179.03506	3.5
179.05621	11.2
179.07147	8.2
180.04274	4.4
181.05083	15.8
187.03998	5.0
188.04758	3.9
189.05582	2.7
190.00992	3.7
190.02730	70.5
190.06357	5.4
191.01938	3.5
191.03491	8.2
191.05617	8.1
191.07178	4.1
192.04181	2.3
193.05142	3.9
194.05836	2.6
195.06645	9.4
203.07178	6.3
204.04283	3.4
205.02094	2.9
205.05077	69.4
206.05759	11.8
207.03065	3.1
207.06593	2.4
208.03723	4.8
219.06792	2.2
220.07336	5.6
221.08237	8.9
223.06114	38.5
224.06410	1.9
229.82870	1.9
235.06151	3.2
235.09755	6.1
237.07669	4.2
265.07175	37.3
295.08356	13.3
325.09387	20.3
328.29044	2.0
341.10233	7.1
356.12582	4.2
367.10440	14.0
371.14987	6.3
385.11203	4.7
389.16080	24.8
401.16077	48.3
419.17160	9.5
521.25775	2.7
533.16791	20.6
563.17682	33.5
564.17920	3.3
581.19702	13.4
581.31287	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	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.8
58.00587	3.8
59.01387	96.7
61.98838	25.4
67.01900	3.6
70.57263	9.2
71.01388	70.4
72.99319	9.1
73.02958	8.5
75.00893	13.2
83.01414	6.6
85.02956	56.6
87.00896	14.5
88.04050	3.8
88.98807	2.2
89.01916	5.6
89.02451	57.7
89.03011	3.3
93.03494	13.0
93.04028	2.3
95.01389	6.0
96.96003	8.1
98.20581	2.8
99.00864	4.6
100.88042	2.9
100.98786	4.4
101.02454	47.4
108.02187	5.0
109.02976	5.7
111.00891	7.4
112.93752	5.8
113.02446	24.9
116.92890	9.3
117.03487	3.4
118.99826	4.2
119.03507	32.3
119.05009	5.7
121.02964	24.5
123.00882	6.2
129.01970	5.7
131.03531	4.3
133.02995	3.7
134.03694	4.1
135.04555	16.1
137.02464	10.6
138.03233	3.2
139.00386	5.3
143.03549	3.8
147.03030	5.9
149.02464	33.4
149.04495	3.7
149.06052	3.0
150.03198	8.8
151.00372	20.6
152.01111	7.3
153.01941	8.4
161.02412	2.5
161.04636	5.7
161.06120	4.0
162.03239	6.0
163.04004	11.5
164.04802	55.4
165.01996	8.3
165.05580	7.9
166.02725	49.5
167.03416	2.9
173.04587	17.9
175.00371	9.2
175.04060	8.4
176.04689	2.8
177.01968	3.2
177.05629	4.3
179.03500	8.5
179.05695	5.3
179.07147	40.0
180.04237	6.5
181.05084	61.9
189.05573	11.7
190.02744	33.7
190.06442	6.9
191.01973	20.5
191.03555	3.9
191.05627	26.9
191.07205	4.5
192.04211	2.8
193.05049	4.5
194.05858	4.9
195.06627	10.1
203.03561	2.6
204.04247	4.3
204.07866	5.9
205.05048	44.7
209.02989	4.3
219.03052	3.2
219.06657	16.1
219.10257	6.0
221.08099	5.4
222.05351	17.6
223.06078	13.4
227.03801	2.8
256.18378	3.2
265.07236	4.0
277.07166	7.2
307.06262	3.6
311.09393	3.5
319.11880	7.7
327.12323	5.2
331.04761	2.5
337.09268	15.0
345.16959	5.3
352.12900	3.5
357.13455	11.2
367.10226	21.3
371.15216	3.4
386.13239	2.8
389.16095	25.6
390.16559	2.9
401.16064	100.0
402.16327	8.7
419.16824	7.2
445.14978	17.3
509.29712	8.2
521.33472	4.0
533.16760	19.2
537.29114	12.4
563.17059	13.2
568.07379	2.8
581.20477	44.3
581.32452	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	581.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51077	10.7
59.01386	53.5
61.98829	49.6
62.75020	10.9
64.02844	9.9
70.84534	18.2
70.84873	25.2
71.01389	18.6
78.95928	11.9
85.02946	27.0
90.76866	11.0
93.03463	47.8
96.96010	100.0
101.02463	15.2
135.04524	22.8
137.02454	15.7
163.04033	21.1
165.29510	10.3
173.04596	98.8
175.00417	18.5
191.05553	56.6
193.05064	12.4
211.13446	16.3
233.08298	14.9
251.09293	20.6
253.09456	15.2
291.19739	30.2
309.20724	61.8
354.32520	11.0
563.21436	19.3
581.27252	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	27.3
61.03107	4.4
61.98832	28.1
69.51527	19.5
69.51929	15.8
71.01385	9.7
72.59393	5.9
72.85361	5.0
73.41379	4.9
75.00886	4.1
79.95741	5.3
85.02932	5.8
87.00861	6.9
93.03454	8.0
96.96030	42.7
101.02457	6.7
105.02390	4.3
119.05044	13.1
139.43031	5.4
145.02916	7.3
163.04025	8.2
173.04568	19.3
186.81488	5.2
191.05600	6.0
207.80525	5.2
211.13390	8.5
253.09265	19.5
281.83603	5.1
291.19650	21.8
304.79947	4.9
309.20743	100.0
310.21066	7.5
521.40997	6.1
545.29736	85.5
581.27466	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	581.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52470	0.3
56.43587	0.3
59.01367	0.4
63.96243	0.8
70.29018	0.8
71.01388	4.9
73.02954	1.5
78.98601	4.2
79.95744	7.0
80.96525	50.1
81.03452	0.6
81.54361	0.4
83.01416	0.4
85.02948	2.3
87.00887	2.4
94.98098	13.3
95.01435	0.4
96.69427	0.3
96.96044	1.4
97.02965	1.1
99.00899	0.4
101.02455	1.5
106.98090	2.5
122.97591	4.2
125.02456	2.7
127.04008	0.6
134.97612	3.0
136.99136	1.1
148.99155	4.9
152.98657	5.5
163.27791	0.3
164.98651	9.1
167.00179	0.5
182.99675	1.7
203.08527	0.4
206.99750	2.0
225.00751	14.1
243.01823	1.2
281.24841	3.4
299.04474	2.2
565.50281	0.4
581.30042	100.0
582.30292	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	582.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45198	0.3
51.05487	0.3
53.48962	0.3
59.01387	1.8
59.01647	0.3
61.98837	100.0
65.55647	0.3
71.01397	1.6
71.01752	0.3
71.56291	0.3
71.77575	0.3
72.99355	0.4
73.02950	0.4
74.02496	0.6
78.95923	0.4
85.02974	1.4
87.00906	0.4
89.02462	1.1
93.03501	0.4
96.96035	1.2
101.02454	1.2
109.02966	0.8
111.00874	0.6
113.02454	0.5
119.03494	0.3
120.01295	0.4
121.02957	0.4
133.03001	1.0
134.03679	0.4
135.03479	0.3
135.04532	1.0
137.02458	0.9
145.02945	0.5
149.02486	0.7
164.04800	0.9
165.02022	0.4
166.02702	0.3
173.04558	0.8
173.76984	0.3
177.01886	0.3
179.03477	0.4
180.04332	0.4
181.05066	0.5
184.45712	0.3
187.11259	0.3
190.02759	1.8
191.05641	1.2
191.07213	0.3
193.05167	0.4
205.05112	2.3
206.05594	0.4
223.06134	1.5
251.57904	0.3
265.07285	1.5
275.84766	0.3
295.07935	0.4
298.04684	0.4
299.05048	0.5
299.31543	0.4
304.83575	0.3
312.05951	0.6
313.06891	0.5
314.07217	1.0
315.07669	0.6
325.09387	0.5
328.05252	0.6
329.06201	0.4
339.04898	0.3
340.05463	0.6
341.06079	0.5
342.06259	0.7
343.07333	0.5
358.14331	0.4
360.11179	0.4
369.05994	0.6
370.06644	1.6
371.06711	1.1
372.07007	2.1
373.12851	0.4
374.13245	0.3
383.13715	0.5
384.06879	0.4
385.11450	1.0
399.07205	0.4
400.07578	1.0
401.07675	0.9
402.08057	2.2
414.08105	0.4
419.17200	0.4
420.17297	1.3
432.09006	0.4
444.09296	0.6
460.09515	0.6
461.10294	0.4
462.10172	1.5
491.10284	0.5
492.11356	2.7
496.41791	0.4
515.80353	0.3
519.16962	1.3
522.12201	0.7
522.32678	0.7
547.16589	1.3
547.24036	1.3
564.13623	0.5
582.14386	13.6
583.14478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62685	0.1
59.01385	0.4
61.98835	100.0
68.62182	0.2
69.49207	0.1
69.49487	1.3
69.99671	0.2
71.01416	0.3
85.02962	0.4
93.03452	0.2
96.95991	0.2
98.19915	0.4
119.05045	2.0
120.05394	0.6
137.02475	0.2
145.03004	0.2
163.04005	1.5
164.04430	0.5
168.00601	0.2
179.03441	0.2
191.05643	0.3
219.58905	0.2
286.44211	0.2
399.77457	0.2
402.77533	0.2
465.07010	0.2
522.33826	0.4
582.22223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79643	0.5
54.67148	0.4
57.03479	0.7
59.01390	6.2
61.98838	18.2
65.03967	0.5
69.66830	0.7
69.67238	2.7
71.01389	6.5
72.99329	0.6
73.02946	1.3
74.02523	0.5
75.00909	0.7
81.03500	0.8
83.01398	0.8
83.04986	0.4
85.02968	3.6
87.00911	0.5
88.98818	1.4
89.02454	2.8
93.03461	9.2
93.53191	0.5
94.03785	0.5
95.01402	0.6
96.96026	3.2
97.02983	0.7
99.00899	0.8
99.22152	0.5
101.02463	4.4
107.05042	2.9
108.02209	1.5
109.02993	1.7
111.00897	0.7
111.04618	0.6
113.02475	2.2
116.92899	0.4
117.03497	0.5
119.01348	0.8
119.03517	1.1
119.05010	1.1
121.02965	1.8
122.03696	0.5
123.00883	2.8
123.04573	1.8
123.45770	0.5
124.01678	4.8
125.02463	3.9
131.03519	0.5
133.02998	1.0
133.95801	0.6
134.03758	4.8
135.04541	100.0
136.04889	2.0
137.02473	11.4
147.00835	0.5
148.41566	0.4
149.02464	4.5
149.04472	0.5
149.99611	6.9
150.03265	3.5
151.00371	0.7
151.04010	7.7
152.01158	1.8
153.02032	0.9
153.05685	0.7
161.02480	2.0
161.04694	0.9
163.04028	1.6
164.04834	3.1
165.05574	3.2
168.00653	15.2
169.01370	1.3
173.04590	2.5
173.05896	0.5
175.00435	2.8
175.04021	1.6
176.01134	1.4
179.03519	44.7
179.06857	1.0
180.04001	1.5
190.02727	11.6
191.03514	1.9
191.05600	2.4
193.05032	3.7
193.66600	0.5
195.06697	2.3
205.05075	13.5
206.05435	0.6
208.03748	0.9
209.04558	0.7
221.08109	0.6
223.06145	5.0
265.07123	0.5
281.06686	0.7
284.03394	0.8
299.05652	2.5
300.06030	0.6
341.08926	1.7
353.08783	3.7
367.10370	21.7
368.10904	1.1
387.14355	0.8
421.20782	2.6
445.09818	2.0
463.10849	2.4
503.15707	2.9
519.14954	2.5
522.33203	0.6
523.34863	2.4
535.19989	1.3
547.14648	17.5
547.27356	1.1
548.14618	1.6
582.35315	1.9
583.13007	21.6
583.24402	3.3
583.32043	3.2
584.13409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01673	1.9
57.05400	2.1
59.01382	4.0
61.98837	3.6
69.22911	2.3
69.56560	2.1
71.01387	7.0
71.56540	3.0
73.37753	1.7
78.95911	93.1
79.95757	6.8
80.96519	26.2
82.96131	11.7
82.96967	2.0
83.02200	1.9
87.00829	2.2
94.98116	5.5
96.96008	11.9
96.96965	6.8
96.97640	2.8
98.95612	8.0
99.92582	9.1
115.92091	45.6
115.92915	2.3
116.92115	3.8
116.92873	27.6
120.96973	2.0
122.97585	2.2
143.22038	2.1
148.99113	2.7
150.98021	6.9
152.98427	2.7
152.99605	39.4
166.98250	3.7
171.00656	8.5
172.95476	7.1
178.88466	11.4
179.89229	29.2
180.90045	21.7
181.90782	2.9
194.87909	3.5
196.89502	41.5
197.89470	2.7
201.46843	2.1
205.90733	3.6
206.91592	2.8
208.89594	3.1
225.00839	2.6
227.00372	3.9
235.91850	7.6
236.92642	28.6
252.92039	3.6
255.23198	11.6
277.21762	6.5
475.15381	9.5
492.15640	8.3
535.17859	6.0
547.17627	6.9
582.30231	13.9
583.19763	100.0
583.30127	56.8
584.20313	12.0
584.29211	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	583.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47340	0.7
55.01886	1.8
57.03443	1.2
58.00595	0.8
58.37005	0.7
59.01387	25.1
61.98842	5.1
67.01914	0.7
68.71055	0.8
69.03468	1.1
70.89222	0.7
71.01392	19.6
71.58110	0.7
72.99310	2.5
73.02969	4.6
75.00881	3.2
77.30099	0.9
81.03459	0.9
83.01394	2.4
85.02962	9.9
85.11160	0.6
87.00888	2.3
88.98727	0.8
89.02458	8.2
93.03474	5.0
95.01408	1.7
96.96043	2.6
97.02987	1.0
99.00887	1.5
101.02456	13.5
107.05039	0.8
107.74364	0.8
108.02214	1.0
109.02967	3.1
111.00884	1.5
113.02485	6.6
115.00415	0.9
117.03491	0.8
117.74282	0.7
119.03500	3.6
119.05110	1.0
120.99656	1.8
121.02984	1.1
123.04540	1.1
124.01670	2.0
125.02464	4.7
135.04524	3.4
136.99168	1.0
137.02464	20.2
138.03287	5.8
139.04027	4.3
143.03540	0.7
145.02977	1.3
149.02467	1.1
149.06195	0.9
150.03229	1.5
151.04027	6.0
152.01215	1.6
152.04768	3.0
153.01971	1.5
153.05566	1.1
161.04593	1.6
162.03258	2.4
163.04021	3.7
164.04790	2.1
165.01884	0.8
165.05569	2.1
173.04530	3.0
176.04797	1.2
177.05589	2.7
178.06073	0.9
179.03546	3.2
179.05600	1.6
179.07091	1.5
180.04315	6.9
181.05116	9.5
185.11827	3.5
189.05583	0.9
190.02760	1.0
191.05653	3.5
191.07166	1.0
193.05070	2.6
194.05882	2.1
195.06653	15.7
205.05098	2.0
205.08800	0.7
206.05759	1.3
207.06593	3.0
209.08195	1.9
223.06126	1.1
225.05583	0.8
343.11816	1.0
361.12918	1.9
373.12881	1.5
375.14325	2.1
388.15109	2.4
391.14099	6.0
397.13583	2.5
403.17767	4.8
406.16345	12.1
421.18716	49.9
422.19189	3.4
539.30688	1.9
540.81012	0.9
568.21875	1.7
583.24042	100.0
584.24451	10.2
605.43060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28187	0.5
50.34677	0.5
57.03428	0.5
58.34221	0.4
59.01393	2.2
60.67017	0.5
61.98832	0.9
68.18618	0.4
71.01389	2.5
71.56282	0.6
72.99345	0.5
73.02932	0.8
75.00871	1.0
81.03481	0.7
85.02962	1.9
88.98820	0.7
89.02435	0.9
93.03468	12.1
95.01395	0.8
96.96007	1.4
101.02422	0.9
108.02206	0.8
109.02943	2.5
111.00906	0.7
113.02454	0.7
120.99677	1.1
123.00901	0.6
123.04492	0.6
124.01661	3.1
125.02461	4.9
135.04543	1.1
136.01735	0.7
137.02458	33.4
138.02383	0.5
138.03256	6.0
139.04037	6.0
149.06152	0.7
150.03233	1.1
151.04019	4.9
152.04785	3.7
153.01912	1.1
153.05588	1.0
161.02425	0.6
162.03212	1.6
163.03966	1.6
164.04791	1.6
165.05551	1.7
166.06374	0.7
167.03618	0.6
170.02255	0.7
173.04541	1.2
175.04018	2.1
176.04683	1.7
177.05537	3.5
177.75056	0.4
179.03595	1.1
179.07167	0.8
180.04312	4.7
181.05078	8.9
184.03758	0.7
191.05621	2.3
191.07162	1.1
193.05066	1.2
194.05867	4.3
195.06633	18.1
198.05263	0.5
206.05922	1.0
207.06645	2.8
208.07291	0.4
209.08195	3.4
233.62341	0.5
237.07738	0.8
337.09283	0.5
339.10178	0.7
343.11951	0.7
361.12854	4.7
373.12714	0.7
375.14474	2.3
391.13998	11.7
392.14441	1.0
406.16306	13.7
407.16586	1.5
421.18704	100.0
422.19070	9.2
548.10736	0.5
583.22614	1.9
583.30969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98837	100.0
69.45676	0.3
69.46088	0.6
71.01387	0.4
85.02971	0.5
87.00883	0.2
88.29729	0.1
89.02419	0.2
93.03480	0.7
95.72055	0.1
96.96062	0.3
98.20620	0.3
101.02484	0.2
107.62704	0.1
108.02209	0.2
109.03003	0.1
111.00924	0.1
111.44532	0.1
113.02506	0.1
116.92927	0.2
119.05064	0.4
134.03745	0.1
135.04585	0.3
137.02477	0.5
145.02956	0.2
150.03276	0.2
159.69420	0.1
161.02412	0.2
161.03606	1.0
163.04047	0.3
164.04858	0.2
173.04506	0.6
175.04034	0.2
179.03629	0.2
191.04222	0.1
191.05595	0.7
193.05132	0.2
216.08826	0.2
218.85193	0.1
227.07608	0.1
422.11606	0.2
524.35175	0.2
584.24976	0.2
584.34125	0.2
585.21765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79652	0.1
59.01379	1.3
59.93409	0.1
61.98837	100.0
63.99251	0.6
71.01405	0.7
71.56152	0.1
75.00886	0.1
81.80369	0.1
82.95422	0.2
83.01420	0.2
83.05043	0.1
85.02982	0.8
87.00900	0.2
89.02474	0.4
93.03476	0.7
95.01413	0.1
96.96039	0.6
101.02477	0.5
108.02255	0.3
109.02986	0.3
111.00912	0.3
111.04566	0.2
113.02525	0.4
116.92899	0.2
119.05068	0.5
123.00925	0.2
133.02974	0.2
134.03720	0.2
135.04533	0.8
137.02496	0.4
145.02992	0.3
150.03326	0.2
151.57176	0.1
152.01184	0.2
152.07237	0.1
161.02478	0.2
162.03131	0.1
163.04019	0.2
173.04575	1.0
179.03529	0.2
191.05669	1.0
193.05061	0.2
204.08418	0.1
223.06192	0.2
524.35809	0.2
584.36603	0.3
585.27661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01388	5.9
60.95023	0.5
60.99308	1.2
65.00340	0.5
67.01891	0.9
67.41853	0.5
69.65166	3.3
71.01389	8.5
72.99311	0.7
73.02961	1.0
74.02471	1.3
75.00879	5.3
80.51225	0.6
81.03444	0.8
83.01380	1.2
85.02961	2.7
85.81710	0.6
87.00916	0.6
88.98809	8.2
89.02457	3.5
91.48242	0.5
93.03487	1.1
95.01403	1.7
96.96030	1.8
96.99344	0.7
97.02911	0.8
99.00868	0.7
101.02448	4.0
104.30281	0.5
109.02953	1.7
111.00886	2.5
113.02456	2.4
119.03496	0.7
121.02959	8.8
123.00903	6.1
125.02467	1.2
125.99648	0.7
127.00390	0.7
135.04543	1.4
137.02458	14.8
138.03242	3.0
139.00371	2.1
139.04018	1.7
149.02473	1.5
150.03226	1.1
153.01936	2.6
153.05591	7.7
155.03508	1.6
163.04126	0.6
164.04781	1.5
164.21242	0.5
165.01941	56.3
166.02444	1.7
166.99866	4.6
168.00647	1.0
168.04288	1.5
173.04579	1.2
175.00363	1.1
179.03476	1.8
179.05646	0.6
180.04297	48.1
181.01421	6.3
181.04837	2.1
182.02222	9.8
183.02986	3.9
183.06606	2.3
190.02734	2.8
191.05630	2.3
192.04056	0.6
195.02907	2.2
195.06641	100.0
196.03784	1.2
196.06935	2.9
197.04573	24.6
205.05128	3.4
211.06129	0.9
223.06184	3.1
225.04079	1.7
225.07817	0.7
227.85266	0.6
239.05629	1.2
243.08795	2.2
254.77606	0.6
265.07269	0.9
311.03952	0.9
326.06454	5.3
327.07178	0.9
341.08783	74.2
342.09213	3.6
387.16531	0.7
478.23816	0.7
525.16083	0.9
549.18317	6.4
549.26697	0.8
549.30139	0.7
584.32587	1.0
585.18250	28.7
585.31482	6.3
586.18622	2.5
607.89191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07639	0.7
57.03456	100.0
57.88372	0.9
58.03802	0.9
59.01394	11.7
61.98841	8.7
69.75866	0.8
70.72242	2.0
71.01392	2.2
73.02945	1.0
78.01658	0.9
81.03474	2.7
85.02971	1.2
89.02448	1.7
93.03457	1.8
96.96036	3.8
99.04531	70.4
101.02451	11.1
113.02507	1.2
116.92888	2.6
119.03400	0.8
125.02466	21.5
133.74658	0.9
135.04532	10.1
137.02466	1.9
161.04735	0.8
163.04025	60.1
164.04422	1.4
165.05574	0.9
173.04518	1.2
178.06378	54.4
179.06847	1.7
191.05565	1.3
193.08716	70.4
194.09122	1.3
197.69174	1.0
218.29799	0.8
264.55206	0.9
284.26187	0.8
439.52435	0.8
581.50568	1.0
585.29309	1.0
611.89691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01387	17.5
61.98539	0.9
61.98836	17.7
69.03493	0.8
71.01385	6.9
71.56523	0.9
72.99300	0.9
73.02949	2.9
81.03455	2.0
83.01405	1.4
85.02955	6.3
87.00896	0.9
88.98792	0.9
89.02450	1.6
93.03477	2.9
95.01372	3.7
96.96034	4.5
97.06619	0.6
99.04504	0.7
101.02455	3.8
108.02187	50.3
109.02973	37.5
110.03263	0.6
111.04527	0.7
113.02439	2.8
119.03471	0.7
119.05002	1.6
121.02976	3.0
123.00881	2.3
123.04535	1.7
125.02432	0.7
128.03500	0.9
133.02977	1.1
134.03722	1.8
135.04547	5.2
137.02408	1.9
143.04562	0.7
147.27246	0.6
149.02408	0.8
150.03236	1.4
151.03983	1.9
152.01172	56.2
153.01953	21.9
154.02283	0.7
161.02431	1.2
161.04533	1.8
163.03957	2.7
164.04666	0.7
165.01859	0.9
165.05531	2.1
173.04622	2.8
175.03944	1.1
179.03450	2.1
181.05023	1.2
182.02126	0.7
190.02655	1.2
191.05664	3.5
193.05170	1.0
195.06546	1.0
197.04552	0.9
205.04965	2.4
209.11813	1.7
227.12936	4.3
253.07028	1.1
265.57062	0.6
297.06125	1.1
303.14490	0.7
315.07266	5.9
357.08322	5.9
379.15829	0.7
399.88672	0.6
503.62314	1.0
507.18179	0.7
523.21948	1.5
525.19922	2.9
531.27936	0.9
541.23212	3.5
549.29071	1.2
550.29651	0.9
567.20892	5.9
585.21826	100.0
586.22156	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	585.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.2
58.53028	2.0
59.01389	21.1
61.98533	2.3
61.98837	30.4
71.01399	21.4
71.55627	1.9
72.99305	2.7
73.02961	4.4
75.00916	2.3
78.95907	2.3
79.95746	4.2
82.95437	2.8
83.01389	3.4
84.95112	7.8
85.02977	12.4
87.00890	4.4
88.98785	2.2
89.02454	13.4
89.12589	1.9
89.36755	2.3
93.03467	2.9
96.96021	100.0
101.02457	14.4
108.02165	2.5
109.02991	3.1
111.00925	3.5
113.02469	8.7
119.03510	4.2
120.99666	4.0
121.02962	6.6
123.00895	6.6
125.02468	2.9
135.04524	7.7
136.99219	2.3
137.02480	10.7
138.03174	2.8
143.61266	2.0
149.02452	3.7
149.04544	2.6
151.03983	3.1
152.72910	1.7
153.01889	3.0
153.05563	3.5
161.04599	4.0
162.03160	2.0
164.04794	5.3
165.01930	26.8
165.05591	3.7
166.99806	2.7
173.04517	4.4
175.00275	2.3
179.03477	4.0
179.05620	4.9
180.04324	24.4
180.07402	2.0
181.01414	2.8
181.05069	2.7
182.02185	6.3
190.02739	6.7
191.05655	8.5
195.06656	44.8
197.04549	12.7
204.24091	1.8
205.05087	6.9
223.06120	5.7
264.09906	1.9
326.06494	3.3
341.08755	36.2
369.15829	2.2
387.16595	10.9
424.97168	1.9
547.16473	5.0
549.18188	4.4
549.25574	39.2
550.25378	3.1
585.24115	60.2
585.31897	3.0
586.23944	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	585.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.2
59.01390	65.0
59.32597	3.4
60.99332	5.6
61.98840	54.6
67.01881	4.8
70.06103	12.7
71.01385	51.0
72.99314	5.8
73.02948	10.8
75.00876	5.2
85.02955	25.8
87.00875	9.3
88.98811	45.4
89.02449	39.6
93.03479	14.5
96.96024	13.4
101.02454	37.6
108.02203	5.2
109.02945	8.1
113.02468	25.5
119.03519	22.1
121.02963	46.3
123.04523	5.2
125.06098	5.2
127.51075	3.5
135.04530	16.3
137.02414	12.1
143.03500	6.4
149.02470	6.1
150.03239	12.3
152.01146	5.2
153.05667	3.8
160.01715	3.8
161.02505	5.5
161.04575	9.5
163.04079	3.9
165.05533	9.1
173.04527	15.4
175.00349	4.3
175.03979	7.7
179.03574	4.7
179.05684	9.1
190.02815	12.4
191.05591	20.7
195.06676	9.0
205.05112	18.2
223.06117	8.5
275.16824	5.8
293.17834	6.4
347.17093	100.0
348.17474	7.4
377.18222	26.0
391.19952	4.8
417.21429	13.6
437.21747	4.9
443.22968	6.7
455.22995	80.4
456.23346	6.0
473.23962	46.1
491.24951	46.3
519.28210	15.7
549.29395	44.2
585.27466	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
58.00610	5.4
59.01384	32.4
61.98838	31.6
62.84045	2.1
69.10619	1.8
71.01390	23.0
71.03826	4.2
71.04163	2.0
72.99319	2.8
73.02962	9.9
83.01409	3.1
85.02949	15.6
87.00867	6.6
87.04518	3.8
89.02463	19.1
93.03468	5.7
96.96034	13.2
99.00919	3.1
99.04518	3.4
101.02451	16.7
107.05022	7.6
109.02992	3.8
111.00895	7.1
113.02457	12.7
113.06116	3.7
117.03493	2.9
118.98112	2.4
119.01382	2.6
119.03519	9.9
119.05044	40.4
121.02967	9.3
123.04538	3.3
125.02465	2.4
133.02968	3.1
134.03781	22.0
135.04539	62.4
136.04881	2.4
137.02472	6.9
143.03531	2.2
145.02962	7.2
147.00874	2.5
147.04529	7.7
149.02452	16.4
149.06068	4.0
150.03224	3.7
151.03954	3.4
152.01245	2.6
153.01952	2.5
155.10735	3.0
160.01686	11.3
161.02457	4.8
161.04556	8.2
163.04031	31.2
164.04834	18.6
165.01878	9.8
165.05606	25.5
173.04610	5.3
175.00386	18.1
175.04005	10.9
176.01120	5.2
177.05553	3.7
179.03447	2.9
179.05682	4.5
179.07135	9.1
180.04216	6.0
181.05154	2.5
190.02737	65.7
190.05264	2.7
191.03445	6.8
191.05594	8.0
193.05078	6.0
195.06647	14.7
199.09673	3.3
205.05069	82.5
206.05531	2.0
207.06674	3.1
219.12341	3.7
221.08200	2.0
223.06113	21.2
227.12846	3.2
229.14470	2.8
235.06035	5.2
255.16017	3.3
265.07205	4.1
293.17499	2.2
295.08502	2.7
300.83807	2.2
331.21222	3.3
333.15506	2.5
347.17099	7.3
353.08826	3.6
363.20102	14.5
367.10315	28.0
369.22809	7.5
371.11356	17.3
371.24249	5.0
379.19614	2.5
381.17581	9.5
455.22925	5.1
473.23938	5.1
491.24481	3.1
493.26620	58.4
494.26773	5.8
495.25467	2.4
503.15637	100.0
504.15863	11.1
515.15643	4.9
533.16663	28.7
533.29486	4.5
534.16840	3.4
551.17859	22.8
551.30878	18.4
552.18195	2.7
587.28937	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	587.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12395	2.5
57.03461	4.1
59.01387	21.8
59.88326	2.6
61.50130	2.6
61.98838	30.4
71.01381	20.9
71.57836	3.1
75.00867	3.1
79.95759	2.6
83.01411	3.8
85.02948	6.4
85.65688	3.2
86.93307	2.7
87.00877	22.5
89.02456	19.5
93.03465	4.1
95.01380	3.0
96.96030	32.1
101.02474	11.1
108.02175	7.2
111.00887	7.7
113.02449	6.9
119.03507	7.6
121.02964	6.9
123.04561	4.5
129.02003	8.8
135.04556	4.3
136.01715	5.4
137.02463	4.3
139.31584	3.0
147.03084	6.3
149.02475	11.2
150.03235	12.2
151.04021	6.2
163.27275	3.4
164.04834	3.0
165.05617	14.3
173.04572	5.8
177.05556	2.7
179.05687	7.7
191.02042	9.9
191.05632	15.8
195.03026	6.9
195.06631	6.7
301.28516	3.2
340.08936	3.2
421.08591	3.0
525.15411	4.1
551.27112	36.8
587.24744	100.0
588.25482	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	587.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.0
59.01381	5.1
59.72668	1.1
61.98825	3.2
71.01411	1.3
76.25499	1.0
79.95750	1.4
83.05048	8.9
85.02952	1.2
95.05030	1.6
96.96017	4.4
97.06605	10.0
109.06593	2.3
111.08171	43.7
114.79163	1.4
123.08175	5.1
125.09743	78.6
126.10082	1.4
129.09219	2.0
169.08699	1.7
173.04723	1.7
173.08208	34.2
187.09776	62.0
229.10904	1.3
247.11877	3.9
261.13416	7.8
291.19769	6.6
331.54486	1.3
340.59515	1.2
417.21274	19.8
430.75250	1.5
431.23032	8.2
569.29639	1.4
587.30835	100.0
588.31012	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	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26777	1.9
57.03469	2.2
59.01392	21.3
61.98836	3.9
69.32936	6.8
69.33362	10.1
71.01408	3.4
74.10535	2.2
83.04990	1.9
85.20535	2.0
89.02438	2.7
95.10677	2.1
96.96027	6.6
97.02958	2.0
101.02470	6.6
121.02943	2.7
121.10238	3.0
121.85775	2.0
125.09705	3.8
161.04628	3.7
185.11827	5.9
253.09319	19.3
263.19946	4.2
272.94504	2.1
273.18558	3.4
291.19699	100.0
292.19931	5.7
447.13297	3.3
473.06860	2.0
520.49475	2.5
527.28723	12.2
587.06116	4.1
587.31049	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	587.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.0
61.98826	18.8
71.01380	8.4
71.05012	18.8
71.19017	9.5
96.96021	16.9
112.07982	5.3
112.48595	4.9
113.02523	5.2
127.74187	4.0
161.04599	5.8
163.03821	4.7
193.24715	4.1
197.63557	4.3
207.13893	4.4
253.09283	16.0
262.42133	5.0
281.23645	4.0
291.16656	6.9
291.19699	100.0
292.13785	4.3
292.19919	6.5
320.72272	4.3
325.43835	4.6
367.61795	4.9
378.98544	4.9
379.85150	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	588.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.9
59.62684	0.5
61.98838	100.0
71.01406	1.6
71.56081	0.5
73.02974	0.7
73.03618	0.5
80.57720	0.5
85.02968	1.5
87.00881	0.6
96.96008	3.1
99.00903	0.6
101.02438	0.8
137.02464	0.5
140.90042	0.5
150.03273	0.7
165.05589	1.0
171.10316	0.6
173.04639	0.6
178.72842	0.5
191.05681	0.5
195.06729	0.8
208.90395	0.7
271.02576	0.6
299.02222	1.1
314.04303	1.0
329.06772	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	588.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23339	0.4
58.07879	0.4
59.01385	2.1
61.98836	100.0
65.01680	0.4
71.01374	1.4
73.02938	0.6
85.02970	1.4
93.03483	0.9
96.96020	1.8
101.02486	0.9
137.02489	0.6
150.03313	0.9
163.04045	0.6
165.05556	1.0
171.10352	0.8
173.04675	0.9
191.05592	0.8
299.02036	0.7
311.71658	0.5
314.04431	1.0
329.06754	1.7
370.92041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01389	2.1
61.98837	4.3
64.44949	0.3
69.03459	0.4
71.01385	0.9
71.55986	0.4
78.57275	0.2
78.95903	0.6
79.95744	3.3
83.01384	0.3
85.02945	0.8
93.03465	0.5
96.96022	100.0
97.02949	0.3
101.02433	0.5
107.01412	0.5
108.02197	0.7
108.91205	0.2
111.00889	0.4
111.23022	0.2
114.93411	1.1
125.02436	0.5
135.00906	0.9
137.02400	0.4
143.03564	0.3
151.00366	0.3
152.01190	1.4
160.04053	0.5
161.02515	0.7
164.04736	0.3
171.10278	0.5
173.04576	0.5
191.05678	0.5
193.05049	0.3
242.05946	0.3
243.06679	2.3
283.70685	0.3
490.10101	0.3
545.09833	1.0
589.33014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03449	0.2
59.01389	2.1
59.20879	0.2
61.98836	1.2
71.01385	1.9
71.57227	0.3
72.99329	0.7
73.02950	0.6
73.97195	0.2
75.00893	0.4
77.03985	0.3
78.95914	0.5
79.95749	3.1
83.01387	0.2
85.02956	1.6
87.00902	0.7
89.02469	1.3
89.03957	0.2
93.03469	0.6
95.05060	0.3
96.96024	100.0
99.00871	0.3
101.02471	1.2
102.41845	0.2
105.03493	1.8
107.64206	0.2
108.02177	0.4
109.02979	0.3
111.00887	0.9
111.04561	0.4
112.42677	0.2
113.02467	0.7
119.03530	0.4
119.05051	0.4
120.55019	0.2
121.02975	0.8
122.03353	0.2
125.02487	0.4
128.03592	0.9
132.02249	0.2
132.04581	0.4
133.02972	8.3
134.03723	0.6
135.04544	0.9
137.02443	0.7
149.02504	0.5
151.04059	0.2
153.05588	0.3
155.03503	0.4
158.06100	0.9
159.06480	0.4
161.02451	0.4
161.04625	0.4
164.04813	1.0
171.07817	0.3
173.00954	0.3
173.04617	1.9
174.01747	0.3
177.01945	6.4
178.02626	0.3
179.03520	0.7
179.05742	0.2
179.07191	0.7
185.36612	0.2
188.72403	0.2
190.02788	0.6
191.03767	0.4
191.05656	1.6
193.04822	0.2
197.04585	0.6
202.05055	0.3
205.05177	0.3
207.03018	1.3
222.05400	1.0
223.06155	0.6
237.07747	1.5
249.05618	0.6
265.07233	0.3
309.03833	0.2
363.20374	0.4
382.11478	0.6
383.07629	0.6
383.11951	0.5
391.27106	0.3
415.10516	0.4
491.12399	0.5
553.23822	0.3
553.32367	5.8
589.21259	0.8
589.30170	0.7
590.30615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88280	0.3
59.01384	2.4
60.99317	14.5
61.98840	0.9
65.55077	0.4
71.01405	1.6
71.55853	0.5
72.10286	0.3
72.99344	0.3
85.02964	0.6
87.00906	0.4
88.98815	100.0
89.02426	1.8
89.99101	0.4
93.03474	1.0
96.96040	2.5
99.00915	0.5
101.02480	0.6
108.02235	0.5
109.02958	0.8
113.02457	1.2
119.03545	0.6
121.02968	11.9
122.03288	0.6
133.69540	0.3
135.04538	0.9
137.02448	1.0
145.91429	0.4
149.02487	0.6
149.06105	1.5
161.02469	0.9
161.04564	0.3
165.02075	0.4
173.04604	1.0
175.02505	0.8
175.03983	0.5
177.01941	0.6
179.03560	0.5
179.05667	0.7
191.05623	1.2
219.03006	1.2
223.06154	1.1
233.04665	0.4
234.05374	0.8
249.07719	1.3
264.87390	0.4
281.06723	0.6
281.48059	0.4
337.05518	1.7
371.11429	0.7
391.10397	2.7
499.10947	3.6
521.25861	0.4
589.25122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
58.69596	0.9
59.01384	11.1
60.58639	0.9
61.98830	3.5
63.05983	1.0
67.01895	1.7
69.03455	1.3
71.01391	6.7
71.13108	1.1
71.55798	0.9
71.56159	1.3
72.99324	1.3
73.02939	1.7
73.47045	1.1
73.69707	0.9
77.03960	1.3
77.38641	0.9
79.95737	2.8
81.03478	1.2
83.01386	1.1
83.05026	1.6
85.02970	7.5
85.15903	1.0
87.00889	1.9
88.98795	1.4
89.02444	2.6
89.04001	1.5
90.58799	1.1
93.03462	9.0
95.01315	0.9
95.05019	4.7
96.96024	100.0
101.02474	3.2
103.96536	0.9
105.03478	13.8
108.02216	1.3
109.02990	1.3
111.00887	7.3
111.04514	3.2
113.02468	2.7
117.09971	0.9
119.05022	1.6
121.02971	6.2
123.04524	2.4
125.02470	1.1
129.01953	1.3
133.02979	92.7
134.03662	3.1
135.04529	6.6
137.02446	5.0
147.00890	1.4
149.02473	2.1
150.03204	0.9
151.04060	1.6
152.01122	1.3
153.05551	4.7
155.03510	3.2
160.01604	2.4
161.02486	1.5
161.04529	1.6
163.04036	2.5
164.04825	4.9
167.03531	1.1
173.00850	2.8
173.04568	18.4
174.15388	1.2
177.01950	75.8
178.02734	4.9
179.03502	5.5
179.07094	2.9
191.03668	2.0
191.05617	10.5
193.05098	2.0
197.04570	14.9
207.03021	13.9
208.03687	1.0
222.05374	12.1
223.06071	3.9
237.07713	15.0
265.16528	1.1
351.07034	2.0
352.07898	1.2
365.49295	1.1
383.07797	9.2
384.07935	1.3
415.10370	5.2
529.26569	1.4
589.14917	2.0
589.28998	1.6
590.30615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01386	3.6
60.99310	0.7
61.98821	1.0
66.87530	0.3
67.01901	7.0
69.03461	1.7
71.01395	4.5
72.11320	0.3
72.58945	0.3
72.99329	0.4
77.03982	0.9
81.03476	1.5
83.01402	0.5
83.05009	1.4
85.02962	3.7
87.00896	2.4
89.02457	0.5
93.03469	35.8
94.03812	0.6
95.05034	0.9
96.96008	1.0
98.20602	0.7
99.00890	0.3
99.04523	0.6
101.02429	0.3
105.03474	4.3
108.02174	0.4
109.02984	1.9
111.00885	2.5
111.04542	5.4
113.02464	1.3
121.03002	0.4
123.04575	0.5
127.04055	1.1
129.01988	0.3
132.02222	0.7
133.02974	23.3
134.03720	1.0
135.04546	4.8
137.02473	5.7
139.04028	0.4
149.02490	0.5
150.03238	0.6
151.03984	0.6
154.99857	0.3
155.03528	5.3
160.01663	1.6
161.02438	0.9
164.04773	0.4
173.04565	100.0
174.04892	2.4
177.01952	15.8
178.02707	2.1
179.03523	2.5
179.07063	0.3
191.05630	23.4
207.02991	6.2
208.03749	0.9
215.05696	2.0
217.64375	0.3
218.33374	0.3
222.05350	4.8
223.06091	2.1
237.07707	6.1
298.04700	0.7
308.09308	0.4
313.03558	0.4
351.07211	4.0
366.09628	0.7
367.10672	0.7
369.06430	0.3
383.07724	1.6
383.13937	0.4
385.81537	0.4
397.09360	1.1
415.10223	1.8
545.16571	0.4
557.13428	0.9
589.15356	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	589.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01382	3.9
61.98841	2.3
65.00340	0.4
65.03960	0.4
67.01917	0.3
67.50583	0.4
67.59253	0.3
68.34671	0.3
69.03460	0.6
71.01390	2.9
71.28957	0.4
71.29297	0.4
73.02968	0.8
77.03962	2.0
81.03469	0.6
82.95473	0.5
83.01421	0.7
83.05047	1.9
85.02963	2.2
87.00905	1.6
88.98830	0.5
89.02457	1.4
89.03986	1.6
93.03468	5.8
95.01432	0.6
95.05042	5.3
96.20903	0.4
96.96008	3.3
98.58240	0.3
101.02456	1.4
105.03472	16.8
107.33325	0.3
108.02180	0.5
109.02934	0.7
111.00900	1.2
111.04542	4.4
113.02451	0.9
119.03555	0.6
119.05021	0.9
121.02975	1.4
123.04536	1.6
125.02430	0.4
127.04025	0.4
129.01965	0.7
132.02194	1.1
133.02971	100.0
134.03683	3.4
135.04529	6.4
137.02466	4.9
139.04060	1.2
147.00890	1.3
149.02473	1.2
150.03262	0.5
151.03970	0.9
151.79326	0.4
155.03510	5.3
160.01625	0.5
161.02496	2.8
161.04547	0.6
163.04045	0.5
164.04787	0.6
173.00963	0.5
173.04564	14.1
174.01709	0.4
175.00356	0.7
177.01947	85.0
178.02716	10.5
179.03526	5.9
184.18994	0.4
190.02766	1.4
191.03963	0.3
191.05675	2.4
193.05103	0.7
197.19881	0.4
205.05043	1.9
206.06281	0.4
207.03011	23.9
208.03632	1.2
221.04570	0.5
222.05354	24.1
223.06039	3.1
237.07700	28.4
238.07976	1.1
251.05627	0.8
253.04796	0.5
286.27545	0.4
308.08911	0.5
351.07156	1.0
367.10297	2.9
371.11438	1.5
383.07715	2.2
415.10339	14.8
416.10721	0.8
493.26639	0.7
545.16443	0.4
553.23218	2.3
553.30487	0.4
588.31805	0.5
589.15192	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	589.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01387	4.0
60.99305	1.4
61.98835	1.5
65.03956	0.4
67.01897	6.6
69.03465	1.7
69.44008	2.4
71.01393	4.4
72.99319	0.7
73.02943	0.6
75.00863	0.4
77.03985	0.6
81.03478	1.5
83.01371	0.5
83.05034	1.5
84.91605	0.3
85.02969	4.2
87.00890	3.8
88.98801	0.6
89.02466	0.7
89.04018	0.5
93.03471	42.5
94.03832	0.8
95.05035	1.0
96.96012	4.1
97.02960	0.3
98.20625	0.4
99.00888	0.6
99.04527	0.9
101.02470	0.8
105.03471	3.5
107.05123	0.4
108.02183	0.6
109.02942	2.2
111.00889	1.2
111.03826	0.4
111.04536	6.0
113.02460	1.2
115.04018	0.4
119.04980	0.3
119.74033	0.3
121.02952	0.5
123.04507	0.7
124.01634	0.3
125.02405	0.5
127.04024	1.2
132.02184	0.9
133.02971	20.2
134.03806	1.8
135.04544	7.4
137.02463	5.1
139.04015	0.4
149.02440	0.8
150.03223	0.6
151.04001	1.0
155.03517	4.5
160.01678	1.8
161.02415	1.0
171.02991	0.5
173.04564	100.0
174.04866	1.8
177.01950	14.6
178.02777	1.8
179.03490	3.4
180.04018	0.5
190.02692	0.8
191.05632	33.3
192.05963	0.9
196.52867	0.3
205.04974	0.4
207.03015	7.6
208.03767	1.4
215.05602	3.0
222.05336	5.3
223.06116	2.8
237.05533	0.5
237.07690	5.5
297.04266	0.4
307.08524	0.5
308.09122	0.8
327.04929	0.4
351.07263	3.8
352.07813	0.4
367.10370	1.9
383.07736	1.0
397.09241	1.5
408.16745	0.4
415.10455	1.8
535.66913	0.3
542.11328	0.3
557.13000	1.0
589.15527	2.0
589.24628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64218	0.3
59.01386	100.0
60.01715	0.6
61.98833	5.4
66.89579	0.4
69.48936	2.9
70.80656	0.4
78.95926	0.6
96.96049	1.2
96.97050	0.4
101.02483	0.5
134.03769	2.4
145.02960	0.9
149.06113	3.3
171.10324	1.2
173.04614	0.4
174.93423	0.4
178.80479	0.5
253.09267	2.0
275.20013	0.8
277.08704	0.5
293.21219	3.0
294.09183	0.7
295.09854	3.9
309.11462	0.6
310.12152	6.1
325.14484	20.7
326.14886	1.3
494.32990	0.4
546.48578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16911	0.2
60.88039	0.2
61.98832	0.4
63.64544	0.2
69.26599	1.2
69.27021	0.9
72.99329	2.1
75.00880	100.0
76.01221	0.6
96.16101	0.2
96.96053	0.3
97.68591	0.3
118.23893	0.3
150.00023	0.3
155.60388	0.3
277.21637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.8
61.98822	4.0
70.27327	2.8
70.27660	2.6
71.01384	6.3
71.05021	3.3
73.02930	2.0
85.02937	3.4
89.02446	5.3
96.96015	4.5
98.20585	1.5
101.02446	6.4
105.06443	1.6
113.02364	1.5
161.04550	2.3
164.71404	1.5
173.04547	2.4
180.09354	1.4
190.07907	1.6
223.17093	3.3
235.17065	17.4
253.09314	25.5
275.20172	24.4
276.20432	2.6
293.21259	100.0
294.21521	6.4
352.02557	1.7
371.65268	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30714	0.7
57.03427	0.8
59.01381	17.4
61.98837	3.5
68.43566	0.7
71.01379	4.9
71.56898	0.9
73.02943	1.2
78.65156	0.7
85.02984	0.9
85.57809	0.7
89.02458	4.1
93.03527	0.8
94.93688	0.7
96.96011	2.4
99.75874	0.7
101.02462	5.1
113.02478	2.3
113.09758	3.6
119.03540	1.1
128.75139	0.7
143.03471	0.9
161.04515	1.7
171.10225	1.9
179.05612	0.9
183.13943	3.9
195.13869	1.1
211.13390	0.9
223.13431	1.1
231.21234	0.8
235.08362	1.0
235.17026	5.9
253.09328	20.9
254.09550	1.0
275.20166	12.0
293.21249	100.0
294.21484	6.5
486.03091	0.9
529.29993	1.1
575.48621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1726
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
51.75656	0.4
59.01386	3.0
61.98847	0.9
68.61692	0.4
69.19586	3.4
69.20004	0.9
71.01400	2.9
73.02966	0.4
75.00887	0.4
85.02958	1.1
88.98837	2.1
89.02457	1.0
91.01895	2.0
93.03490	1.3
96.96039	1.2
98.19894	0.6
101.02453	1.0
103.41766	0.5
113.02454	1.2
116.92889	0.5
119.01387	6.6
119.05055	0.6
121.02958	2.6
133.02960	0.7
134.03789	0.6
135.04549	1.5
137.02477	0.9
137.47816	0.4
139.95366	0.4
147.00920	5.9
147.04538	1.0
149.02460	15.2
152.01076	0.5
155.03482	0.6
160.01712	0.5
161.02470	0.8
162.03261	0.7
163.04073	2.1
163.68665	0.4
164.04810	14.5
165.01962	1.7
165.05429	1.0
173.04604	0.9
175.00381	35.7
176.00859	1.1
177.05659	1.0
179.07173	3.2
189.01938	1.2
190.02740	84.7
191.03395	5.3
191.05472	0.9
193.01469	1.1
203.03532	0.5
205.05080	100.0
206.05663	7.2
207.03026	1.3
208.03836	3.5
209.04604	0.9
217.01479	1.2
221.08257	4.1
222.05309	0.6
223.06136	26.1
224.06508	1.2
232.03781	1.8
237.07664	0.8
241.52765	0.5
247.06149	7.7
250.04964	1.1
265.07199	8.8
285.04092	0.6
295.08307	3.6
313.03674	0.8
314.04315	0.5
325.09372	6.8
329.06769	1.7
343.08450	0.6
353.08923	1.3
367.10367	27.6
368.10620	1.7
385.11444	1.8
406.24127	0.5
504.03415	0.5
591.16943	5.3
592.18213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2483
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
51.65964	0.7
59.01386	3.7
61.98842	3.9
68.05370	0.7
69.65836	2.5
69.66247	1.8
71.01382	6.5
72.99303	1.0
73.02961	1.6
78.98615	4.3
79.95744	9.4
80.96525	52.6
81.03477	0.9
83.01377	0.9
85.02955	3.6
87.00864	2.3
90.54797	0.8
94.98095	15.5
96.96030	2.4
97.02979	1.5
99.00864	1.1
101.02431	3.1
106.98091	2.4
107.05017	0.8
113.02437	1.1
116.16901	0.7
116.92942	0.9
122.97591	4.5
125.02440	2.9
127.04063	0.8
134.97560	3.1
136.99118	1.0
148.99153	4.9
152.98621	6.3
153.24045	0.7
159.54904	1.0
163.04077	0.9
164.98640	10.0
165.12787	1.1
173.04555	1.0
182.99640	1.7
191.05701	1.9
206.99669	3.0
225.00745	17.2
243.01736	1.3
291.19669	2.0
299.04428	2.0
591.24817	100.0
592.25232	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	591.2489
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
52.72413	0.5
54.99710	0.6
55.01890	0.5
57.53427	0.5
59.01384	2.3
61.98536	1.0
61.98841	18.4
63.96235	0.7
67.84838	0.5
69.32697	3.6
69.33115	1.1
71.01390	7.0
73.02951	1.6
78.98591	4.4
79.95747	11.6
80.96529	59.1
81.03461	0.8
85.02963	3.0
87.00889	2.5
87.22050	0.5
94.98102	13.2
95.01399	0.5
96.96032	1.9
97.02953	1.9
101.02470	2.3
106.98107	2.4
122.97593	3.6
125.02463	1.6
131.87547	0.5
134.97614	4.4
136.99155	1.5
147.14139	0.5
148.99165	5.7
152.98676	5.5
163.04044	0.7
164.98648	9.7
167.00323	0.5
177.45624	0.5
182.99692	0.6
185.09969	0.5
204.03200	0.7
206.99731	2.7
225.00754	14.5
291.19595	1.3
299.04483	2.4
381.88666	0.5
541.21741	0.6
566.67700	0.6
591.24866	100.0
592.25140	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	591.2619
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.77424	0.3
64.71766	0.4
70.88612	0.8
80.69602	0.3
86.42499	0.3
89.70942	0.3
92.53388	0.4
96.66279	0.3
106.06663	0.5
241.24132	0.3
255.23360	0.4
314.15964	0.3
396.17242	0.5
405.85565	0.4
429.16748	0.4
443.22943	2.2
444.19226	0.5
445.20215	1.2
445.25031	0.5
455.22476	0.7
456.23874	0.6
457.20694	0.5
458.21161	0.5
459.21698	2.3
460.22345	0.4
471.25641	2.9
472.23511	1.9
473.23346	1.4
482.21249	1.2
483.22189	0.5
484.19186	0.7
485.19864	1.8
486.20099	0.6
487.25623	2.9
488.22256	0.6
497.23584	3.8
498.23929	0.5
499.21548	3.9
500.22223	12.9
501.22519	1.7
503.21021	0.8
504.21548	0.9
513.23633	0.5
514.24078	0.8
515.24585	100.0
516.24811	11.2
518.23077	0.7
559.23633	3.4
560.23761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	89.5
58.89952	2.9
59.01102	4.8
59.01387	56.0
61.98836	14.1
69.03444	16.3
71.01391	10.6
73.02965	3.2
75.86252	2.5
79.01923	4.4
81.03464	6.6
83.01429	4.1
85.02958	19.6
87.00907	2.9
87.57223	2.8
96.96028	5.5
97.02959	9.4
99.04531	100.0
101.02437	17.2
101.79733	2.4
107.01422	14.5
108.02177	15.8
109.02989	3.1
113.02465	9.0
119.05029	4.7
123.00929	4.1
125.02464	93.0
132.02249	3.2
134.03760	6.6
135.00920	24.9
137.02489	4.8
145.05090	8.2
150.88699	2.8
151.00409	13.2
152.01166	36.6
160.01663	11.7
161.02454	3.9
161.04568	3.6
163.04012	5.3
175.03996	14.3
185.15552	3.6
193.05099	4.8
242.05811	16.9
243.06656	49.3
244.07196	3.1
269.08234	11.5
280.21228	3.2
429.11908	42.1
430.12656	4.8
447.12973	10.6
448.13614	3.7
487.32901	24.1
489.14096	4.0
505.33807	10.0
591.28021	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	591.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32300	4.3
55.74846	4.5
57.03447	5.6
58.50225	4.0
59.01386	100.0
61.98840	40.6
69.29800	10.2
69.30201	31.4
71.01385	24.0
72.83772	4.4
73.02943	7.8
78.93604	4.7
78.95870	4.4
79.34618	4.4
83.05023	6.8
85.02966	22.6
88.98804	5.7
89.02469	9.0
96.96016	18.7
98.95612	5.7
99.92596	12.1
101.02460	13.1
113.02423	12.2
116.92871	41.2
120.28033	4.4
134.03749	6.7
135.04497	6.3
157.19179	4.4
160.01648	12.1
173.04587	6.0
175.03915	6.4
191.05598	9.6
193.05055	5.5
487.32883	48.0
505.33826	22.5
566.61176	4.9
591.28351	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	592.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98838	1.3
68.85870	0.2
78.95914	1.3
79.95748	2.7
80.96510	0.3
93.03426	0.2
93.58460	0.2
96.96021	100.0
117.09840	0.2
121.03044	0.2
154.85429	0.2
161.53925	0.2
279.23358	0.3
406.72849	0.3
529.30042	0.7
576.88116	0.2
592.28778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15575	0.4
53.55390	0.4
59.01384	1.1
61.98837	100.0
69.47312	0.6
69.47717	2.4
71.01409	1.1
78.95934	0.6
79.95753	1.4
80.96526	6.8
80.96964	0.6
94.98094	1.3
96.96029	1.1
98.19794	0.5
106.19946	0.4
122.97636	0.5
134.97643	0.5
164.98677	0.8
225.00809	2.2
255.09021	0.4
256.70444	0.4
276.61142	0.5
293.21225	0.7
329.86911	0.4
518.30054	0.5
592.25018	4.7
593.16870	0.9
593.26263	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	592.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
61.98836	100.0
63.96261	0.3
70.63837	0.7
71.01391	1.2
74.51250	0.3
78.57410	0.2
78.98618	0.8
79.95744	5.9
80.96526	10.5
85.02977	0.3
87.00906	0.4
94.98096	2.4
96.96001	0.4
102.31927	0.3
105.37960	0.3
106.98154	0.4
122.97610	0.6
125.02482	0.5
130.87727	0.2
134.97620	0.8
148.99152	0.8
152.98672	0.9
158.96822	0.3
164.98648	1.9
206.99722	0.4
225.00774	2.7
299.04611	0.5
308.47855	0.3
388.80399	0.3
413.11694	0.3
455.16422	0.4
495.19168	0.4
592.25165	2.7
593.26385	17.4
603.65625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
55.86139	3.1
57.03058	2.7
58.00602	2.8
59.01385	100.0
61.98840	36.7
69.03451	3.3
69.33327	25.0
71.01395	33.4
72.99307	5.3
73.02950	15.9
74.02485	8.3
75.00896	4.2
78.95921	4.4
82.95426	4.6
83.01402	7.7
85.02958	24.8
87.00875	6.7
88.98791	5.7
89.02457	8.6
93.03468	9.8
95.01411	6.1
96.96021	10.5
99.00907	3.7
101.02458	22.7
109.02940	4.7
111.00882	7.2
113.02436	12.8
116.03481	3.1
116.92855	10.4
117.92879	3.6
119.05016	3.3
121.02966	5.3
124.01634	2.6
125.02482	4.3
128.99373	3.0
135.04512	12.3
137.02443	6.1
148.41136	2.9
149.02429	6.9
152.99597	2.9
161.02426	7.6
161.04620	6.4
163.04050	3.9
164.04810	3.5
168.93253	2.6
171.10365	3.4
173.03101	2.9
173.04550	19.4
174.04897	4.1
175.00368	11.2
179.03357	3.9
190.02727	28.5
191.03278	5.2
191.05614	15.1
200.25977	2.7
205.05051	29.5
206.05490	2.9
206.93549	2.9
223.06128	6.3
265.07150	4.5
268.03598	3.4
269.21259	7.1
271.02216	2.9
283.05942	6.6
284.06274	3.3
285.03903	5.3
286.04532	4.9
294.30051	2.9
299.01852	5.5
299.05344	5.3
300.02332	3.0
311.05573	12.4
313.03436	5.0
314.04190	14.5
315.04602	7.1
327.05069	8.2
329.06711	13.8
330.06964	19.0
341.06671	2.9
343.43036	3.3
344.28217	5.2
354.00104	4.2
357.05942	3.0
372.08124	3.3
392.21802	2.9
397.04803	4.1
401.25385	8.0
431.09808	3.7
488.26605	2.8
488.32291	77.6
489.32535	4.4
506.33115	20.6
534.13568	3.8
592.17523	6.2
593.13538	5.7
593.25635	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	593.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
57.03457	13.8
59.01386	35.1
68.99837	1.4
69.39278	3.0
69.39700	7.8
71.01390	24.2
72.99313	3.9
73.02934	2.4
75.00890	2.1
75.63927	1.3
78.14662	1.2
83.01406	3.0
84.02164	2.5
85.02960	92.9
87.00879	3.5
89.02454	15.1
89.56152	1.1
93.03462	2.8
96.96033	3.4
98.19828	2.5
101.02446	4.8
103.00375	2.7
109.02974	5.1
111.00879	4.4
113.02397	2.8
113.12627	1.3
115.00380	1.6
117.03478	1.7
118.41171	1.1
119.03490	1.6
119.05045	3.5
129.01956	15.0
129.03448	2.9
133.01460	3.4
133.02931	1.5
135.04547	2.8
137.02405	3.1
145.02968	4.9
146.03822	7.1
146.04761	1.2
147.03011	10.6
147.04529	32.2
149.02556	1.4
149.04405	1.2
159.04524	1.6
161.02463	3.7
162.03261	3.1
163.03996	2.2
173.01010	1.6
173.02452	2.3
173.04552	2.0
177.01907	2.3
179.03581	1.7
189.05611	2.4
191.02000	46.3
191.05634	3.0
192.02414	1.7
199.16083	1.6
209.03043	69.3
221.04529	2.2
225.53368	1.2
229.01405	3.9
230.59946	1.2
237.05388	1.8
249.86794	1.5
253.05103	2.0
269.04526	8.6
280.03864	2.3
281.04492	9.2
282.05301	3.8
283.06158	5.3
284.03296	2.9
285.04034	1.3
293.04425	2.0
295.06158	4.3
296.03662	1.4
296.06879	4.5
297.03998	9.2
297.07568	4.0
298.04813	12.7
298.08124	2.2
299.05560	3.5
308.03262	14.6
309.04083	8.2
310.04849	1.9
311.05554	6.2
311.09207	4.7
312.02832	6.6
312.06415	5.2
313.03433	2.3
313.07336	2.9
313.10724	7.6
323.05621	36.3
324.06195	2.4
325.03540	2.5
325.07178	2.0
326.04294	2.5
327.05103	11.3
328.05905	1.5
339.08664	1.7
341.06625	15.6
353.06586	3.7
357.09775	5.7
371.07846	4.2
383.07773	28.5
384.08206	1.8
401.08588	2.2
413.08649	3.0
414.80490	1.4
431.09988	8.0
443.09933	19.4
503.11917	6.5
533.26141	1.8
575.14209	3.9
593.15167	100.0
594.15350	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	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78055	0.2
54.51656	0.2
59.01373	0.3
64.09856	0.2
66.97807	0.2
69.39486	0.6
69.39901	1.3
73.42601	0.2
77.03982	0.4
78.98607	0.3
79.95725	0.3
80.96516	2.5
93.03486	0.3
94.98116	0.5
95.01393	0.3
101.02419	0.2
120.02186	0.9
121.02969	100.0
122.03286	2.1
149.19739	0.2
164.98672	0.3
165.01936	5.1
171.36404	0.3
180.05870	0.6
181.05061	0.4
181.06581	2.4
192.25916	0.2
197.06044	1.6
207.04561	0.8
209.04567	59.4
210.04930	1.6
223.04012	0.5
225.00839	0.4
225.05573	2.0
234.48434	0.2
257.09741	0.7
301.08734	0.4
313.07101	1.5
357.06192	0.8
372.10138	0.2
383.07684	1.1
389.20944	0.2
401.08881	0.5
417.09546	1.3
505.11426	3.3
549.10400	7.2
550.11139	0.4
593.13025	10.2
593.26306	2.9
594.13312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23380	3.6
69.23793	2.0
71.01371	0.9
79.01891	0.7
83.57413	0.7
84.23653	0.6
85.02971	0.6
91.05550	0.8
93.03448	1.5
117.03481	5.9
119.05021	1.5
131.05008	0.6
133.06622	0.7
135.04555	3.1
147.04485	0.7
149.02461	1.5
149.06044	0.7
159.04506	0.7
161.02512	2.7
163.03970	1.6
173.06015	0.7
175.04056	1.8
177.01945	0.7
177.05566	0.7
179.03532	0.9
185.02606	0.7
186.07765	0.5
187.04022	1.2
189.01930	1.2
191.03532	2.0
203.03465	2.0
205.05104	0.8
207.08075	0.6
209.06088	0.6
233.04666	0.6
237.05592	1.0
253.08710	0.9
257.04764	0.7
267.06561	0.8
281.04550	1.0
282.05307	2.3
283.06161	4.0
295.06137	3.9
296.06882	3.5
297.07684	25.3
307.06131	2.6
309.07608	2.1
311.05688	4.3
323.05563	4.7
324.06448	1.6
325.07178	11.0
328.05908	2.7
335.05664	1.6
337.07294	3.1
341.06458	0.7
351.05063	0.8
353.06680	52.4
354.07101	3.5
355.08215	1.4
365.06689	5.6
383.07745	27.5
384.08026	1.8
395.07703	3.2
397.09344	0.7
413.08777	2.3
425.08731	1.3
453.05075	0.6
455.09579	1.2
473.10919	15.5
474.11380	1.5
503.12051	3.7
593.15149	100.0
594.15521	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.2
61.98829	1.2
66.24818	0.6
69.26124	3.3
69.26543	2.2
71.01378	3.6
85.02959	3.1
87.99480	0.6
89.02451	5.9
93.03461	0.8
101.02428	2.3
106.96056	0.6
113.02440	2.0
117.03463	6.1
119.03498	2.0
121.02960	0.7
126.37663	0.6
127.57745	0.6
129.02026	0.6
135.04504	0.9
147.04562	0.7
149.02422	1.7
159.04526	1.2
161.02448	1.8
161.04562	1.1
163.00316	0.9
163.03996	1.7
175.00394	1.6
177.01881	1.8
178.99930	3.3
179.05606	1.9
191.01944	1.1
191.03505	1.2
197.06203	0.6
209.02985	1.2
225.05687	1.2
239.07262	0.7
253.05067	1.4
268.03760	2.5
269.04587	6.1
281.04562	6.2
282.05350	17.7
283.06116	24.5
284.06549	1.0
293.04547	1.9
295.02505	5.8
295.05807	1.4
297.04074	37.0
297.07431	1.2
298.04578	2.9
309.04068	1.0
310.04819	1.1
311.05646	46.4
312.05969	2.7
314.04398	1.2
323.05682	3.5
327.05106	0.8
341.06650	6.0
353.06882	1.4
383.07916	0.8
430.09149	1.3
431.09900	7.0
473.10730	3.8
503.12421	0.9
533.26099	1.0
551.27142	0.8
593.15155	100.0
594.15424	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	593.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71503	5.4
54.68495	5.5
58.27388	5.3
59.01390	43.1
61.98834	18.3
71.01378	32.5
82.48197	6.2
85.02977	13.4
89.02439	30.6
93.03457	6.7
96.96024	19.7
101.02433	28.3
113.02465	13.9
115.11917	5.5
115.85749	5.0
119.03523	10.5
119.05032	9.2
119.98425	5.6
121.02979	6.2
122.04396	5.4
125.02407	6.4
139.31540	6.1
163.03998	14.3
173.04503	8.3
179.05614	20.4
184.39520	6.2
191.05669	13.6
221.06773	6.6
225.68654	5.9
233.15456	58.6
305.08466	7.9
323.09781	57.3
359.07486	100.0
557.25635	6.8
580.67102	6.5
593.15106	11.0
593.23505	94.0
593.37286	7.6
594.24664	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	593.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01151	0.8
59.01390	9.9
61.98841	4.1
67.01884	0.8
69.46535	4.6
71.01389	9.9
72.99310	3.8
73.02943	2.9
74.02480	4.8
75.00869	1.4
77.24127	0.7
83.01407	1.7
85.02962	6.1
87.00871	2.4
88.98825	0.8
89.02443	2.4
91.01908	1.5
93.03468	3.2
95.01406	0.9
96.96001	1.6
97.02934	0.8
99.00874	1.1
101.02437	5.2
103.01970	0.8
109.03009	1.4
113.02467	2.7
117.03497	0.8
119.01384	5.8
119.04980	1.1
121.02979	3.6
124.01792	0.7
133.03003	1.5
134.03777	1.7
135.04524	3.7
137.02464	2.6
145.02980	0.9
147.00883	5.5
147.04536	1.0
149.02475	14.2
150.03201	1.1
152.01158	1.1
153.01895	0.7
159.02948	0.9
161.02466	3.4
161.04637	0.8
163.04021	3.1
164.04803	14.5
165.01974	1.1
165.05577	1.3
167.03467	0.8
173.04547	4.1
175.00385	30.9
176.00987	1.3
177.01883	1.2
179.03505	1.6
179.07156	2.8
189.01944	2.0
190.02734	82.2
191.03352	3.8
191.05614	4.6
193.05199	0.9
205.05069	80.7
206.05458	2.8
208.03725	1.7
208.05574	0.7
209.04561	2.0
223.06137	22.1
224.06467	0.7
248.06895	1.4
251.05743	0.8
265.07239	1.5
299.02029	0.8
533.29456	1.5
578.23767	0.8
593.26025	100.0
594.25671	7.7
594.34839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
57.65694	0.8
59.01106	1.1
59.01384	14.9
61.98829	4.5
65.00324	0.9
69.22151	7.1
71.01383	9.3
72.99313	1.6
73.02943	1.7
74.02483	2.3
74.59299	0.7
75.00879	1.0
80.35219	0.7
83.01387	1.4
85.02957	3.3
87.00877	1.3
89.02460	3.7
91.01917	2.1
93.03498	3.9
95.01397	0.9
96.96004	1.3
98.20629	1.9
99.00850	0.9
99.04559	0.9
101.02473	5.1
107.05036	1.1
113.02466	3.1
117.03454	3.9
119.01411	5.3
119.03532	1.5
119.05054	1.1
121.02959	5.1
123.04523	1.0
125.02438	1.2
132.02164	1.1
133.02931	1.7
134.03760	2.7
135.04541	9.9
137.02458	1.9
147.00887	6.2
149.02478	20.5
150.03148	1.2
151.04054	1.1
152.01134	2.2
159.04564	1.2
161.02478	4.0
161.04578	1.2
163.04037	7.0
164.03476	1.4
164.04820	18.8
165.01898	1.6
165.05566	2.1
167.20352	0.7
173.02386	0.9
173.04575	2.1
173.86082	0.8
175.00386	33.3
176.00958	1.3
177.02008	1.8
177.05563	1.6
179.03575	3.7
179.07076	4.2
184.58037	0.8
189.01964	1.5
190.02740	86.6
191.03372	6.0
191.05624	3.3
192.04140	0.8
193.01411	1.1
193.05005	0.9
194.05717	0.8
203.07153	1.5
205.05078	75.2
206.05817	8.6
207.03014	1.6
207.06520	0.9
208.03786	3.4
209.04544	3.2
221.04721	1.7
221.08243	9.9
223.06134	36.9
228.00208	0.7
237.07643	3.4
247.06195	1.9
250.04839	3.9
251.05659	1.3
265.07202	46.4
266.07471	1.3
281.06894	1.8
283.06110	13.0
293.04568	0.8
295.05524	1.0
295.08347	12.2
311.05582	29.0
312.06122	2.2
323.05725	1.3
325.09351	17.5
326.09488	1.1
341.06848	5.9
385.11563	4.1
387.16400	2.5
413.08765	2.9
431.09760	8.7
533.30292	0.8
593.13696	3.4
593.26044	100.0
594.26343	11.2
594.34918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2642
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.06909	0.4
59.01382	0.9
61.98832	2.3
62.71257	0.4
63.96245	0.7
66.15597	0.4
69.82690	0.4
69.97559	2.0
71.01395	6.1
73.02944	1.4
78.98590	4.5
79.95748	26.9
80.96526	47.4
81.03446	0.5
85.02953	1.6
86.08183	0.4
87.00880	1.9
94.98101	11.8
96.96027	1.5
97.02968	0.8
99.00868	0.7
101.02464	2.1
104.42108	0.4
106.98095	2.3
121.98653	0.4
122.30557	0.4
122.97591	3.7
124.70376	0.4
125.02463	2.5
134.97586	3.4
136.99171	1.2
139.39134	0.4
148.99147	4.5
152.98642	6.0
163.38286	0.3
164.97321	0.6
164.98651	9.6
165.00034	0.6
179.00244	0.7
182.99707	1.8
206.99738	2.9
225.00764	16.3
241.00281	1.5
243.01788	1.5
251.05519	0.4
267.42389	0.5
271.53052	0.4
293.21249	1.1
299.04498	3.5
315.04019	0.8
317.05646	0.4
371.06549	1.6
385.08188	0.7
399.09525	1.3
413.11319	1.5
414.11713	0.4
419.67346	0.4
427.12378	0.6
441.14249	0.6
455.16058	2.2
495.19016	0.8
499.48724	0.4
523.18585	1.2
593.26385	100.0
594.26746	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	593.264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.5
59.01377	1.2
61.98834	18.4
62.98519	0.4
63.96238	0.5
69.03492	0.7
70.85763	0.9
71.01389	6.0
73.02942	1.5
75.00886	0.5
78.98600	4.6
79.95742	32.4
80.96521	53.5
85.02959	1.8
87.00890	2.0
94.98095	10.7
95.01416	0.4
96.96014	1.7
97.02951	1.3
101.02455	2.5
106.98103	2.5
121.02949	1.4
122.97618	2.6
125.02454	2.9
127.04028	0.7
134.96637	0.5
134.97600	4.1
136.99106	1.1
148.99152	5.0
152.98643	4.1
161.04572	1.6
164.98627	8.9
165.01898	1.5
167.00224	0.6
182.99753	0.4
206.99648	2.2
216.66949	0.4
225.00766	12.6
241.00287	1.8
243.01796	0.4
299.04477	3.2
312.79645	0.4
315.04065	0.7
317.16199	0.5
320.61511	0.4
338.84399	0.4
341.05670	0.8
371.06311	2.3
385.07892	0.7
399.09573	1.3
413.11279	1.4
455.16177	2.1
495.19144	2.0
523.18799	0.7
524.19275	1.0
593.26379	100.0
594.26709	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	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79799	0.4
59.01379	1.5
59.12934	0.5
61.98831	0.7
62.96415	0.8
70.97704	0.7
70.98019	0.7
78.95913	68.9
85.90848	0.5
96.96041	0.9
96.96975	14.3
121.02953	0.9
150.98068	1.4
152.99605	100.0
153.99937	0.6
171.00676	3.6
183.01079	0.5
199.13295	0.5
209.04549	0.7
223.00156	9.6
241.01222	24.2
242.01591	0.8
247.00438	0.5
259.02286	1.7
277.21744	46.5
278.22116	2.8
315.04883	15.4
316.05234	0.6
333.05942	1.4
365.26917	1.6
431.22305	0.7
593.27332	82.8
594.27679	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	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.9
70.85524	1.2
71.55886	1.4
71.56276	1.6
78.95914	90.4
81.50243	1.3
96.96008	2.6
96.96979	15.6
101.33269	1.4
121.02969	1.9
129.76263	1.1
152.99609	100.0
162.20892	1.4
171.00627	3.5
209.11864	1.7
223.00121	2.2
241.01225	31.1
277.21747	45.6
278.22174	3.6
311.22696	1.6
315.04944	11.8
331.29480	1.4
413.20975	5.5
431.22162	15.3
581.86700	1.4
593.27386	99.6
594.28125	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	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
58.00585	3.9
59.01387	100.0
59.45369	1.9
69.28210	19.3
71.01391	53.0
72.99314	3.7
73.02947	3.9
73.22654	2.1
73.30077	2.1
78.10535	2.1
83.01411	5.0
84.54833	1.9
85.02956	33.4
87.00869	4.6
89.02454	57.7
95.01390	3.0
96.96034	2.8
101.02449	34.0
111.00887	3.9
113.02468	23.3
119.03514	30.8
133.02977	3.2
143.03551	6.9
146.03764	2.9
147.04491	6.2
149.04625	2.6
161.04535	10.7
163.04100	2.4
173.04547	3.8
179.05618	29.3
191.02022	13.3
191.03412	2.1
191.05595	3.5
209.03030	8.4
281.04358	2.7
283.06042	5.4
293.04724	6.9
297.03992	3.2
298.04730	2.7
311.05795	12.4
312.06378	13.6
327.05093	9.3
383.07727	16.5
384.08264	2.7
413.08768	7.6
431.09702	9.0
447.09760	2.8
473.10837	4.7
503.11816	4.4
533.26031	52.7
534.27039	2.9
560.88745	2.5
579.73059	2.6
593.14978	57.3
594.15790	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.0
57.03456	5.3
59.01389	59.3
61.98829	14.5
63.05602	1.9
63.98544	1.9
67.01919	1.9
69.03448	2.8
71.01391	65.9
72.99323	4.1
73.02954	23.0
75.00886	4.8
83.01398	10.1
83.05008	1.9
85.02961	31.8
87.00868	7.4
89.02456	17.6
93.03487	7.3
95.01427	4.4
96.96027	13.4
97.02940	3.1
99.00880	6.1
101.02457	42.1
109.02956	3.9
111.00896	5.3
113.02457	28.3
117.03465	2.3
119.03516	10.4
119.05036	4.2
121.03004	3.7
122.03357	2.1
123.00870	2.5
125.02449	4.4
128.03589	2.8
129.01932	3.3
134.03709	2.8
135.04523	9.9
137.02467	6.2
143.03554	4.3
146.03836	2.5
147.04471	5.3
149.02505	3.5
150.03224	2.2
159.03004	3.3
160.01695	2.7
160.05267	2.2
161.02454	20.4
161.04532	17.6
162.02937	2.1
165.01772	2.7
173.02386	3.0
173.04541	11.2
174.03200	2.4
175.03996	15.0
176.04813	18.5
177.05473	2.7
179.03442	2.6
179.05647	6.0
181.05098	3.9
181.66859	1.9
189.05623	2.7
190.02702	6.6
190.06367	8.8
191.01978	3.0
191.03670	4.3
191.05626	11.8
191.07228	4.9
193.05069	2.0
205.05145	11.0
209.03015	3.3
209.15422	2.5
221.04538	2.7
221.08168	6.2
223.06180	5.7
227.03500	11.0
253.04959	2.4
255.02974	13.0
269.04337	3.0
281.04294	2.7
282.05206	2.1
283.06046	3.0
284.03229	18.4
285.04126	23.6
295.06012	3.6
296.06705	4.3
297.03992	6.9
297.07535	3.1
298.04730	2.5
299.05627	3.9
311.05624	5.0
311.09009	3.0
312.06458	3.3
324.06155	2.3
327.05075	14.6
327.08780	8.2
339.08801	11.5
340.09714	2.5
341.10196	4.0
342.11047	7.3
354.11115	3.8
357.06354	3.5
357.09406	3.1
357.13467	56.7
358.13742	3.0
367.10391	3.2
371.11438	3.1
371.16412	3.0
371.20789	40.6
372.21127	4.7
374.13843	2.1
387.14627	2.5
389.15952	2.4
401.12323	15.3
413.12521	15.3
426.03751	2.2
431.09674	8.7
431.14362	3.3
489.10370	2.5
515.15094	2.5
533.26154	100.0
534.26605	9.6
555.33887	5.8
575.13898	9.3
593.15375	46.1
593.27588	8.8
594.15247	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	593.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.14662	4.9
61.98838	44.1
71.01389	24.4
71.56774	7.7
71.57136	6.0
73.02956	12.3
79.95677	5.9
82.51438	4.8
83.01414	9.0
85.02943	27.4
89.02454	9.4
93.03463	14.2
96.96042	10.1
101.02474	12.1
111.00930	6.8
113.02457	10.8
119.03510	5.9
125.02490	6.6
137.02402	5.8
173.04556	23.6
191.01942	6.1
191.05637	17.4
260.47839	5.0
357.20767	5.8
489.34393	45.7
490.34888	9.2
507.35361	29.0
593.28259	9.2
593.37494	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	593.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36826	2.3
56.71296	2.5
57.03430	2.7
57.04630	2.3
59.01388	100.0
61.30240	2.4
61.98843	20.4
65.20657	2.7
70.75373	7.1
71.01382	14.0
72.99319	5.2
73.02949	6.9
77.93724	2.8
78.95906	4.9
79.95675	2.4
83.01384	4.9
85.02966	17.0
87.00880	3.7
93.03467	10.0
96.96034	18.1
99.00890	3.7
101.02439	10.2
113.02473	9.4
119.05078	3.8
121.03005	4.3
129.01924	2.5
133.03020	5.7
135.04539	4.2
160.01686	4.0
163.04024	3.3
173.04594	16.4
175.04001	5.9
191.02048	4.3
191.05682	13.6
205.05057	4.6
248.06891	3.8
265.34460	2.9
274.68848	2.4
277.49908	2.5
299.26111	4.3
329.06680	6.4
345.30258	3.9
449.09738	2.7
489.34427	57.2
490.34695	6.4
507.35291	21.2
508.35971	3.1
508.44186	2.7
549.32666	8.1
563.36700	3.1
564.14404	3.1
593.15259	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	593.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02289	45.3
53.71188	47.5
54.35833	45.6
77.41405	47.0
81.44244	46.5
96.96038	81.2
121.02993	100.0
194.78860	52.0
202.24188	45.7
228.44919	51.3
422.13010	48.1
449.38852	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36644	3.3
61.98837	5.7
69.49239	5.8
69.49650	19.5
75.84804	4.0
84.78210	3.8
85.11293	3.2
102.17743	4.0
114.36307	4.4
121.02967	9.7
138.97223	3.8
197.63528	3.5
199.47774	4.1
239.20171	100.0
355.13806	4.9
429.33496	8.6
511.34210	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	594.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68360	1.8
55.01880	2.0
57.03455	7.8
59.01388	100.0
61.20060	1.8
61.98839	24.2
63.05934	1.9
69.03468	2.7
69.26882	9.4
69.27317	9.5
71.01388	31.5
72.99306	3.7
73.02961	10.8
74.02483	25.5
75.00866	5.7
83.01392	5.8
85.02962	35.6
87.00890	7.9
88.98819	2.1
89.02459	4.6
89.12901	2.0
93.03473	11.7
95.01354	3.1
96.96018	6.9
97.02987	3.0
98.77856	2.0
99.00911	4.5
100.96019	2.2
101.02462	17.7
108.02201	3.3
109.02969	3.1
111.00906	7.4
113.02467	13.1
116.03517	3.6
119.05087	3.7
121.02955	3.2
125.02437	4.5
127.01631	1.8
129.01936	2.8
133.02960	2.5
134.03786	3.0
135.04504	6.0
147.02985	3.3
149.02499	4.5
159.04501	3.4
161.02412	2.5
161.04591	6.5
163.04054	3.9
164.04874	2.4
173.02394	2.6
173.04578	20.6
174.03232	3.3
175.00380	4.7
175.03987	2.4
179.03401	3.6
181.01500	2.2
187.07614	2.8
190.02783	13.9
191.01918	6.8
191.03461	4.1
191.05629	12.1
193.05113	2.4
196.03728	4.0
201.05777	2.3
203.03664	2.8
205.05093	11.4
206.05478	4.9
209.02907	2.2
214.06316	3.0
215.07063	3.0
223.06151	4.4
229.08694	2.1
230.02184	2.7
230.09535	2.0
241.21809	2.6
243.73112	2.1
271.22708	6.4
273.04089	7.4
290.65790	1.9
346.29816	2.0
389.16037	2.9
403.27020	6.5
448.08987	2.0
490.33896	87.3
491.34003	7.8
497.09332	5.5
508.35046	23.1
550.36133	4.7
594.25781	6.2
594.34766	16.7
595.27014	9.0
595.35120	4.8
616.11823	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
57.52478	1.0
59.01394	5.7
61.98824	4.0
71.01379	7.7
80.87717	1.1
84.98115	1.0
85.02941	3.7
89.02443	3.3
93.03472	25.6
95.01375	1.6
96.96009	4.3
101.02462	4.3
113.02415	1.3
121.02909	1.2
122.27460	1.0
135.04544	2.1
136.01649	2.9
137.02461	72.4
138.02916	1.1
138.26239	1.0
143.03482	1.0
151.04007	1.3
151.06126	2.2
168.04373	1.0
179.03516	19.0
191.05576	2.4
197.01202	1.0
209.04608	2.3
229.01300	1.3
239.05621	15.5
281.06616	3.7
433.13525	100.0
434.13986	5.2
530.57098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
59.01393	7.3
63.25946	1.0
69.67039	4.7
71.01389	6.7
73.02951	1.4
78.49647	0.9
83.01418	1.7
85.02972	7.8
89.02468	3.5
93.03484	1.5
95.01411	2.6
96.96016	6.6
98.20621	1.7
99.00917	0.9
101.02474	3.7
104.83025	0.8
107.05045	2.1
109.02989	1.6
111.00918	2.2
113.02491	2.2
119.05078	2.5
121.03035	1.9
123.00917	3.9
123.04601	1.2
124.01703	2.5
125.02464	3.0
127.00384	1.7
133.03012	1.1
135.04578	3.6
137.02440	3.2
138.03235	1.9
139.00394	7.9
139.04024	2.7
140.01186	0.9
145.02962	1.7
147.04578	3.3
149.02484	1.8
151.00407	2.1
151.04021	1.1
152.01178	1.0
153.01949	2.4
153.05583	1.1
159.04602	1.2
161.02451	2.4
162.03255	2.4
163.04073	3.3
165.01881	1.3
165.05606	1.6
166.02718	4.5
167.03487	2.4
173.02429	1.5
173.04602	2.2
175.00429	1.0
175.04028	3.9
176.01143	1.1
176.04460	0.8
177.01991	2.7
177.05634	4.1
178.02724	1.2
179.07104	1.7
181.05104	5.8
186.44707	1.0
189.02023	1.5
189.05730	1.1
190.02737	2.7
191.02071	1.5
191.03590	3.2
191.05606	2.3
191.07224	1.4
192.04196	1.4
192.08000	1.0
193.05046	2.7
195.06749	1.5
201.48827	0.9
203.03481	6.1
204.04337	2.4
205.05116	3.2
207.06627	2.6
209.02992	1.5
218.05878	4.7
219.06572	1.8
221.04547	1.3
233.08153	1.3
251.09322	3.3
273.69241	1.1
283.06375	1.1
343.08218	2.2
355.08328	3.5
357.09668	1.5
358.10553	11.5
370.10587	1.5
373.08682	1.3
373.13019	23.5
374.13586	2.7
385.13007	1.2
389.16177	4.0
391.17804	1.9
399.12872	1.0
403.10266	5.3
403.15079	5.2
418.12646	4.1
419.13608	1.7
433.15067	100.0
434.15353	8.6
565.15790	2.7
595.20471	38.3
595.29163	3.7
596.20782	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	595.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25443	1.5
55.01877	2.8
57.03460	7.0
58.00601	4.6
59.01386	93.6
60.99303	1.7
61.98840	42.2
67.01920	3.3
69.03472	1.7
70.23820	1.6
71.01391	65.3
71.01777	3.4
71.58637	2.1
72.99335	6.5
73.02972	6.4
75.00906	3.7
83.01424	6.1
83.05070	2.7
85.02965	24.8
87.00877	9.2
89.02453	42.7
90.46037	1.6
93.03488	5.7
95.01414	7.0
96.96007	7.8
99.00912	3.4
99.04543	2.5
101.02457	35.3
108.02200	6.3
109.02994	4.5
111.00876	3.7
113.02464	26.1
119.01466	1.9
119.03523	19.4
119.05011	1.8
121.03016	3.2
123.00935	4.9
123.04528	2.9
125.02472	4.3
131.07184	4.5
135.04602	4.5
137.02470	11.1
138.03255	4.3
139.00418	6.4
139.04036	2.1
143.03534	4.9
147.03181	2.2
147.04468	3.0
149.02454	8.6
149.04652	1.7
149.06067	1.6
151.00386	16.0
151.04037	5.1
152.01181	8.3
153.01965	6.9
153.05624	2.9
159.04597	4.1
160.05286	2.8
161.02553	7.8
161.04611	5.7
163.04053	3.7
164.01221	5.9
164.04871	5.1
165.01985	5.3
166.02740	29.6
167.03519	3.0
173.04607	5.7
173.06094	2.6
174.03250	2.0
174.98979	2.5
175.00359	13.3
175.03992	7.8
176.01234	2.2
176.04869	3.2
177.02019	6.5
179.03516	29.2
179.05614	8.4
180.04314	2.0
181.05081	45.3
181.06564	3.3
182.02275	3.8
187.04077	2.3
189.05664	1.7
190.02747	30.6
190.06447	4.0
191.01968	2.8
191.03548	4.8
191.05701	6.8
192.04332	4.6
193.01517	2.1
193.05086	4.1
194.05862	16.0
195.06688	2.6
197.04555	8.1
203.03555	15.1
205.05067	30.7
205.08698	2.6
206.05609	2.9
207.06718	3.8
208.03896	1.8
209.04677	2.9
209.08218	13.4
213.05737	2.1
218.05852	16.0
219.02939	1.5
223.06134	8.6
227.05676	7.5
227.12952	4.3
233.08192	32.2
241.05202	4.9
271.09839	3.2
287.15100	10.6
339.08908	3.8
355.08450	6.5
367.10336	23.5
370.10532	2.5
373.22144	3.1
385.09402	2.7
385.13141	23.9
389.11200	1.9
389.18430	3.4
397.13101	8.2
400.11646	3.3
415.14041	52.0
416.14368	2.8
433.15268	3.3
433.24677	2.1
449.20624	6.1
507.15649	2.8
524.81427	1.8
535.27332	11.0
553.28650	14.1
595.20563	100.0
595.30945	14.5
596.20624	13.1
596.40503	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	595.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03453	3.5
59.01390	38.4
61.98536	2.3
61.98840	37.0
71.01393	23.4
71.23625	1.4
71.56149	1.8
72.99329	3.4
73.02954	4.4
74.02473	1.8
75.00883	2.6
83.01400	3.2
85.02960	24.5
87.00890	19.3
88.98831	1.5
89.02456	12.6
93.03468	15.6
93.91207	1.3
96.96017	8.1
97.06581	1.7
99.00863	2.5
101.02460	15.4
102.98634	1.8
108.02217	2.3
109.02962	3.8
111.00874	4.0
111.04539	3.2
113.02475	9.8
117.03460	1.4
119.01385	7.0
119.03577	2.1
119.05028	4.3
121.02959	5.0
125.02435	2.4
129.01996	2.3
133.02972	1.8
134.03752	4.7
135.04575	7.5
137.02481	8.5
145.02946	2.2
147.00917	6.8
147.02994	2.4
147.04547	2.1
149.02478	20.3
150.03203	5.8
151.00392	2.5
151.04024	6.0
152.01134	4.1
153.01939	2.0
153.05548	2.2
159.04453	1.5
161.02425	3.6
161.04613	2.1
162.03198	2.3
163.04018	7.1
164.04814	20.2
165.05527	3.5
166.02672	1.9
167.03522	2.0
173.04561	15.9
173.05936	2.7
174.03223	1.4
175.00391	37.1
175.03864	3.2
176.00920	2.2
177.01920	4.5
178.02708	2.3
179.03520	40.5
179.05304	2.2
179.05627	1.8
179.07120	3.9
187.04060	2.6
189.01955	2.2
190.02745	100.0
191.01863	7.1
191.03442	9.2
191.05618	21.1
192.04288	2.5
193.05084	14.3
194.05858	23.1
195.06537	2.8
197.11861	3.0
204.04141	1.6
205.05089	95.4
206.05511	5.9
207.06583	2.8
208.03822	5.0
208.07404	3.8
209.02942	2.4
209.04774	2.2
209.08229	28.8
217.08876	1.7
223.06158	32.7
265.07104	3.6
273.04019	2.2
283.13345	5.6
295.08243	4.1
306.06995	1.3
311.12701	3.1
325.09366	1.7
327.15903	4.4
353.08722	1.9
359.18665	2.4
367.05652	2.6
367.10345	55.5
368.10703	3.1
371.15039	6.6
373.09113	2.3
377.19659	2.0
403.17929	3.5
497.09506	4.2
509.29727	3.5
535.31677	9.5
551.30750	15.7
552.31042	2.0
577.19238	61.8
578.19751	5.4
595.19037	12.6
595.28772	7.9
595.34778	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	595.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01385	6.4
61.98837	5.6
67.01893	0.6
68.99870	0.5
71.01393	5.5
71.95720	0.5
72.02575	0.5
72.99318	1.2
73.02953	1.3
74.02486	1.5
75.00869	2.3
75.12614	0.4
83.01381	0.6
85.02961	5.3
86.12760	0.5
87.00880	2.5
88.98844	0.5
89.02451	1.4
91.01901	1.1
93.03487	3.6
95.01448	0.6
96.96016	1.9
99.00932	0.8
100.14927	0.5
101.02464	2.7
107.05051	1.0
111.00887	1.1
113.02480	1.1
119.01406	4.9
119.05052	0.6
121.02955	2.9
123.04599	0.6
129.01959	0.7
132.85272	0.5
134.03751	1.7
135.04573	3.4
137.02464	1.5
147.00909	4.8
147.02972	0.5
147.04520	1.2
149.02454	12.0
150.03130	1.1
152.01204	1.2
157.74133	0.5
159.04497	0.5
161.02431	0.6
162.03252	0.8
163.03940	2.5
164.04811	10.0
165.01929	2.0
165.05290	0.8
169.05019	0.8
173.04576	4.8
175.00386	27.3
176.00827	1.2
177.01981	0.6
179.07234	1.1
185.06082	0.5
187.07695	0.6
189.01988	0.8
190.02737	69.3
191.01707	0.5
191.03343	3.9
191.05574	3.6
205.05075	67.2
206.05469	2.7
207.03087	0.6
208.03876	1.1
209.04601	2.0
214.06424	0.6
215.07048	0.5
223.06133	13.6
224.06360	0.7
230.02292	0.5
251.05754	0.8
251.08934	0.5
389.16202	1.1
403.17886	1.1
497.10468	0.5
497.17880	1.5
563.21820	0.8
565.22772	0.8
580.25177	1.1
595.27570	100.0
596.27881	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	595.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03444	2.2
59.01385	8.6
61.98841	4.7
67.44153	0.6
69.65461	3.7
69.65870	1.2
71.01390	7.8
72.99322	2.2
73.02942	2.2
74.02478	1.6
75.00872	1.2
75.74125	0.7
83.01397	1.3
85.02958	9.5
87.00896	3.8
89.02477	1.5
91.01906	1.3
93.03470	5.4
95.01393	0.9
96.96019	2.2
99.00887	1.6
101.02460	3.8
101.65550	0.7
107.05037	1.1
109.02961	0.8
111.00888	1.5
111.04556	0.8
113.02496	1.7
116.03584	1.0
119.01410	4.2
119.03493	0.6
119.05051	1.4
121.02965	2.9
122.03802	0.7
125.02476	0.9
128.03577	0.8
134.03714	2.2
135.04565	6.5
137.02449	2.2
147.00894	5.6
147.02921	1.0
147.04530	1.8
149.02464	9.7
150.03163	1.1
152.01160	2.3
159.04512	0.6
161.02451	1.6
161.04642	0.9
163.04053	3.4
164.04811	12.2
165.05553	2.1
173.04585	8.3
174.03264	0.9
175.00375	26.6
175.03961	0.9
176.00902	1.0
179.03535	0.9
179.07138	2.1
181.23695	0.7
190.02737	68.7
191.01900	1.9
191.03333	3.0
191.05618	6.2
205.05077	70.9
206.05434	2.8
207.10353	1.3
208.03699	1.0
209.02945	1.4
209.04669	1.6
214.06337	0.9
215.07079	1.0
223.06154	12.3
224.06621	0.8
230.02153	0.9
273.04074	1.8
289.87836	0.7
321.08279	0.8
327.15909	0.8
345.17227	0.9
357.13684	0.8
371.14966	1.2
389.16321	1.1
403.17798	1.7
461.20251	1.3
468.15942	0.7
497.09253	1.4
535.32239	1.0
580.24823	1.1
595.27637	100.0
596.28156	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	595.2765
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
55.01873	0.7
57.03447	0.9
59.01387	8.3
61.98830	7.8
65.00340	0.8
70.32926	2.0
71.01396	7.2
72.99313	1.4
73.02948	2.3
74.02486	1.6
75.00870	2.7
80.76485	0.5
83.01373	0.8
83.05039	1.0
85.02960	6.2
87.00886	1.9
89.02457	1.7
91.01904	1.3
93.03470	3.8
95.01450	0.6
96.11713	0.4
96.96026	2.0
97.02972	0.7
99.00871	1.0
101.02443	3.8
109.02934	0.7
111.00922	1.0
111.04566	0.8
113.02442	2.4
119.01393	4.6
119.03500	0.5
119.05042	0.9
121.02956	2.9
129.01941	0.8
133.02962	1.1
134.03748	1.3
135.04547	4.4
137.02437	1.1
147.00893	4.5
147.04532	1.5
149.02460	12.8
150.03218	0.7
152.01117	1.5
159.04533	0.6
159.84132	0.5
161.02444	1.3
161.04628	0.8
162.03308	0.9
163.04024	3.1
164.04805	11.0
165.01961	1.1
165.05553	1.2
173.04585	5.1
174.03270	0.9
175.00392	30.5
176.00827	0.9
179.03477	0.7
179.07137	1.7
190.02747	72.7
191.03304	3.5
191.05600	4.9
194.02089	0.5
203.03539	1.2
205.05078	69.3
206.05435	3.2
207.02971	1.0
208.03741	1.2
209.04576	1.9
223.06133	15.1
224.06487	0.9
227.07172	0.9
229.05307	0.5
232.07631	0.6
265.07175	1.2
273.04086	1.1
283.13428	1.8
297.87207	0.6
309.15060	0.6
311.13464	0.6
327.16077	1.5
329.14124	0.6
339.10043	1.0
345.17166	0.9
359.18518	0.9
367.10397	1.2
377.19598	1.8
389.16031	1.4
403.17334	0.7
421.18558	1.2
497.09186	1.5
535.31067	1.3
544.34515	0.5
551.30713	1.0
577.23126	0.6
580.25604	0.8
595.27582	100.0
596.27814	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	595.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66116	0.5
57.03442	1.3
58.00601	0.7
59.01109	0.8
59.01386	10.3
59.03976	0.5
61.57851	0.6
61.98836	18.1
62.53027	0.6
67.01901	0.8
69.21909	1.2
69.22306	5.5
71.01383	6.3
72.99306	1.6
73.02958	2.0
74.02467	2.2
75.00880	0.8
81.03471	0.6
83.01399	1.2
83.05029	0.8
85.02969	6.8
85.72323	0.6
87.00888	1.8
88.98826	0.9
89.02444	2.6
91.01897	1.4
91.05566	0.6
93.03470	5.1
96.96034	3.2
98.19901	1.0
99.00884	1.0
101.02477	4.3
107.04996	1.0
109.02963	0.7
111.00890	0.9
111.04528	0.8
113.02446	2.6
119.01432	4.6
119.05055	0.9
121.02977	3.1
132.02216	0.6
134.03777	1.5
135.04521	4.9
137.02429	1.8
142.34729	0.6
145.02951	1.0
147.00877	5.0
147.04575	1.1
149.02455	12.5
150.03203	1.2
151.04062	0.8
152.01160	1.3
161.02451	2.1
161.04517	1.1
162.03253	1.0
163.04057	3.0
164.04803	11.6
165.02016	1.6
165.05507	1.5
169.05003	0.8
173.04547	3.5
174.03236	0.7
174.63472	0.6
175.00383	26.8
175.03973	1.0
176.00919	0.6
177.05542	0.7
179.03519	1.3
179.07135	2.4
181.04883	0.7
187.04039	1.2
190.02734	67.3
191.03308	3.1
191.05626	14.7
201.05603	0.7
203.03571	0.7
205.05066	67.8
206.05460	2.3
207.02950	1.2
208.03770	1.2
209.04559	1.9
222.05217	0.7
223.06133	13.0
224.76212	0.6
230.02246	0.6
251.05493	0.7
251.09239	0.7
262.07208	0.6
273.03882	0.9
283.13412	3.5
301.14514	1.1
327.16147	1.4
329.13998	1.0
345.17130	1.2
353.14047	0.9
359.18805	1.4
371.14914	2.2
377.19531	3.0
403.17654	5.8
497.09482	1.4
535.31354	1.5
551.23029	0.7
551.30719	4.1
559.27405	0.9
563.21155	0.8
580.25562	1.0
595.27612	100.0
596.27979	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	595.2803
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
55.01851	0.5
59.01390	1.2
60.21911	0.5
61.98818	2.3
63.96217	1.3
69.03474	0.7
71.01390	7.6
71.55888	0.6
73.02938	1.4
78.98597	4.9
79.95742	9.8
80.96523	62.3
81.03418	0.8
82.96098	2.4
85.02962	3.2
86.74979	0.5
87.00876	2.8
89.05398	0.6
94.98100	14.6
96.95996	3.4
96.97659	0.9
97.02928	1.3
101.02434	1.9
106.98091	3.4
121.02988	2.6
122.03301	0.8
122.97607	2.7
125.02454	3.0
127.04004	1.0
134.97591	4.6
136.99141	2.3
148.99159	5.3
152.98642	5.4
160.03893	0.5
164.98651	11.8
176.62582	0.5
206.99741	2.8
209.04494	1.7
209.11786	0.7
210.04866	0.7
210.78836	0.5
211.04988	0.7
218.01631	0.5
224.98662	1.0
225.00761	14.1
277.21567	0.7
295.22723	1.3
296.23068	0.7
299.04520	2.8
370.89194	0.5
521.30780	0.6
595.27850	100.0
596.28168	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	595.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23117	1.2
59.01364	1.3
61.98838	2.8
71.55585	2.0
78.95912	84.2
94.29584	1.4
96.96023	4.0
96.96985	13.7
98.95605	7.9
98.96387	1.5
101.02455	1.6
140.85893	1.2
147.24338	1.2
150.98016	2.1
152.99602	100.0
171.00629	3.3
177.76208	1.6
181.12216	1.6
207.10197	1.7
225.11328	1.8
241.01205	25.5
277.21606	2.1
279.23312	56.2
280.23590	2.0
295.22772	1.5
311.22321	1.7
315.04874	8.4
356.06879	1.5
410.08185	1.4
415.22476	4.4
424.07828	1.4
433.23502	15.1
595.28955	90.8
595.37891	5.3
596.29297	7.6
620.92822	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	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.72863	0.7
67.37331	0.9
70.22016	1.2
70.22365	2.4
70.92981	0.8
78.95914	67.4
85.59594	0.7
96.96971	13.6
98.20077	1.7
98.20591	0.8
109.11813	0.7
142.25780	0.8
150.97937	2.1
152.99611	100.0
168.50438	0.8
171.00635	2.5
192.57057	0.8
203.11258	0.9
210.54628	0.9
223.00194	10.8
238.55635	0.9
241.01218	26.7
242.01402	0.9
259.02179	1.8
261.22116	0.9
279.23325	69.5
280.23633	3.2
315.04919	18.0
333.05975	1.5
483.30069	0.9
595.28949	94.6
596.29309	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	597.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.2
60.62025	0.3
68.99831	0.3
69.54608	1.7
71.01385	2.1
73.02962	0.6
78.95911	1.1
79.95747	2.7
80.33918	0.3
83.01414	0.6
85.02946	0.9
87.00874	2.1
89.02455	0.5
91.05507	0.3
91.06089	0.3
93.03461	3.4
95.01389	0.5
96.01006	0.3
96.96021	100.0
99.00888	0.4
101.02442	1.1
105.92800	0.4
108.02183	10.0
109.02965	5.5
111.00874	1.7
112.98843	0.3
113.02445	0.6
117.83347	0.3
119.03594	0.3
121.02956	1.0
122.03747	1.1
123.00882	0.5
124.01623	0.3
125.02414	0.3
133.02945	0.3
135.04494	0.3
136.01662	0.5
137.02460	6.4
137.35309	0.3
142.99889	0.4
143.04970	0.3
147.03001	0.3
149.02455	2.0
150.03250	7.1
151.00336	0.8
151.04005	0.8
152.01164	13.8
153.00868	0.3
153.01962	3.8
161.02376	0.4
163.03973	0.4
164.04747	1.4
165.05583	8.8
166.02696	1.0
173.00914	0.6
174.01642	0.3
175.04012	0.3
176.04721	0.4
177.02025	0.3
178.06281	0.3
179.03494	0.7
179.07030	0.4
180.04199	0.8
180.48306	0.3
181.05133	1.7
182.71573	0.3
190.06429	0.3
191.03441	0.8
191.05440	0.3
191.07115	0.4
193.08592	0.4
194.05766	0.5
195.06638	4.3
205.58751	0.3
206.05786	0.4
209.08139	0.6
221.08119	0.5
249.07605	0.5
262.04608	0.7
264.06387	0.3
265.06961	0.9
277.07141	0.6
281.06717	2.7
291.08661	0.4
315.07248	2.3
337.09280	2.9
342.10675	0.3
350.23413	0.3
357.13312	0.5
369.13242	0.8
387.14493	0.4
391.09988	0.4
405.15591	0.3
413.12488	0.4
417.14935	0.8
435.09326	13.3
436.09714	0.6
443.12991	0.4
461.14691	3.4
473.14084	0.4
477.09982	0.7
499.10565	0.8
533.16364	0.7
550.56079	0.3
579.17053	1.5
597.14532	14.6
598.14783	1.1
622.35840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01387	2.0
68.27423	0.4
68.99819	0.6
71.01379	2.5
73.02950	0.7
78.95910	1.2
79.95742	3.5
81.03482	0.7
83.01422	0.6
83.82814	0.5
85.02960	1.9
87.00864	2.3
92.83475	0.5
93.03461	6.5
95.01402	0.4
96.96020	100.0
97.02956	0.9
99.00894	0.9
101.02442	2.3
108.02187	21.5
109.02975	11.0
111.00898	1.3
113.02466	0.8
121.02971	1.2
122.03730	1.8
123.00898	0.5
123.04513	0.5
124.31385	0.4
133.02995	0.6
133.98111	0.4
135.04469	0.8
135.79463	0.5
136.01726	1.0
137.02455	14.1
138.03116	0.4
149.02444	2.0
149.06110	0.5
150.03236	8.5
151.00392	0.6
151.03969	1.9
152.01164	29.2
153.01959	7.6
160.34430	0.4
161.02419	1.1
163.04031	0.8
164.04660	1.2
165.01875	0.8
165.04372	0.6
165.05598	9.2
166.02682	1.2
173.00832	0.7
174.01646	0.6
179.03461	1.3
179.07060	0.7
180.04150	0.6
181.05037	2.3
191.03523	0.6
191.05505	0.9
194.05785	0.6
195.06645	4.6
203.03424	0.8
205.04909	0.5
209.04607	0.5
221.04488	0.7
243.12886	0.4
247.02107	0.6
262.04675	0.5
264.06213	0.6
265.06998	0.8
273.17599	0.5
277.07233	0.6
281.03986	0.6
281.06705	6.1
315.07166	4.5
322.82013	0.4
337.05530	0.7
337.09109	2.7
386.11960	0.4
387.14319	0.5
391.10059	1.4
399.39716	0.5
403.10535	0.5
405.15094	0.5
417.15210	1.2
435.09326	28.5
436.09238	1.7
461.14532	3.9
477.09879	1.1
499.10565	0.5
533.16504	0.6
553.15955	0.5
579.16785	1.1
597.14380	31.1
598.14630	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	597.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.1
69.03468	1.4
70.69121	3.8
71.01387	8.8
72.99315	1.9
73.02947	4.3
79.56758	1.2
83.01417	6.2
85.02967	5.1
87.00880	29.7
88.01162	1.4
89.02437	6.5
93.03468	5.7
96.96020	31.3
99.00883	4.4
101.02435	8.0
106.80662	1.2
108.02180	5.4
109.02951	3.7
110.00100	1.7
110.35437	1.2
111.00896	29.3
112.98824	1.8
113.02464	3.1
115.00378	1.4
121.02969	5.0
122.03735	9.8
123.00869	1.2
123.04561	2.0
129.01949	3.8
131.03535	3.2
133.02974	2.6
135.04526	2.7
137.02458	5.9
138.59760	1.3
147.03004	1.7
149.02460	22.7
149.04518	2.7
150.03242	83.8
151.00400	3.1
151.03990	9.4
152.01152	5.9
153.01950	1.9
161.02426	3.4
163.04060	2.5
164.04834	11.5
165.05582	82.3
166.02725	8.9
166.05942	2.6
173.00958	2.1
173.04604	3.1
175.04050	2.8
176.04816	4.6
179.03499	6.9
179.07153	10.0
180.04292	6.5
181.05092	13.3
189.05629	1.9
190.02730	2.9
191.02014	2.9
191.03896	1.1
191.05659	6.5
191.07208	2.4
193.05051	2.2
194.05896	6.6
195.06641	25.8
205.05096	2.6
206.05803	1.8
209.08173	7.7
217.04869	1.4
219.03043	2.0
221.08174	2.2
234.05374	2.4
235.06117	1.3
236.07126	1.3
247.06189	2.3
249.04021	4.1
249.07741	5.0
250.05031	1.4
261.07645	2.2
263.05499	1.6
264.06412	10.3
265.07233	8.7
276.06537	1.8
277.07312	1.5
279.08762	2.3
291.08798	2.3
303.08780	2.1
312.06656	1.7
321.09457	1.7
327.08658	2.8
335.06580	1.3
337.09265	8.9
342.11023	4.7
342.66138	1.3
357.09659	2.2
357.13397	9.0
373.00195	1.6
375.14639	2.5
387.14740	1.6
394.81857	1.3
399.14761	1.8
400.10236	1.5
405.15555	8.3
413.12473	5.9
416.17279	1.3
417.15613	5.1
435.09326	5.7
435.16721	1.8
461.14587	53.9
462.15094	2.8
487.15970	4.1
505.16989	4.0
521.16693	5.3
521.24701	1.3
579.16998	9.6
597.18365	100.0
598.19031	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	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
58.00584	3.1
59.01388	61.6
71.01391	42.6
71.56366	1.5
72.01750	1.6
72.99301	4.3
73.02955	3.8
75.00886	2.0
83.01392	5.1
85.02969	12.8
87.00890	11.5
89.02457	41.4
90.45896	1.6
93.03484	5.8
95.01376	4.5
96.96016	6.4
97.78277	1.5
99.00887	3.2
101.02461	21.2
108.02200	3.2
109.02948	2.8
111.00894	11.4
112.98823	3.9
113.02472	15.2
119.03507	18.5
121.02973	5.6
122.03778	10.4
123.00881	10.6
128.71970	1.7
131.03534	4.0
133.02998	2.8
135.04533	3.8
136.01651	1.9
137.02461	5.4
139.00410	2.9
139.04065	1.8
143.03482	2.7
147.04494	3.1
149.02464	18.8
149.04521	3.5
150.03244	86.7
151.00389	25.2
151.03947	3.1
152.01137	2.9
153.05531	1.9
161.02449	7.5
161.04547	4.0
163.04004	2.1
164.04796	8.7
165.01909	2.5
165.05592	98.5
166.02731	59.0
166.05876	3.5
167.03241	2.1
173.00897	4.9
173.04532	4.1
174.01646	4.3
174.03146	2.8
175.04024	11.6
176.04810	4.1
177.05519	1.9
178.06313	2.8
179.03499	4.5
179.05614	8.3
179.07138	5.7
180.04338	8.5
181.05089	100.0
182.05432	2.2
189.05519	1.9
190.02722	1.8
190.06430	9.5
191.03462	5.4
191.05534	5.0
191.07150	3.8
193.08661	3.9
194.05835	4.8
195.04822	3.1
195.06641	49.6
205.05080	5.0
205.08694	19.0
206.05817	3.2
209.08179	5.0
219.02934	2.1
221.08142	3.8
233.08131	1.9
234.05193	2.5
249.07785	2.2
261.04141	2.3
262.04858	5.5
264.06458	2.7
265.07095	4.9
265.19717	1.7
276.06522	2.7
277.07288	11.9
293.04611	2.5
295.08292	3.1
308.06958	2.0
309.07336	2.0
317.10266	3.1
323.09201	6.4
327.08746	2.2
337.09348	30.6
338.11786	3.0
339.08591	4.2
342.10956	2.4
357.13519	5.5
369.13452	10.6
372.12311	4.0
384.11832	2.4
387.14545	45.4
388.14844	1.7
399.14536	17.1
400.09906	2.0
405.15353	4.8
417.15594	6.0
426.66251	1.8
435.16571	1.9
461.14578	22.5
473.14307	2.6
533.17108	2.5
579.17120	10.7
597.18201	72.8
598.18494	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	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.98833	0.3
69.03464	0.3
69.16784	1.4
69.17221	1.4
71.01386	3.3
72.99301	0.4
73.02959	0.7
78.95917	0.9
79.95747	3.0
81.03446	0.4
83.01414	0.6
85.02945	1.6
87.00877	5.0
89.02457	2.2
93.03455	2.4
95.01375	0.4
96.96021	100.0
99.00883	1.0
100.01671	0.6
101.02464	1.9
108.02177	4.7
109.02963	2.7
111.00901	3.0
112.98840	0.7
113.02481	1.1
119.03559	0.6
121.02983	0.9
122.03754	1.7
123.00895	1.2
123.04482	0.3
124.98740	0.3
125.02478	0.6
129.01942	0.4
131.03491	0.5
132.03014	0.3
133.02960	0.6
135.04510	0.3
136.01624	0.4
137.02455	2.8
137.03226	0.3
142.99883	0.6
147.04567	0.3
149.02457	3.8
149.04532	0.4
149.06064	0.3
150.03242	14.2
151.00401	1.2
151.03996	1.3
152.01172	5.3
153.01938	2.2
161.02486	1.2
163.04037	0.9
164.04793	2.3
165.05577	16.4
166.02725	3.4
166.05936	0.3
167.03505	0.9
168.04243	0.3
173.00865	1.4
173.04547	0.6
174.01782	0.6
175.04088	0.8
176.04802	0.7
177.01964	0.4
179.03549	1.3
179.07191	1.2
180.04323	1.4
181.05087	5.2
188.04776	0.3
190.02884	0.4
190.06480	0.5
191.03603	1.3
191.05630	0.9
191.07147	0.7
191.52341	0.3
193.08797	0.5
194.05923	1.2
195.02985	0.3
195.06647	7.4
195.08328	0.5
203.03551	0.6
205.05121	0.7
205.08751	0.3
206.05841	0.6
207.06668	0.5
209.04613	0.5
209.08173	1.8
219.03070	0.7
221.04774	0.5
221.08272	1.0
234.05377	0.3
247.02637	0.6
248.06697	0.3
249.07777	0.7
261.04080	0.8
262.04889	1.4
263.81128	0.3
264.06613	1.3
265.07376	0.9
266.08121	0.3
276.06561	0.7
277.07135	1.9
281.06799	1.1
315.07513	0.9
327.08936	0.4
337.05588	0.5
337.09225	5.0
357.13824	0.9
369.13409	1.5
387.07162	0.4
387.14536	1.4
399.15088	0.4
404.60059	0.3
405.15961	0.9
413.12704	0.8
417.15482	1.3
419.28116	0.3
435.09344	5.8
435.16187	0.4
443.13693	0.4
461.14526	6.8
462.15158	0.6
473.14856	0.8
491.16382	0.3
499.11395	0.9
521.17480	0.5
533.17291	1.0
561.16931	0.4
579.17212	2.5
580.17615	0.4
597.18494	16.2
598.18951	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92089	1.1
58.00605	1.4
59.01384	26.8
61.98833	6.2
68.99836	1.4
69.66640	5.8
71.01385	18.7
72.99322	2.1
73.02963	1.3
75.00905	1.3
81.03463	6.7
83.01408	8.7
83.83780	1.1
85.02960	8.0
87.00892	2.3
89.02458	17.9
91.79182	1.1
93.03465	8.5
95.01398	3.2
95.05042	3.4
96.96013	3.7
97.02957	3.2
99.04529	1.6
101.02439	10.3
102.01981	2.3
102.29667	1.1
102.40274	1.0
104.67667	1.1
104.92144	1.2
107.05042	2.0
108.02135	2.5
109.02972	4.8
111.00903	2.1
111.04562	3.2
113.02454	10.2
119.03548	6.9
119.05044	6.8
120.99697	1.2
121.02981	4.4
123.00922	2.5
123.04546	15.4
123.92864	1.3
125.02464	12.1
133.02986	1.6
134.03734	1.0
135.04561	8.7
137.02464	9.0
137.06107	6.8
139.04004	6.9
139.86566	1.1
143.03456	1.8
147.04550	3.9
149.02454	3.2
149.06096	1.1
150.03209	1.5
151.00406	1.4
151.04022	4.8
152.01169	2.2
153.02002	2.6
153.05586	2.9
157.19153	1.1
159.04633	1.2
160.01743	1.3
161.02483	2.4
161.04570	2.6
161.06056	2.1
163.04047	4.5
164.04836	2.7
165.01947	19.1
165.05540	6.7
166.02725	2.1
167.03511	26.2
168.03929	1.1
173.04517	2.4
177.01944	2.5
177.05547	2.6
179.03508	14.1
179.05603	4.9
179.07173	3.1
180.04277	11.4
181.05116	4.2
189.05637	6.8
190.02742	3.2
191.03391	2.9
191.05576	3.2
193.05064	6.5
194.05853	1.7
195.06645	14.4
197.04565	4.8
205.05067	3.2
207.06827	2.5
209.02765	2.0
209.04591	26.4
209.07919	2.2
210.05231	3.2
219.03017	1.3
219.06592	1.4
221.04561	4.9
223.06026	2.3
225.07718	19.1
227.53008	1.4
229.08766	1.9
233.04517	1.8
239.05647	11.9
251.05618	6.1
263.05557	2.5
269.06680	2.9
273.07654	4.6
285.04153	1.9
285.07584	1.4
315.08762	17.0
316.09186	1.5
327.08804	8.1
341.10510	1.3
345.09772	4.9
357.09811	100.0
358.10217	6.1
369.10098	5.0
387.10858	76.5
388.11157	5.7
399.10660	4.8
417.11929	27.6
418.11771	1.3
429.11575	1.8
435.16119	1.4
459.13052	12.1
477.14105	18.6
489.14246	6.3
507.15012	4.4
579.16968	1.8
597.18353	12.3
597.34692	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	597.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
61.98836	6.5
67.01901	0.8
67.94466	0.7
71.01382	2.0
71.56172	1.2
75.00870	1.0
83.01406	0.7
85.02954	2.8
89.02449	1.0
89.03978	0.9
93.03468	1.9
95.05025	1.0
96.96033	3.9
105.03486	0.8
107.05035	2.5
108.02215	0.8
109.02983	0.7
111.42512	0.6
113.02426	1.2
117.03479	2.2
119.05021	1.6
121.02971	1.7
123.00920	1.5
123.04534	0.8
124.01582	0.9
125.02422	0.7
132.02187	3.2
133.02977	41.4
134.03770	21.7
135.04547	84.3
136.04848	2.1
137.02452	3.0
139.04030	1.7
139.53072	0.7
147.04475	1.3
149.02322	1.0
149.06119	3.1
150.03235	1.3
151.00383	2.9
152.01167	6.0
153.01990	1.3
160.01654	2.9
161.02464	63.4
162.02872	2.0
163.04074	1.6
164.04723	0.8
165.01930	2.1
165.05592	1.9
166.02724	7.2
167.03542	4.1
173.04567	2.5
174.01775	1.1
174.03162	1.0
175.04039	4.6
177.01979	1.4
177.05566	1.1
178.02725	2.5
179.03519	55.6
180.04079	2.4
181.05075	6.6
189.05557	0.9
190.02748	1.8
190.06360	1.1
191.03397	0.9
191.05574	2.5
192.04431	0.9
193.05078	21.9
194.05569	1.0
195.06645	2.8
199.53888	0.7
205.05032	2.4
206.05565	0.7
209.11818	1.9
299.05429	1.2
303.08847	0.9
340.09503	0.8
373.12952	2.6
385.12680	0.9
412.94620	0.7
438.98068	0.7
567.18762	11.2
568.19299	0.8
579.18726	2.9
597.19812	100.0
598.20062	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	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83544	0.9
50.87026	0.9
54.09833	0.8
55.01890	1.3
57.03467	0.9
58.00597	2.5
59.01387	55.6
69.42271	1.8
69.42692	5.8
71.01387	30.6
72.99329	2.7
73.02952	1.0
76.47800	1.0
83.01398	1.8
85.02965	7.3
85.59982	0.9
87.00892	1.7
89.02457	38.7
93.03475	1.6
95.01390	2.2
101.02464	17.7
108.02183	1.0
110.92638	1.0
113.02443	10.9
117.74393	1.0
119.03519	15.5
123.00892	2.6
131.03488	2.0
131.44333	1.1
137.02475	3.7
139.00331	1.8
142.15335	0.9
143.03491	3.2
147.04535	2.5
149.04564	1.0
151.00372	23.2
152.01065	2.2
153.02014	1.3
160.21486	0.9
161.04546	2.5
165.01974	1.4
166.02733	52.4
167.03087	1.4
174.03177	1.1
175.03996	9.8
176.04753	1.4
179.05635	9.4
181.05080	100.0
182.05380	3.1
187.03957	1.0
189.05553	1.6
190.06374	9.0
191.03535	1.1
193.72260	1.1
205.05003	1.1
205.08730	18.0
251.09370	1.2
265.04837	1.1
293.04620	1.9
307.06119	1.8
308.06873	2.4
309.04324	1.5
323.09161	5.5
338.11615	4.4
339.08624	5.3
342.11008	1.9
354.11069	2.5
357.13452	2.7
369.13651	5.3
387.14536	43.6
388.14865	2.9
399.14523	8.7
400.35809	1.1
405.15149	1.8
417.15320	1.7
435.09668	1.8
597.22668	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	597.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
58.00599	3.6
59.01387	100.0
63.61797	1.2
69.28799	6.2
69.29221	7.1
71.01390	67.2
71.42047	1.5
72.99320	5.3
73.02995	2.0
85.02962	12.4
87.00893	7.7
89.02457	83.1
95.01402	5.1
98.19848	2.8
101.02458	29.9
105.03506	1.9
105.09330	1.4
113.02464	25.4
119.02672	2.3
119.03515	35.4
121.02977	2.9
125.02424	1.6
131.03453	2.6
137.02515	2.0
143.03502	5.7
149.02440	8.9
149.04553	2.9
151.04013	9.0
152.01219	2.1
161.02457	28.4
161.04582	4.2
176.04761	14.4
177.00624	1.5
177.01945	44.5
179.03511	46.2
179.05608	10.6
181.04971	1.6
191.07112	4.3
192.04309	31.8
194.04179	3.0
194.05844	37.5
194.07645	1.9
207.06644	31.7
208.07007	1.7
209.08208	53.0
210.05396	1.5
210.08574	2.4
225.07751	6.4
326.74966	1.4
337.94632	1.6
337.98718	1.3
387.13412	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	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50275	1.8
54.91258	1.7
57.03460	2.3
58.00602	4.7
59.01387	100.0
59.90610	1.6
61.98838	5.0
69.51897	12.4
71.01392	71.1
72.99314	6.8
73.02946	4.8
75.00868	2.8
77.83069	1.8
80.10136	1.8
82.97439	1.9
83.01395	3.8
85.02956	18.5
87.00883	9.2
89.02454	83.3
93.03458	4.3
95.01395	3.7
96.96035	4.9
99.00867	2.4
101.02460	33.7
105.01955	3.0
108.02161	9.5
109.02973	5.2
113.02458	27.1
119.03520	29.1
121.02968	3.2
123.00935	2.4
123.04529	2.1
131.03503	1.8
131.76347	1.9
135.04530	4.6
137.02449	4.0
138.02083	1.9
143.03551	4.2
145.06645	2.0
149.02478	6.5
149.04471	2.3
151.04036	8.0
152.01149	7.7
153.01918	4.3
161.02449	25.8
161.04529	4.7
165.02023	3.7
165.04047	10.1
166.02705	3.4
167.03519	3.0
173.04558	2.1
176.04788	14.8
177.01962	44.0
177.97095	1.8
178.02521	1.9
179.03511	43.5
179.05582	8.6
180.04257	1.8
181.05080	8.6
190.02681	1.9
191.05621	5.7
191.07176	4.7
192.04283	32.8
194.04182	3.7
194.05858	41.9
207.06630	29.0
209.08224	51.9
223.06148	2.6
225.07698	6.9
268.39130	1.8
270.00482	1.7
387.14481	3.6
546.66553	2.3
553.17682	2.1
597.14728	13.3
598.14783	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	597.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
56.94292	3.5
57.03445	4.4
59.01388	37.7
61.98841	79.1
63.71637	3.5
71.01387	30.1
71.56386	4.8
72.99331	6.6
73.02950	7.3
75.00884	16.7
76.58004	3.2
81.21611	3.3
83.01382	5.5
85.02956	27.3
87.00882	5.9
88.98833	10.9
89.02446	24.5
91.71989	3.7
93.03471	11.9
96.96022	33.7
97.02945	3.6
99.00838	4.0
101.02468	21.7
107.65743	3.8
108.07103	3.9
109.02956	6.9
111.00958	4.4
113.02466	15.1
116.92885	5.7
119.03535	12.2
119.05061	39.5
129.01936	4.4
135.04552	8.4
137.02446	5.6
142.22459	3.8
144.49852	3.7
147.03070	5.1
147.04500	4.8
159.04538	3.7
163.04027	49.4
164.04837	5.4
173.04558	14.1
175.00365	4.4
179.03502	6.0
179.05692	8.8
190.02721	12.9
191.03271	5.8
191.05603	12.5
199.74660	3.9
205.05125	15.0
206.05518	7.6
209.02988	5.7
266.10861	4.1
287.22223	5.3
295.11725	4.1
327.05029	6.9
449.27466	12.3
495.61115	3.9
561.29138	100.0
561.37665	6.8
562.29700	11.4
597.26825	98.5
598.27069	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	597.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76321	2.7
59.01392	28.2
60.32602	2.2
61.98840	100.0
68.99541	3.2
70.94572	2.9
71.01389	19.6
71.56178	2.5
72.99303	4.0
75.00889	11.6
79.95731	2.5
83.01396	8.5
85.02968	11.4
88.98822	3.1
89.02462	11.2
93.03474	8.6
94.67873	2.4
95.01395	4.9
96.96030	24.5
99.00907	3.3
101.02453	9.8
102.51476	2.5
111.00915	3.0
113.02499	6.3
116.92887	4.1
119.03539	4.1
119.05029	6.2
121.02940	5.6
127.00343	3.0
133.02983	10.2
133.68742	2.5
134.03732	4.3
134.51123	2.5
134.80988	2.6
135.04550	17.1
137.02495	7.3
149.04657	2.7
149.06093	3.9
150.03264	3.5
153.02048	3.7
161.02440	13.0
161.04541	4.3
163.04039	9.1
165.02017	3.1
165.05580	6.0
171.10277	5.8
173.04558	7.9
175.03960	6.8
179.03496	10.9
190.02759	8.7
191.05623	11.1
192.06064	2.9
193.05046	7.1
204.61638	2.6
205.05081	6.7
205.08531	2.6
209.11871	13.6
223.06067	3.5
229.08638	3.7
253.09351	9.6
289.18179	2.9
307.19186	26.2
325.20169	10.6
334.03116	2.9
367.10626	2.8
398.42880	2.5
414.90936	2.7
423.16629	9.8
424.36737	2.5
507.16525	2.7
543.28027	22.6
544.28821	4.9
561.29926	5.7
597.19342	8.7
597.27722	22.9
597.35394	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	597.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76321	2.7
59.01392	28.2
60.32602	2.2
61.98840	100.0
68.99541	3.2
70.94572	2.9
71.01389	19.6
71.56178	2.5
72.99303	4.0
75.00889	11.6
79.95731	2.5
83.01396	8.5
85.02968	11.4
88.98822	3.1
89.02462	11.2
93.03474	8.6
94.67873	2.4
95.01395	4.9
96.96030	24.5
99.00907	3.3
101.02453	9.8
102.51476	2.5
111.00915	3.0
113.02499	6.3
116.92887	4.1
119.03539	4.1
119.05029	6.2
121.02940	5.6
127.00343	3.0
133.02983	10.2
133.68742	2.5
134.03732	4.3
134.51123	2.5
134.80988	2.6
135.04550	17.1
137.02495	7.3
149.04657	2.7
149.06093	3.9
150.03264	3.5
153.02048	3.7
161.02440	13.0
161.04541	4.3
163.04039	9.1
165.02017	3.1
165.05580	6.0
171.10277	5.8
173.04558	7.9
175.03960	6.8
179.03496	10.9
190.02759	8.7
191.05623	11.1
192.06064	2.9
193.05046	7.1
204.61638	2.6
205.05081	6.7
205.08531	2.6
209.11871	13.6
223.06067	3.5
229.08638	3.7
253.09351	9.6
289.18179	2.9
307.19186	26.2
325.20169	10.6
334.03116	2.9
367.10626	2.8
398.42880	2.5
414.90936	2.7
423.16629	9.8
424.36737	2.5
507.16525	2.7
543.28027	22.6
544.28821	4.9
561.29926	5.7
597.19342	8.7
597.27722	22.9
597.35394	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	597.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25018	0.3
59.01378	1.2
61.98838	29.2
71.01388	1.0
73.18244	0.3
75.00866	0.6
81.03468	10.6
83.05037	36.6
84.05349	1.0
85.02969	1.8
87.00917	0.4
89.02468	0.5
93.03472	1.1
96.96012	2.0
98.19843	0.6
99.00903	0.3
100.07688	5.1
101.02475	0.5
105.46522	0.3
108.02146	0.7
108.04557	0.5
108.89472	0.3
111.00928	0.3
113.02448	0.5
126.05625	0.7
127.04034	0.7
134.03714	0.5
135.04533	0.8
137.02461	1.6
142.41948	0.3
145.05083	0.5
149.02409	0.4
152.01253	0.4
165.05490	0.3
171.76007	0.3
173.04515	0.6
179.03595	0.4
191.01961	0.5
191.05649	1.6
199.13460	0.5
199.18166	6.0
200.18585	0.4
207.15041	0.5
223.06078	0.4
224.17683	0.7
225.16112	8.0
226.14548	0.4
242.18788	0.4
243.17151	17.6
244.17615	1.0
269.15009	0.6
309.21826	1.0
341.29364	0.4
353.20822	5.6
354.21198	0.4
425.35251	0.5
451.32855	2.2
469.33990	12.1
470.34586	1.2
495.31610	0.4
537.32751	0.7
579.37952	3.2
597.38745	100.0
598.39050	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	598.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91585	0.2
59.01389	2.3
61.98837	100.0
69.40800	0.6
69.41219	1.2
71.01392	1.1
71.23573	0.2
85.02978	0.5
87.00867	0.3
89.02460	0.8
93.03518	0.2
96.96041	1.0
101.02481	0.8
105.60390	0.2
107.05062	0.3
108.02180	0.2
111.00949	0.2
113.02420	0.4
120.99657	0.4
121.02989	0.7
135.04553	0.7
137.02478	0.4
150.19748	0.3
151.63681	0.2
153.01967	0.2
161.31750	0.2
166.02647	0.2
173.04535	0.5
179.03604	0.4
181.05199	0.3
190.02747	0.2
191.05658	0.8
193.05103	0.3
209.04605	0.4
238.75876	0.2
336.66443	0.2
388.14929	0.2
400.14951	0.8
495.24896	0.3
538.28619	0.9
598.15710	0.2
599.19781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10732	0.2
59.01388	0.7
61.98839	100.0
62.98569	0.2
63.26496	0.1
67.95668	0.2
69.29881	1.0
69.30289	0.4
71.01404	0.3
71.40767	0.2
81.03471	0.5
83.01489	0.2
83.05032	1.4
84.05367	0.2
85.02965	0.7
88.98864	0.2
89.02464	0.2
96.96054	0.2
101.02512	0.2
109.02991	0.2
113.02522	0.2
119.05142	0.2
125.76586	0.1
135.04567	0.5
137.02480	0.3
164.04785	0.2
173.04616	0.5
173.28705	0.2
179.03621	0.4
191.01979	0.2
191.05739	0.7
211.06073	0.2
225.16077	0.2
226.16615	0.2
243.17270	0.7
244.17555	0.3
323.59769	0.2
470.34476	0.3
580.39160	0.2
597.39435	0.3
598.23865	0.3
598.39087	4.3
599.21539	0.2
599.39905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.3
61.98856	17.0
71.01368	6.0
78.95918	3.2
82.95424	85.8
83.52489	2.9
83.59979	4.0
84.00921	100.0
84.95128	32.1
99.85419	3.2
116.92840	6.2
133.62651	4.0
135.48521	3.3
229.50354	5.1
253.09128	5.5
277.06305	4.5
277.21719	35.2
278.21945	4.1
381.92175	3.9
394.19839	4.9
538.28015	4.8
598.29572	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	600.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13137	0.1
59.01386	1.0
61.98836	100.0
63.99262	0.4
67.21680	0.1
71.01391	0.6
71.58556	0.3
73.02951	0.2
85.02953	0.7
85.15388	0.1
85.57964	0.1
89.02456	0.4
93.03470	0.2
96.96032	0.9
101.02467	0.2
108.02229	0.1
109.02979	0.2
109.45488	0.1
113.02476	0.3
116.92851	0.2
119.03532	0.2
119.05022	0.2
121.02969	0.2
128.03522	0.7
134.03790	0.6
135.04524	0.7
137.02480	0.3
149.02452	0.3
150.03227	0.2
160.01706	0.6
163.03920	0.1
164.04797	0.1
165.05545	0.2
173.04591	0.3
175.04013	0.7
178.02751	0.1
179.03613	0.2
191.02068	0.2
191.05650	0.8
193.05122	0.4
195.06714	0.2
197.12975	0.2
241.11818	0.1
249.20570	0.1
281.52533	0.1
282.50458	0.2
337.09225	0.1
462.83548	0.1
517.15692	0.2
559.16760	0.3
582.31769	0.2
600.33130	0.7
601.22046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39129	0.9
59.01385	100.0
60.01700	0.9
60.67009	0.8
62.86794	0.9
68.99908	0.9
71.56097	1.0
71.56485	1.0
82.33234	0.9
93.00800	0.9
106.23361	0.9
112.84301	0.9
115.02526	6.6
117.00445	5.6
132.98222	2.0
132.99159	1.3
134.79349	0.9
134.97025	1.4
135.28926	0.8
141.00429	1.1
156.99905	1.9
157.03600	2.6
159.01508	65.8
160.01662	2.1
160.05788	0.9
174.99263	15.2
176.98119	43.6
177.98254	2.7
201.02563	25.6
202.02765	1.9
204.29666	0.9
215.04231	1.3
217.00317	46.9
224.69189	0.8
241.00647	1.1
259.01624	2.6
273.01617	1.1
274.99478	2.3
301.02686	52.5
302.02707	5.4
317.00452	35.7
318.00812	2.5
332.98489	2.8
358.97000	1.4
359.01462	18.8
360.01846	1.4
374.99213	1.9
401.84229	0.9
459.01523	11.6
460.01929	1.7
498.99396	1.2
541.00610	33.4
542.00946	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	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52068	1.0
55.01861	1.1
57.03456	47.2
59.01385	100.0
61.98831	13.0
62.58804	1.0
67.01926	1.4
69.03462	3.7
71.01389	53.5
71.56123	1.1
72.99317	2.8
73.02965	7.6
78.91904	3.4
79.95769	1.5
80.91715	2.2
81.03465	3.5
83.01397	3.8
85.02963	15.9
87.00880	2.5
89.02456	44.9
91.18597	1.1
93.03458	2.3
95.01415	4.5
96.96022	10.3
97.02956	4.0
99.00910	2.3
99.04530	49.4
99.92592	1.7
101.02457	27.2
102.02734	1.1
109.02988	1.7
111.00896	1.7
113.02471	18.4
114.92649	1.0
115.92076	1.4
116.92870	4.5
118.98071	1.2
119.03498	7.9
123.00898	1.1
125.02460	44.2
131.03514	11.5
134.03778	2.4
135.04541	2.2
137.02463	4.2
139.04077	1.2
143.03555	5.3
148.05319	56.4
149.04568	13.3
149.05658	2.5
150.03224	1.2
152.01141	2.4
160.01663	2.1
161.04555	3.1
163.07674	34.6
167.03487	3.5
173.04576	5.7
175.04024	2.6
179.05600	2.3
191.01985	1.3
191.05585	10.7
210.04564	1.2
227.12891	1.6
233.06679	4.5
275.07828	2.4
293.08820	42.1
294.08743	1.3
308.61081	1.3
335.09912	15.8
379.21310	1.4
419.07831	1.1
457.17096	1.6
520.74902	1.3
541.26526	7.6
559.27753	9.0
601.28607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.1
60.46114	0.6
61.98822	0.9
62.94588	0.7
69.03456	0.7
69.81310	2.8
74.01405	0.6
87.66103	0.6
95.05042	1.3
96.96036	1.1
97.06606	12.9
123.08195	5.2
125.09742	100.0
126.10088	2.2
143.10782	1.3
152.46948	0.6
169.08740	2.1
187.09773	75.1
188.10085	2.0
211.13483	0.9
216.61896	0.7
225.11331	1.7
230.56271	0.6
243.12395	2.2
261.13440	9.8
345.60812	0.6
413.21811	1.2
414.72345	0.7
415.58951	0.8
431.22885	25.3
432.23196	1.5
583.31488	1.6
601.32349	73.4
602.32715	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	603.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21218	1.5
57.03456	100.0
59.01391	22.0
61.35480	1.6
61.98843	24.0
68.78766	1.5
69.77507	1.9
71.01387	8.0
71.58528	2.4
73.02953	2.4
80.96477	1.9
81.03442	3.0
82.65800	1.5
82.95434	4.5
85.02957	6.5
87.00866	2.7
89.02455	3.1
93.03474	5.9
96.96024	50.8
99.00937	1.9
99.04530	90.4
101.02462	15.4
108.02158	1.8
111.00850	2.0
113.02450	3.8
119.05041	2.1
125.02473	38.1
133.03033	2.1
134.03738	2.4
135.04601	8.8
137.02441	3.2
143.03488	1.9
148.12537	2.1
149.02534	1.9
150.03152	3.1
150.87526	1.7
152.01241	2.1
161.02457	3.7
161.04691	2.2
163.04044	27.0
165.05553	5.6
166.02785	2.2
173.04565	8.6
178.06381	37.7
179.03571	2.5
181.05072	16.5
191.05630	8.8
193.08713	22.6
195.06616	2.2
196.07407	22.6
205.04993	2.5
211.09781	95.2
212.10121	2.7
231.06856	1.7
452.50421	2.0
473.49615	2.1
603.27179	4.8
604.18640	2.0
622.44299	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	603.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06520	2.2
55.41422	2.2
59.01376	9.0
60.34908	2.1
66.25880	2.3
70.43150	2.5
71.01381	4.2
71.56943	3.3
78.95923	4.5
85.02937	4.1
96.96016	28.8
96.96986	2.5
113.02461	4.7
116.60603	2.4
121.02875	3.3
135.04538	3.6
150.04222	3.9
157.23053	2.6
173.04558	2.5
179.05637	5.7
302.09311	2.5
316.56448	2.6
567.26855	8.0
603.14697	3.4
603.24292	100.0
604.24908	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	7.3
58.38825	6.2
59.01392	62.6
61.98837	13.5
69.66750	40.7
71.01402	17.6
72.99311	9.6
78.56083	6.4
78.95924	6.2
83.06013	6.9
89.02479	11.1
96.96020	19.8
97.06612	11.4
98.19900	14.0
100.03909	5.6
100.71686	5.7
101.02451	12.5
102.44125	5.5
113.02457	7.8
125.09711	6.3
139.01811	6.2
142.66437	7.6
151.11333	11.2
165.12895	12.0
181.12346	15.3
209.11897	46.6
218.87277	6.5
227.12848	12.0
245.19231	19.2
248.32735	6.8
253.09328	29.8
263.20181	17.0
289.18201	22.9
307.19174	100.0
417.14597	7.0
445.20837	15.1
543.28296	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71054	2.3
57.03459	3.1
59.01117	4.0
59.01390	57.9
61.98828	16.6
71.01399	11.0
71.57976	2.8
73.02958	4.2
79.95823	2.4
83.04982	2.9
85.02985	5.3
88.29952	2.1
89.02425	7.2
95.05025	5.7
96.96022	6.9
97.06585	3.8
101.02440	9.5
109.06594	5.6
113.02460	5.6
119.03505	3.3
125.09775	4.1
127.07706	3.1
134.18358	3.1
137.09718	5.4
142.46005	2.5
161.04619	3.4
163.11264	7.2
169.12386	5.6
171.10245	7.5
185.11848	3.7
191.05637	3.0
191.14406	6.0
207.10286	2.8
209.11826	8.0
211.13316	4.9
237.07681	3.4
245.19093	15.3
253.09300	30.0
271.02420	4.4
285.04062	2.8
289.18103	100.0
290.18417	6.7
299.02026	19.2
307.19193	72.2
308.19443	5.6
314.04425	13.7
329.02991	4.1
329.06677	42.8
408.85529	2.1
567.14929	10.2
587.30652	2.5
603.30450	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	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.7
59.01390	54.5
61.98840	9.6
69.25169	51.5
71.01387	16.6
72.99309	7.4
85.02965	11.6
85.54263	5.8
89.02496	6.8
96.96007	18.2
97.06533	5.7
101.02461	15.9
113.02439	13.5
119.05035	6.4
125.09686	5.9
137.09654	4.7
161.04549	6.4
163.11316	10.6
171.10239	28.6
172.23859	6.1
181.12318	6.4
185.11925	6.0
191.14441	5.4
209.11786	31.3
225.11230	5.6
239.04668	5.1
245.19012	15.3
253.09344	59.5
263.20248	4.6
276.49985	5.9
289.18130	100.0
298.70218	5.2
307.19189	92.0
308.19556	6.2
468.84305	5.0
556.19171	5.9
603.28595	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75294	1.5
59.01115	2.2
59.01390	39.3
61.98830	2.3
63.62729	1.8
64.28394	1.5
71.01397	12.4
73.08028	1.8
81.03452	2.7
83.01404	2.4
85.02985	2.6
89.02460	8.4
92.08484	1.8
96.96026	3.3
97.02951	1.9
97.06596	5.8
100.06853	1.9
101.02444	8.9
107.05048	2.0
113.02428	4.4
119.03516	2.4
122.05078	1.7
123.04550	2.9
125.09706	7.1
137.09703	2.9
141.12750	1.8
152.58809	1.7
161.04602	4.6
163.11319	12.1
169.11453	1.7
179.57426	1.7
181.12373	1.6
185.11786	6.9
191.14398	11.2
191.60922	1.7
207.10269	4.5
209.11870	24.6
225.11320	3.9
227.12798	2.0
237.11395	2.8
245.19087	18.4
246.19273	1.8
253.09332	36.3
254.09662	2.1
263.20117	4.7
271.16925	3.0
273.23166	1.8
289.18127	100.0
290.18436	5.6
305.76334	2.0
307.19205	94.3
308.19409	4.3
353.24988	1.9
543.27936	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	603.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66196	0.9
59.01383	1.7
59.08844	0.8
60.99307	8.4
61.98836	1.1
69.26354	9.0
76.60040	0.9
87.00887	6.1
87.99957	1.3
88.00419	9.9
88.04052	1.3
88.98821	47.8
89.02460	100.0
90.02740	1.1
93.69038	0.9
96.96010	2.6
148.90962	2.3
277.21631	1.5
329.81897	1.0
364.61932	1.0
603.20044	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	603.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87694	2.4
56.36378	2.3
59.01369	3.1
60.99310	13.9
61.98833	2.9
71.01393	2.1
71.03347	4.8
71.03683	2.7
78.95901	4.7
87.00875	3.6
88.00420	13.0
88.98821	86.1
89.02457	100.0
96.18675	2.0
96.96014	13.4
103.83566	2.3
104.98656	2.3
105.45959	2.4
116.97470	2.2
123.83176	2.1
138.45978	2.4
152.99614	5.0
171.10240	4.4
184.30202	2.1
187.17302	2.4
205.81126	2.5
276.94333	2.4
514.03754	2.5
530.32318	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	603.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31346	30.5
59.01388	41.6
61.98829	66.0
71.56026	49.6
71.80882	28.6
78.95921	36.7
81.23722	29.0
84.81807	27.2
96.96017	64.5
102.66354	31.1
109.39853	28.2
127.16434	30.1
135.51996	30.9
139.24199	28.7
143.68785	29.3
152.99617	65.7
171.10168	34.1
177.70372	32.8
263.42514	29.8
288.67612	39.3
309.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23645	0.3
56.61474	0.3
61.98840	0.4
63.58812	0.3
69.23224	0.3
71.01391	0.3
78.95918	0.9
80.69221	0.3
80.73377	0.3
87.08871	0.3
167.01125	0.5
173.19273	0.3
278.28986	0.3
312.26813	0.3
401.18155	0.3
415.15695	0.6
416.16888	0.4
428.16321	0.4
429.17194	1.0
430.17889	1.2
443.18747	1.1
456.16071	0.4
457.21060	1.7
458.21341	0.7
459.17789	2.4
470.21436	0.9
471.17828	1.6
472.19168	0.5
473.19730	4.8
474.20001	0.6
475.21552	0.6
480.84833	0.4
485.20023	2.3
485.23871	1.1
486.20862	3.4
487.21176	0.9
496.19080	0.8
499.17560	1.9
501.22763	2.2
502.22281	0.4
511.21228	2.7
513.19427	2.5
514.20117	8.6
515.20453	0.7
517.18921	0.6
518.19226	1.6
528.21442	0.5
529.22485	100.0
530.22827	10.4
532.21179	1.4
533.22083	2.1
545.21814	0.7
561.25244	0.9
573.21600	1.0
605.24243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.2
57.03448	3.9
59.01387	100.0
60.97288	2.0
61.98845	12.4
61.99113	2.0
62.21624	2.0
63.89626	2.2
69.33238	2.1
70.88633	4.4
71.01392	46.4
71.05032	2.5
72.99325	5.6
73.02962	12.1
81.03484	2.1
83.01386	7.3
85.02966	26.5
87.00889	6.9
88.98824	2.1
89.02452	18.4
93.03469	3.9
95.01403	5.3
96.96019	20.8
99.00893	4.9
99.04522	4.4
101.02465	27.8
108.02235	2.4
109.02882	2.7
111.00912	3.7
113.02454	24.0
113.03177	2.9
116.92815	2.5
119.03537	5.8
119.04972	2.1
125.02454	9.6
132.02193	3.0
134.03746	4.4
134.06151	2.6
135.04582	4.1
135.83905	2.2
137.02458	4.6
143.03499	3.8
145.02965	3.3
147.03107	3.8
149.06187	4.0
152.01157	2.7
160.01807	4.8
160.04095	9.8
161.04590	6.8
162.05588	4.6
163.04021	3.4
173.04601	4.8
175.03998	8.7
179.03505	2.6
179.05693	3.9
186.89612	2.0
190.02710	3.2
191.05655	6.5
205.05106	3.6
214.05222	3.9
227.16591	4.0
243.19530	2.0
278.89087	2.8
290.32925	2.0
302.27707	2.2
313.03647	2.7
328.06064	2.8
329.06668	3.7
338.10425	9.3
357.26511	5.4
368.11514	2.5
371.20709	4.0
389.21786	9.6
441.95636	2.3
465.28412	2.6
483.30258	3.6
501.30759	81.4
502.31192	6.8
519.31677	23.0
520.32074	3.1
545.29523	14.9
561.32953	4.7
563.30615	18.7
605.36078	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	606.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98835	100.0
70.66171	0.3
71.01409	0.6
71.55576	0.3
79.95754	0.6
80.96519	3.5
94.98117	0.9
96.96021	0.9
101.02417	0.4
108.02185	0.3
135.04631	0.3
164.98666	0.7
199.16576	0.3
225.00764	0.8
276.03482	0.3
607.24268	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	607.1676
Annotation	Diosmin 
Peak:m/z	Relative Intensity
50.88462	0.5
51.30643	0.5
59.01384	4.4
61.98820	2.1
71.03889	1.4
72.99304	0.6
79.76775	0.5
83.01421	0.7
85.02950	2.8
86.15495	0.6
87.00890	1.4
88.98791	1.1
89.02437	2.1
93.03464	1.1
96.96040	3.5
101.02435	1.8
103.26087	0.7
107.01381	0.7
109.02955	0.9
111.00874	1.7
113.02453	0.8
115.02451	0.6
121.02956	1.1
134.03708	1.1
135.04529	1.7
137.02435	2.1
145.02934	0.7
149.02470	0.8
151.00362	0.9
152.01157	0.7
153.01984	0.7
161.02383	1.0
164.04773	0.6
166.02724	0.8
173.04576	1.3
179.03465	1.0
190.02751	1.2
191.05641	2.1
205.05089	1.9
211.03970	0.7
223.06073	0.9
227.03525	1.2
243.02911	1.3
255.03011	39.4
256.03610	3.7
262.62756	0.6
268.03714	1.0
269.04532	4.2
271.02505	1.1
281.04340	0.7
283.02496	16.1
284.03290	73.5
285.03894	7.7
297.04062	11.2
297.07172	1.1
298.04822	10.8
299.05621	100.0
300.02722	0.9
300.05948	4.7
313.03662	0.9
386.81705	0.6
403.14075	1.0
443.09927	1.4
547.27600	0.7
607.16766	86.5
608.17114	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	607.1675
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03465	0.8
59.01382	4.5
61.98838	1.3
69.03469	0.5
71.01392	3.6
72.99336	0.5
73.02956	0.7
75.67297	0.4
82.95435	1.0
83.01411	0.8
85.02955	4.3
87.00862	1.1
88.98800	1.0
89.02467	1.5
93.03487	1.3
96.96043	1.3
99.61996	0.5
101.02448	1.6
111.00895	0.8
113.02472	1.0
119.03421	0.5
125.02460	0.6
129.02020	0.5
132.02182	1.1
133.03038	0.5
134.03770	1.9
135.04576	1.0
137.02422	1.1
137.10562	0.4
147.03094	0.6
149.02449	0.8
151.02243	0.6
160.01663	3.3
161.02493	0.9
163.03998	0.6
164.04875	0.6
173.04611	1.0
175.03926	2.7
179.03525	0.6
190.02742	0.7
191.01988	0.9
193.05104	1.8
194.60159	0.5
196.92401	0.5
198.03214	1.6
199.04025	0.8
201.02023	0.8
202.02731	2.1
205.05058	0.6
206.05553	0.6
209.11865	1.2
214.02733	1.4
226.02750	4.4
227.03494	1.1
242.02287	3.4
243.02979	10.4
244.03297	0.6
259.68552	0.5
265.07153	0.6
270.01730	11.3
271.02475	17.0
272.02795	0.5
274.01300	0.8
276.21509	0.5
281.04459	0.7
282.05325	0.7
285.04074	20.5
286.04547	0.6
297.03928	0.9
299.01996	28.0
300.02576	3.2
309.04092	1.1
313.03564	29.8
314.04318	31.7
315.05020	6.0
327.05145	1.8
328.05872	5.9
329.06674	62.3
330.07135	2.8
343.04660	1.2
367.54144	0.5
424.50778	0.5
447.09406	2.2
460.06403	0.7
475.09006	1.3
503.32147	0.9
571.28809	1.5
577.11902	2.4
592.14447	1.6
607.16693	100.0
608.17047	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	607.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87051	0.3
57.01752	0.4
57.03426	0.4
59.01385	7.0
61.98834	7.5
70.32751	1.5
71.01398	5.0
73.02951	2.2
78.95913	0.5
78.98573	0.7
79.95733	1.2
80.96523	7.0
81.34889	0.4
83.01392	1.6
85.02966	3.3
87.00901	1.0
88.98796	1.0
89.02466	1.2
93.03465	0.6
94.98093	1.3
95.01397	0.6
95.82954	0.5
96.96004	1.2
97.02980	0.9
99.00885	0.8
101.02439	2.5
106.98053	0.5
108.96153	0.4
109.02964	1.0
111.00893	2.2
113.02452	1.9
119.05060	0.5
122.97615	0.4
123.00896	1.6
123.04488	0.4
124.01657	2.3
125.02447	1.8
127.00390	1.4
132.02208	0.4
134.03691	0.6
134.97649	0.5
135.04544	1.4
136.98822	1.0
137.02458	1.3
138.03291	0.8
139.00397	8.6
139.04034	2.9
148.99144	0.5
149.02466	0.5
150.03206	0.6
151.00389	10.3
151.04013	1.3
152.01178	7.2
153.01938	2.6
153.05621	0.8
154.02719	1.4
160.01677	0.9
161.02402	0.5
161.04549	0.5
163.04030	1.5
163.07680	0.9
164.04788	1.9
164.98634	1.0
165.05553	1.0
166.02734	30.6
167.03523	8.0
168.04247	0.5
173.04611	0.5
173.06007	0.7
175.04008	1.8
176.04779	0.8
177.05475	0.7
178.06430	1.0
179.03589	1.3
179.07127	2.5
180.04324	3.3
181.05092	31.2
182.05380	1.2
189.05522	0.7
190.06371	5.5
191.05626	0.8
191.07144	5.6
193.05113	1.1
193.08702	1.4
194.05821	1.3
195.06645	4.5
201.05484	0.5
205.05159	0.5
205.08731	3.0
206.09439	1.7
207.06642	0.7
208.07385	0.6
209.08167	1.2
209.11887	1.1
218.05809	1.2
219.06403	0.6
221.08224	1.7
221.11731	0.5
225.00783	1.5
233.08229	1.4
340.09555	0.5
341.53827	0.5
345.13382	1.2
355.11810	2.6
370.14160	1.2
373.12967	10.0
374.13260	0.9
385.16559	1.0
388.15332	10.4
389.15671	0.7
403.17648	100.0
404.18021	7.5
503.32294	1.7
508.34546	0.4
521.33185	0.9
547.35010	0.8
565.36017	1.1
607.24585	10.9
607.36957	12.9
608.24628	0.8
608.37579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2435
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01389	3.7
61.40574	0.6
61.98840	10.9
63.96222	1.1
69.03452	1.0
70.01667	3.2
71.01387	6.4
73.02950	1.8
77.60883	0.7
78.95879	0.7
78.98609	4.9
79.95750	15.3
80.96528	60.9
81.03431	0.8
83.01408	1.2
85.02963	3.0
87.00877	2.9
92.83688	0.8
93.03469	1.1
94.98100	13.8
95.01410	0.7
96.96010	2.7
97.03004	1.5
98.19942	0.7
100.33796	0.7
101.02435	3.4
106.98069	2.3
108.02171	1.4
122.97601	4.7
125.02480	3.5
127.04028	0.8
134.97618	3.8
136.68204	0.7
136.99161	1.6
148.99174	6.0
152.98657	5.7
159.77242	0.6
164.98647	11.3
167.00203	0.7
182.99686	1.5
206.99670	2.8
209.11908	1.5
225.00764	16.6
225.02995	0.8
225.57224	0.7
243.01813	1.3
299.04431	2.6
311.22095	1.3
438.48026	0.7
589.36591	0.7
607.24341	100.0
608.24713	11.6
616.27838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35359	2.3
55.01876	3.7
57.03452	10.5
59.01386	100.0
61.98837	13.7
65.16618	2.4
69.43759	2.2
70.28766	3.2
70.29113	9.0
71.01393	48.8
72.99321	4.8
73.02961	9.7
75.00874	3.2
79.95729	3.3
80.96527	6.9
82.95431	3.1
83.01395	11.0
85.02962	28.3
87.00884	5.9
88.98830	7.0
89.02468	9.3
93.03486	8.6
96.96011	8.4
99.00909	6.0
101.02453	33.3
108.02199	2.4
109.02960	4.1
111.00879	4.1
113.02469	20.4
121.02985	7.1
125.02454	3.8
132.02148	4.4
133.02986	4.6
134.03714	8.9
135.04529	4.2
137.02467	8.3
143.03543	4.1
145.02997	3.0
149.02470	6.1
149.06117	2.7
160.01671	19.2
160.04025	6.7
161.02437	3.1
161.04572	10.2
164.04784	4.2
165.05588	4.8
171.14021	2.9
173.04576	7.0
175.00380	3.8
175.03995	23.1
179.03470	2.9
188.03523	2.7
190.02757	6.1
191.05684	7.4
193.05037	12.3
201.11632	3.3
205.04991	5.3
209.11758	5.7
225.00635	3.0
266.08252	6.0
269.10339	29.1
283.06058	4.5
310.07266	3.4
311.05576	5.6
337.09344	27.7
354.06335	5.1
359.27933	7.2
384.07379	3.1
403.17484	4.5
413.08664	5.3
450.04773	3.1
461.18338	3.2
487.09137	2.4
503.32330	91.1
504.32788	8.5
521.33289	31.2
563.34332	9.0
607.14838	5.6
607.25409	26.1
607.35590	5.9
608.16437	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	607.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96394	2.0
57.03447	6.6
59.01385	78.6
61.98835	8.6
70.86278	2.5
70.86602	4.5
71.01390	24.3
73.02957	7.6
74.02489	2.8
83.01369	5.2
85.02979	15.9
87.00906	5.7
88.98814	7.7
89.02472	4.5
93.03474	2.5
95.01434	4.7
96.96006	5.1
99.00906	5.5
101.02449	17.3
103.87187	2.5
108.02148	2.9
111.00938	3.2
113.02464	10.1
119.03535	3.1
121.02980	4.3
123.08176	4.3
125.02474	3.7
135.04507	2.3
137.02480	2.9
141.12842	2.6
160.01668	5.8
161.04686	2.9
163.03993	3.7
171.13918	3.3
173.04485	2.8
175.00363	3.8
175.03983	6.6
190.02715	6.1
191.05685	4.0
193.05034	2.7
200.14105	2.1
205.05119	7.1
223.06105	3.0
268.40195	2.4
269.39722	2.4
275.29761	2.5
337.59219	2.3
344.14514	2.4
359.28052	9.8
461.03931	2.5
503.32324	100.0
504.32462	9.3
521.33398	28.5
522.33740	3.0
563.34369	4.9
607.25543	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	608.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83040	0.3
55.71094	0.4
59.01387	1.8
61.98837	100.0
67.31892	0.3
71.01389	1.6
71.56705	0.3
78.95941	0.4
78.98607	1.3
79.95737	2.7
80.96524	11.1
87.00897	0.6
89.02450	0.5
93.03504	0.4
94.98106	2.1
96.96063	0.5
101.02452	0.8
122.97669	0.4
125.02508	0.6
134.97598	0.6
148.99220	1.0
152.98637	0.9
164.98656	1.6
168.04503	0.3
173.04620	0.5
184.76360	0.3
225.00789	2.7
264.80865	0.3
314.76663	0.3
355.18073	0.4
435.22128	0.4
447.10751	0.4
528.18536	0.4
608.24597	1.9
609.25848	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	609.1252
Annotation	Isoorientin 2''-O-(E)-caffeate
Peak:m/z	Relative Intensity
57.03454	1.3
59.01110	1.1
59.01385	14.1
60.99319	1.2
61.98828	5.9
69.03462	1.4
71.01002	1.1
71.01387	11.9
71.03469	0.7
71.03806	0.9
72.99310	2.5
73.02954	2.2
75.00878	0.9
77.03972	1.1
81.03481	0.8
83.01392	1.8
83.05028	0.8
85.02953	5.4
87.00881	2.3
88.98820	5.4
89.02457	11.1
93.03448	3.1
95.01370	1.3
96.96032	1.5
97.02959	2.4
99.00919	0.9
101.02462	9.3
105.03489	0.8
109.02969	3.6
111.00892	0.7
111.04490	1.1
113.02473	5.8
116.92873	1.2
119.03508	3.4
119.04993	1.3
121.02935	2.0
125.02464	3.2
127.68583	0.6
131.03539	1.1
133.02977	11.9
134.03752	1.4
135.04561	5.6
137.02457	3.5
143.03500	1.5
145.03008	0.7
147.04501	0.9
149.02455	4.1
149.06032	0.8
150.03207	1.1
151.04042	0.9
152.01099	0.9
161.02484	4.2
161.04588	1.5
163.00391	1.5
163.04076	3.5
164.04800	2.5
165.01978	3.2
165.05562	0.8
173.04564	2.0
175.00439	3.0
175.04027	4.6
177.01910	1.1
177.05525	0.9
179.03542	2.0
179.05649	4.0
182.61279	0.6
183.13939	2.8
189.01952	0.6
190.02713	6.9
191.03499	2.5
191.05629	3.4
193.01399	1.3
193.12320	0.9
199.03976	1.6
200.04745	0.7
201.01956	1.1
203.03632	0.9
205.05057	6.6
211.03957	1.1
211.13411	31.3
212.13657	0.8
213.05687	0.9
221.04436	1.0
223.06068	2.6
225.05664	0.8
227.07144	0.9
229.04997	1.0
231.13898	6.9
235.08258	1.5
240.04253	1.4
241.05055	1.0
253.04987	0.9
255.03072	0.9
255.06721	1.4
263.07651	0.7
265.07199	1.3
269.04575	1.5
281.06827	0.9
283.06012	0.7
284.03299	8.8
285.04022	7.9
297.04089	15.3
298.04813	7.3
299.02185	1.6
299.05588	18.9
300.05762	1.4
305.08838	1.1
309.03992	0.8
311.05658	2.6
314.04315	1.0
324.02924	1.1
325.09137	0.6
327.05109	100.0
328.05502	6.5
329.06653	2.8
339.05170	3.6
341.06509	0.8
347.12881	1.2
357.06183	33.5
358.06592	1.4
369.06113	3.9
393.06207	2.0
397.13522	13.2
411.07349	1.1
411.20230	8.9
415.14545	8.9
429.08240	3.3
447.09378	34.0
448.09714	2.9
495.01193	0.7
581.13635	0.6
591.23859	1.0
609.12537	21.9
609.24567	9.7
610.12964	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	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
60.58009	0.7
61.98831	1.5
69.18006	2.2
69.18424	5.3
71.01387	3.6
74.24393	0.7
76.11427	0.7
81.00163	0.7
85.02957	2.0
89.02466	3.5
93.03408	0.7
96.96021	1.6
98.20630	1.7
101.02452	2.5
109.02953	2.9
113.02443	1.1
133.02982	12.5
134.03769	0.9
135.04544	2.4
145.03008	0.9
147.04482	1.0
149.02475	1.0
150.03183	0.8
151.04008	1.6
161.02487	1.1
161.04494	0.8
162.03192	1.2
163.00365	0.9
163.03986	1.5
173.02599	0.7
175.03998	3.8
177.01949	2.9
177.05528	0.8
178.02582	0.8
179.03516	1.6
179.05589	1.7
187.04080	0.8
189.01952	0.8
191.03529	1.9
191.05502	1.4
201.01903	1.2
203.03473	0.8
205.01439	1.5
213.05515	1.6
217.05038	0.7
225.05695	0.7
229.05028	0.8
233.04507	1.1
239.03459	0.8
239.07144	1.3
241.05104	1.0
245.04572	1.4
253.05217	0.8
254.05853	1.1
267.06503	1.0
283.06155	1.5
285.04089	2.2
295.06021	1.2
297.03943	3.4
298.04874	12.9
299.05624	4.1
309.04117	2.9
310.04993	0.8
311.05673	7.1
312.06482	7.8
313.03665	0.9
313.07123	9.8
314.07532	0.7
323.05579	2.0
325.03625	1.2
325.07349	2.0
327.05188	9.2
327.89572	0.7
328.05835	1.0
339.05170	15.3
340.05441	1.0
341.06708	7.4
344.05389	1.6
351.05066	1.1
353.06564	3.2
357.06128	2.8
367.04431	1.1
369.06174	53.9
370.06451	3.0
371.07730	1.3
381.06137	7.5
383.07678	1.6
395.07901	0.8
399.07236	33.8
400.07602	2.8
411.07355	4.6
413.08722	1.0
429.08252	7.9
441.08273	2.3
447.09140	3.3
471.09314	2.4
489.10428	41.2
490.10739	3.7
501.10489	1.2
519.11523	12.8
520.12170	1.3
531.11621	0.9
549.25647	2.8
591.13422	2.5
609.14642	100.0
610.15234	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	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27062	0.4
50.36142	0.4
57.03468	0.5
59.01375	2.6
59.61454	0.5
70.05991	1.5
70.06361	0.8
71.01398	1.4
77.03967	0.7
79.01936	0.7
81.03487	0.5
83.01399	0.7
85.02956	1.2
88.98772	0.5
89.02455	1.4
93.03481	0.5
94.06332	0.5
94.69779	0.5
96.96024	0.7
101.02490	1.0
107.70117	0.5
109.02969	1.0
113.02515	0.6
119.05035	1.2
121.02978	1.5
125.02454	1.0
125.50246	0.5
133.02971	9.9
133.03905	0.8
135.04527	1.4
136.01595	0.5
147.04527	0.9
149.02420	1.2
161.02492	1.0
162.37141	0.4
163.00380	2.1
163.04034	2.2
165.01895	2.4
173.04552	0.7
174.03200	0.6
175.00327	0.6
175.03987	2.1
177.01959	1.2
178.99860	0.8
189.01924	0.5
189.05624	0.5
191.03584	1.3
191.05652	0.6
193.01437	1.3
199.04033	1.3
201.01978	1.8
211.07773	0.6
213.05615	1.2
215.03494	0.5
217.05061	0.6
225.05606	0.7
227.03506	0.5
229.05048	0.5
237.05466	0.5
240.04396	0.6
241.05058	0.9
243.03055	0.9
253.04929	1.0
255.03058	0.9
255.06677	1.3
269.04626	1.6
283.06393	0.6
284.03329	7.2
285.04102	7.3
286.04578	0.5
297.04080	16.4
298.04861	16.1
299.05621	21.3
300.05923	0.9
309.04108	1.4
311.02075	1.8
311.05722	2.2
312.06281	0.5
313.03629	11.8
313.07239	0.7
314.04074	0.6
325.03552	1.4
326.04425	0.6
327.05127	100.0
328.05447	5.4
330.03903	0.7
339.05124	4.3
341.06619	0.7
357.06189	28.4
358.06512	1.4
369.06119	3.8
393.06125	1.4
399.07104	0.7
399.42447	0.5
429.08075	0.5
446.08499	0.6
447.09378	66.6
448.09689	4.9
489.03653	0.8
489.10477	10.6
490.10501	0.6
519.11292	2.8
549.25482	2.1
609.14673	53.8
610.14734	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	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.7
69.67423	1.4
69.67841	3.7
71.01399	4.6
81.69367	0.8
84.01195	0.8
89.02456	2.8
98.20690	1.0
101.02447	2.3
109.02946	1.2
117.03423	1.0
121.02911	0.9
131.01410	1.4
133.02954	9.6
134.03751	3.3
135.04492	0.9
149.02434	1.0
161.02484	1.7
163.00398	2.6
163.04001	1.6
165.01930	1.1
175.00375	3.1
175.03949	1.6
199.04039	1.0
201.02057	1.1
211.04050	1.1
225.05519	1.2
240.04277	0.9
241.04948	0.8
253.05092	1.9
254.05818	0.9
255.03189	1.4
265.39969	0.9
267.03018	1.8
269.04599	2.4
270.05484	1.6
282.05200	0.8
284.03363	6.1
285.04077	13.4
297.00677	1.2
297.04047	18.2
298.04852	68.1
299.05441	9.8
309.04080	33.4
309.07684	1.8
310.04553	2.6
311.05704	3.4
323.05472	1.4
325.03571	2.9
326.04419	1.8
327.05124	19.5
328.05356	1.0
330.03952	3.8
331.68225	0.8
338.04297	2.5
339.05121	9.1
340.05405	0.9
341.06494	1.7
351.05066	2.6
353.03073	3.4
357.06262	10.0
369.06253	3.1
371.07611	1.3
381.06393	2.0
385.05551	0.9
411.07416	1.8
429.08289	26.6
430.08676	2.3
447.09354	5.5
489.10437	28.0
489.17624	1.8
490.10611	2.3
565.03949	0.9
591.13678	1.6
609.14655	100.0
610.14954	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	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01380	7.7
61.98831	1.9
65.00345	2.0
71.01369	5.3
71.01734	1.5
83.01398	2.0
85.02945	3.0
88.98800	1.4
89.02437	2.5
93.03483	4.2
93.03971	0.9
95.01410	1.1
96.96032	7.9
101.02422	2.6
107.01407	3.2
108.02180	3.4
109.02933	2.2
111.00876	1.2
113.02468	1.8
119.03485	1.0
120.99653	3.2
121.02977	2.2
123.00922	1.3
123.04575	1.2
125.02431	2.2
126.77079	0.8
133.02982	0.9
134.03702	1.2
135.04506	3.1
137.02458	5.4
149.02434	1.8
150.03204	1.6
151.00392	14.4
151.03912	0.8
152.01096	1.7
153.01257	1.3
159.04469	1.1
160.01686	1.1
161.02457	1.4
163.00371	3.4
165.05557	2.2
173.04541	4.4
175.03984	3.1
177.01910	0.9
178.99878	5.2
179.03493	2.1
179.05669	0.9
181.05092	1.6
187.03900	1.0
191.01988	1.1
191.03868	1.1
191.05621	4.2
193.05141	2.2
195.06535	1.5
205.05016	1.1
209.02881	1.1
211.13417	1.4
215.03481	1.0
219.03032	2.6
226.02737	1.1
227.03522	3.3
229.05026	0.9
243.02979	10.4
245.04648	1.5
254.02231	2.4
255.02989	27.1
271.02493	50.6
272.03012	2.9
274.14615	0.9
283.02328	1.1
285.04047	2.4
300.02774	84.3
301.03503	34.6
302.03842	1.0
327.05157	1.9
345.85803	0.8
413.14609	1.2
435.10867	2.9
447.08676	3.9
489.10022	1.0
491.95142	0.9
521.12805	1.1
549.25574	0.9
609.14612	100.0
610.15021	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	609.1677
Annotation	PtdIns-(5)-P1 (1,2-dihexanoyl) (sodium salt)
Peak:m/z	Relative Intensity
59.01382	6.6
66.76020	0.8
67.02847	0.8
71.01393	9.0
73.02951	1.3
85.02952	3.6
87.00878	1.1
89.02470	5.3
93.03462	1.6
96.96031	2.8
99.00906	4.1
99.78058	0.9
101.02473	4.7
108.02184	46.9
109.03003	5.3
113.02454	2.7
119.03522	1.1
121.02989	1.0
125.02444	1.2
135.04546	1.8
137.02457	3.0
151.03979	1.8
152.01169	63.7
153.01970	3.8
163.04025	3.7
179.03503	1.3
179.05879	0.8
191.05598	1.7
207.03055	1.1
298.04907	1.2
327.05075	2.2
368.05142	0.9
369.06241	1.4
399.56110	0.8
447.09616	1.8
447.15372	1.5
455.11655	0.8
489.10300	1.4
609.16711	100.0
610.16974	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	609.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54475	1.1
59.01389	2.2
61.98830	5.0
71.01383	8.0
73.02944	2.9
78.95915	2.0
78.98608	4.9
79.95747	13.3
80.96524	61.9
85.02924	2.7
87.00858	2.6
89.73288	1.0
94.98087	13.3
96.96009	3.3
97.02939	1.8
101.02398	2.5
106.98090	3.4
108.02197	2.4
109.02940	2.3
122.97598	3.8
125.02457	1.9
134.97562	3.9
136.99181	1.3
148.99141	5.5
152.01118	1.8
152.98630	4.3
164.98630	10.4
179.03598	1.3
201.11493	1.1
206.99690	2.0
225.00740	13.1
299.04541	2.6
430.18066	1.0
523.18341	3.8
609.25867	100.0
610.26227	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	609.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
56.53032	0.3
57.03447	0.9
58.00571	0.8
59.01387	25.0
60.34046	0.4
60.99323	0.6
61.98839	2.5
66.08164	0.4
67.67159	0.4
69.03468	1.8
69.68726	0.3
71.01391	21.5
71.58648	0.5
72.99326	1.8
73.02946	2.8
75.00867	0.4
81.03463	0.9
83.01398	2.5
83.05024	0.7
84.95122	0.6
85.02953	5.6
87.00891	5.7
88.98814	3.0
89.02454	17.4
93.03465	1.4
95.01404	1.5
96.96005	1.5
97.02960	3.5
99.00900	1.2
99.04503	0.8
101.02460	16.8
109.02953	1.3
111.00894	0.6
111.04536	0.9
113.01714	0.6
113.02457	7.8
113.82741	0.3
119.03520	5.5
121.02958	0.7
123.00864	0.4
123.04543	0.5
124.01611	0.4
125.02462	6.2
131.03540	0.8
134.03770	0.4
135.04547	1.2
137.02441	1.1
139.00526	0.4
139.04007	0.7
141.01953	0.6
143.03531	2.7
148.05359	0.7
149.02429	1.4
152.01079	0.4
157.01431	0.4
159.04576	0.4
161.02473	0.4
161.04587	3.3
163.03972	0.5
163.07628	1.1
164.04793	1.1
165.05478	0.4
167.03577	0.5
167.10748	0.5
167.14391	0.5
173.04582	1.3
175.00417	2.1
175.04054	0.6
178.02605	0.5
179.03415	0.4
179.05649	3.5
179.07056	0.6
181.05092	0.4
183.13918	8.7
184.14268	0.4
190.02734	5.7
191.05655	1.3
193.05075	0.6
193.12360	2.3
205.05095	6.0
206.05653	0.5
211.13411	100.0
212.13734	3.9
217.07155	0.5
221.06639	1.7
223.06137	2.1
235.06070	0.5
235.08267	6.5
240.04123	0.4
241.05132	2.3
245.06674	0.4
253.09267	1.5
256.54962	0.4
263.07657	0.7
265.07233	0.8
277.09344	0.6
285.04233	0.4
287.07648	1.5
305.08780	1.5
323.09952	0.7
325.09384	0.4
327.05249	0.5
367.10397	0.5
379.12546	0.6
397.13541	45.8
398.13919	2.4
411.20438	0.9
415.14606	23.1
416.14969	1.1
435.13013	0.5
505.33606	1.3
509.20206	1.0
573.29095	0.6
591.24371	0.4
609.15674	0.6
609.25757	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	609.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.8
57.03450	1.4
59.01385	31.5
61.98837	1.6
68.99853	1.2
69.81568	7.3
71.01006	2.3
71.01393	37.7
72.99301	1.7
73.02949	7.6
83.01387	5.2
85.02965	18.5
87.00889	3.6
88.98810	1.4
89.02460	14.0
93.03497	2.9
95.01351	1.4
96.96014	9.3
99.00886	5.4
101.02460	26.0
109.02977	1.8
111.00869	4.9
113.02468	13.7
119.03520	4.2
120.24993	1.2
121.02982	3.3
125.02489	2.1
128.03548	1.8
129.01947	1.4
133.02985	4.5
134.04698	1.3
135.04530	1.9
137.02467	2.5
143.03497	2.6
145.06244	4.4
147.04555	1.5
151.04095	1.1
152.01236	1.7
152.04822	1.3
159.03035	2.6
161.02414	2.0
161.04596	7.5
164.04726	1.6
173.04535	3.7
175.03967	2.4
179.03467	1.7
179.05579	4.6
191.05623	7.1
223.06245	1.4
284.03387	3.0
285.04065	4.9
297.03973	6.2
298.04831	8.9
299.05692	8.1
309.04196	2.5
311.05426	2.4
313.03488	4.1
327.01382	2.4
327.05118	34.6
328.05405	2.8
331.11929	1.6
339.05392	2.5
357.06235	11.3
369.06165	2.1
387.20190	4.4
447.09360	22.0
448.09525	1.8
454.35333	1.3
489.10559	6.2
549.25562	100.0
550.25940	7.8
609.14545	28.7
610.15088	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	609.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
56.39954	1.2
57.03444	1.4
58.00619	1.1
59.01386	100.0
61.14288	0.9
61.98838	2.9
71.01390	39.3
71.56340	1.6
72.99329	3.2
73.02952	6.4
75.00880	1.9
79.29768	1.0
83.01389	3.6
85.02956	13.8
87.00873	3.8
89.02454	35.2
93.03483	3.8
93.48280	1.0
95.01411	2.9
96.96018	4.4
101.02454	26.0
102.20684	1.1
108.02155	1.7
109.02940	2.8
110.00719	3.0
111.00889	2.4
113.02467	17.4
119.03514	14.4
123.04569	1.4
125.02398	1.6
131.03529	1.8
133.02957	3.5
135.04503	4.9
136.01718	1.1
137.02466	3.6
142.85518	1.0
143.03548	5.0
145.02971	6.3
149.02507	1.5
149.04543	1.3
151.00406	4.2
151.03989	2.2
152.01105	1.8
153.01271	18.3
157.09726	1.4
161.02507	1.4
161.04567	10.8
161.05952	1.4
163.04071	2.0
164.35265	1.3
165.01854	1.4
165.05566	2.1
166.02710	4.6
173.04544	3.6
175.04016	3.9
179.03397	2.6
179.05670	9.2
180.04340	1.5
181.05095	7.8
191.01964	1.2
191.05644	5.0
195.06638	3.4
205.05138	1.5
211.13376	3.8
243.02960	1.3
255.03069	4.8
256.03473	1.5
271.02527	2.5
284.03284	19.2
285.04062	70.9
286.04428	5.6
298.04715	2.0
300.02866	6.7
312.10049	1.8
327.05099	4.0
327.12402	2.9
357.06317	1.4
357.13535	3.1
375.14374	1.4
375.24295	1.1
387.20145	4.5
435.10077	1.5
447.09149	55.4
448.09729	4.4
549.25531	61.9
550.26068	6.5
609.14618	15.6
610.14789	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	609.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71061	0.5
57.18005	0.4
59.01379	1.1
61.98822	0.7
69.70653	2.8
71.01379	1.6
72.00921	7.3
74.02481	7.1
74.40458	0.4
80.59454	0.5
85.66695	0.5
89.02457	1.1
91.64368	0.5
96.96021	1.7
101.02454	1.4
110.18531	0.4
116.05080	28.4
117.05418	1.0
119.03479	0.8
130.06645	0.9
134.12392	0.5
137.02455	0.6
142.06630	8.9
149.04561	0.5
152.01225	0.6
159.09303	7.0
161.04742	0.7
168.56691	0.5
186.05650	1.4
203.08284	100.0
204.08644	4.5
216.98143	0.5
285.03928	0.6
297.04126	1.0
327.05032	3.2
330.95050	0.5
357.06247	0.9
369.06183	1.2
399.07205	1.2
405.21323	1.1
410.11404	0.7
447.09372	1.7
463.90485	0.5
489.10504	1.4
609.14337	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	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03453	5.2
59.01387	75.6
60.99314	5.8
61.79326	1.6
61.98838	25.0
63.89809	1.6
71.01385	25.0
71.04964	1.6
71.58647	1.8
72.99314	5.0
73.02942	7.8
74.99094	2.5
75.00883	3.3
79.95760	1.7
83.01393	5.8
85.02958	19.9
87.00868	10.3
88.98817	37.7
89.02450	10.2
93.03465	6.8
95.01377	3.3
96.95991	2.6
99.00907	2.2
99.36213	1.7
101.02454	17.7
111.00871	4.1
113.02464	11.7
116.92857	5.0
118.98096	9.3
119.03509	3.3
119.05032	2.0
121.02968	3.9
122.03794	2.1
125.02460	3.5
134.03731	2.5
135.04512	4.5
137.02426	6.9
145.02980	2.1
149.02402	2.6
150.03203	2.0
152.01175	2.6
160.01625	2.2
161.04599	2.5
163.04019	4.9
164.04782	3.7
165.05557	3.6
173.04567	7.5
175.00334	4.2
175.04074	3.1
179.03464	1.8
183.13885	3.1
190.02733	9.3
191.05630	8.2
193.05066	3.2
198.21928	1.6
201.15024	3.1
205.05119	12.6
211.13490	9.9
221.08676	1.8
223.06169	4.0
315.25525	2.1
361.29608	9.5
397.13437	6.2
403.19626	2.8
411.19943	4.5
415.14539	2.8
432.93304	2.2
447.10217	2.2
505.33902	100.0
506.34180	9.3
523.34985	25.7
524.35199	3.3
565.34918	6.9
571.29022	2.9
573.29291	5.3
609.15198	2.7
609.25647	13.2
609.35260	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	609.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54828	2.7
53.91721	2.8
57.03458	5.9
59.01387	74.1
59.28314	2.5
60.99311	6.6
61.98838	36.9
70.56467	5.1
70.56836	5.6
71.01393	32.4
73.02963	13.8
75.00867	4.9
75.39596	2.8
79.95757	3.8
80.96523	7.7
81.03485	3.2
83.01389	7.0
85.02955	25.7
87.00871	10.3
88.98814	17.4
89.02448	6.3
93.03484	18.4
95.01402	3.6
96.96024	16.6
98.95599	3.0
99.00884	4.5
101.02435	17.6
109.02946	3.4
111.04545	5.1
113.02454	13.5
115.92075	4.7
116.92861	15.0
121.02953	5.8
125.02444	7.0
132.02150	6.0
133.02979	4.1
134.03751	9.1
135.04536	20.5
136.01674	3.1
137.02454	8.3
143.03572	2.9
149.02504	3.3
160.01675	23.1
160.87331	2.6
161.02412	4.7
161.04622	3.7
163.04007	4.1
173.04536	23.7
175.04048	23.7
179.03497	16.3
191.05624	52.6
193.05057	11.6
205.05096	6.2
205.12424	2.8
211.13309	5.5
315.25470	2.7
345.93256	2.7
353.09082	15.1
353.13348	3.1
359.18848	3.1
361.29358	4.8
370.51556	3.4
505.33917	100.0
506.34018	8.9
523.35077	9.7
565.34790	8.3
609.15955	4.1
609.27618	22.3
609.36224	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	609.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01383	5.0
61.98832	1.3
64.55210	1.0
69.41706	4.0
69.42128	3.2
93.03471	1.1
95.05038	3.6
96.21899	0.9
96.96029	1.2
97.06617	1.5
98.20685	1.0
98.60094	0.8
109.06579	1.9
117.01085	0.8
119.73279	0.8
121.10252	27.0
125.09801	1.5
141.69481	0.9
149.09700	1.6
171.10286	67.5
172.10678	2.6
177.16451	1.4
183.13954	1.9
185.11790	4.5
197.12045	1.0
197.24132	1.0
207.10034	3.8
211.13356	1.6
229.19543	1.0
231.21191	7.0
275.20172	90.7
276.20563	4.6
278.11380	11.1
293.21252	95.4
294.21603	4.7
297.18332	2.4
313.17874	1.7
313.31927	1.0
315.19427	60.4
316.19672	2.7
329.17377	2.8
347.25320	0.9
359.18344	7.1
360.18945	1.0
379.21259	0.9
404.27692	1.0
427.35699	1.2
487.29514	2.0
528.91412	0.9
609.41382	100.0
610.41608	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	609.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49690	14.0
54.80549	13.3
69.54999	85.3
76.93661	16.2
180.54768	13.5
184.02739	13.7
218.64621	12.9
279.23288	100.0
342.74435	15.3
422.89627	14.3
542.69812	14.6
569.90863	15.9
633.42920	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	610.3452
Annotation	Destruxin E diol
Peak:m/z	Relative Intensity
54.92527	1.8
55.01879	3.8
57.03443	5.5
58.00588	2.4
59.01387	98.2
61.98540	1.9
61.98840	24.9
66.71432	1.9
68.40405	2.0
71.01008	2.8
71.01392	40.6
71.13774	4.3
72.99306	5.1
73.02953	8.2
74.02486	51.6
75.00860	3.2
83.01389	6.1
85.02964	25.3
87.00874	9.5
88.98836	3.0
89.02451	18.5
93.03467	17.0
95.01409	5.0
96.96030	16.2
99.00858	3.9
101.02450	29.3
102.01944	2.3
109.02954	3.1
111.00877	5.0
113.02468	16.0
116.03546	33.5
118.98061	13.0
119.03481	5.3
120.23490	1.9
120.99673	2.2
121.02947	2.7
123.08187	2.5
124.01613	2.7
125.02453	4.3
133.02972	4.2
134.03737	6.4
135.04486	7.7
137.02477	13.3
139.04059	2.2
145.02899	2.5
149.02422	4.5
150.03236	3.3
151.03998	3.2
153.02002	3.3
159.04437	3.0
160.01646	3.7
161.02361	3.0
161.04573	8.2
162.03220	4.7
163.04025	4.1
164.04802	3.5
165.01978	4.6
165.05563	3.5
166.02724	4.2
168.00565	1.9
173.04556	8.2
175.00397	2.8
175.03947	5.8
177.01961	2.6
179.03496	8.4
179.05707	2.3
179.07127	2.6
180.04265	4.8
180.99483	2.0
181.05042	3.8
183.06599	2.9
184.74612	1.9
187.03966	3.0
189.05714	2.4
190.02696	7.2
191.03844	3.2
191.05592	18.3
193.04982	4.1
194.05751	7.5
195.06595	4.8
204.76375	2.4
205.05067	6.3
209.08221	7.0
219.02994	2.1
222.05365	24.7
223.06073	7.4
225.07643	3.1
265.07190	2.8
271.02417	2.7
287.22345	9.0
293.04572	3.3
299.02008	6.2
311.05573	4.6
311.09198	2.2
313.03616	3.3
314.04242	3.9
324.63153	2.0
327.05405	2.7
327.09097	2.4
328.05518	3.3
329.06662	7.1
341.10251	2.8
351.11182	2.5
353.10126	2.7
357.13397	4.6
362.28961	3.1
367.10120	5.2
369.09619	4.0
369.13776	2.6
387.14584	5.0
399.14563	33.2
413.14569	2.7
414.14978	2.5
436.11801	2.4
437.12210	2.5
447.09915	3.4
506.33380	100.0
507.33502	7.1
524.34546	16.9
530.28967	3.1
566.31671	11.5
567.31140	2.6
574.31805	5.4
610.16882	6.7
610.34235	23.4
610.42474	3.3
611.14899	11.7
611.34729	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	611.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98824	5.8
61.99125	1.2
63.73074	1.1
64.53243	1.1
70.14986	4.6
71.01349	2.7
78.95901	6.8
79.95755	4.0
85.02969	1.5
88.86562	1.3
93.03436	2.3
96.96024	100.0
96.96928	7.7
99.33142	1.4
110.02544	1.3
133.02986	2.4
173.04547	5.9
177.02019	1.5
191.05632	1.6
211.13307	2.0
258.00009	1.6
277.21713	4.9
279.23322	1.7
283.13394	1.4
312.58017	1.2
494.63440	1.6
528.29498	1.5
553.80219	1.4
611.29028	3.2
632.21497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53591	0.5
54.90808	0.6
57.03450	1.0
57.96255	0.5
59.01384	6.0
60.99299	1.0
61.98572	0.6
61.98835	6.9
62.40302	0.5
69.53716	4.0
71.01392	7.6
72.99295	1.7
73.02949	1.2
75.00886	1.1
81.53770	0.6
83.01354	1.0
85.02965	4.2
87.00863	1.3
88.98820	7.4
89.02463	2.7
93.03470	35.9
94.03837	0.6
95.01406	1.3
96.96023	2.8
96.99316	0.9
97.02983	1.1
99.00878	0.8
101.02441	4.2
108.02168	0.8
109.02995	0.7
111.00928	0.7
113.02459	2.4
119.05064	0.6
121.02957	2.1
124.50453	0.7
125.02388	0.7
133.02945	0.8
134.03699	1.0
135.04521	2.1
136.01665	1.4
136.07751	0.6
137.02473	33.9
138.02910	0.7
147.04553	1.5
149.02426	1.1
151.04027	1.6
161.02446	3.5
164.04839	1.0
165.05632	0.9
173.04575	3.9
175.00383	0.7
179.03476	1.9
190.02650	1.5
191.03502	1.4
191.05632	4.0
193.01428	1.2
193.05128	1.2
195.06573	0.8
203.03543	1.1
205.05074	1.4
213.14978	1.4
227.03520	5.1
242.02097	0.8
243.03020	1.2
265.07278	0.7
270.01666	3.3
271.02539	8.2
280.03702	0.9
281.06839	3.3
282.05270	0.7
284.03250	1.0
285.04056	11.0
285.71799	0.8
295.06094	1.1
296.85965	0.6
299.02008	33.1
300.02377	3.4
313.03583	14.8
314.04346	40.8
315.04865	3.2
327.05017	2.2
327.08646	0.7
328.05896	7.2
329.06693	37.5
330.06891	1.6
371.07639	0.9
397.13696	0.9
419.11072	0.8
506.34143	1.0
611.14056	100.0
611.29834	2.4
612.14417	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73155	1.2
59.01390	14.5
61.44000	1.3
61.98835	21.4
69.29624	2.5
69.30033	9.1
71.01392	10.2
72.99306	1.8
74.02483	2.3
75.00882	3.2
78.23510	1.2
85.02950	5.0
87.00884	3.1
88.98845	1.9
89.02444	4.4
91.01898	1.9
93.03465	3.5
95.01367	1.8
95.08729	1.3
96.96022	5.1
98.20684	2.9
99.00874	2.0
101.02457	4.3
103.05527	1.9
109.02980	13.2
111.00899	1.3
111.04521	1.5
113.02463	5.2
117.03480	14.7
119.01367	3.1
119.05003	1.6
120.99674	1.7
121.02951	4.6
121.28435	1.2
123.04578	1.4
127.75970	1.6
133.03050	1.7
134.03752	2.0
135.04532	8.6
137.02512	4.1
139.98376	1.3
143.03526	1.5
147.00940	3.2
147.04535	3.7
149.02458	27.0
152.01108	2.7
153.01909	3.0
159.04527	1.7
161.02454	4.4
161.06154	1.4
162.03253	1.4
163.04008	6.6
164.04793	15.3
165.01898	4.8
165.05469	2.2
166.02672	1.4
167.03474	3.6
173.04546	2.8
175.00369	19.3
175.03987	4.6
177.01961	39.4
177.05548	1.9
178.02660	1.5
179.03496	6.0
179.07127	4.5
180.04326	3.7
181.05048	1.7
187.04031	3.5
189.02016	1.5
189.05571	4.6
190.02725	42.2
191.03459	10.8
191.05408	2.7
192.04268	18.4
193.01503	1.6
193.05054	2.6
195.02875	2.0
195.06586	4.1
203.07211	1.6
205.05080	44.0
206.05759	7.7
207.03035	1.6
207.06583	4.9
208.03766	4.6
217.05093	1.4
219.03024	1.6
221.08250	8.0
223.06123	36.1
224.06476	1.5
225.07634	3.1
237.07654	2.8
250.04880	2.9
265.04330	1.9
265.07162	34.3
266.07507	1.8
279.06708	2.5
283.06195	3.0
293.04736	2.5
295.05838	5.7
295.08823	10.8
307.06110	17.1
308.06772	4.7
309.07709	39.5
311.05609	5.0
319.06210	3.1
321.07864	6.4
325.09348	17.2
337.07202	99.2
338.07590	6.8
340.05722	4.0
341.06720	1.6
349.07349	9.7
361.18777	1.5
367.08002	38.7
368.08405	2.1
379.08258	2.9
385.11472	4.3
431.09927	5.0
439.10254	2.4
457.11435	100.0
458.11877	7.6
491.09952	5.4
501.10339	7.5
563.17926	3.5
593.18994	16.6
594.28021	1.8
611.14136	40.8
611.25525	16.2
612.14075	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73155	1.2
59.01390	14.5
61.44000	1.3
61.98835	21.4
69.29624	2.5
69.30033	9.1
71.01392	10.2
72.99306	1.8
74.02483	2.3
75.00882	3.2
78.23510	1.2
85.02950	5.0
87.00884	3.1
88.98845	1.9
89.02444	4.4
91.01898	1.9
93.03465	3.5
95.01367	1.8
95.08729	1.3
96.96022	5.1
98.20684	2.9
99.00874	2.0
101.02457	4.3
103.05527	1.9
109.02980	13.2
111.00899	1.3
111.04521	1.5
113.02463	5.2
117.03480	14.7
119.01367	3.1
119.05003	1.6
120.99674	1.7
121.02951	4.6
121.28435	1.2
123.04578	1.4
127.75970	1.6
133.03050	1.7
134.03752	2.0
135.04532	8.6
137.02512	4.1
139.98376	1.3
143.03526	1.5
147.00940	3.2
147.04535	3.7
149.02458	27.0
152.01108	2.7
153.01909	3.0
159.04527	1.7
161.02454	4.4
161.06154	1.4
162.03253	1.4
163.04008	6.6
164.04793	15.3
165.01898	4.8
165.05469	2.2
166.02672	1.4
167.03474	3.6
173.04546	2.8
175.00369	19.3
175.03987	4.6
177.01961	39.4
177.05548	1.9
178.02660	1.5
179.03496	6.0
179.07127	4.5
180.04326	3.7
181.05048	1.7
187.04031	3.5
189.02016	1.5
189.05571	4.6
190.02725	42.2
191.03459	10.8
191.05408	2.7
192.04268	18.4
193.01503	1.6
193.05054	2.6
195.02875	2.0
195.06586	4.1
203.07211	1.6
205.05080	44.0
206.05759	7.7
207.03035	1.6
207.06583	4.9
208.03766	4.6
217.05093	1.4
219.03024	1.6
221.08250	8.0
223.06123	36.1
224.06476	1.5
225.07634	3.1
237.07654	2.8
250.04880	2.9
265.04330	1.9
265.07162	34.3
266.07507	1.8
279.06708	2.5
283.06195	3.0
293.04736	2.5
295.05838	5.7
295.08823	10.8
307.06110	17.1
308.06772	4.7
309.07709	39.5
311.05609	5.0
319.06210	3.1
321.07864	6.4
325.09348	17.2
337.07202	99.2
338.07590	6.8
340.05722	4.0
341.06720	1.6
349.07349	9.7
361.18777	1.5
367.08002	38.7
368.08405	2.1
379.08258	2.9
385.11472	4.3
431.09927	5.0
439.10254	2.4
457.11435	100.0
458.11877	7.6
491.09952	5.4
501.10339	7.5
563.17926	3.5
593.18994	16.6
594.28021	1.8
611.14136	40.8
611.25525	16.2
612.14075	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	611.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01384	11.5
59.94376	1.7
61.98838	6.2
69.45621	12.7
71.01398	17.0
72.91894	1.6
73.02943	2.8
75.00864	2.3
79.01945	1.6
81.36346	1.6
85.02954	4.7
85.10262	1.7
87.00875	4.7
89.02407	3.8
91.01908	3.9
93.03455	4.5
98.19882	3.2
101.02451	8.2
109.02948	3.3
113.02486	4.2
119.01407	7.0
119.05042	2.5
119.53643	1.5
121.02965	12.2
123.00860	1.9
134.03741	1.5
135.04530	10.6
138.03244	2.9
147.00858	6.7
147.04556	3.1
149.01285	3.7
149.02463	67.5
151.00441	3.8
151.04077	2.6
152.01221	4.3
153.01958	1.7
153.05548	2.5
161.02399	3.8
163.04033	7.7
164.04810	41.8
165.01932	7.5
165.05508	3.1
169.05194	1.6
175.00385	43.4
175.03926	2.6
176.01123	4.4
177.01950	95.5
178.02612	3.9
179.03540	8.5
179.07106	8.0
180.04280	3.2
181.05042	2.4
188.04790	1.9
189.01825	1.9
190.02742	100.0
191.03477	20.8
192.04292	46.8
193.01427	3.0
193.04951	5.3
194.05786	2.3
195.02992	4.8
195.06662	3.2
203.07137	3.6
205.05069	93.0
206.05830	17.6
207.02985	3.5
207.06610	10.1
208.03754	6.6
208.06947	1.7
209.04491	3.6
221.08237	20.8
223.06119	87.1
224.06487	2.8
225.07674	5.8
237.07671	8.7
247.06128	2.0
250.04758	7.2
265.07193	90.6
266.07465	3.5
287.05579	3.4
295.08298	30.1
307.06168	4.9
309.07684	3.8
311.05579	2.5
325.09299	49.5
326.09717	2.7
327.05182	4.8
337.07147	19.8
361.18439	2.8
362.09634	2.0
367.08279	7.4
385.11594	9.6
387.12943	2.4
419.92551	1.8
447.09283	6.0
449.14368	2.0
457.11514	19.9
551.27112	11.3
593.18774	43.0
594.18878	3.7
611.19708	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00894	1.1
59.01389	17.1
60.09170	1.3
61.98828	3.4
64.53046	1.2
65.00339	1.3
69.52386	5.9
69.52800	2.8
71.01392	11.7
72.99316	2.3
73.02952	1.5
75.00874	4.1
78.30813	1.2
83.01382	2.1
85.02951	9.1
87.00901	3.4
89.02451	4.4
91.01875	1.7
93.03461	3.5
96.96014	1.8
98.20599	3.0
99.00900	1.5
101.02457	4.1
109.02950	1.6
113.02464	6.0
119.01400	10.0
119.05021	1.6
120.99627	1.8
121.02972	10.8
132.02177	2.1
134.03745	1.4
135.04524	4.8
137.02446	2.7
138.03169	1.8
147.00868	4.9
147.04555	3.3
149.02458	60.7
150.03127	2.1
151.03879	1.5
152.01117	1.8
160.01697	2.2
161.02318	1.5
161.83484	1.4
163.04004	7.7
164.04811	36.1
164.06160	2.0
165.01930	3.2
165.05519	4.6
166.02684	1.4
173.04605	2.0
175.00383	36.9
176.01047	5.3
177.01950	100.0
177.05228	2.6
178.02594	3.8
178.06346	1.5
179.03519	10.3
179.07164	8.0
181.05003	2.3
189.02002	1.9
190.02736	89.1
191.03513	18.9
191.05515	2.1
192.04303	48.0
193.01451	2.8
193.04958	4.6
194.05850	3.2
195.02971	2.5
195.06540	1.4
199.13397	1.6
200.37267	1.3
203.07199	3.2
205.05081	83.5
206.05833	18.7
207.02974	4.3
207.06602	12.9
208.03853	7.3
209.04329	1.4
210.05383	4.3
221.08209	17.5
221.20035	1.4
222.05284	2.2
223.06129	71.2
224.06525	2.8
225.07706	5.3
235.02464	2.2
237.07695	9.6
247.06090	4.5
250.04791	5.9
265.07196	80.4
266.07471	3.5
277.07233	1.7
295.08270	25.8
296.08618	1.6
309.07727	2.8
325.09329	45.9
326.09805	1.9
337.07339	4.7
361.18631	4.6
385.11371	11.7
387.13174	1.8
399.14563	1.3
457.11292	6.2
470.49567	1.5
593.18756	38.0
594.19476	4.5
611.26367	25.2
612.25891	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	611.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06623	0.7
58.81932	0.7
59.01395	4.9
61.98845	2.4
67.01901	1.1
69.57209	4.6
71.01392	6.5
73.02982	1.2
75.00843	0.8
83.01429	1.5
85.02966	4.1
85.42580	0.7
87.00910	1.2
88.98866	0.9
89.02483	1.9
93.03460	3.9
96.96028	8.3
96.96517	0.8
97.03016	0.9
101.02448	1.9
108.01574	0.9
108.02171	3.9
109.03028	2.6
111.00911	1.4
113.02485	2.0
119.01453	3.4
119.03505	1.4
120.99663	0.9
121.02940	5.3
133.03017	2.3
134.03865	1.2
135.04596	3.5
137.02455	13.0
138.03064	0.8
141.14969	0.7
147.00923	3.5
149.02454	11.9
150.03238	1.0
151.03995	1.1
152.01216	4.3
153.02110	4.7
155.00894	2.1
162.03271	1.1
163.04070	2.2
164.04807	12.4
165.01945	71.6
166.02538	2.9
167.03598	1.4
168.24345	0.8
169.05089	1.0
173.04636	2.3
175.00383	21.7
176.00972	1.3
179.03609	3.3
179.07233	3.3
180.04297	48.4
181.04922	3.8
183.06659	1.7
189.02078	1.2
190.02747	50.2
191.03435	2.8
191.05692	2.5
193.01456	1.7
193.05023	0.9
195.03191	2.2
195.06639	100.0
196.06966	4.2
205.05067	59.3
206.05627	1.9
208.03911	3.5
209.04694	2.3
210.05412	1.1
211.06209	0.8
221.08211	1.3
223.06134	19.5
224.06572	1.6
225.07849	2.2
243.08873	2.2
247.06229	1.4
265.07303	1.6
281.06906	0.9
285.04260	1.2
315.07523	0.8
357.08594	1.6
367.10349	99.8
368.10684	6.7
381.06689	0.9
405.37335	0.8
440.31357	0.9
449.10483	1.3
538.52692	0.8
611.20160	32.3
611.29382	1.2
612.20422	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	611.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66533	0.4
59.01384	1.0
61.98837	0.5
64.46071	0.4
66.55198	0.5
71.01386	0.6
78.95913	6.3
79.61295	0.4
79.95734	3.2
81.77431	0.4
96.96022	100.0
96.96919	7.5
98.20387	4.1
128.74567	0.4
133.02965	0.5
162.06401	0.5
173.04552	0.9
229.82637	0.6
253.85986	0.6
277.21768	1.4
279.23447	0.6
283.13403	0.5
351.06171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42847	0.8
59.01384	1.1
61.98829	1.0
68.03212	0.8
70.30414	1.7
70.30810	1.8
71.01398	1.0
78.95913	11.7
79.95751	4.2
83.40350	0.8
90.28374	0.8
96.96019	100.0
96.96940	18.8
138.08507	0.8
162.22548	1.0
277.21790	2.9
281.88168	0.9
351.06119	2.9
529.29102	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	611.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
59.14418	0.6
61.98840	8.0
63.96251	1.1
69.03456	0.6
70.40594	1.1
70.40919	0.8
71.01384	6.6
73.02949	1.4
76.35856	0.6
77.56808	0.5
78.98585	4.9
79.95751	7.4
80.96524	49.8
85.02959	2.9
87.00877	2.3
94.98098	10.7
95.13899	0.5
96.96007	2.5
97.02950	1.3
97.92211	0.5
98.19996	0.6
101.02428	2.0
106.98104	2.5
112.98528	0.5
115.79572	0.5
122.97612	3.1
125.02454	1.4
127.10455	0.6
134.97594	3.3
136.99196	0.9
142.28551	0.5
148.99152	4.1
152.98663	4.4
164.98663	9.0
206.99706	1.7
225.00745	13.0
234.82762	0.6
238.19318	0.6
299.04486	2.2
611.27466	100.0
612.27789	8.0
619.04120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20384	0.4
54.66557	0.3
57.03458	0.5
58.00598	0.6
59.01389	19.1
61.98839	4.8
69.03446	0.9
69.62953	0.8
69.63365	1.2
71.01396	14.1
72.99324	1.3
73.02955	2.6
75.00882	1.1
81.03493	1.1
83.01405	1.9
85.02971	4.7
86.35948	0.3
87.00885	3.6
88.98818	1.3
89.02457	13.4
91.04003	0.6
93.03471	2.6
95.01399	1.4
96.96007	1.1
97.02982	2.3
98.20639	0.5
99.00903	0.9
99.04500	0.5
101.02460	11.9
101.03107	0.7
108.02205	1.1
109.02969	1.2
111.00893	0.6
111.04528	0.6
113.02470	6.1
117.03461	0.3
119.03521	3.3
121.02943	0.5
125.02470	4.1
131.03513	0.6
133.05116	0.4
133.32927	0.3
134.03789	0.7
135.04512	1.7
137.02461	1.4
143.03499	2.1
145.03012	0.4
147.04607	0.6
149.02446	0.7
150.86092	0.4
152.01213	0.7
153.01956	0.6
155.03584	0.5
159.04529	0.5
161.02464	0.6
161.04578	2.8
165.01970	0.5
173.04593	3.4
173.05908	0.5
175.04016	1.0
176.56384	0.3
179.03542	0.9
179.05624	3.1
183.13934	13.0
187.04103	0.5
187.07707	0.9
189.05605	0.4
190.02786	1.0
191.05649	3.3
193.05133	0.4
195.06615	0.6
195.13921	12.5
196.14342	0.5
203.03502	0.6
205.05116	1.7
211.13513	0.7
213.14986	100.0
214.15317	4.0
221.06702	0.8
223.06146	1.0
231.06483	0.4
231.13991	1.1
235.08249	4.8
253.09271	1.6
275.09280	0.5
287.07809	1.0
295.06204	0.5
305.08774	0.9
315.07401	1.1
323.09863	0.5
327.05161	0.7
329.05713	0.4
335.07681	0.4
349.11844	0.9
351.12460	0.4
369.10052	0.4
393.13528	0.9
397.13550	30.2
398.13974	1.9
411.20248	1.3
413.21524	0.4
415.14600	20.5
416.15024	1.5
437.12299	1.4
449.08896	0.7
611.16296	0.4
611.27075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45251	1.2
54.08511	1.5
54.77095	1.6
57.03456	2.6
58.00571	1.9
59.01385	68.9
61.98834	22.1
67.01888	2.8
69.33399	12.9
71.01395	41.1
72.99288	3.7
73.02940	2.8
83.01414	3.5
83.05012	1.6
85.02959	17.2
87.00890	4.5
88.98820	5.0
89.02452	43.0
93.03457	14.5
93.26785	1.5
95.01381	3.4
96.96010	6.9
98.12119	1.6
98.19926	3.0
101.02451	28.1
108.02211	1.6
109.02950	5.9
109.81195	1.5
111.00862	2.7
111.04481	3.9
113.02458	15.9
119.03523	16.4
121.02958	6.8
123.04515	2.2
131.03470	2.9
133.02931	5.2
134.03780	1.8
135.04538	23.2
137.02461	8.2
138.03261	1.6
143.03484	4.1
147.41072	1.6
149.02435	2.7
149.06081	1.7
151.00339	2.9
155.03493	4.3
161.02451	6.2
161.04553	5.1
161.06006	2.8
166.02536	1.5
173.04593	25.9
174.04730	1.8
175.03990	2.1
177.01967	2.0
179.03482	15.4
179.05637	10.0
180.04167	2.9
190.02730	2.6
191.03983	3.1
191.05615	41.8
192.05997	2.8
195.06548	2.7
209.04497	5.5
227.86031	1.8
241.05106	2.4
242.05815	3.6
243.06540	11.1
271.09683	5.1
277.33081	1.8
288.20554	1.8
299.04807	1.7
327.04944	2.6
353.08679	5.4
371.06992	2.4
371.20651	1.8
401.07330	2.5
413.13779	1.6
428.62485	1.8
449.10077	2.0
491.11331	4.7
524.12555	3.9
533.12744	2.0
545.94189	1.7
551.27106	100.0
552.27618	8.9
611.14874	18.6
612.15344	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	612.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98835	100.0
69.43346	1.7
71.01390	1.1
85.02979	1.0
89.02463	0.9
93.03470	1.1
96.96039	0.5
98.20721	0.3
101.02471	0.6
108.02219	0.4
109.02972	0.3
113.02477	0.3
121.02985	0.3
134.03789	0.7
135.04529	0.3
136.01733	0.2
137.02480	0.8
139.00389	0.4
148.94670	0.2
152.01257	0.3
153.01965	1.5
155.03546	0.3
168.04370	0.6
169.05183	0.2
173.04617	0.8
179.03519	0.5
191.05655	1.2
198.04608	0.3
204.51254	0.2
281.06833	0.4
282.85950	0.2
328.05237	0.2
385.13086	0.4
451.12418	2.0
552.26929	0.9
583.21204	0.3
612.16650	0.8
613.15527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
61.98534	1.0
61.98837	13.8
69.03462	2.0
71.01384	4.1
71.57730	1.1
72.40014	0.7
73.02940	1.0
81.03458	1.2
83.01388	1.2
83.05050	0.6
85.02960	3.6
87.00874	1.3
88.98793	0.9
89.02459	2.2
93.03468	13.8
95.01387	3.5
96.96039	3.8
97.02950	2.3
97.69984	0.7
101.02486	3.2
107.01379	1.1
107.55901	0.6
108.02171	2.2
109.02923	1.7
110.00146	0.8
113.02440	1.8
121.02967	2.6
123.00922	8.4
124.01690	19.8
125.02469	31.1
134.03752	1.7
135.04546	3.5
136.01648	1.4
137.02469	23.0
137.99545	0.9
139.00395	1.3
139.04050	1.1
149.02449	1.0
149.99606	27.5
151.00377	4.5
151.03969	1.7
152.01076	1.3
153.01964	9.2
154.02660	0.9
161.02472	1.1
165.01941	0.7
166.02722	1.1
167.03468	2.1
168.00664	54.5
168.04248	3.6
169.01468	6.0
173.04541	2.5
175.04002	0.7
179.03452	2.9
191.04031	0.6
191.05641	4.7
193.05042	1.0
195.06534	1.1
209.04610	1.9
215.17467	0.6
221.04518	0.8
281.06683	11.6
313.05621	1.9
313.11557	0.7
315.07309	1.1
331.06628	2.3
385.12619	1.3
385.59457	0.8
433.07724	1.8
433.14645	0.8
451.07916	3.8
451.12485	10.5
491.11835	1.0
492.12491	0.9
508.06763	0.8
577.30853	0.8
583.20313	1.2
595.12750	0.8
613.14105	100.0
614.14423	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	613.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	63.1
61.98828	61.7
66.34020	15.7
70.11685	16.3
71.01386	51.3
71.56022	28.3
72.39645	18.0
77.31242	18.9
79.95797	18.3
82.95417	25.8
85.02975	22.1
85.69281	19.0
94.54835	18.1
96.96014	72.2
101.02479	29.1
109.06655	19.8
113.06073	39.4
171.10303	70.3
179.03545	22.6
179.25439	20.8
186.48573	19.5
199.09825	100.0
207.10245	86.5
209.11824	80.7
223.13481	22.6
225.11382	93.9
227.12802	26.3
245.56776	18.4
253.09409	97.7
279.16284	19.4
299.04730	23.0
405.98495	19.3
461.20087	37.0
613.26398	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01369	1.2
61.98830	2.1
67.49313	0.8
71.56340	0.7
78.95909	1.0
81.43961	0.7
95.05069	0.9
96.96013	0.9
123.08119	1.0
125.09704	2.0
141.12823	0.9
144.51930	0.8
151.11252	0.9
171.10291	45.7
172.10532	1.3
191.06906	1.3
195.13821	0.8
209.07896	0.8
249.22272	1.8
253.56641	0.8
277.21753	49.5
278.11456	1.0
278.22147	3.3
295.22800	100.0
296.23206	5.6
317.20984	40.5
318.21399	2.6
331.19138	0.9
361.19934	7.3
433.40396	0.9
613.44470	74.3
614.44769	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	614.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.2
70.07743	0.4
74.19887	0.1
78.09759	0.1
78.95910	1.2
79.95739	2.5
96.96021	100.0
97.95965	0.2
152.99571	0.2
171.00771	0.1
195.85333	0.1
334.57080	0.1
345.04230	0.1
397.23096	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	614.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71909	0.2
59.21542	0.2
60.53267	0.2
61.98834	0.6
69.35757	0.4
69.36147	1.4
69.84584	0.2
78.95912	4.9
79.95747	3.0
82.21482	0.2
95.04234	0.2
96.96025	100.0
96.96903	2.8
97.95982	0.3
141.29018	0.2
152.99611	0.8
171.00633	1.1
176.76405	0.2
183.27126	0.2
201.48833	0.2
276.94547	0.2
614.38251	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	615.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.2
60.99318	3.3
61.98837	12.2
68.58666	2.2
70.83028	2.4
70.86964	4.0
70.87282	2.3
71.01382	9.4
78.95925	4.5
79.95766	2.7
80.11232	2.0
85.02947	9.9
87.00864	4.2
88.98808	8.1
89.02443	9.9
93.03461	9.7
94.98129	2.7
96.96023	100.0
101.02425	5.6
108.02203	3.7
109.02997	3.2
111.00871	2.8
113.02444	2.8
119.03539	3.9
133.01550	7.9
133.03006	5.8
134.03732	2.8
135.04532	17.4
137.02499	3.7
149.02336	2.3
150.04227	15.4
153.01927	2.2
163.04094	3.4
165.01910	9.2
173.04556	14.5
175.04053	3.1
177.01976	2.8
178.02586	2.4
179.03502	16.9
179.05745	2.7
186.00308	2.1
191.05635	15.4
193.04990	3.5
195.06642	6.0
200.11230	2.3
216.43947	2.3
297.04282	2.7
298.04825	6.3
311.05588	4.2
312.06418	6.4
313.07199	7.0
339.05020	7.2
341.06912	3.7
369.06158	29.2
381.06094	4.9
399.07230	18.9
411.07288	3.4
417.12094	3.5
419.06552	4.3
429.08456	4.9
441.08292	3.6
441.13901	2.6
459.09280	5.1
489.10266	9.6
519.11725	2.9
579.13593	95.3
580.13770	11.2
615.20306	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	615.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93699	0.2
57.03453	0.3
59.01386	2.1
61.98535	0.3
61.98837	3.8
65.82974	0.3
69.03464	2.7
71.01392	1.9
71.56433	0.3
72.99310	0.7
73.02966	0.4
78.91898	0.5
78.95936	0.2
80.91703	0.5
83.01413	0.6
85.02935	1.3
87.00880	0.3
88.98821	0.5
89.02454	1.1
89.03988	0.3
91.05560	0.6
93.03463	1.5
95.01407	1.0
96.96035	4.3
97.02979	1.0
99.00890	0.3
101.02457	1.1
108.02197	0.4
109.02928	0.4
111.00900	0.5
111.04553	0.3
113.02438	1.2
116.05068	0.3
117.03457	0.9
119.01433	0.3
119.03475	0.4
119.05052	1.1
119.73877	0.2
121.02972	9.0
123.00892	1.7
125.02476	0.4
132.02162	1.2
134.03738	0.7
135.04538	2.1
137.02466	1.0
141.01950	1.5
145.02916	0.3
147.00935	0.3
147.04530	4.2
149.02457	56.6
150.02809	1.5
152.01184	1.6
153.05653	0.3
159.02966	0.3
161.02414	0.5
161.04564	0.4
162.03149	0.3
163.04076	1.9
164.04810	43.2
165.01973	0.7
165.05188	1.5
166.99841	0.4
167.03484	0.5
169.05070	0.6
173.04564	0.8
175.00360	1.5
175.04074	0.3
177.01994	0.3
179.03578	0.7
179.05667	0.4
179.07111	3.4
180.04320	0.3
181.05026	0.4
185.01009	1.3
190.02769	3.6
190.68655	0.3
191.01947	0.3
191.05646	1.4
193.01442	2.8
193.05087	0.3
195.06624	0.4
205.05055	3.4
206.05638	0.3
208.03796	4.2
222.05353	0.4
223.06139	100.0
224.06473	3.7
225.05637	0.3
225.07695	0.3
229.05194	0.3
244.07445	0.5
259.09781	0.4
265.07504	0.3
275.09338	0.4
299.02020	0.4
303.08813	0.5
329.06631	1.2
367.21445	0.3
391.06750	0.4
409.07889	0.7
429.84189	0.3
441.17633	0.5
501.19843	0.3
552.47797	0.3
579.30432	0.4
615.22742	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	615.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01384	3.4
59.17274	0.3
61.98833	2.6
65.38044	0.3
71.01394	2.5
72.99313	0.7
73.02945	0.5
75.00864	0.4
78.91913	0.4
78.95865	0.3
79.95760	0.5
81.03477	0.3
83.01394	0.7
83.05038	0.3
83.24174	0.3
85.02945	2.0
86.26301	0.3
87.00855	0.4
88.98804	0.8
89.02435	1.4
89.08830	0.3
93.03482	1.7
93.44279	0.3
94.98097	1.4
95.01410	0.3
96.96021	11.2
98.19881	0.7
99.00899	0.4
99.04561	0.5
101.02445	1.3
109.02951	0.6
111.00953	0.3
113.02437	1.5
117.03489	2.0
119.05039	100.0
120.05378	2.5
121.02977	1.1
123.04533	0.3
125.02435	1.1
132.02193	0.3
133.06642	0.3
134.03734	0.6
135.04550	1.0
137.02440	3.2
145.02968	3.7
149.02434	0.8
150.03175	0.3
153.02005	0.4
158.03752	0.3
161.02391	0.3
161.04617	0.4
161.06062	0.5
162.03239	0.4
163.04025	81.2
164.04393	2.4
165.01939	13.0
166.02608	0.4
173.04524	0.7
175.04079	0.4
177.01956	0.8
178.02507	0.3
179.03510	0.8
179.05620	0.3
180.04292	7.2
180.05817	0.6
181.04951	0.7
187.02448	0.3
190.02731	0.4
190.53458	0.3
191.01978	0.3
191.05652	1.0
192.04303	1.2
193.04987	0.3
195.06631	14.5
205.05037	0.9
207.06642	1.5
223.06110	0.9
225.07803	0.4
247.13385	0.4
254.09904	0.3
327.12225	0.5
339.16986	0.3
366.11789	0.4
371.11285	1.6
441.17673	1.1
471.18561	0.4
615.20844	7.8
615.31488	0.8
616.20935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4061
Annotation	Fucoxanthinol
Peak:m/z	Relative Intensity
57.03459	36.0
59.01385	6.7
71.05042	3.5
71.45487	2.6
71.47591	2.6
79.95722	3.3
80.96530	10.7
83.05032	10.5
94.98112	2.8
95.05011	2.3
107.05040	4.2
107.50331	2.2
121.06618	5.0
123.08226	3.7
130.61034	2.7
137.09787	6.0
147.08165	3.9
149.09724	3.8
161.09706	5.1
163.11334	3.0
171.08167	3.4
175.11298	4.2
189.12801	4.1
207.13899	6.1
212.82629	2.3
215.14549	4.4
225.00833	3.1
245.15469	2.8
264.29358	2.9
273.02628	2.6
273.18509	2.7
327.66895	2.5
435.28702	3.3
513.13672	4.5
539.35321	8.3
555.28461	18.7
557.28284	6.7
557.36615	16.3
561.36926	2.9
579.38263	8.6
597.39813	24.3
598.39734	5.6
615.20673	13.1
615.30615	5.4
615.40625	100.0
616.20593	3.3
616.41003	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	616.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.5
67.82508	0.1
71.25688	0.3
78.95916	1.1
79.95289	0.2
79.95747	2.9
96.96023	100.0
97.95966	0.4
129.88620	0.1
152.99637	0.2
153.41124	0.2
156.59705	0.1
166.20897	0.2
172.67354	0.1
419.05319	0.2
637.51447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91720	0.2
61.98823	0.6
62.29822	0.2
78.95900	2.2
79.95748	2.6
96.96017	100.0
99.53786	0.2
106.99120	0.2
115.05479	0.3
128.11641	0.2
136.25114	0.3
152.99617	0.6
173.04565	0.3
196.80225	0.2
229.86702	0.2
370.27457	0.2
468.07257	0.3
558.57147	0.3
590.91248	0.3
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
60.05851	0.4
61.98837	100.0
69.23268	2.2
69.23702	2.7
72.74466	0.5
75.74722	0.5
83.54073	0.5
96.03690	0.6
101.66694	0.4
109.81654	0.5
133.51033	0.6
179.10750	0.7
194.37476	0.5
197.11913	2.1
203.55891	0.6
214.40173	0.5
222.97325	0.5
246.15631	0.5
255.23384	2.4
330.05127	0.5
536.32880	0.6
553.37543	5.7
554.37842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01385	3.0
59.67412	0.3
61.98837	2.1
65.00336	0.5
71.01387	3.8
71.05890	0.8
72.99315	1.1
73.02948	0.4
81.03460	0.7
82.95419	1.5
83.01394	1.6
83.16937	0.4
85.02950	1.6
85.32563	0.3
87.00863	1.2
89.02460	1.4
93.03479	0.7
95.01397	0.8
95.05030	0.7
96.96021	4.9
99.04585	0.5
101.02448	1.4
107.01406	0.6
108.02219	0.4
109.02978	0.6
113.02460	1.1
116.92876	0.5
119.03501	0.6
121.02951	0.7
121.06627	1.0
123.04532	1.3
124.01661	0.4
125.02459	60.9
126.02808	1.6
127.00403	0.4
132.02197	0.6
133.02975	7.8
134.03754	0.5
135.04558	6.8
137.02417	1.0
140.66071	0.4
141.50877	0.4
147.04544	1.0
149.02469	1.7
151.00368	2.1
152.01086	0.4
160.01628	0.5
161.02464	16.8
161.04564	0.8
161.06099	0.5
162.02859	0.5
163.07687	1.8
165.05661	0.9
167.03525	1.8
168.00703	0.6
173.04495	0.7
175.04057	0.6
177.05641	0.4
179.03519	3.6
190.02779	1.5
191.03522	20.3
191.05508	1.3
192.03905	0.4
193.05067	1.1
203.03516	26.0
204.03824	0.9
205.05083	1.1
213.05540	0.9
218.47424	0.4
229.04985	0.4
229.14420	0.5
231.06664	4.9
247.06134	8.9
248.06436	0.7
249.07571	2.0
257.04636	1.3
275.05634	9.0
276.06213	0.4
293.06699	100.0
294.07050	3.6
299.05621	0.9
311.07806	3.6
323.07806	1.7
335.07779	1.0
341.08493	0.5
455.11972	56.2
456.12344	3.8
603.30579	0.4
617.16223	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	617.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63940	2.8
59.01384	68.7
61.98821	5.3
69.03452	6.3
69.22241	31.9
71.01389	60.3
72.99337	3.9
73.02958	11.8
83.01394	4.0
83.94130	2.9
85.02960	15.7
87.00884	5.0
87.44669	3.2
89.02454	78.5
95.01414	5.2
97.02974	3.8
101.02459	52.0
113.02464	25.1
119.03520	39.0
125.02464	29.7
131.03534	6.2
139.04066	3.3
143.03520	10.8
149.04607	4.3
161.04530	13.4
171.10298	53.9
179.05638	42.5
209.11832	42.0
211.98915	3.7
214.69991	3.3
221.06592	19.3
227.12816	4.9
233.15486	100.0
234.15810	3.5
253.09305	4.1
263.07706	8.4
323.09851	63.1
537.14587	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	618.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95537	2.2
58.02980	7.3
59.01384	5.3
61.98832	9.7
67.01891	3.3
68.30887	2.2
70.02985	3.7
70.83971	4.5
71.01395	6.4
72.00933	2.5
74.23633	2.4
75.65696	2.2
85.02969	8.0
86.67872	2.1
91.05522	3.4
93.03461	27.5
94.67032	2.4
96.96017	12.4
98.95589	2.1
101.02457	2.0
111.04520	6.4
134.03734	12.8
135.04558	6.2
137.02437	4.4
147.04515	15.0
161.02460	2.7
164.07162	44.8
173.04564	100.0
174.04837	4.0
179.03551	5.2
191.05618	20.3
193.05116	13.0
197.61440	2.2
206.08243	76.2
351.54074	2.3
367.10333	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	619.2564
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98840	0.5
64.09280	0.6
64.89085	0.5
69.67895	0.5
70.79830	1.6
79.65726	0.5
80.19979	0.5
105.23402	0.6
152.99620	0.5
237.05708	0.6
347.15482	0.5
389.15298	0.9
401.14160	2.6
415.15637	3.4
416.16385	14.3
417.16779	1.3
429.17014	1.1
430.18195	2.8
431.18808	1.7
434.17691	1.1
444.16150	1.6
445.16107	0.8
458.17508	1.3
459.18283	100.0
460.18707	10.4
472.18964	0.7
473.19815	15.1
474.20642	5.3
475.21359	1.1
485.15900	1.4
487.17819	1.2
501.19446	2.0
503.17084	3.0
512.18530	0.9
517.19086	0.7
518.19611	44.0
519.19855	5.8
532.21204	7.7
533.21967	89.5
534.22327	8.5
544.21570	0.9
587.23035	5.6
588.23383	0.7
619.25616	69.7
620.26050	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	619.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76216	0.2
55.01871	0.4
57.03457	0.7
58.00604	0.6
59.01386	16.1
61.98836	2.1
70.51380	0.2
71.01391	13.7
71.58531	0.3
72.99321	1.2
73.02954	2.4
73.34713	0.2
74.99110	0.7
75.00890	0.6
78.95918	1.6
79.95750	3.0
82.95424	1.9
83.01396	1.3
83.05051	0.2
84.95148	0.3
85.02954	4.7
87.00884	1.9
88.98801	0.5
89.02453	9.4
93.03473	0.9
95.01406	1.1
96.96022	100.0
97.03004	0.3
98.95638	0.3
99.00893	0.8
101.02454	7.9
101.03111	0.5
109.02926	0.4
111.00910	0.3
113.02460	7.4
116.92957	0.3
119.03514	4.1
120.01281	0.4
121.02955	0.3
125.02469	1.1
128.03569	0.4
131.03499	1.0
134.03723	0.2
135.04552	0.8
135.98363	0.3
136.99178	0.4
137.02451	0.7
143.03500	1.1
149.02489	0.3
149.04547	0.4
150.82397	0.3
153.02010	0.4
161.02469	0.6
161.04607	3.1
165.05544	0.3
170.69560	0.3
173.04549	1.0
175.03900	0.4
179.03558	0.6
179.05609	2.3
190.02762	0.7
191.05652	1.4
203.05600	0.3
205.05090	0.7
205.10252	0.3
221.06662	1.3
236.03127	0.7
251.05638	0.7
255.06662	0.3
329.06729	0.3
379.21411	0.6
397.22250	1.9
415.23541	0.3
541.26550	0.3
559.27600	5.9
560.27991	0.4
577.28680	5.4
578.28735	0.5
619.17151	0.5
619.27985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.14590	0.6
59.01384	14.4
60.01706	0.6
61.98838	6.2
67.01878	0.5
69.33575	3.8
69.34001	1.3
71.01390	10.1
73.02946	2.1
73.53065	0.6
75.00892	0.6
80.86350	0.5
82.95417	2.4
83.01393	1.6
85.02955	3.4
87.00861	0.7
89.02457	8.1
90.02804	0.6
93.03459	2.2
95.01414	1.0
96.96019	9.5
99.00871	0.7
101.02451	6.6
102.57700	0.6
109.02863	0.7
113.02454	4.8
116.05074	25.0
117.03478	8.4
119.03505	2.7
119.05059	0.9
121.03015	0.8
123.04559	0.7
131.03522	0.7
135.04529	2.5
137.02448	2.5
143.03549	1.3
149.02437	1.1
151.03973	0.7
159.04561	0.7
161.02452	2.8
161.04581	2.0
163.04019	0.9
173.02406	1.1
173.04500	1.8
175.03999	6.1
177.01970	2.4
177.05743	0.7
179.03453	1.2
179.05673	1.5
183.04584	0.6
185.02449	1.3
188.65149	0.7
191.03525	1.2
191.05661	1.9
193.05121	0.7
201.01961	1.1
203.03502	2.6
204.04266	0.6
205.01451	2.3
205.05013	0.9
221.04489	1.0
233.04581	1.3
237.05563	0.8
251.07091	1.0
267.06619	1.0
279.06638	1.3
281.04547	2.3
282.05319	2.4
283.06143	3.6
293.04541	2.3
294.05515	2.9
295.06122	11.0
296.06628	1.5
297.07678	4.5
306.08173	0.6
307.06216	2.9
309.07660	1.1
311.05527	3.5
323.05618	26.9
324.05933	1.7
325.07230	2.4
326.04568	0.8
328.05792	1.8
329.13992	1.8
335.05664	2.6
337.07196	2.0
341.06729	1.4
353.06686	18.8
354.06958	1.0
365.06586	5.9
383.07727	11.3
384.08130	1.2
395.07892	2.8
408.08862	0.8
413.08777	5.8
438.09799	3.3
440.11246	3.8
443.10266	1.1
452.11450	1.4
464.11356	4.2
473.10919	3.9
482.12589	2.2
494.12595	1.8
500.13550	13.2
501.14249	1.1
503.12054	2.5
530.14819	3.6
560.28204	0.7
578.29034	0.8
602.16766	2.9
620.17755	100.0
621.18250	11.7
640.62219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66209	0.5
53.22162	0.5
53.73552	0.6
57.03456	0.7
58.31365	0.6
59.01389	19.2
60.01728	0.9
61.98845	5.1
71.01394	12.8
72.01750	0.7
72.99312	1.3
73.02966	3.5
79.95775	0.7
82.59377	0.6
82.95432	2.7
83.01388	1.8
84.74183	0.6
85.02966	5.0
87.00861	1.1
88.98785	1.2
89.02454	9.8
93.03461	2.4
95.01384	1.2
96.96030	10.1
98.02472	0.9
100.51406	0.6
101.02455	7.9
102.02843	0.6
109.02982	0.8
113.02461	8.3
116.05080	23.7
117.03487	7.3
117.05391	0.6
117.89597	0.7
119.03513	4.7
119.05039	0.9
121.02971	0.8
128.92163	0.6
131.03471	1.3
133.03038	0.8
133.68037	0.6
134.03802	0.8
135.04547	2.0
136.01625	0.7
137.02475	2.3
137.73662	0.6
143.03487	1.9
145.03004	0.6
147.04619	1.0
149.02457	2.0
149.04541	0.8
159.04535	0.9
161.02469	2.9
161.04556	1.9
163.04050	0.9
168.04594	0.7
173.02322	1.0
173.04549	1.3
175.04019	5.5
176.35405	0.6
177.01936	2.9
177.05516	0.8
179.03490	1.1
179.05617	2.4
179.07077	0.7
185.02461	0.7
191.03564	1.5
191.05624	2.7
196.02475	0.9
203.03503	2.8
205.01402	2.6
205.05278	0.7
221.04570	0.9
232.06499	1.0
235.02423	1.0
243.01752	0.6
249.05482	0.7
250.70346	0.6
258.09357	0.7
267.06595	1.3
269.04626	0.8
274.08688	0.9
275.86169	0.7
280.03281	0.7
281.04550	2.6
282.05316	1.3
283.06186	4.0
293.04520	1.5
294.05301	1.4
295.06168	10.7
296.06818	2.4
297.07675	4.3
307.06097	1.8
309.07642	1.3
311.05637	4.5
323.05652	26.5
324.05869	1.6
325.07117	2.0
328.05676	0.9
329.13861	2.5
335.05762	0.9
337.07275	2.0
341.06659	1.4
353.06659	14.8
353.09946	0.7
354.06870	1.3
355.07904	1.0
365.06616	5.6
383.07751	11.4
384.07880	0.9
395.07648	4.2
413.08829	4.5
414.08624	0.7
425.08746	0.7
438.09982	3.6
440.11417	4.2
443.09988	0.9
452.11554	1.8
464.11469	3.1
473.10986	4.2
482.12341	2.7
494.12564	1.3
500.13510	11.4
501.13727	1.0
503.12030	3.0
530.14496	4.3
531.14960	1.0
560.15100	0.9
560.28259	1.5
577.28925	1.1
578.29150	1.2
584.15912	0.7
602.16779	1.7
620.17773	100.0
621.18091	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	621.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
61.98827	1.7
67.37292	0.7
70.70415	0.9
71.01382	2.7
82.95396	1.1
85.02974	1.9
87.00873	1.6
88.98829	1.6
89.02454	2.3
89.94378	0.7
95.01367	0.9
98.19897	2.2
101.02436	2.0
109.02977	1.8
111.00861	1.1
121.02920	1.6
123.00894	2.5
125.02552	0.8
127.70477	0.8
135.04512	0.8
137.02457	10.5
139.03979	0.9
149.02403	1.9
151.00378	19.7
151.03999	1.8
152.01129	1.5
152.04802	2.3
153.01843	1.0
161.02557	1.3
163.04057	1.4
164.04874	1.1
165.01970	1.4
166.02730	62.0
167.03348	4.1
173.04527	1.1
175.04008	2.3
177.01889	2.2
179.03584	0.9
181.05086	73.8
182.05397	2.1
190.02762	1.6
190.06326	1.8
191.03510	1.4
191.05670	1.2
192.04189	1.3
193.05064	0.9
205.05122	2.6
205.08710	2.0
207.06699	1.1
211.13437	1.5
223.06198	1.0
253.07129	1.6
267.07260	1.3
301.07022	0.9
329.10272	1.0
353.10349	1.2
359.11417	1.8
387.10886	13.5
402.13211	7.4
417.15576	100.0
418.15881	8.2
420.42575	0.8
424.41116	1.0
471.51181	0.8
488.96140	0.9
517.30426	1.1
621.18488	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	621.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	2.0
59.01386	100.0
69.25753	7.4
69.26187	6.6
71.01395	38.8
72.99321	2.6
73.02972	10.5
83.01378	3.0
85.02955	11.3
87.00906	3.0
89.02451	45.6
93.03465	3.0
95.01418	2.4
96.96004	6.6
97.44212	1.6
101.02465	22.5
111.00820	1.7
113.02461	24.9
115.19550	1.5
118.98095	3.4
119.03509	15.3
125.02512	1.8
131.03418	2.0
133.02927	1.6
137.02451	2.4
143.03540	3.1
149.04616	3.0
158.51361	1.8
161.04588	8.1
173.04596	2.0
175.04025	1.4
179.05684	9.1
191.05650	6.1
193.05331	1.6
357.04459	3.7
387.09082	10.8
517.26556	41.5
518.27014	5.5
519.48096	1.7
535.27631	24.2
536.28015	4.3
577.28918	6.2
621.22205	4.7
647.16394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38947	1.2
55.01885	2.3
57.03451	4.0
58.00584	1.9
59.01387	97.6
61.82916	1.2
61.98838	15.7
62.87118	1.2
65.03977	1.4
65.92751	1.3
69.03455	2.5
70.23341	4.3
71.01390	34.5
72.99322	2.6
73.02952	10.2
74.99133	2.5
75.00884	1.8
78.95915	2.5
79.20490	1.2
79.95734	2.4
81.60010	1.5
82.95422	1.9
83.01397	5.1
83.05029	2.3
85.02952	16.9
87.00879	7.4
88.98862	1.6
89.02453	12.1
93.03458	5.2
95.01381	4.0
96.96023	100.0
96.96980	3.3
97.02988	2.5
97.81681	1.3
98.95609	7.1
98.96449	1.8
99.00874	3.6
101.02454	21.3
108.02136	2.4
109.02940	1.8
111.00891	3.7
113.02468	11.9
115.92078	1.6
117.03432	1.3
119.03504	3.5
119.05045	3.8
121.02934	2.8
125.02446	3.6
129.01956	1.7
133.02884	1.5
134.03729	3.0
135.04518	5.3
135.08168	1.4
137.02487	2.5
141.09215	1.4
143.03522	4.2
145.02959	2.4
149.02290	1.3
149.06007	1.5
153.05106	1.5
159.03032	1.4
161.02483	2.3
161.04549	3.0
163.03957	4.2
173.04613	3.3
175.04021	3.1
179.03511	3.1
179.05589	1.9
179.07286	1.7
181.12344	3.2
188.12175	1.6
190.02734	4.0
191.05687	6.8
193.05142	2.0
201.11368	1.7
201.14969	7.6
205.05128	2.4
223.06226	1.9
258.33154	1.4
287.09830	1.4
345.19238	44.5
346.19397	3.2
363.13257	1.6
363.20276	32.7
364.20483	2.0
377.21735	1.8
387.20352	10.5
405.21240	20.4
406.21750	1.5
425.36346	1.6
433.50317	1.7
499.29059	1.9
517.29974	5.7
540.16895	1.5
542.15668	1.5
561.28973	3.7
577.31915	2.2
579.30652	1.8
621.33942	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	622.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14594	1.1
59.01109	1.9
59.01387	29.5
61.96808	1.0
61.98536	1.4
61.98837	17.8
63.24818	0.9
64.37602	1.2
71.01380	7.7
71.56842	1.5
72.00912	1.3
73.02946	3.8
74.02481	100.0
78.95913	1.4
79.95781	1.2
80.96503	3.2
83.01395	1.6
85.02946	4.7
86.02489	1.6
89.02462	2.5
91.01923	1.1
93.03457	2.2
96.95984	3.0
101.02467	8.0
108.02156	1.7
113.02464	2.2
121.02949	1.3
137.02446	1.3
152.01117	1.2
153.01714	1.2
161.04585	1.4
177.05569	1.2
184.73215	1.1
190.02774	1.7
191.05699	1.2
205.05098	1.4
207.10201	1.4
211.98357	1.3
225.11368	1.2
234.58968	1.2
245.23425	1.2
410.38712	1.5
441.70874	1.2
461.31088	3.2
482.31021	2.4
500.32266	3.0
542.33551	11.0
577.19727	2.6
578.35498	65.2
579.35852	8.4
622.30408	2.2
623.25623	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23065	0.7
52.30915	0.8
53.02370	0.7
59.01381	1.8
71.01373	2.6
85.02959	1.8
87.47457	0.7
89.02460	1.4
93.03448	1.5
96.96027	2.5
98.19865	1.7
108.02185	11.4
109.02970	5.8
111.00931	2.1
113.02424	1.0
117.03464	2.8
119.05024	2.7
121.02955	1.1
133.02974	2.4
134.03717	1.5
135.04520	2.1
137.02455	1.4
145.02972	15.2
149.02451	1.2
150.03116	1.0
152.01157	13.4
153.01961	4.9
153.27068	0.8
161.02347	1.0
161.09592	0.8
163.03998	2.7
173.00890	0.9
173.04529	1.7
175.04073	1.5
176.04668	0.8
177.01939	2.5
179.03532	1.0
189.01677	0.8
189.54033	0.8
191.05605	3.5
254.96291	0.8
269.04504	1.6
283.06201	1.9
297.04080	2.4
298.04773	4.2
299.05585	1.5
307.08344	1.1
310.04932	0.8
311.05637	13.0
312.06400	35.5
313.06885	2.7
315.07440	3.6
323.05475	2.1
324.06296	1.2
326.07968	0.9
327.05011	1.3
327.08670	1.2
339.05154	2.1
341.06583	5.2
344.05432	3.3
351.05130	1.4
353.06610	1.4
355.08212	3.2
358.07141	1.0
368.05371	1.5
371.07404	0.9
383.07721	28.2
384.07996	2.2
395.07730	2.6
396.32361	0.8
413.08780	14.6
425.08804	2.1
443.10037	1.0
461.10953	11.1
503.12015	17.5
503.18933	0.6
504.12173	1.9
533.13184	2.7
563.12250	0.9
605.14044	1.0
623.16199	100.0
624.16541	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	623.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.9
64.65388	0.5
67.01884	0.7
71.01389	1.4
74.77684	0.5
85.02948	1.8
85.83397	0.5
87.00877	2.7
89.02467	1.2
93.03436	1.2
96.95996	2.9
98.20667	0.9
100.58687	0.5
101.02480	0.6
108.02159	1.0
109.02950	1.5
111.00889	3.7
119.04976	0.6
121.02901	0.6
134.03772	0.7
135.04573	0.9
137.02452	0.9
145.02982	0.9
149.02499	0.9
152.01147	1.5
153.01924	1.9
161.02463	0.7
163.04001	1.0
164.04793	0.6
173.00911	1.3
173.04535	1.5
176.26520	0.5
177.01949	0.8
178.99841	0.8
179.03552	1.2
191.03735	0.7
191.05609	2.9
207.10222	0.7
217.90985	0.5
225.40263	0.5
227.03467	0.8
255.03055	1.4
256.03812	1.1
268.03815	1.9
269.04568	17.3
270.05099	1.2
281.04721	0.9
283.02621	0.9
283.06073	2.0
284.03336	6.3
285.03906	1.2
290.12805	0.5
295.02582	0.6
296.03397	1.7
297.04065	13.2
298.04849	14.8
299.05618	3.4
309.03964	1.6
311.05545	5.1
312.02744	16.6
312.06393	7.5
313.03406	2.9
313.07147	3.9
313.10394	0.6
323.05518	1.0
325.03568	5.9
326.04282	3.5
327.05118	23.2
328.05469	1.3
339.05283	1.3
340.05832	0.8
341.06650	24.2
342.07104	1.7
344.05591	0.7
355.04556	2.0
367.04608	0.6
369.06149	0.7
371.07700	2.3
383.07343	0.7
409.12070	0.5
445.07803	3.6
460.10037	0.6
461.11084	4.9
475.08951	1.4
492.00818	0.6
496.94543	0.5
503.12109	2.7
608.13861	1.3
623.16211	100.0
624.16498	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	623.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88543	0.8
57.03453	1.1
58.00592	3.5
59.01387	72.4
63.87083	0.9
67.01868	0.9
68.79407	1.0
69.52864	5.5
71.01393	33.1
72.99319	4.7
73.02940	2.4
74.02480	1.3
82.86073	0.9
83.01388	3.4
85.02974	8.4
87.00854	2.4
88.98832	1.6
89.02459	27.8
93.03470	4.0
95.01397	1.9
96.96030	7.3
99.00913	1.0
101.02460	18.9
108.02199	1.4
109.02975	2.5
111.00912	4.9
113.02453	10.9
114.84544	1.0
116.68954	0.9
119.03523	12.7
120.99653	4.0
121.03119	1.0
122.03738	1.1
131.03479	1.2
132.02136	1.2
133.02948	3.2
134.03743	1.0
135.04549	1.9
137.02464	5.2
143.03578	1.3
149.02464	0.8
150.03325	0.9
153.01947	1.5
160.01686	1.1
161.02499	2.5
161.04579	1.0
163.03981	1.2
168.14824	1.0
173.00949	1.7
173.04524	1.5
175.00342	2.2
175.03996	1.4
177.05650	1.2
179.03465	2.7
179.05731	1.9
181.05016	0.9
190.02718	1.1
191.05606	4.4
193.05110	1.0
195.06731	1.2
207.10304	1.0
221.04527	1.2
225.11258	2.8
251.03502	2.4
253.05066	1.1
261.79138	1.0
280.03802	10.2
284.03387	3.0
294.05148	1.0
297.04132	4.9
298.04880	8.5
299.05719	5.1
306.07669	1.5
307.02603	6.2
308.03299	44.7
309.03967	7.0
310.04721	1.6
311.05457	2.9
312.06323	1.7
323.05652	72.0
324.05859	3.6
325.07294	1.4
338.04248	1.9
339.05243	1.3
341.06732	7.8
342.07297	1.2
344.05521	1.7
350.04108	1.5
353.06659	4.9
365.06760	2.8
371.07745	4.9
383.07748	2.9
389.16052	0.9
428.07541	2.6
443.09872	78.4
444.10260	5.0
461.10422	2.2
503.12332	4.6
621.65131	1.0
623.16180	100.0
624.16418	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	623.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75188	0.3
59.01387	2.1
61.98835	0.8
67.01868	0.3
69.56992	1.8
71.01385	2.4
73.02946	0.4
78.66226	0.3
81.03472	0.6
82.95418	0.4
83.01412	0.4
83.05040	0.4
85.02966	1.6
87.00906	0.5
88.98827	1.8
89.02454	1.0
93.03470	0.9
96.03257	0.3
96.96033	0.9
99.00887	0.3
101.02480	0.9
105.62596	0.3
108.02174	0.4
109.02936	0.7
109.06604	0.9
111.00893	0.6
111.04572	0.4
113.02460	0.7
119.05058	0.8
121.02975	0.6
123.04550	0.4
124.01723	0.3
125.02482	0.5
134.03764	0.4
135.04550	1.0
136.01730	0.5
137.02460	4.1
138.03188	0.4
139.00386	0.7
139.04051	0.6
145.02979	1.9
147.04570	1.9
150.03165	0.3
151.00407	0.6
151.04022	4.0
152.01170	0.5
152.04752	0.8
153.01939	0.9
153.05592	0.4
158.03725	0.6
161.02472	0.7
161.04668	0.4
161.06035	0.8
162.03252	0.5
163.04025	4.3
163.11316	0.8
165.01944	0.8
165.05563	0.3
166.02736	1.1
166.06387	0.7
167.03465	0.9
167.07275	0.5
171.63000	0.3
173.02446	0.7
173.04506	0.8
173.05986	0.5
174.03214	2.4
175.04016	15.1
176.04785	4.1
177.05620	1.7
179.03465	1.8
179.07144	0.4
180.04320	7.2
181.04996	1.6
188.04825	2.8
189.05592	6.1
190.06366	18.9
191.05600	1.6
191.07147	12.8
192.04277	0.8
192.07574	0.6
193.05086	8.4
194.05859	6.7
195.06332	0.3
203.07146	2.1
204.51007	0.3
205.08720	14.7
206.05850	0.7
206.09082	0.6
207.06680	6.2
207.10291	2.9
208.07423	11.8
208.10478	0.5
209.07860	0.7
222.09030	2.1
223.06145	0.4
223.09804	0.7
225.11406	2.3
227.03506	0.4
255.03056	0.5
271.02487	1.2
299.02005	1.0
300.02756	1.1
312.02145	0.3
314.04370	1.0
315.05130	2.8
329.10443	0.4
346.02350	0.3
349.94394	0.3
359.11432	0.9
374.13837	2.1
389.16098	100.0
390.16449	6.3
397.13522	1.0
415.14685	0.5
419.17230	2.9
562.99335	0.4
623.16705	2.7
623.25635	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	623.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30226	1.9
55.01879	2.9
57.03461	5.2
57.62143	2.3
59.01385	87.4
60.99317	7.9
61.28000	2.1
61.98837	52.2
69.35333	7.0
69.35754	10.6
71.01395	39.0
71.05028	3.2
72.99300	3.8
73.02953	14.7
74.02466	3.0
74.99114	2.5
75.00883	4.8
75.97926	2.8
76.63017	1.9
79.95750	5.4
80.19714	2.1
80.96533	3.0
82.95439	4.0
83.01389	7.0
84.95111	3.2
85.02954	27.4
87.00881	10.5
87.04505	2.5
88.98815	38.9
89.02467	14.5
93.03468	22.1
95.01414	4.0
96.96024	31.4
97.02946	2.5
97.06590	3.7
98.95607	8.2
98.96464	2.0
99.00891	5.8
101.02442	24.6
108.02184	2.5
109.02967	3.9
109.06593	3.6
111.00893	4.0
111.04548	3.6
113.02465	14.8
117.03455	2.5
119.03522	3.4
119.05049	4.5
120.01240	6.2
120.99673	100.0
121.02959	7.1
123.04542	4.9
125.02455	6.3
129.01907	2.7
131.24008	2.8
133.02977	6.6
134.03746	10.1
135.04559	17.1
136.01622	2.3
137.02467	35.8
139.00403	3.5
143.03569	3.6
145.02968	4.5
149.02423	6.1
149.06105	2.8
151.04024	4.2
152.01163	4.8
160.01688	5.3
161.02533	12.3
161.04594	7.4
161.05975	3.3
163.04039	5.6
163.11288	3.1
164.04773	6.8
165.05589	2.7
167.03514	3.3
171.13908	2.8
173.04562	13.5
175.00330	3.3
175.03976	5.1
177.05579	2.4
179.03516	9.9
179.07120	2.8
181.05092	5.4
190.02803	7.8
191.01909	5.6
191.05641	21.8
193.05125	7.2
195.06664	3.6
201.15094	3.8
203.12985	3.3
204.54353	2.5
205.05074	11.5
207.10312	11.8
223.06215	6.4
225.11339	6.6
227.07127	2.8
241.04968	3.8
242.05922	8.1
246.01817	2.9
257.08182	8.3
265.07144	3.7
274.21469	2.0
281.06729	7.5
285.09753	3.5
287.22357	3.4
299.05463	3.5
309.04099	2.7
327.05078	5.9
341.10516	4.6
345.19247	25.6
355.10086	3.0
363.20218	18.0
387.20313	3.9
401.15909	3.4
405.21460	3.5
419.16818	5.4
429.86075	2.8
443.11288	2.5
447.09488	2.8
449.27502	11.7
461.18192	6.7
519.32147	18.3
537.32990	4.3
539.15430	2.8
563.30792	6.0
579.32892	3.6
581.31525	3.5
623.16431	23.5
623.25616	7.2
623.34692	18.5
624.35931	3.0
633.03113	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	625.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62720	2.7
51.91351	2.8
52.77420	2.5
57.19446	2.9
57.74929	2.8
58.00605	4.7
59.01389	56.6
59.35199	2.7
61.98837	4.8
68.99826	7.0
69.49920	21.1
71.01390	49.3
72.97552	24.5
72.99301	9.8
73.02951	10.5
74.02492	7.4
75.00895	2.9
83.01396	6.3
85.02954	22.2
87.00886	16.3
89.02454	43.1
93.03472	7.5
95.01392	4.9
96.96020	11.2
99.00885	19.9
100.01675	61.0
101.02448	25.1
108.02203	6.6
109.02959	9.5
111.00906	16.8
112.98851	7.7
113.02460	14.5
115.62726	3.1
116.03572	8.9
116.92839	3.7
117.02010	3.6
119.03505	14.0
121.02970	7.0
123.00900	11.8
124.01653	4.7
125.02442	10.2
129.01895	3.1
130.02722	21.4
131.03484	10.1
134.03764	4.3
134.97586	8.3
135.04544	10.2
137.02441	11.9
138.03236	17.5
138.05466	3.5
139.04022	4.1
142.99873	4.6
143.72073	2.9
145.02895	5.7
148.58850	3.6
149.02458	8.9
149.04561	11.1
150.03247	4.3
151.00386	4.3
151.04060	5.4
152.01167	6.1
152.83856	3.2
153.01961	13.4
153.05569	18.5
161.02469	11.6
161.04622	3.6
162.03249	8.2
163.03995	7.3
164.04817	13.6
165.01962	9.8
165.05589	7.0
166.02721	12.7
167.03561	4.3
168.04338	9.2
173.00922	5.5
173.04581	11.4
174.01756	3.2
175.00356	7.4
175.04005	14.8
176.01094	10.9
176.04707	6.4
177.01974	14.9
177.05551	5.2
178.02643	4.8
178.06285	7.0
179.03566	21.3
179.05780	6.6
179.07127	23.6
180.04262	3.8
181.05092	9.0
189.05586	4.0
189.31618	3.0
190.02762	6.4
191.03539	16.7
191.05630	21.2
191.07133	6.7
192.04327	15.9
193.01439	12.4
193.05049	12.9
193.08717	6.3
194.05821	10.5
195.06676	4.3
205.05066	8.5
207.06621	21.6
208.03839	26.1
209.04469	11.4
209.08199	11.1
209.11909	7.9
223.06137	54.4
225.07672	4.3
227.12999	8.0
235.06030	8.0
237.07646	3.3
249.07726	5.2
251.05545	4.4
263.05591	8.7
264.06451	4.8
266.07968	19.9
277.07291	12.1
278.07712	4.1
296.09033	5.9
337.09262	15.6
350.60538	3.1
383.95377	3.7
400.10107	100.0
401.10898	9.5
405.12122	4.1
455.66144	3.6
466.75211	3.6
493.22580	8.1
561.16589	19.6
562.17474	3.5
593.15466	6.9
607.16724	63.2
608.17059	9.0
625.17566	83.0
625.27325	37.0
626.17786	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	625.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.0
61.98830	2.0
66.94334	0.5
69.78593	3.3
71.01379	4.4
72.97532	1.9
73.02964	1.1
75.00856	0.7
83.01394	0.6
85.02954	3.5
87.00891	0.8
88.04041	0.8
88.98823	4.6
89.02460	2.3
93.03458	3.0
96.96024	2.3
98.19939	0.8
99.00871	1.1
101.02438	2.3
108.02184	0.7
109.03000	0.8
113.02469	1.1
117.16085	0.5
118.98146	0.6
119.03505	1.2
125.02465	0.7
129.01929	0.7
133.02983	0.9
134.03751	0.9
135.04550	3.1
137.02452	2.7
137.85753	0.5
149.02403	0.7
149.04691	0.7
149.06021	0.6
150.03186	0.8
159.49126	0.5
160.01685	0.9
161.02469	1.0
161.04539	0.7
164.04782	0.8
165.05501	0.6
173.04552	3.6
175.00525	0.6
179.03445	2.0
179.05699	0.5
190.02742	1.7
191.05618	3.0
193.05057	0.7
195.06688	0.7
205.05115	1.2
207.06714	0.6
209.11803	1.3
223.06012	0.7
226.02843	1.2
242.05779	0.5
270.01758	4.9
281.04456	1.1
282.05313	1.9
284.03122	0.9
285.04059	23.2
286.04446	1.1
299.05585	1.2
309.04147	1.5
313.03564	37.2
314.03882	1.6
326.04388	0.6
327.05075	3.1
328.05902	46.9
329.06149	4.1
341.06512	1.8
359.69080	0.5
371.07556	0.7
388.07712	0.6
391.16550	0.6
397.13641	0.8
401.12897	0.6
403.10355	100.0
404.10684	7.3
511.18253	0.9
515.54852	0.6
518.80994	0.6
625.25555	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	625.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
58.00589	0.8
59.01388	20.0
69.25060	4.3
69.25470	0.9
71.01011	0.7
71.01393	13.3
72.99316	1.5
73.02943	2.5
75.00873	0.9
80.02682	1.2
81.03454	1.6
83.01387	1.9
83.05034	5.3
84.02173	0.9
85.02967	4.7
87.00880	3.5
88.98892	0.6
89.02455	14.1
93.03469	2.7
95.01395	0.9
96.96014	1.2
97.02951	1.8
98.20654	1.0
99.00902	1.5
101.01797	1.0
101.02457	13.2
109.06606	0.8
111.00903	1.3
111.04523	0.7
113.02466	5.2
118.82217	0.6
119.03527	5.5
121.02944	0.7
125.02480	5.4
130.56749	0.6
131.03532	1.2
133.02997	0.6
134.03810	0.7
135.04512	2.0
135.41628	0.6
136.77290	0.6
137.02480	3.3
143.03510	2.4
149.02475	0.7
153.38934	0.6
161.02473	1.0
161.04575	2.8
163.11327	5.3
165.05704	0.7
165.12865	2.6
167.03442	0.8
173.04562	1.7
175.04033	0.8
179.03484	1.6
179.05608	3.0
181.12340	0.8
191.05643	2.6
191.10806	1.3
193.05002	0.6
209.11853	100.0
210.12202	4.2
227.07133	0.8
227.12926	17.9
228.13275	0.7
235.08273	5.7
253.09235	1.7
255.10568	0.6
303.18018	0.6
305.08820	1.1
397.13550	31.6
398.14084	1.3
415.14630	20.4
416.14853	1.1
421.18808	1.5
557.12500	0.7
562.01074	0.7
565.22107	0.9
625.15131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01334	0.6
55.37475	0.6
56.61462	0.6
59.01386	4.3
61.98852	3.2
71.01387	2.9
74.02486	1.5
75.00872	0.9
83.01395	0.9
85.02970	1.7
87.00875	1.0
88.98830	1.3
89.02464	1.6
93.03477	2.9
96.96011	2.6
101.02469	1.9
108.02168	0.8
109.02956	4.3
109.13776	0.6
113.02493	0.7
116.03564	1.6
120.99654	1.1
121.02971	1.8
123.04514	0.6
125.02415	0.8
133.02971	12.0
134.03755	1.0
135.04552	16.7
137.02473	3.3
146.78471	0.6
147.04521	1.3
149.02478	1.1
150.03267	0.8
159.04596	1.6
161.02393	1.2
161.04633	1.2
163.00473	0.8
163.04030	1.8
165.01929	2.3
165.05504	0.9
167.03543	0.8
173.04552	2.4
175.04047	3.6
177.01967	1.1
179.03523	1.2
181.05089	0.9
185.55870	0.6
187.04082	1.2
189.05608	1.6
191.03554	1.8
191.05632	3.9
195.06659	1.1
199.04024	1.6
201.02000	1.1
206.12039	0.6
209.11905	1.4
210.12234	1.2
213.05626	1.1
219.02982	0.7
225.05583	1.1
227.03287	0.9
242.95958	0.7
255.06747	0.8
281.04581	1.1
284.03510	0.9
285.04135	5.0
295.06137	1.4
297.04086	9.2
298.04852	5.7
299.05652	21.3
300.06232	1.0
309.04095	1.2
311.05557	5.5
323.05621	6.3
324.06390	2.0
325.03824	1.4
325.07275	4.1
327.05124	63.9
328.05554	3.2
330.03711	1.3
339.05273	5.0
341.06754	0.9
353.06677	19.7
354.06900	1.2
357.01755	1.4
357.06180	27.0
358.06473	1.7
365.06653	2.3
369.06232	2.0
383.07724	9.5
429.08398	2.3
447.09363	100.0
448.09698	9.8
455.10056	0.9
463.10529	0.9
473.10980	18.4
474.11496	1.6
507.09518	2.6
567.10706	1.2
627.13934	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56232	1.0
59.01385	5.8
60.76743	1.0
62.28571	1.0
71.01395	10.4
71.56291	1.3
73.02939	5.1
75.00869	1.7
80.69273	1.2
81.03436	1.5
83.01385	1.7
85.02961	4.7
87.00891	15.9
89.02437	2.3
93.03472	3.7
96.96002	5.1
97.02949	1.7
99.00890	4.8
100.01669	3.0
101.02446	3.9
108.02205	1.5
109.02955	4.4
111.00210	1.5
111.00891	10.2
112.98827	4.6
113.02451	1.7
114.59489	1.1
121.02966	2.4
123.00887	7.6
123.04555	1.5
125.02472	1.3
127.04030	1.8
129.01918	2.0
131.03551	1.5
133.02954	1.2
135.04526	6.1
136.01657	1.5
137.02473	16.3
138.03151	1.1
142.99860	4.1
147.04530	1.2
149.02472	3.1
151.00427	1.8
151.03986	3.3
152.01224	1.2
153.05624	1.5
161.02426	5.1
163.04013	4.1
164.01091	1.6
164.04785	4.3
165.01944	100.0
166.02745	6.6
173.00964	7.3
173.04532	4.7
174.01753	5.4
175.04013	3.4
176.04787	4.1
177.01921	2.4
177.05534	1.6
178.06351	2.6
179.03514	22.1
179.07143	6.0
180.04297	68.3
181.05066	9.8
190.02773	2.7
191.03513	4.3
191.05617	6.6
191.07133	2.0
193.05013	1.3
193.08731	3.1
194.05879	9.3
195.02983	3.4
195.06642	94.7
196.06929	2.6
202.02823	1.2
203.03513	2.0
204.04294	1.7
205.05016	3.2
206.05885	4.7
207.06522	1.2
209.08203	4.7
210.05373	17.1
211.06084	2.0
219.02971	2.0
219.06598	1.3
221.08200	2.7
225.07710	64.8
226.08090	2.9
229.01540	1.5
233.04532	1.3
234.05310	2.4
238.94186	1.1
246.35291	1.2
247.02519	3.7
247.06145	1.1
249.03925	1.5
249.07776	4.3
261.04077	2.3
261.07571	1.3
262.04788	7.1
263.05771	1.2
264.06271	3.4
265.07251	6.1
276.06363	3.0
277.07150	11.8
281.06799	1.8
295.08276	2.5
337.09323	39.6
338.09711	2.9
357.13339	1.9
383.10052	1.0
422.97333	1.4
491.15680	19.5
492.16165	2.2
503.15701	3.9
521.16766	4.3
551.17767	1.9
563.17969	3.8
609.18231	11.8
610.18768	1.6
627.19336	75.7
628.19647	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	627.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.8
61.61447	1.3
61.98830	4.8
71.01385	6.2
71.55875	1.5
72.99310	2.8
73.02962	2.6
74.99088	3.3
75.00889	4.9
81.03471	1.7
83.01389	3.5
85.02965	7.0
87.00884	15.6
88.98799	1.6
89.02450	4.2
91.01932	1.6
93.03471	7.5
95.17503	1.4
96.96027	12.1
99.00887	4.1
100.01650	3.5
101.02464	4.4
107.04985	1.4
108.02199	4.4
109.02958	10.2
111.00899	21.5
113.02446	3.1
117.97300	1.4
117.98574	1.6
125.02468	3.5
127.04021	2.7
129.01936	2.5
131.03528	2.1
133.02971	6.5
134.53288	1.3
135.00906	7.4
135.04526	6.5
135.98358	3.5
136.01672	1.9
136.99135	4.9
137.02469	20.3
142.99802	1.6
147.02998	3.1
147.54828	1.5
149.02454	5.4
150.03221	4.9
151.04008	3.8
152.01175	3.3
153.01955	9.2
155.03340	1.7
161.02419	4.8
163.03989	3.7
164.04822	8.8
165.01944	100.0
165.05699	3.3
166.02644	7.0
167.03578	2.3
173.00966	2.8
173.04564	6.2
174.34912	1.6
175.04068	1.9
176.04735	2.5
177.01967	2.4
179.03522	21.5
179.07095	11.3
180.04312	70.5
181.05061	10.1
190.02731	1.8
191.02002	3.7
191.03622	2.6
191.05545	11.4
191.06987	1.6
193.05106	3.3
194.05846	8.9
195.02953	2.7
195.06638	82.0
196.06960	3.6
203.03384	1.7
205.05032	3.3
206.05791	1.8
209.08202	8.4
210.05353	16.6
211.06075	3.5
217.90335	1.4
225.07706	48.9
226.07994	3.1
233.04666	1.9
248.58957	1.5
249.03979	2.0
249.07686	6.4
261.07654	1.9
264.06360	7.5
265.07187	9.0
279.08865	2.0
281.06763	3.9
284.02994	1.8
293.05185	2.0
297.06522	3.0
297.11276	3.4
298.04800	1.9
299.05563	2.6
327.05170	23.6
337.09311	9.6
339.04965	2.1
345.13260	2.1
353.06323	1.5
357.06100	8.0
400.10205	1.7
405.12006	6.0
447.09183	29.1
447.14471	1.9
448.09485	2.2
465.14447	3.4
491.15628	50.4
492.16479	3.0
501.25119	1.8
551.17712	3.3
581.45355	1.5
602.54553	1.6
609.18347	5.7
627.19360	86.6
628.19641	10.1
640.63837	1.4
653.49683	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	627.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
58.07361	1.1
59.01388	8.5
61.98811	1.8
65.05761	1.1
67.01879	1.2
70.25282	2.9
70.25678	2.1
71.01398	13.7
72.99308	3.6
73.02941	3.9
81.03448	1.8
83.01392	4.7
85.02959	6.7
87.00887	34.0
89.02451	4.5
93.03470	4.5
96.96020	23.9
97.02969	2.3
99.00892	4.7
100.01667	3.3
101.02451	7.1
107.05017	1.3
108.02185	1.5
109.02979	3.1
109.17567	1.1
111.00899	34.2
112.98837	2.2
113.02447	2.7
119.03506	1.4
119.05009	3.4
121.02941	2.9
123.00860	1.4
125.02534	2.1
127.04012	1.8
129.01945	2.9
131.03490	3.9
133.02982	2.3
135.04517	3.7
136.01659	2.1
137.02458	20.8
137.13560	1.2
145.02997	2.3
147.02983	2.3
147.04500	1.2
149.02438	4.0
151.00426	2.2
151.03946	1.9
153.01994	2.2
155.03542	1.4
161.02454	4.4
161.04521	1.7
163.04050	3.8
164.04831	10.1
165.01944	100.0
166.02672	7.2
167.03485	2.5
173.00954	3.8
173.04579	4.3
175.03841	1.1
176.04791	3.4
177.01883	2.8
179.03528	31.8
179.05730	2.0
179.07127	11.7
180.04300	69.2
181.05058	11.1
190.02846	1.5
191.01967	2.6
191.03651	2.4
191.05640	6.6
191.07172	2.2
192.04352	1.6
193.04994	2.7
193.08672	1.7
194.05869	12.7
195.02995	3.0
195.06644	74.3
196.06990	2.9
203.03490	1.3
205.05106	3.3
206.05801	1.3
207.06651	2.1
209.04646	1.8
209.08217	8.9
210.05362	15.3
211.06107	3.7
219.02972	2.8
219.06636	2.7
219.28690	1.4
220.03755	1.8
221.08200	1.5
225.07726	34.7
234.05357	3.2
239.05583	2.5
247.06148	2.0
249.04015	5.5
249.07793	6.6
261.87576	1.3
262.04843	1.4
263.05734	1.5
264.06418	9.9
265.07098	7.6
277.07172	1.6
279.08521	2.4
291.08658	2.2
309.03708	1.4
321.10101	1.8
337.09256	11.3
350.13489	1.3
357.09937	1.3
387.14630	2.5
429.14203	4.3
443.13300	6.7
447.12839	2.7
458.38107	1.3
465.14001	2.9
491.15649	65.2
492.15982	4.2
503.15527	1.7
517.17255	4.3
535.18408	3.1
547.17792	1.3
551.17792	3.3
561.15900	1.6
567.26648	7.7
609.18359	10.9
610.18811	1.4
612.68170	1.3
627.19391	85.2
628.19586	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	627.2104
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
56.12912	0.4
69.60452	2.6
73.02954	1.0
98.19890	0.7
109.38914	0.4
146.84270	0.6
160.60649	0.4
437.12476	1.3
438.13373	1.3
451.14072	1.0
452.14893	2.8
456.05759	0.5
465.16229	0.9
466.16669	0.7
469.11270	0.9
479.17847	0.6
480.14175	1.1
481.15018	7.7
482.15475	1.3
484.14230	0.9
493.15216	1.6
494.15820	1.1
495.16818	16.0
496.17325	2.5
498.15961	0.5
507.16983	0.8
508.18332	2.5
509.18219	1.8
512.13739	1.2
521.14789	1.1
522.15051	0.6
523.16565	0.6
523.19769	0.6
526.15021	0.7
533.18207	1.0
535.16174	1.4
536.16809	2.6
539.15747	0.9
540.17090	2.9
541.17401	0.6
551.19421	41.3
552.19788	6.9
554.18237	1.1
555.18512	1.3
567.18878	0.5
568.16309	0.5
572.15753	2.9
573.16211	0.5
586.16718	2.8
595.18402	8.7
596.18359	1.1
627.21014	100.0
628.21338	15.4
637.66443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.4
58.00595	5.6
59.01387	100.0
61.98820	5.5
71.01393	64.4
71.56960	2.7
72.99308	4.4
73.02941	3.3
79.24887	1.9
83.01407	3.1
85.02956	14.6
87.00880	5.3
88.98813	2.9
89.02457	81.2
89.03014	4.2
89.52781	1.6
93.03476	16.1
95.01395	5.5
96.96020	10.7
99.02124	1.7
99.04561	2.4
101.02455	27.4
102.98573	4.2
103.90131	1.7
108.02174	4.3
109.02967	2.0
111.45203	1.7
113.02466	25.6
119.03514	29.7
120.99660	2.4
125.02444	6.6
131.03523	2.0
135.04543	6.0
137.02458	23.3
138.02849	1.8
143.03497	6.2
149.02429	4.3
149.04651	2.3
150.03180	2.6
151.00360	2.1
161.02489	2.4
161.04556	7.6
164.04811	2.1
164.07201	2.0
165.05476	2.3
167.73843	2.0
173.04538	7.4
174.03276	2.2
175.03995	2.5
179.03450	3.5
179.05614	31.4
190.02737	3.7
191.05669	14.6
203.07120	2.9
205.05090	3.9
219.02956	2.0
223.06126	3.3
229.14389	4.0
265.07089	2.3
271.05887	1.7
281.06729	2.2
282.36124	1.8
293.08112	2.0
297.03836	1.8
297.08398	1.9
327.04947	8.5
357.06213	2.8
385.11496	2.1
409.12726	3.3
435.62021	2.0
447.09570	2.9
489.11072	8.8
507.09827	2.2
561.49896	2.4
627.16431	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	627.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98831	1.1
71.01375	0.6
71.55869	0.5
75.64856	0.4
78.95918	2.9
79.95741	5.3
80.96517	0.9
84.00984	0.3
85.02933	0.5
93.03455	1.6
93.65720	0.4
96.96021	100.0
96.96909	5.0
112.25952	0.4
133.42609	0.4
135.04486	0.4
137.02457	3.3
148.54057	0.4
191.05621	0.8
211.13535	0.6
213.88106	0.4
225.00909	0.7
291.04037	0.7
293.21335	0.7
335.03018	0.5
351.06201	0.9
365.92319	0.5
399.07758	0.4
405.47137	0.4
446.39554	0.4
497.16919	0.5
528.68445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.5
58.00591	3.4
59.01387	100.0
69.32581	12.6
71.01388	56.1
72.99318	4.2
83.01408	1.3
85.02969	9.6
87.00886	4.3
89.02453	81.3
95.01393	3.6
96.96029	11.0
98.19917	2.9
101.02456	26.8
108.02212	4.1
113.02472	25.2
119.03524	33.8
131.03543	4.9
143.03532	5.6
147.92812	1.5
149.04620	4.0
149.09741	4.3
152.01152	2.3
153.01918	2.4
161.04572	10.7
165.01968	1.5
174.07161	1.3
179.05624	46.9
207.13965	1.5
278.20920	1.6
284.39615	1.5
285.06152	8.4
380.83652	1.5
405.21350	5.6
554.42310	1.6
561.19470	1.8
567.26611	31.8
568.26782	3.3
587.03802	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	628.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93355	1.3
56.83510	1.5
58.99611	27.9
59.01385	9.9
60.99310	4.7
61.98837	63.2
69.12035	1.2
71.01379	13.8
71.56668	2.6
72.99353	2.8
73.02975	3.8
79.95724	1.5
80.96531	1.5
81.73744	1.6
83.01411	1.6
84.04552	5.8
85.02964	11.3
87.00889	26.4
88.98809	23.9
89.02477	5.0
93.03475	6.7
94.02997	2.6
96.96021	37.0
97.01721	3.3
98.71800	1.4
101.02465	8.0
102.98608	100.0
106.66354	1.7
108.02176	2.0
109.02995	2.9
109.77605	1.4
111.00892	2.4
112.04063	50.7
113.02466	6.9
119.01376	1.9
119.03445	2.1
119.05006	1.9
120.99684	2.2
121.02962	6.9
126.05625	2.7
132.02153	1.9
134.03740	2.0
135.04538	10.2
137.02411	3.3
139.00383	1.4
147.00912	1.9
147.04546	3.8
149.02446	34.7
150.03206	1.9
151.04102	1.8
152.01163	2.4
161.02400	1.9
161.04543	2.4
163.04039	5.5
164.04790	33.7
165.01932	2.0
165.05472	2.4
170.45886	1.3
172.04385	4.1
173.04523	7.1
175.00388	14.9
177.05524	2.2
179.03499	4.5
179.05795	1.9
179.07129	9.9
190.02739	53.9
191.03465	6.7
191.05647	18.7
203.07120	2.5
205.05081	67.9
205.07022	3.4
206.05841	12.9
207.03018	4.2
208.03714	6.6
209.04591	3.0
219.02997	1.6
221.08238	16.3
223.06131	67.1
224.06534	2.1
237.07726	5.4
247.06053	3.5
249.06274	2.8
250.04701	3.4
265.07181	58.0
266.07550	2.7
271.97516	1.5
281.06836	2.4
282.65976	1.6
283.04935	27.8
295.08258	33.5
296.08682	2.7
325.09326	47.3
353.08469	2.4
367.10419	9.2
385.11420	36.7
392.11978	2.1
411.12979	36.8
412.12863	2.1
436.11133	2.7
455.12073	15.0
462.78870	1.4
489.10745	88.7
490.11075	7.5
533.67761	1.7
629.19080	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	630.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02525	0.7
50.79566	0.7
59.01384	2.4
61.98834	100.0
69.66274	1.0
71.01382	1.8
71.03227	2.0
75.88404	0.8
85.02895	0.7
87.39148	0.7
88.76555	0.8
89.02439	0.9
92.13824	0.8
92.14632	0.8
96.94288	0.7
96.96021	2.0
101.02478	1.5
113.09682	0.8
114.04469	0.7
119.05016	1.7
147.67848	0.8
150.54190	0.7
171.10274	1.0
208.72742	0.9
262.43906	0.8
299.01959	1.3
329.06464	1.3
367.18494	0.9
515.39783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43101	0.6
69.03480	0.7
69.75224	3.2
71.01374	2.0
73.02948	0.7
73.35567	0.5
77.69908	0.5
78.63900	0.5
78.95901	0.6
85.02972	2.7
87.06402	0.5
93.03452	0.8
95.01407	1.3
96.96022	9.6
98.19873	0.7
101.02429	1.0
108.02184	55.1
109.02991	15.1
110.03290	0.6
113.02509	0.6
120.88506	0.5
120.99632	0.6
121.02958	0.8
123.00907	1.1
123.04550	0.7
125.42510	0.6
133.02940	0.8
137.02464	0.7
151.03987	1.3
152.01166	49.1
152.91763	0.6
153.01962	17.5
158.71349	0.6
163.04004	1.0
165.01878	1.3
168.70428	0.5
191.05727	0.8
209.02940	0.6
211.03894	0.6
315.07242	100.0
316.07632	6.1
363.52179	0.7
433.13510	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	631.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
61.98835	5.6
73.02961	10.3
75.00851	4.2
98.20149	16.8
99.00902	15.6
99.92607	16.5
116.92871	100.0
116.97264	17.1
117.01943	17.9
117.05593	7.8
201.45287	2.6
258.79684	2.9
386.13153	3.1
463.19641	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	631.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76780	3.6
71.55677	6.9
78.95909	7.5
83.08343	3.6
98.32787	4.0
152.99580	3.4
155.89366	3.5
199.73363	3.2
261.09650	3.7
277.21741	100.0
278.22208	5.0
523.18628	3.6
631.31653	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
59.52149	2.1
60.79982	2.1
61.98842	3.2
70.58054	8.0
74.76408	2.9
78.95956	2.9
96.28636	2.3
99.97829	2.2
132.17969	3.1
132.77609	2.4
199.09813	3.7
201.11319	2.6
207.10231	2.9
277.21735	100.0
278.22116	6.9
389.73492	2.5
420.82227	2.4
465.86978	2.6
524.12897	2.9
602.69330	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	632.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98552	0.8
57.03448	0.9
59.01396	4.2
61.98842	5.1
64.50935	0.8
66.25832	0.7
69.22681	8.4
71.01387	3.0
72.97115	0.8
72.99284	1.1
80.91656	1.0
85.02947	2.8
87.00883	1.8
89.02448	2.4
93.03448	2.0
94.93279	0.8
96.96021	17.2
101.02426	2.0
109.02934	1.2
113.02433	1.2
113.71974	0.8
119.03503	1.6
119.05048	1.2
120.99603	0.9
121.02948	2.0
123.04527	1.9
125.02429	0.9
133.01477	1.6
133.02974	1.5
134.03792	1.0
135.04520	3.5
136.04768	1.0
137.02504	3.8
138.03247	0.9
145.02968	1.4
148.01682	1.8
149.02440	1.7
150.03252	20.1
151.00526	0.9
151.04031	31.6
152.01210	1.1
152.04295	1.1
155.03548	1.1
161.02385	1.4
163.04016	10.3
164.01134	1.6
173.04530	4.1
175.03929	1.4
176.01169	24.3
177.01848	2.8
179.03493	1.7
180.04054	0.8
189.01950	1.1
191.05637	6.6
193.05107	1.7
194.02219	22.7
195.02924	1.9
195.06577	1.1
202.08705	1.5
209.02950	1.2
220.09796	3.3
246.07671	2.9
301.00000	1.6
339.07220	10.6
353.40271	0.9
357.08298	26.8
368.11166	0.9
390.23770	0.8
434.11292	1.1
452.12021	3.1
452.18057	1.8
454.10077	1.0
469.12244	4.7
470.12909	1.2
470.19473	1.4
563.66779	0.9
632.18311	100.0
633.18689	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	633.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31373	5.1
58.42586	5.1
59.01387	87.6
61.98840	10.4
69.73367	5.3
71.01392	48.8
71.56277	7.7
72.99320	6.9
73.02937	6.9
85.02972	26.5
87.00848	7.4
89.02458	57.2
93.03478	26.2
96.96021	100.0
98.95599	8.6
101.02455	42.9
107.89430	5.0
108.02228	9.1
109.02986	9.6
111.00918	5.8
113.02480	31.0
119.03496	17.5
121.02960	16.2
125.02403	7.9
135.04506	28.2
136.04880	6.5
137.02473	33.4
143.03506	7.8
150.03174	6.3
151.03960	5.8
152.01157	12.2
161.02386	9.4
161.04497	13.7
165.01901	7.8
165.05612	6.7
173.04552	24.0
175.03996	5.8
177.01923	11.4
179.03491	16.3
179.05556	15.0
180.04170	5.9
180.35387	5.7
181.05058	11.8
190.02730	8.3
191.05571	25.1
194.05670	8.1
195.06624	6.7
201.22028	6.6
207.06618	11.2
209.08202	17.3
263.11417	8.1
326.64288	6.6
369.16058	7.0
411.20294	83.2
433.14948	14.5
633.20447	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	633.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76186	3.8
58.00578	4.7
59.01391	100.0
61.86425	3.6
61.98840	22.2
69.03460	4.1
69.58360	18.7
69.58767	5.6
71.01392	70.5
72.99336	6.0
73.02937	8.6
82.95430	10.6
83.01385	10.6
85.02965	31.0
87.00883	9.1
89.02452	74.3
93.03497	10.7
95.01398	8.3
96.96027	52.4
97.02978	4.2
99.58394	4.0
101.02453	34.4
108.02182	9.0
108.83041	3.9
109.02966	9.2
113.02458	24.4
116.92877	6.8
119.03517	34.0
121.02979	17.6
125.02416	4.4
127.00328	4.1
133.02927	4.0
134.03706	6.0
135.04530	11.7
137.02457	17.7
143.03535	4.9
149.02425	13.1
151.00371	4.2
152.01193	9.4
161.04553	11.7
163.04012	7.1
164.04810	13.5
165.01897	5.7
166.02753	4.5
167.03560	8.7
173.04555	10.4
175.00447	5.0
175.04077	4.7
179.03549	9.5
179.05627	26.6
179.07011	5.4
180.04243	7.2
190.01231	4.2
190.02663	19.8
191.05637	12.5
195.06670	12.4
201.11368	11.7
205.05048	20.3
206.05727	5.3
223.06114	13.0
265.07162	11.8
271.09808	5.4
295.08081	6.2
301.00012	8.9
363.22998	3.7
411.20270	9.6
471.15082	6.1
495.18433	4.2
633.22162	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	95.1
59.01389	17.7
59.59485	1.8
60.99315	2.5
61.98815	5.7
66.96346	1.9
69.03456	23.6
70.81109	5.4
71.01376	11.9
73.02940	3.8
75.00861	2.9
79.01895	8.3
81.03459	5.3
85.02954	17.3
85.44307	1.9
87.00890	3.7
88.98816	19.2
89.02437	8.2
93.03462	2.2
95.01363	2.1
96.96011	3.3
97.02973	11.6
99.00869	2.0
99.04532	95.7
100.04836	1.9
101.02436	19.1
103.11402	2.0
105.03455	2.3
107.01402	21.0
107.05015	2.1
108.02193	21.8
113.02474	3.2
120.01225	2.8
121.03019	2.2
123.00874	6.1
125.02460	100.0
126.02776	2.2
127.08733	2.2
128.03557	25.1
133.03003	3.5
135.00893	30.2
135.04503	2.8
137.02412	2.5
145.05048	12.6
151.00409	15.2
152.01176	47.1
158.72192	2.2
161.02391	3.6
161.04576	3.5
163.04024	4.4
171.07777	7.2
173.04514	5.1
190.02814	2.6
191.05577	2.4
195.13971	2.4
205.05090	2.6
215.06966	2.5
242.05811	18.8
243.06625	68.7
244.07057	3.0
249.05554	10.1
269.08127	16.2
293.21243	15.8
295.22797	4.5
311.22321	22.8
317.21124	5.9
335.22214	4.2
383.24249	4.5
399.21667	2.8
413.25287	5.4
429.11923	56.2
430.12204	5.4
447.12952	18.0
473.27258	7.5
489.14194	3.1
596.70502	2.2
635.32117	29.5
636.31805	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	635.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.02982	0.8
59.01393	3.2
60.99306	0.4
61.98830	1.0
64.57226	0.3
68.51981	0.3
71.01392	1.7
71.11163	0.6
71.11498	0.5
73.02957	0.4
73.36645	0.3
74.02125	0.3
74.02488	2.0
78.95928	0.5
79.46655	0.4
82.02979	2.0
84.04571	2.4
85.02959	1.1
85.42511	0.3
86.02493	9.9
87.00883	0.8
88.04057	1.2
88.98811	3.2
89.02459	1.2
93.03426	0.4
96.04547	0.7
96.96009	1.0
101.02474	0.8
102.22318	0.3
102.98606	1.2
109.07706	0.9
113.02457	0.8
118.80350	0.4
120.01271	10.9
120.36385	0.3
127.05169	2.9
127.08791	10.1
128.03555	100.0
129.03912	1.6
135.04541	0.4
135.21138	0.4
137.02492	0.8
153.06714	5.2
153.09189	0.6
163.04051	1.6
169.67093	0.3
171.07774	29.9
172.08101	1.2
173.04584	0.5
178.06409	0.6
179.04697	0.7
191.05667	0.5
197.05785	0.4
205.12221	0.5
210.03592	0.3
213.03445	1.5
215.06754	4.0
225.05905	0.5
231.04453	8.7
236.50174	0.4
249.05524	39.5
250.05838	1.2
397.23087	0.3
635.39319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.6
59.01386	5.6
60.99315	1.1
61.98821	1.7
62.67398	0.4
71.01384	2.5
73.02956	0.8
74.02474	1.8
82.03001	2.5
83.01390	0.6
83.40186	0.5
84.04552	1.8
85.02960	1.4
86.02492	10.2
87.00867	0.7
88.04042	0.7
88.98814	6.6
89.02454	1.8
93.03528	0.6
96.04545	0.6
96.96008	1.5
101.02454	1.3
102.98604	1.7
113.02487	1.2
116.92869	0.5
120.01273	9.9
125.02396	0.5
127.05180	3.6
127.08795	8.9
128.03557	100.0
129.03900	1.8
133.02956	0.5
135.04590	0.8
152.88919	0.5
153.06708	5.4
153.09238	1.2
161.04582	0.6
163.04036	1.6
171.07779	28.9
172.08138	0.8
173.04622	0.7
178.06383	0.9
179.04709	1.1
191.05751	0.9
197.05792	1.1
202.87718	0.5
205.12375	1.0
207.10211	0.5
213.03392	0.9
215.06755	3.4
223.13489	0.7
225.05870	0.6
231.04446	8.9
249.05524	44.6
250.05829	1.4
255.10997	0.5
311.22391	0.6
367.17593	0.6
418.12088	0.5
634.70062	0.5
635.29834	0.9
635.38531	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	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.9
58.00607	3.9
59.01388	100.0
61.98820	4.1
69.66767	9.0
71.01389	58.6
72.99321	3.7
73.02955	11.0
82.95441	2.4
83.01392	5.3
85.02955	23.3
87.00874	7.2
89.02454	44.8
90.92841	2.2
93.03477	9.3
95.01396	8.1
96.96022	26.5
98.20686	2.1
98.95616	5.1
99.00880	4.4
101.02451	34.4
108.02193	3.6
109.02950	3.1
111.00895	2.7
113.02459	41.6
114.63723	2.0
115.04642	2.3
116.92876	3.9
119.03529	17.2
125.02441	4.1
135.04546	34.7
137.02451	8.4
137.09741	2.4
139.00447	2.5
143.03491	3.2
146.20627	2.2
149.02437	5.8
149.04634	3.2
150.03226	4.9
152.01164	2.5
161.02502	3.4
161.04553	14.4
164.04797	3.9
165.01981	7.2
165.05621	5.8
173.04553	8.7
175.00330	4.7
179.03510	21.9
179.05640	6.0
180.04173	3.6
190.02730	6.8
191.05655	13.3
193.05161	2.0
195.06677	9.0
196.06323	2.1
205.05093	9.4
223.06183	6.0
281.06696	7.5
297.11868	3.1
311.05865	2.7
369.19455	3.5
387.20554	2.5
417.12350	4.3
461.10873	6.7
531.16315	3.9
531.24445	65.3
532.24738	7.1
549.25458	48.5
550.25903	5.9
555.35284	2.2
591.26996	9.6
635.15009	3.7
635.23303	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.0
57.03453	2.7
58.00591	2.1
59.01386	100.0
59.68124	1.2
69.03450	1.4
69.30300	9.0
69.30706	2.8
71.01392	69.3
72.60703	1.3
72.99310	4.5
73.02959	25.8
79.95750	1.3
83.01392	9.3
85.02465	1.5
85.02963	27.4
87.00893	5.6
89.02451	37.4
93.03468	3.9
95.01405	7.7
96.96021	37.9
96.96954	1.6
97.02977	2.0
98.20677	2.9
99.00884	3.3
101.02460	34.5
109.02998	1.8
111.00862	2.1
113.02463	53.9
115.00412	1.7
116.92832	1.8
119.03529	15.0
124.01645	1.6
125.02483	2.7
131.03487	3.6
133.02951	1.8
134.03677	1.6
135.04544	3.9
137.02420	3.8
137.09680	1.5
143.03482	6.5
149.02441	3.9
149.04488	1.5
150.03214	1.6
160.23091	1.3
161.04601	17.9
161.05916	2.7
166.56198	1.4
167.03506	1.4
173.04500	3.5
179.03517	2.7
179.05620	9.7
181.05074	4.6
187.64745	1.2
189.12912	1.7
190.02695	3.8
191.05641	7.0
192.27405	1.4
195.06682	2.5
205.05031	5.2
223.06076	2.9
284.10388	1.6
315.07141	1.6
369.19125	5.6
387.20193	5.9
531.24524	86.5
532.24982	7.8
549.17279	2.7
549.25525	46.9
550.25665	5.5
591.17059	7.5
591.26501	14.6
592.26532	1.9
635.21082	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	635.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61239	1.2
55.01876	1.8
57.03452	3.7
58.00588	2.1
59.01387	72.3
60.01709	1.6
69.03464	1.7
69.55396	3.0
69.55811	5.7
71.01389	40.4
72.99332	3.3
73.02959	11.4
82.95438	1.7
83.01373	6.2
85.02964	25.7
87.00887	6.9
89.02458	22.9
92.88406	1.3
93.03465	13.7
95.01405	5.0
96.96021	16.1
97.02948	1.8
99.00896	4.3
99.04562	1.5
101.02456	27.2
109.02987	2.4
111.00902	3.9
113.02457	21.1
116.92783	1.3
119.03535	7.0
119.04224	1.3
121.02959	3.1
123.04572	2.4
124.01664	1.6
125.02462	2.0
129.01932	2.5
134.03755	1.4
135.03627	1.7
135.04552	17.8
137.02466	14.9
143.03467	2.4
150.03142	2.0
153.02022	2.1
159.03004	2.0
161.02483	3.0
161.04552	7.2
161.05965	1.7
163.11285	2.5
165.01956	5.7
173.04536	6.0
179.03539	8.5
179.05489	2.8
180.04253	4.3
189.12840	2.1
190.02786	1.9
191.05653	9.7
195.06642	8.2
205.05022	3.5
207.13904	2.1
217.44295	1.3
225.14981	8.7
281.06729	2.1
283.06107	2.6
285.11035	1.4
304.66415	1.3
311.05597	4.9
369.19244	17.0
371.16956	3.6
387.20267	13.9
426.40475	1.3
429.21210	3.1
431.09985	5.1
461.10648	2.2
507.06689	1.6
531.24536	100.0
532.24835	9.1
549.25604	47.7
550.25623	4.1
591.26703	23.1
592.27087	2.7
635.20319	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	635.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06184	30.9
59.01384	42.7
61.98847	56.5
66.31530	36.0
71.12675	69.9
76.75426	37.0
78.95898	63.0
124.38646	35.9
152.99626	81.8
163.62344	38.6
187.29755	48.4
213.43654	37.2
279.23264	87.4
280.23547	100.0
307.40775	44.0
366.94730	34.8
601.22076	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1778
Annotation	Dillenetin 3-rutinoside
Peak:m/z	Relative Intensity
59.01389	1.4
61.76518	0.4
62.08269	0.5
71.01399	0.9
71.11076	0.9
73.02975	0.4
89.02457	0.6
96.96033	1.3
98.95618	0.6
101.02460	0.6
116.05050	0.5
123.88657	0.4
133.02968	0.7
160.01625	1.5
198.03291	2.3
200.01056	0.7
201.02046	0.6
202.02756	1.7
214.02687	1.5
215.78583	0.4
226.02750	5.8
227.03502	1.0
242.02228	3.7
243.02983	10.2
250.61613	0.5
255.02898	0.5
268.03748	0.7
270.01715	11.7
271.02457	21.4
272.02817	1.1
274.01117	0.8
281.04349	0.7
282.05313	0.7
284.03308	0.6
285.04053	26.1
286.04358	1.6
297.04138	1.3
299.01981	36.8
300.02609	5.5
309.04022	0.8
311.05478	0.7
312.02844	0.8
312.99716	0.5
313.03555	32.6
314.04327	46.2
315.05014	10.7
316.05450	0.7
327.05173	2.5
328.02200	1.1
328.05817	9.2
329.06671	87.7
330.06995	6.1
343.04459	1.1
357.05991	0.4
369.06421	1.1
370.06204	0.5
371.07632	0.5
399.07047	0.7
473.11075	0.8
477.10361	1.1
517.13403	0.7
607.12811	1.1
621.49951	0.5
622.15564	0.9
637.17743	100.0
638.18127	12.6
639.54657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
56.29378	0.2
57.03446	0.3
59.01388	2.8
61.98827	1.4
65.03959	0.3
69.35868	1.8
71.01395	2.9
73.02937	0.7
74.02478	0.7
74.99126	0.3
75.00901	0.4
77.50289	0.2
83.01382	0.6
85.02950	1.5
86.32584	0.2
87.00872	0.3
88.98808	0.2
89.02454	0.6
93.03467	47.2
94.03788	1.3
95.01429	0.3
96.96030	1.4
98.20615	0.3
99.00901	0.3
99.92604	0.2
101.02462	1.5
109.02960	0.2
111.00883	0.3
111.04513	0.2
112.98620	0.2
113.02472	0.9
116.92873	0.8
118.98093	1.8
119.05035	0.5
120.10986	0.2
121.02940	0.3
125.02414	0.4
125.83273	0.2
133.03032	0.4
134.03760	0.4
135.04530	0.4
137.02460	100.0
138.02788	3.2
147.00882	0.3
149.02466	0.4
161.02420	0.7
161.04506	0.5
163.04010	0.4
164.04781	0.6
166.00969	0.3
173.04570	1.3
175.00401	0.8
177.01981	0.3
178.02734	0.5
179.03560	0.5
187.66417	0.2
190.02721	1.7
191.05629	1.7
193.05093	0.4
194.05693	0.2
195.06534	0.3
205.05087	1.9
209.11858	0.3
223.06163	0.9
229.03413	0.5
265.07202	0.2
269.10425	0.4
299.07803	3.7
300.08203	0.3
314.04227	0.3
329.06644	0.6
337.09409	0.5
367.06830	1.2
448.63763	0.2
516.29279	0.5
552.67670	0.2
574.32538	0.4
575.32367	0.8
594.35632	0.3
637.16858	1.0
637.28613	1.3
667.89307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03465	1.4
59.01387	13.4
61.98835	8.6
65.95338	1.0
71.01397	19.1
72.99311	1.5
73.02950	5.2
74.02485	2.5
78.95903	1.9
79.95732	1.2
80.96495	2.2
83.01393	37.7
83.05009	1.0
85.02956	8.2
87.00887	2.9
88.98792	1.3
89.02461	4.4
93.03470	22.8
93.37926	0.9
94.03793	1.1
95.01405	1.9
96.96028	4.4
99.00915	1.7
101.02458	12.4
101.36638	1.0
108.02197	0.9
109.02956	1.8
111.00906	1.4
113.02482	6.9
115.74606	0.9
116.92854	3.9
117.03517	1.1
117.04567	1.0
119.03481	1.0
119.05050	5.7
121.02972	8.3
122.03767	6.9
123.04555	3.8
124.01661	1.2
125.02419	2.1
133.03001	1.2
134.03717	1.2
135.04565	2.6
136.01669	2.9
136.05305	1.7
137.02460	52.6
137.06078	6.8
145.02994	1.4
147.04530	3.7
149.02446	2.8
151.04027	1.1
152.01199	1.3
160.01550	1.1
161.02484	1.0
161.06088	1.9
162.06757	1.2
162.13478	0.9
163.04005	4.6
163.86113	1.0
164.04739	2.4
165.05583	2.3
173.04561	2.0
175.00389	3.4
175.04001	1.1
179.03488	1.8
190.02721	9.3
191.03305	1.7
191.05563	2.1
193.05113	1.5
205.05020	7.3
209.08212	2.0
223.06137	3.5
225.11252	1.2
281.06702	100.0
282.07004	5.3
311.05582	1.2
342.11163	2.9
343.07623	1.6
343.11795	12.0
345.30325	1.9
346.25568	1.0
357.13431	22.1
358.13870	1.3
457.12177	1.0
495.10709	1.2
507.35538	2.2
595.35217	3.4
639.20514	14.9
639.29773	5.0
639.39252	15.8
640.21320	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	639.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
59.01388	40.8
60.75565	0.6
61.98826	0.6
69.03474	0.6
69.96844	0.6
71.01393	23.6
71.56555	0.7
72.99316	1.5
73.02957	24.8
75.00893	1.2
76.52670	0.5
79.85981	0.5
83.01402	7.9
85.02969	8.7
87.00883	2.8
88.98834	3.0
89.02454	7.0
89.40440	0.5
93.03461	4.8
95.01408	2.1
96.96030	2.4
97.02953	0.9
98.95581	0.6
99.00882	1.1
101.02460	22.5
108.02180	1.0
109.02983	0.9
111.00901	2.2
111.52473	0.5
113.02462	10.5
115.00389	0.8
116.92922	0.8
117.92032	0.6
119.03511	3.5
119.05017	0.6
123.00890	4.0
124.01736	0.9
125.02435	1.9
131.03535	1.5
133.02968	0.9
134.03729	1.4
135.04565	2.5
137.02464	7.4
138.03215	0.6
139.00429	2.5
139.04051	1.0
143.03534	1.2
145.02951	1.2
147.04535	1.8
149.04596	1.9
149.06041	0.7
151.00385	26.0
151.04021	0.5
152.01070	2.0
153.01910	1.3
153.05533	0.5
155.03488	0.7
159.04572	1.0
160.01686	1.5
161.02498	3.1
161.04533	5.4
163.03923	0.6
165.01964	1.4
165.05569	1.1
166.02730	51.2
167.03188	1.9
171.10320	0.7
173.02391	0.6
173.04575	1.9
174.03183	1.5
175.02509	2.1
175.03989	12.9
176.04742	1.8
177.05611	1.0
178.02559	0.6
179.03487	1.7
179.05608	1.0
181.05086	100.0
182.05406	3.0
187.04021	1.3
189.05637	1.2
190.02757	0.7
190.06387	10.8
191.01895	1.2
191.03596	0.9
191.05434	2.6
192.04041	0.8
193.05070	0.9
195.06723	0.7
196.03784	0.6
197.11806	1.2
203.03522	0.8
203.05450	0.6
205.05057	1.6
205.08727	20.7
206.09059	0.7
207.06676	0.6
211.13463	1.8
220.07333	0.7
233.08162	1.0
236.91071	0.6
241.14442	0.9
251.09352	0.9
265.05368	0.7
269.04681	0.8
277.05014	0.7
281.04337	0.7
291.06586	1.0
293.04614	1.9
297.04095	0.7
307.06277	1.2
308.06766	2.7
309.04065	0.9
309.07693	1.3
311.09467	0.7
312.06381	1.2
323.09250	6.8
324.06302	1.3
324.09821	1.2
327.05267	1.2
327.08893	2.3
337.10846	0.9
338.11591	4.8
339.08725	5.0
339.12347	1.2
342.11145	3.2
343.11911	1.3
353.10431	0.9
354.11047	1.6
355.11572	0.7
357.09787	0.8
357.13541	6.9
369.09845	0.6
369.13519	8.3
372.12204	2.3
375.14624	0.9
387.14542	42.4
388.14853	3.6
399.14484	9.4
400.14713	1.1
405.15649	4.3
417.15350	3.2
477.13495	0.6
549.19592	2.7
579.20807	3.5
580.21722	0.6
597.22021	0.9
639.16669	2.3
639.26147	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	639.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14746	1.7
57.03446	2.9
59.01387	25.7
61.98840	13.4
65.03979	3.8
69.48653	13.6
71.01398	21.2
72.99313	2.0
73.02954	4.8
73.14091	1.5
74.48251	1.7
78.95911	4.8
81.03450	2.9
83.01408	3.5
83.05031	8.0
85.02953	6.8
85.06613	2.5
87.00911	8.7
89.02466	11.1
93.03476	2.1
93.45567	1.9
95.01410	1.7
96.96024	4.8
97.02995	2.2
97.06615	3.6
98.20663	2.0
101.02473	17.3
109.06584	2.9
111.04494	2.5
111.08182	5.4
113.02471	8.7
115.88049	2.0
119.05033	5.0
123.08163	3.8
125.09744	14.2
137.09773	2.4
141.01900	1.7
145.05101	2.8
161.04567	6.4
171.10278	63.7
172.10599	2.5
183.13980	2.2
185.11916	3.4
198.41199	2.0
205.15997	2.8
209.11841	18.0
211.13422	20.5
215.14429	11.2
221.15453	2.6
231.13889	2.7
233.15480	32.2
234.15823	2.6
235.08289	8.3
235.13326	2.2
249.14996	30.5
253.09303	5.3
331.26563	2.6
341.24741	5.8
359.25726	1.9
367.22586	4.3
375.25342	4.2
385.23837	26.8
386.24335	2.8
403.24945	49.8
404.25314	4.5
407.19055	2.0
421.25824	14.4
437.86121	2.0
460.75656	1.8
611.34290	4.4
621.32849	100.0
622.33093	14.7
639.33875	53.7
640.33838	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	641.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56794	1.0
57.03443	1.5
59.01390	7.5
61.98830	2.4
69.03444	4.8
71.01398	7.3
71.05004	1.2
71.57606	1.7
83.05016	2.4
85.02940	2.3
89.02442	4.6
95.04992	1.4
96.95988	3.2
97.02965	25.4
100.39839	1.1
101.02429	4.7
106.07327	1.2
111.08126	2.2
113.02455	2.4
117.38522	1.1
123.08133	1.5
137.09737	6.2
151.11263	1.4
165.12781	1.9
171.10266	5.8
177.12802	1.9
191.05605	1.5
193.08469	5.5
193.12262	2.2
195.13786	2.5
203.14609	1.4
205.16028	1.2
207.10027	2.5
209.11856	1.3
211.13409	18.9
213.14894	2.6
221.15536	1.6
224.22212	1.2
225.14830	1.5
233.11563	2.9
239.13017	1.3
239.16541	2.0
241.18007	1.7
245.11594	8.0
247.13533	1.6
253.09154	3.8
261.11008	2.7
262.09299	1.9
262.11865	24.7
263.12277	1.3
267.19574	1.4
273.14713	1.7
273.18417	1.5
275.16580	1.3
287.16217	1.5
291.19678	21.6
309.20728	50.8
310.20941	3.8
313.17685	2.8
315.26807	2.8
317.28479	1.2
325.25461	6.6
331.18890	23.1
332.19049	1.2
341.24869	3.0
343.26419	6.4
351.23044	3.0
359.25891	4.8
361.27225	2.3
369.24332	6.9
387.25415	11.6
388.25549	1.3
405.26489	25.7
406.26758	2.2
631.61755	1.3
641.35242	100.0
642.35895	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	641.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01387	9.2
60.33720	0.5
61.98833	3.8
69.03435	0.6
69.92205	3.0
71.01385	6.2
71.05051	0.7
73.02948	1.3
75.57507	0.5
81.03465	0.9
83.01393	0.7
83.05046	1.5
85.02955	2.5
87.00893	0.7
89.02446	4.2
95.00545	0.6
95.01369	0.7
95.04996	1.0
96.96017	1.8
97.02957	2.5
97.06590	0.8
101.02457	6.7
104.94057	0.7
107.04998	0.9
109.06589	2.0
111.08183	1.9
113.02473	3.0
119.03523	0.7
119.05080	0.7
135.08145	0.9
137.09735	1.7
151.11311	0.6
161.04498	1.5
171.10294	0.8
179.05611	0.8
183.13878	3.0
191.10783	0.7
193.12346	1.0
211.13419	39.5
212.13789	2.3
213.14986	2.3
231.17441	1.6
235.08202	1.2
239.16536	2.4
241.18132	1.7
245.19189	0.9
247.13379	1.7
253.09258	5.7
265.18130	0.6
267.19708	1.3
275.16504	2.2
275.19720	0.6
277.17871	1.0
278.50986	0.7
291.19690	2.1
309.20688	3.2
313.25427	1.2
315.26709	3.1
317.28549	1.3
325.25385	6.4
331.18896	1.4
333.27835	1.4
341.24887	2.7
343.26495	6.4
351.23196	1.5
359.25922	6.4
360.26138	0.6
361.27557	2.6
369.24368	6.6
377.26956	1.6
379.28568	0.7
387.25476	16.9
388.25797	1.7
401.33713	0.7
405.26492	34.5
406.26791	2.8
429.50125	0.7
436.77933	0.6
447.22394	1.1
513.08057	0.7
641.35425	100.0
642.35718	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	641.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01373	2.3
61.98833	2.8
64.02126	0.7
69.03468	6.7
69.03815	1.0
69.18263	2.5
69.18678	5.4
71.01401	2.6
71.05001	0.9
74.47509	0.7
78.95914	1.0
83.01388	1.1
83.05014	1.6
85.02962	2.5
93.03442	1.2
96.96030	4.0
97.02961	54.3
97.06551	0.9
98.03313	1.1
105.55864	0.7
109.06545	0.9
110.03719	1.2
111.04506	2.1
111.08192	1.5
119.05031	0.9
119.08678	1.5
121.06617	0.9
123.04543	1.2
125.09702	1.2
135.08171	1.3
136.57013	0.7
137.09734	12.5
139.11273	1.4
151.11292	2.8
155.10742	0.9
164.52379	0.7
171.10283	10.5
173.04555	0.9
177.12886	1.8
185.11868	1.0
193.08482	11.8
193.12294	1.6
193.15993	0.9
195.13959	1.9
203.14488	0.9
207.09998	3.7
209.11777	1.3
211.13440	8.3
215.10609	1.1
221.11848	4.1
233.11607	3.1
239.12912	2.4
239.16434	0.9
240.13681	1.3
245.11493	0.9
245.19070	0.8
247.20660	3.0
261.11182	4.8
262.11874	73.9
263.12109	3.0
273.14658	0.9
273.18604	1.4
287.16364	2.5
291.19684	50.4
292.20053	3.0
294.10754	1.1
302.56171	0.8
309.20740	100.0
310.21118	8.0
313.17880	6.3
315.26923	0.8
325.25494	1.4
327.15881	0.9
331.18936	66.3
332.19278	4.7
343.26398	0.9
387.25342	2.8
405.26416	3.4
572.32190	2.4
641.34613	15.4
642.36627	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	641.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
61.98821	5.7
69.03455	6.7
70.72263	1.2
71.01374	2.7
71.56059	1.5
77.72307	1.4
78.95930	2.5
81.03429	1.9
83.05013	4.1
85.02964	4.4
89.02470	1.2
93.03486	2.1
95.05037	1.3
95.25874	1.3
96.96026	3.5
97.02959	62.6
97.06605	4.2
106.60523	1.3
111.08179	2.8
119.08661	2.5
121.06635	1.3
125.09764	2.2
137.09738	16.6
151.07620	4.5
153.09117	1.2
163.11288	1.7
165.12820	4.4
167.10741	1.9
171.10269	21.4
172.10680	1.6
173.04597	2.3
183.13902	6.1
189.55780	1.4
193.08495	16.1
195.14017	1.5
199.13445	2.5
207.10043	15.5
209.11716	2.0
211.13402	88.5
212.13753	4.9
215.10577	3.0
221.11844	3.6
223.13396	3.4
233.11623	11.6
239.12863	3.5
240.13641	1.7
245.19223	2.1
247.20543	1.9
253.09285	3.8
261.11023	4.0
273.18500	1.7
285.14795	2.1
287.16318	7.0
291.19659	16.1
309.20715	100.0
310.21017	9.0
313.14099	5.6
313.17868	20.2
314.18130	2.8
331.15219	14.9
331.18903	53.1
332.19205	4.1
375.17889	3.5
405.26410	2.2
447.22409	3.4
481.72296	1.3
641.40961	26.3
642.40216	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98821	1.3
65.41782	0.5
67.13143	0.6
69.63293	2.5
71.01391	7.9
78.95918	0.7
85.02980	0.8
96.96010	1.3
97.02946	1.8
123.08213	0.6
125.09747	1.2
125.99352	2.0
127.07668	0.5
130.61456	0.7
136.25677	0.5
137.09677	0.6
141.09222	3.3
165.01685	4.9
165.09026	0.7
171.10283	1.3
181.08513	1.3
183.10040	1.4
183.13869	1.0
193.04866	0.8
193.08466	9.4
197.08040	0.7
199.09705	0.6
207.10291	0.6
209.07932	3.4
211.13422	7.5
221.07951	3.0
222.08745	61.2
223.09517	31.1
224.09958	0.8
225.07484	0.7
227.09068	0.7
241.06886	0.5
248.00034	0.5
248.10341	0.7
254.07697	5.4
261.11069	1.3
262.11841	4.8
280.27237	0.5
291.19669	1.6
294.10095	0.6
299.50089	0.5
301.17780	0.9
303.19547	1.6
309.17233	0.7
309.20761	8.2
310.21152	0.6
313.17856	1.7
331.18924	100.0
332.19263	8.4
349.18692	0.6
369.21643	0.5
375.17978	1.7
532.29199	2.9
533.28900	0.8
641.39734	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	647.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94221	1.0
55.01879	1.4
57.03432	1.7
59.01369	4.6
61.98805	1.2
68.99821	3.1
71.01383	4.9
71.55723	1.7
72.99312	3.5
75.00868	1.7
75.02590	1.5
75.93791	1.0
78.95914	1.9
85.01016	3.1
85.02955	6.8
87.00869	2.3
88.98811	1.6
89.02431	1.2
93.03465	5.5
96.96024	45.6
96.96957	2.0
96.99294	1.5
98.00092	1.6
99.00871	4.2
101.02452	1.6
103.00345	1.3
109.02947	1.2
111.00889	3.2
111.04483	1.6
112.98824	6.8
113.02483	1.0
114.98450	1.4
115.00380	1.3
115.02058	2.1
121.02986	1.3
124.98824	1.9
125.02425	2.0
129.01935	2.6
133.02974	1.2
134.03746	2.6
135.04559	11.9
136.01660	2.1
136.05045	1.0
137.02408	3.0
142.99892	2.1
143.01566	1.1
145.01399	4.3
149.02420	3.2
149.06053	2.8
150.03221	0.9
151.00331	1.0
151.04018	2.9
152.01198	1.5
157.01381	4.8
157.03122	1.3
159.90625	1.2
161.02438	2.0
163.03958	3.0
164.04759	3.1
165.05617	1.7
166.02692	2.2
171.01093	4.0
173.04541	15.7
175.04019	1.1
177.01981	1.1
178.06345	1.7
179.03505	10.8
179.07149	4.1
181.05083	2.8
187.02533	2.1
191.01958	2.1
191.03566	3.4
191.05611	14.5
193.05069	1.7
202.05101	1.0
203.03564	1.5
205.05038	1.7
206.05916	1.2
207.06689	1.0
209.02905	2.5
215.03387	1.3
215.13445	1.2
219.02890	1.8
231.03087	3.0
232.03671	1.3
234.05302	3.8
237.07695	1.7
245.59631	1.0
246.05359	2.7
247.06232	2.5
249.07611	4.1
261.07684	3.3
263.05786	9.0
263.08737	1.3
273.07791	1.4
276.06387	2.5
279.08716	1.9
291.08762	11.2
293.33426	1.1
303.08743	2.2
309.09677	2.5
317.08575	2.0
331.45499	1.1
335.09387	2.8
353.08856	10.0
473.16327	1.4
485.17258	1.1
505.82285	1.2
555.14764	1.3
603.17474	4.2
647.16412	100.0
648.16589	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	647.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64142	0.1
59.01379	0.2
61.98818	0.2
64.49952	0.1
69.80441	0.1
71.01397	0.1
78.95912	1.9
79.95747	3.1
85.02966	0.5
93.03484	0.3
96.96021	100.0
96.96904	3.5
97.95958	0.4
106.90192	0.1
108.02175	0.3
121.02937	0.3
149.85432	0.1
166.28114	0.1
173.04590	0.3
179.03519	0.1
180.03932	0.1
191.02008	0.3
191.05673	0.5
193.05104	0.1
209.03058	0.3
229.46870	0.1
243.59340	0.1
327.05237	0.2
430.36301	0.1
462.32425	0.1
591.36438	0.1
647.22162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00608	4.3
59.01386	100.0
61.25054	2.5
61.98832	10.8
71.01392	65.7
72.99314	3.3
73.02959	16.9
83.01385	9.3
85.02958	22.4
87.00906	5.9
88.98820	27.7
89.01930	4.8
89.02454	63.9
93.03461	2.8
95.01379	6.5
96.96036	13.1
101.02462	41.9
110.36327	2.8
113.02461	40.3
119.03521	25.0
123.00847	2.9
125.98778	3.1
131.03560	3.4
134.74907	2.7
135.93228	2.8
137.02441	3.4
143.03484	7.7
161.04559	12.5
173.04538	2.9
179.05624	13.4
196.72168	2.5
199.13577	2.9
201.11197	4.1
209.11830	3.7
246.98489	2.8
383.26999	3.1
394.35046	2.8
465.22772	3.4
485.31168	3.6
543.28198	9.0
561.29144	10.5
562.28259	4.0
647.36694	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	647.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07847	2.3
55.01875	2.7
57.03445	5.8
59.01387	100.0
61.98822	6.1
65.21528	2.1
71.01392	60.5
71.03725	3.4
72.99315	4.4
73.02960	16.6
83.01421	10.8
85.02962	40.1
87.00877	4.9
89.02452	47.8
93.03449	8.8
95.01387	6.0
96.96024	12.6
99.00845	2.6
99.04520	2.9
101.02457	40.1
109.02950	5.6
113.02457	43.4
116.58959	2.0
119.03515	22.9
121.02981	3.1
122.81963	2.4
125.02397	2.9
129.01952	4.3
131.03471	3.5
135.04501	8.4
137.02449	6.5
143.03502	11.1
146.65367	1.8
147.03035	3.3
149.04535	6.8
153.01901	3.0
154.02242	3.1
161.02391	2.8
161.04604	14.9
173.04533	6.5
179.03465	6.6
179.05621	14.8
191.01961	11.1
191.05605	10.2
201.11333	2.9
205.05116	2.8
209.02982	6.9
209.08110	2.1
275.09424	2.3
283.06229	3.1
314.04358	2.5
371.10425	3.8
543.28101	25.9
544.28308	2.9
561.21344	3.5
561.29199	23.8
562.28955	2.5
603.30396	3.6
611.13605	2.9
647.36029	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
57.03444	11.0
58.00583	3.6
59.01387	100.0
60.35802	2.3
61.98831	10.2
62.11974	2.3
69.03468	2.7
69.53144	4.0
69.53549	13.8
71.01392	69.1
72.99303	6.8
73.02954	13.5
82.95423	4.6
83.01390	7.7
83.05019	4.7
84.02186	3.2
84.95181	3.8
85.02963	74.0
87.00870	9.7
88.98767	3.4
89.02454	47.6
93.03479	15.5
95.01405	5.8
96.96025	37.1
97.02991	2.9
99.00909	3.8
99.04522	3.5
101.02449	41.8
108.02162	4.2
109.02959	7.3
111.00871	6.4
111.04558	3.7
112.98551	3.6
113.02470	35.1
116.92899	5.4
119.03517	20.4
119.05038	4.9
121.02972	7.0
123.04526	3.3
125.02458	4.9
127.03951	3.4
128.03543	4.1
129.01944	10.5
131.03491	2.8
134.03755	11.5
135.04550	39.9
137.02469	13.2
143.03580	5.6
145.02959	5.0
147.03035	11.6
147.04462	3.6
149.04613	4.1
151.03973	3.9
151.07649	10.9
152.01173	3.4
153.01926	3.6
155.03487	3.1
161.02467	7.2
161.04553	14.8
161.05753	2.4
164.04784	3.7
171.10298	4.0
173.04550	25.6
175.03979	6.7
178.02699	5.5
179.03510	25.0
179.05667	12.6
191.02013	22.7
191.05637	36.8
193.04984	3.3
194.05727	3.8
195.06651	4.0
201.11354	6.5
205.05116	4.9
209.03075	23.5
209.08212	5.7
209.11694	4.0
223.02451	2.5
223.06145	4.5
229.24481	2.7
249.05649	3.3
265.07068	2.7
269.08081	4.0
282.08722	2.7
287.09216	5.6
299.18240	2.6
313.11392	3.2
351.21912	12.8
353.08627	3.7
371.10452	3.5
437.12491	4.0
441.11865	3.0
455.13446	6.2
479.04462	3.0
543.28033	17.2
561.29071	20.4
629.19025	4.8
629.38586	6.9
647.23505	11.3
647.40668	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52518	1.6
54.72703	1.7
55.01871	3.8
57.03447	8.4
59.01385	100.0
61.98844	10.8
65.79284	1.9
69.03483	3.9
69.25397	17.1
70.20544	1.8
71.01389	68.6
72.99319	5.1
73.02969	11.1
74.20483	1.9
75.00871	2.4
77.46691	2.0
79.16402	1.9
80.22762	2.2
82.95457	2.9
83.01393	6.5
83.05037	2.1
85.02962	55.6
87.00897	7.6
88.98812	2.7
89.02452	35.3
93.03450	9.6
95.01377	5.6
96.96002	17.6
97.02943	2.3
99.00888	6.0
101.02454	39.2
109.02976	3.1
111.00890	5.8
111.85281	1.9
113.02454	34.7
119.03538	12.3
119.05029	4.1
121.02975	3.4
121.10995	1.8
124.01670	2.7
125.02431	4.4
128.03546	2.7
129.01970	7.4
134.03763	6.0
135.04555	14.4
137.02431	10.6
143.03526	5.0
145.02991	3.6
147.03018	9.2
147.04524	1.8
149.02408	3.8
150.03262	3.2
151.04121	1.9
151.07622	3.0
153.01999	2.7
159.02902	2.1
160.01740	2.5
161.02530	4.1
161.04578	16.0
163.04004	3.0
166.08525	2.2
173.04605	15.7
178.02843	2.7
179.03481	10.2
179.05611	4.5
191.02031	14.7
191.03828	3.6
191.05591	21.2
193.05110	2.1
194.05872	4.6
195.06613	2.6
201.11320	4.4
205.05110	2.2
209.03043	11.3
209.08182	6.1
209.11739	2.5
371.10031	3.3
399.23917	6.1
444.55823	2.1
543.28119	82.5
544.28717	9.9
561.29181	64.1
562.29370	6.3
603.30353	11.9
647.36078	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	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
57.03444	11.0
58.00583	3.6
59.01387	100.0
60.35802	2.3
61.98831	10.2
62.11974	2.3
69.03468	2.7
69.53144	4.0
69.53549	13.8
71.01392	69.1
72.99303	6.8
73.02954	13.5
82.95423	4.6
83.01390	7.7
83.05019	4.7
84.02186	3.2
84.95181	3.8
85.02963	74.0
87.00870	9.7
88.98767	3.4
89.02454	47.6
93.03479	15.5
95.01405	5.8
96.96025	37.1
97.02991	2.9
99.00909	3.8
99.04522	3.5
101.02449	41.8
108.02162	4.2
109.02959	7.3
111.00871	6.4
111.04558	3.7
112.98551	3.6
113.02470	35.1
116.92899	5.4
119.03517	20.4
119.05038	4.9
121.02972	7.0
123.04526	3.3
125.02458	4.9
127.03951	3.4
128.03543	4.1
129.01944	10.5
131.03491	2.8
134.03755	11.5
135.04550	39.9
137.02469	13.2
143.03580	5.6
145.02959	5.0
147.03035	11.6
147.04462	3.6
149.04613	4.1
151.03973	3.9
151.07649	10.9
152.01173	3.4
153.01926	3.6
155.03487	3.1
161.02467	7.2
161.04553	14.8
161.05753	2.4
164.04784	3.7
171.10298	4.0
173.04550	25.6
175.03979	6.7
178.02699	5.5
179.03510	25.0
179.05667	12.6
191.02013	22.7
191.05637	36.8
193.04984	3.3
194.05727	3.8
195.06651	4.0
201.11354	6.5
205.05116	4.9
209.03075	23.5
209.08212	5.7
209.11694	4.0
223.02451	2.5
223.06145	4.5
229.24481	2.7
249.05649	3.3
265.07068	2.7
269.08081	4.0
282.08722	2.7
287.09216	5.6
299.18240	2.6
313.11392	3.2
351.21912	12.8
353.08627	3.7
371.10452	3.5
437.12491	4.0
441.11865	3.0
455.13446	6.2
479.04462	3.0
543.28033	17.2
561.29071	20.4
629.19025	4.8
629.38586	6.9
647.23505	11.3
647.40668	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01377	12.5
61.98830	5.1
67.01894	2.2
69.03451	2.1
71.01400	12.5
71.56683	2.4
73.02965	1.6
74.06676	1.2
75.00874	3.1
79.95738	1.3
80.96524	3.9
81.03445	1.5
83.01390	3.9
83.05013	1.8
84.64382	1.5
85.02969	14.3
87.00873	3.9
88.98813	1.5
89.02454	4.2
91.33327	1.3
93.03468	42.9
96.96017	39.4
97.02934	2.7
98.95597	5.1
99.00883	1.8
101.02468	6.4
107.05048	2.8
108.02186	3.2
109.02959	27.1
111.00873	4.1
111.04517	5.0
113.02456	4.8
114.01983	1.6
119.03471	2.0
121.02987	7.8
124.01639	1.6
125.02467	2.2
127.03987	2.4
132.02182	3.4
133.02968	4.8
134.03757	42.6
135.04535	83.0
137.02451	100.0
138.02843	2.1
139.04048	2.7
143.03481	1.7
143.05061	3.1
146.03746	3.1
147.04527	3.6
148.04022	1.6
148.05246	2.7
149.02481	2.1
149.06085	48.0
150.03281	3.3
151.03963	2.5
151.07646	2.4
153.01913	1.6
155.03493	3.8
159.04454	2.7
160.01675	21.6
160.05237	1.5
161.02475	8.4
161.04716	2.8
161.06061	15.6
162.03107	1.8
163.04025	4.0
164.04819	2.1
165.05557	3.7
168.00580	1.9
171.04535	4.1
173.04536	13.8
173.06082	5.0
174.03259	4.3
175.04005	37.7
176.04532	1.8
177.05592	21.5
178.02704	18.9
179.03439	6.3
187.04105	1.6
188.04788	2.1
189.05606	29.4
190.02658	1.7
191.01920	4.7
191.03639	3.2
191.05605	7.7
191.07149	3.1
192.05945	1.6
193.05064	60.3
194.05273	2.2
195.06703	3.7
205.05130	2.6
207.06659	31.2
208.07051	2.4
209.02995	3.9
219.06688	4.1
221.04559	32.5
223.53804	1.5
231.06630	13.3
232.87912	1.6
233.04553	2.6
235.06091	13.6
239.05666	7.4
249.07738	9.5
251.05348	1.5
253.07144	2.1
281.06665	31.1
293.06674	1.6
311.07742	19.5
337.09332	35.7
338.09659	1.5
369.11942	3.0
387.10947	3.8
397.11786	2.2
398.22357	1.5
401.10809	7.1
413.10754	2.0
473.13968	5.3
475.12445	3.9
487.16034	4.2
545.16693	12.5
559.14624	3.9
577.15729	5.1
589.15942	3.1
591.17212	3.8
619.16718	3.6
649.16406	4.1
649.26428	25.2
650.26086	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	649.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81054	0.3
54.25330	0.3
57.03450	1.1
59.01387	3.5
60.99317	0.5
61.98833	1.7
65.03965	0.8
67.01901	3.7
69.03468	1.1
70.70155	0.4
70.70526	1.0
71.01383	4.7
72.99325	0.5
73.02939	0.8
81.03461	1.2
83.01382	0.6
83.05025	1.6
84.49306	0.3
85.02958	5.4
85.97334	0.3
87.00888	0.8
88.98791	0.7
89.02477	0.9
93.03465	60.9
94.03786	1.5
95.01377	0.5
96.96026	4.8
99.92613	0.4
101.02444	1.0
108.02125	0.6
108.90788	0.4
109.02978	1.8
111.00893	1.9
111.04539	5.6
113.02456	1.0
116.92841	0.6
117.03484	0.4
119.03535	0.5
121.02982	1.1
124.54671	0.4
127.04024	0.5
129.01910	0.9
133.02974	0.6
134.03751	8.6
135.04570	3.1
136.01639	0.4
137.02455	89.3
138.02777	2.8
139.04030	0.5
143.37643	0.4
147.72661	0.4
149.06055	2.0
150.03247	0.5
151.03963	0.5
153.01945	0.7
155.03511	6.0
160.01637	0.4
161.02449	1.8
163.03909	0.4
168.04332	0.3
173.04556	100.0
174.04868	2.7
175.04063	0.4
178.02715	7.4
179.03444	1.0
191.02023	1.8
191.03598	0.6
191.05547	2.0
193.05052	12.2
194.05415	0.3
195.06609	0.5
209.03008	1.8
221.04410	0.8
281.06683	11.1
282.07071	0.5
284.03241	0.6
299.05536	0.8
311.07797	0.8
353.10278	0.6
367.10220	0.8
418.34595	0.4
438.73212	0.4
457.15076	0.5
475.11426	2.7
517.82458	0.4
592.19592	0.4
607.16364	0.4
617.18268	1.0
649.17560	14.2
650.17902	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	649.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16898	0.5
55.01891	0.5
57.03457	1.7
58.70697	0.4
59.01381	5.9
60.99326	0.8
61.98833	2.3
67.01891	3.6
69.03466	0.9
71.01388	5.7
71.56835	0.5
72.99329	1.2
73.02958	1.2
75.00850	0.7
79.95760	0.7
80.96540	1.0
81.03472	1.0
83.01417	0.9
83.05045	1.1
85.02955	7.9
86.03264	0.6
87.00891	1.4
88.98800	0.9
89.02465	1.5
93.03467	60.5
94.03793	1.2
96.96026	9.1
96.96989	0.5
98.95660	0.5
99.04520	0.7
99.28970	0.5
101.02473	1.8
108.02201	1.0
109.02983	1.4
111.00876	1.3
111.04531	5.3
113.02452	2.9
121.02969	1.3
125.02496	0.6
126.90411	2.1
127.04108	0.9
128.03578	0.7
129.01938	1.4
133.03026	0.6
134.03761	20.1
135.04565	2.4
137.02458	100.0
138.02766	2.6
139.03937	0.5
145.02985	1.1
147.03055	1.3
148.05302	0.5
149.02501	1.3
149.06033	2.3
150.03166	0.4
151.03951	0.6
153.01991	1.1
155.03539	3.7
161.02422	1.4
161.04575	0.6
163.04010	0.9
164.04846	0.6
165.01938	1.5
165.03966	0.6
165.05583	0.8
173.04561	74.1
174.04854	1.8
175.00465	0.6
175.04062	1.0
178.02696	2.7
179.03482	1.7
179.07117	0.6
180.04248	0.5
190.02742	1.7
191.02028	3.0
191.05661	4.6
192.05983	0.5
193.05077	12.3
195.06622	1.8
205.05075	2.2
209.03064	2.1
209.76520	0.5
223.06104	1.0
245.26546	0.5
251.20642	0.5
265.07037	0.8
281.03925	0.9
281.06665	7.8
327.89807	0.6
337.09412	1.4
355.10431	1.5
367.10300	1.1
369.27792	0.5
439.14221	0.7
457.15002	1.6
475.12515	17.9
476.12573	1.5
617.18530	2.0
649.17615	7.0
649.25555	3.2
649.35870	0.6
650.18066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.00589	0.3
58.29273	0.2
59.01386	3.0
61.98835	0.8
65.03967	0.6
69.35680	1.6
69.36086	0.3
70.07631	0.2
71.01392	2.7
72.99313	0.4
73.02961	0.5
75.00880	1.1
83.01389	0.3
83.05078	0.3
85.02959	1.8
85.22778	0.2
87.00900	0.6
88.98845	1.4
89.02440	1.7
93.03472	47.8
93.20959	0.3
94.03806	0.9
95.83598	0.3
96.96024	1.0
97.06565	0.4
101.02474	1.3
108.02179	0.3
109.02974	0.3
111.00887	0.3
113.02464	1.3
114.19607	0.2
118.99883	0.5
119.05103	0.2
121.02995	0.5
122.59866	0.3
125.09703	1.7
133.03000	0.3
135.04510	0.7
137.02463	100.0
138.02802	3.0
149.02426	0.6
160.01605	0.3
161.02489	0.8
161.04494	0.4
164.04700	0.3
171.10245	0.3
173.04585	0.9
175.00337	0.5
175.03999	0.4
179.05664	0.4
179.07120	0.3
187.09775	0.9
190.02773	1.0
191.05650	1.0
201.11369	0.3
205.05125	1.2
209.11806	0.4
221.40028	0.3
223.06166	0.6
229.03610	0.3
251.43806	0.3
287.49673	0.2
299.07770	4.6
327.21945	0.6
367.06689	1.2
367.10791	0.3
478.08353	0.3
545.29803	0.3
563.31036	1.1
564.32190	0.3
607.30151	0.5
633.31616	1.0
651.19794	0.5
651.33411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03452	2.6
58.00600	0.8
59.01385	22.3
59.24810	0.5
61.98840	3.6
67.01900	1.2
67.50365	0.5
68.01464	0.6
68.99828	1.1
69.03465	1.3
70.47803	0.6
71.01389	25.6
71.05044	0.7
71.56052	0.7
72.99318	7.5
73.02956	5.5
75.00879	11.3
76.03858	0.6
81.03465	0.7
83.01392	3.2
84.02151	0.6
85.02451	1.2
85.02956	18.7
87.00890	6.5
87.01388	0.8
87.48179	0.8
88.98819	2.5
89.02458	9.8
93.03478	4.0
95.01404	4.4
96.96021	5.6
97.02925	0.8
98.02525	0.7
99.00890	8.4
101.02462	10.2
103.00365	1.2
109.02988	0.9
111.00894	2.3
112.98582	0.6
113.02465	17.2
115.00359	1.4
116.92886	3.0
117.01954	1.0
119.03532	1.8
119.05039	27.3
120.05334	0.8
120.99659	0.6
121.02955	1.5
123.04556	1.0
125.02456	1.3
128.03531	0.7
128.90178	1.4
129.01949	1.8
131.03535	1.4
133.02997	1.1
134.03751	1.5
135.04576	3.2
136.41838	0.6
137.02452	4.3
143.03488	0.7
143.04617	0.6
145.02962	1.8
149.02390	1.5
149.04486	0.7
149.06107	0.9
150.03258	0.7
153.05585	0.7
157.01358	1.0
161.02515	1.0
161.04578	1.1
163.04028	21.3
164.04536	1.0
165.01917	3.6
165.04048	1.7
165.05505	1.5
166.02730	1.0
171.10333	1.4
173.04550	2.6
175.02533	1.2
179.03442	1.7
179.05652	0.7
180.04265	2.3
181.05022	0.6
181.12291	1.6
188.46336	0.6
190.02750	2.2
191.05693	3.2
193.05043	0.8
195.06631	3.7
196.02490	1.4
205.05038	2.1
205.07068	0.7
221.15439	3.1
223.06084	0.9
223.08183	0.7
226.78793	0.6
231.05156	0.6
239.16573	4.0
249.06163	6.3
261.92307	0.7
263.70557	0.6
267.07242	1.5
272.09042	0.7
313.03403	0.8
314.04376	1.1
327.07242	0.8
327.21942	3.0
329.06824	1.7
341.10837	1.2
371.11188	0.9
383.20532	2.1
401.21808	14.0
402.22028	1.2
444.81564	0.6
615.20801	8.3
616.20721	1.5
633.27997	0.9
651.28687	100.0
652.28796	13.2
652.38574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50633	0.7
53.92075	0.7
55.01874	3.2
57.03440	2.7
58.00595	1.0
59.01385	22.9
61.98833	3.3
69.03470	1.1
71.01389	38.8
71.55779	0.8
72.99310	2.8
73.02948	9.1
73.79050	0.8
75.00891	1.2
78.95884	0.8
83.01398	6.2
85.02959	19.4
86.00090	1.1
87.00880	2.5
88.98801	1.8
89.02455	8.7
92.74174	0.8
93.03475	2.1
95.01397	3.3
96.96015	3.1
97.02934	1.1
99.00878	4.3
99.04534	0.8
101.02448	24.6
108.02185	2.2
109.02962	0.8
111.00900	5.0
113.02461	10.4
117.05565	1.1
119.03520	2.7
119.05001	1.0
121.02958	1.3
124.04731	0.8
125.02471	1.5
129.01933	2.7
135.04512	0.8
137.02434	2.0
143.03520	1.2
152.01183	2.4
153.01863	0.9
159.02991	2.2
161.04558	4.6
163.03972	1.3
171.10309	7.8
173.00943	0.8
173.04556	1.8
191.05629	2.8
207.10335	0.9
229.02782	0.9
231.28833	0.8
327.29480	1.2
365.14941	0.9
403.54620	0.9
489.34393	18.5
490.34824	3.0
548.41644	0.8
607.36530	2.1
651.30609	4.3
651.39716	100.0
652.40131	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	651.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
56.87427	0.5
57.03449	3.5
58.00583	1.4
59.01385	23.7
60.76611	0.5
61.98831	1.9
67.01902	0.5
67.56362	0.5
71.01387	35.5
71.56291	0.7
72.99305	1.7
73.02949	10.7
75.00865	1.0
77.42836	0.5
83.01386	5.0
85.02451	1.0
85.02963	17.6
86.03265	0.7
87.00880	2.4
88.98802	1.4
89.02454	9.8
93.03460	1.9
95.01389	3.4
96.96025	2.7
97.02964	1.2
99.00874	3.1
101.02455	20.3
108.02165	0.6
111.00882	3.0
112.62912	0.5
113.02470	11.4
119.03535	3.8
121.02956	0.7
125.02449	1.0
128.03526	1.5
129.01938	1.9
135.04492	1.0
137.02437	1.7
143.03534	1.1
152.01173	0.5
159.03017	2.0
161.04558	5.4
163.04044	0.5
171.10268	2.0
173.04582	1.0
175.04016	0.6
177.15051	0.5
179.03500	0.7
179.05701	0.7
184.08438	0.5
190.02809	1.0
191.01923	0.5
191.05629	1.9
205.05115	0.7
216.37633	0.5
327.21527	0.9
489.34341	15.1
490.34918	1.5
609.34906	0.9
615.34277	0.7
651.39734	100.0
652.31769	0.7
652.40100	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	653.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
61.98843	1.5
63.02422	0.4
65.00338	1.1
65.03983	0.5
67.01907	0.5
67.08656	0.3
69.03422	0.3
69.20686	1.0
69.21111	1.6
71.01384	2.0
72.97514	0.3
72.99302	0.3
73.02957	0.6
74.99152	0.2
81.03452	0.3
83.01397	1.0
85.02959	1.2
87.00884	0.4
88.98833	0.5
89.02465	1.0
91.19343	0.2
93.03466	1.1
95.01398	0.4
96.96032	1.4
99.00834	0.3
101.02431	1.6
107.01404	2.1
109.02222	0.6
109.02964	9.1
113.02464	0.9
113.68391	0.3
116.92879	3.1
118.80355	0.3
119.03545	0.5
120.99696	0.3
121.02964	1.3
125.02458	0.5
129.01967	0.4
133.02969	8.5
134.03708	0.5
135.00890	1.8
135.04530	1.0
137.02478	1.2
139.00314	0.3
147.04552	0.3
149.02441	4.4
150.03168	0.5
151.00378	4.9
152.01160	0.4
153.01953	20.0
154.02284	0.6
161.02464	0.6
161.04506	0.6
163.04086	0.3
164.04773	1.5
165.01843	0.3
173.04546	1.0
173.05992	0.5
175.00372	0.8
175.03990	3.1
179.03389	0.4
179.05667	0.3
179.07185	0.5
190.02715	1.4
191.05664	0.7
193.05154	0.3
197.06096	0.5
198.03159	0.2
199.04033	2.3
201.01955	0.4
205.05103	1.2
205.69966	0.3
208.03642	0.3
211.13446	0.9
213.05473	0.5
215.03566	0.5
217.05072	1.6
223.04082	0.4
223.06068	1.2
223.08041	0.4
241.05107	1.1
243.02960	0.9
243.06601	0.4
256.03760	1.5
257.04568	0.6
265.07260	0.4
269.04486	0.4
284.03268	3.9
285.04071	100.0
286.04395	5.5
299.05487	1.4
309.03979	0.6
315.07281	2.6
327.05124	0.5
353.08820	0.5
357.39157	0.3
383.06152	0.9
429.08340	1.7
432.08856	0.3
447.09375	7.0
448.09787	0.5
491.10147	0.4
566.62079	0.3
586.59241	0.3
609.16199	0.6
653.15204	16.2
653.27386	0.8
653.39166	1.2
654.15570	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	653.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
61.98850	3.1
69.54520	4.8
71.01386	4.8
72.61824	0.7
73.02969	1.3
75.00886	1.2
79.01887	0.8
83.01422	1.6
84.53668	0.7
85.02978	3.1
87.00887	1.0
88.98857	1.4
89.02467	2.4
89.48316	0.8
93.03492	2.2
94.29105	0.7
96.96029	4.0
99.04556	0.9
99.92625	1.5
101.02471	1.9
103.01955	0.8
108.02206	1.5
109.02980	3.8
111.00883	0.7
113.02467	1.6
114.93457	0.8
116.92873	13.3
117.03519	1.1
118.98129	1.3
120.99657	1.0
121.02977	7.5
123.04525	0.9
127.00365	1.0
131.01422	5.4
132.02213	0.8
133.02968	23.9
134.03670	0.8
135.04570	3.4
137.02477	2.6
145.03001	0.7
149.02472	25.9
151.00320	0.9
151.04041	0.9
153.01964	1.9
161.02567	1.5
161.04594	1.0
163.00365	0.8
163.04041	2.3
164.04813	22.0
165.01965	2.4
165.05600	0.9
173.02481	4.1
173.04541	1.6
175.00394	15.2
175.04068	2.9
176.00778	0.8
177.01982	1.0
179.03561	1.5
179.07146	6.6
189.02003	0.8
190.02716	2.6
191.05554	1.6
197.06152	0.8
199.04068	2.0
201.01976	1.4
205.05119	2.1
209.06111	1.0
211.04044	0.8
213.05724	0.8
217.64067	0.7
223.06125	7.9
237.05586	2.7
243.06674	1.1
253.05206	1.8
255.06619	1.4
265.05099	3.2
265.16470	0.7
267.03110	3.3
269.04578	2.0
281.04462	2.8
284.03058	1.1
285.04102	4.3
291.02826	0.9
293.04526	1.1
297.03958	6.2
298.04697	3.7
299.05634	25.4
300.06128	1.0
309.04065	100.0
310.04376	8.1
311.05582	3.9
322.04791	2.3
323.05505	1.6
327.05118	53.1
328.05484	4.0
330.03845	1.7
337.03717	0.9
339.05035	6.9
341.06738	0.9
351.05045	1.9
354.03909	0.9
357.06186	16.0
358.06561	0.8
361.18665	1.1
369.06128	1.4
429.08289	68.7
430.08658	5.5
447.09335	70.5
448.09824	5.2
459.07278	0.8
489.12308	1.7
531.12646	0.8
533.11023	6.8
545.10602	2.0
609.16388	4.5
635.14240	6.5
636.14252	0.9
653.15045	25.1
653.26276	1.3
654.15607	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	653.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01389	12.1
60.99313	0.8
61.98835	7.8
65.00337	0.9
71.01399	8.6
71.34705	0.9
71.35047	1.6
71.44819	1.0
71.88828	0.9
72.99303	2.4
73.02950	2.5
75.00882	8.2
77.03951	1.4
81.03435	1.3
83.01390	2.6
83.04981	0.9
85.02964	6.8
87.00858	1.9
88.98814	3.5
89.02452	4.4
92.34471	0.9
93.03471	5.1
95.01406	1.5
96.96020	5.2
97.02959	1.4
97.19772	0.8
99.00863	1.5
99.81357	0.9
101.02447	5.2
107.01447	1.0
107.05044	1.0
108.02173	1.4
109.02950	3.4
111.00872	1.2
113.01689	0.9
113.02445	3.2
116.92899	4.3
117.03482	1.2
118.98114	1.2
118.99875	2.9
119.03577	1.8
119.05049	7.8
120.05332	1.4
121.02972	4.6
125.02440	3.2
129.01878	1.1
131.03482	1.2
133.02974	12.2
134.03732	2.2
135.04558	5.0
137.02480	5.6
137.03362	1.2
147.04556	1.8
149.02477	8.3
149.06131	1.3
150.03241	1.1
150.06845	1.3
151.00430	1.3
151.03999	1.3
153.01955	1.2
161.02448	4.1
161.04529	1.8
163.00346	2.2
163.04018	10.4
164.04733	2.5
165.01913	3.4
165.05560	1.6
173.04532	3.7
175.00368	4.0
175.03989	4.4
177.02014	1.0
179.03534	1.9
181.05084	1.3
183.04575	1.2
189.01962	1.2
190.02696	7.3
191.03378	2.7
191.05598	4.6
193.01387	2.9
193.05061	1.2
195.06505	1.6
199.04099	1.4
201.01907	1.7
205.05035	5.7
206.05457	1.4
209.11850	2.1
213.05537	1.3
217.05128	1.5
223.06128	4.0
226.02838	1.3
227.03569	1.8
235.90892	1.0
240.04260	1.7
243.02942	2.4
265.07278	1.4
269.04562	2.5
281.06699	1.5
284.03214	9.2
285.04077	8.3
297.04092	15.1
298.04846	9.9
299.02283	0.8
299.05594	15.6
300.05933	1.6
309.04172	1.3
311.05685	2.9
313.03525	2.3
313.07034	1.7
314.04044	1.5
325.03445	3.1
327.05115	100.0
328.05481	6.6
339.05011	3.2
341.06662	2.9
341.10367	1.2
343.04523	1.3
357.06201	20.1
358.06223	1.4
369.06018	2.1
411.07031	1.3
429.08453	6.5
445.08060	5.7
447.09381	12.6
476.09167	1.1
491.11957	8.3
491.33893	1.6
521.33270	1.5
565.32288	5.1
609.35284	1.2
615.20819	1.6
652.37366	1.2
653.14600	13.0
653.25446	3.1
653.37238	4.5
654.15900	1.3
654.37042	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	653.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05879	0.8
50.84032	0.9
52.60190	0.9
54.01323	1.0
54.40236	1.1
57.03456	1.4
59.01385	15.9
61.98838	3.8
63.08495	0.8
65.62462	0.8
69.34316	8.2
71.01394	16.5
72.97556	1.1
72.99335	2.0
73.02954	4.4
74.46069	0.9
83.01397	3.4
85.02962	10.0
87.00886	3.0
88.98795	2.6
89.02444	9.2
91.01917	12.3
93.03468	15.6
95.01407	2.4
96.96032	4.6
97.02953	0.9
99.00870	1.9
101.02476	10.4
104.39283	0.9
108.02180	18.6
109.02997	9.5
111.00895	1.0
113.02460	8.1
116.52715	0.9
116.92876	9.4
119.03516	3.5
119.04997	0.9
121.02980	3.0
123.00914	6.7
123.04499	1.2
124.01681	7.2
125.02451	1.2
133.02998	4.0
134.03740	2.8
135.00905	16.9
135.04535	6.4
136.01649	2.2
137.02466	25.2
139.04018	5.5
143.03505	2.3
145.03058	1.1
148.05399	1.2
149.02473	2.5
149.06123	1.2
151.00462	1.6
151.04053	2.8
152.01170	20.8
153.01962	11.3
161.02478	7.7
161.04553	7.5
163.04005	2.6
164.04764	1.6
165.05557	1.5
166.02728	2.9
167.03435	1.2
169.01532	1.1
173.04547	5.6
175.04013	1.9
178.02705	1.1
179.03537	5.1
179.05626	3.0
179.07089	1.4
181.05118	2.6
189.05597	1.1
190.02721	3.6
191.01947	1.3
191.05678	4.6
193.05124	1.5
197.06129	1.1
205.05064	2.3
209.08017	0.9
213.05544	2.2
223.06198	2.3
239.03464	1.7
243.06636	100.0
244.06969	4.6
257.04544	2.0
267.06863	1.2
271.06119	1.3
271.09958	1.2
272.06915	1.6
281.06717	6.3
287.09305	9.3
297.06229	3.0
299.01971	3.7
301.09406	2.9
314.04395	3.6
323.07733	1.3
329.06631	3.9
351.10944	9.6
357.08295	7.0
369.08252	7.3
371.11484	3.4
385.39944	0.9
405.12012	1.5
447.06815	1.6
447.12988	28.7
448.13367	2.3
491.16351	1.3
569.17072	2.7
630.88300	1.1
653.18713	4.3
653.27545	1.1
653.38855	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	653.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.9
59.01386	21.8
61.98827	6.5
71.01391	23.1
71.56342	1.4
72.97571	1.2
72.99314	2.6
73.02963	5.1
73.04487	1.1
73.27229	1.2
81.03474	1.2
83.01398	4.3
85.02962	11.8
87.00887	2.8
88.98814	2.3
89.02449	10.7
91.01902	12.2
93.03463	12.6
95.01407	4.6
96.96033	8.3
97.06606	1.1
98.95574	1.1
99.00894	3.0
101.02454	11.8
108.02195	23.6
109.02985	13.6
113.02447	9.8
116.92858	9.7
119.03526	2.5
119.05029	2.4
120.99685	2.5
121.02959	3.7
122.37724	1.0
123.00903	8.1
123.04550	1.5
124.01686	10.3
125.02444	2.6
129.01900	1.1
133.02968	3.8
134.03749	2.5
135.00894	16.7
135.04539	8.8
136.01633	2.4
137.02467	23.3
139.04034	9.3
143.03508	2.3
149.02446	4.3
151.00375	2.1
151.04053	4.9
152.01166	22.9
153.01952	13.3
159.03021	1.6
161.02463	8.9
161.04550	10.4
163.04013	3.3
164.04816	3.1
165.01897	1.3
166.02702	3.1
173.04671	5.5
175.00392	1.4
175.03963	2.0
179.03523	6.6
179.05659	5.3
179.07097	1.1
181.05078	2.6
189.05574	2.9
190.02779	3.9
191.02029	1.4
191.04076	1.4
191.05573	6.5
193.05107	1.5
195.06487	1.4
205.05066	3.2
211.04019	1.4
213.05652	1.8
215.07231	1.1
223.06181	2.6
225.05763	1.2
243.06627	100.0
244.06895	6.8
257.04578	1.7
271.06274	2.1
271.09509	1.3
272.06870	2.4
281.06714	7.8
286.08383	1.2
287.09329	8.4
297.06253	4.1
299.02118	3.2
301.09335	4.9
312.13678	1.2
314.04324	4.6
315.07321	2.5
323.07867	2.9
329.06631	5.5
351.10889	11.7
357.08255	10.9
369.08215	10.1
371.11493	4.5
402.66406	1.3
405.11768	1.9
447.13080	29.1
448.13321	3.3
463.12491	2.1
507.43399	1.2
549.28802	1.4
597.73004	1.2
599.30975	1.2
618.75177	1.3
653.18219	5.2
653.37042	3.9
654.17865	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	653.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46291	0.6
57.03450	0.7
59.01390	5.3
61.98814	1.1
71.01391	5.7
73.02940	1.9
73.47426	0.6
74.02462	2.8
85.02955	4.8
86.77509	0.7
88.98771	0.9
89.02450	2.7
93.03467	18.2
95.01427	1.6
96.95995	2.7
99.00887	0.6
101.02473	3.4
107.01381	1.0
108.02183	59.2
109.02972	31.8
110.03322	1.3
113.02422	2.4
116.03528	2.0
116.92865	4.1
118.98096	1.6
120.99641	0.8
121.02980	2.8
121.42142	0.6
123.00877	1.1
123.04539	1.2
125.02456	1.2
133.02983	2.1
134.03748	1.1
135.00882	3.1
135.04501	1.9
137.02454	43.3
138.02742	1.4
144.43787	0.7
149.02467	0.7
151.04012	2.7
152.01163	64.7
153.01955	40.2
154.02316	0.8
161.02464	1.0
163.03996	2.4
165.01936	3.4
173.04543	1.4
176.01147	2.0
177.01947	26.8
178.02475	0.7
186.68594	0.6
190.02696	0.7
190.68954	0.7
191.05574	1.0
193.05064	0.9
195.06609	0.6
209.04617	0.7
225.04118	1.3
281.06638	5.5
282.07086	0.7
315.07230	100.0
316.07477	4.2
339.07211	44.9
340.07544	2.5
383.06210	45.0
384.06595	3.7
401.07352	5.3
402.27124	0.8
505.13422	0.7
610.34650	1.1
653.17499	5.9
653.27661	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	653.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13126	0.2
55.29422	0.2
59.01386	1.2
61.98835	0.2
62.96416	0.6
63.73328	0.2
70.61520	0.6
78.95911	100.0
81.99686	0.2
128.53259	0.2
130.30128	0.2
149.00098	5.2
152.99614	0.3
154.88483	0.2
179.01149	0.5
205.16008	2.5
209.11815	0.6
224.01994	0.2
231.91110	0.2
238.44215	0.2
255.23219	0.3
277.21698	0.8
285.12640	3.4
355.16837	2.1
373.35040	0.2
385.17960	1.1
417.12344	0.3
417.33914	0.3
447.13412	5.5
448.13757	0.5
473.36240	0.8
636.58453	0.2
653.30157	52.2
654.30438	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	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56911	0.3
55.01894	1.4
57.03454	1.4
58.00598	2.4
59.01388	40.1
61.98845	0.8
68.99816	0.6
69.03465	2.1
71.01393	37.1
72.01740	0.4
72.99318	2.8
73.02959	6.2
75.00884	0.9
75.74048	0.2
76.01189	0.3
81.03453	1.9
83.01397	5.4
83.05048	0.4
84.50328	0.2
85.02959	8.4
86.00099	0.4
87.00887	9.8
87.04543	0.3
89.02457	32.9
90.02785	0.4
91.04010	0.6
93.03474	0.4
95.01404	2.8
97.02964	6.1
99.00894	2.2
99.04584	0.4
101.02457	30.1
102.02794	0.5
103.04026	0.4
109.02959	0.8
111.00893	0.3
111.04558	1.0
113.02471	14.7
115.04028	0.6
119.02668	0.5
119.03520	9.3
121.02993	0.8
121.43262	0.3
123.00895	0.5
124.01672	0.5
125.01542	0.7
125.02469	13.4
126.02824	0.3
127.04047	0.3
131.03549	1.9
133.05093	1.0
135.04581	0.4
136.16010	0.3
139.04053	1.2
141.01953	1.0
143.03522	6.4
149.02461	0.3
149.04597	1.2
153.02039	0.4
161.04579	7.3
167.03529	0.8
169.05074	0.4
171.02992	0.5
177.46623	0.3
179.05623	6.3
185.04585	0.7
190.74957	0.2
199.06197	0.5
203.05655	0.4
217.07207	1.4
219.05276	0.9
221.06743	2.4
229.32979	0.3
235.08257	14.4
236.08492	0.3
237.22198	0.4
245.06718	1.0
253.09354	3.3
255.23331	100.0
256.23682	6.8
263.07748	1.9
269.24927	0.6
277.09390	0.8
287.07825	3.5
305.08853	4.3
323.09833	1.8
361.11371	0.4
379.12607	1.4
389.08176	0.3
397.13547	79.0
398.13867	5.2
415.14621	30.3
415.18814	0.7
416.15057	1.9
464.33951	0.3
624.34802	0.3
653.37878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22345	0.3
50.34088	0.3
55.01882	1.3
57.03455	0.9
58.00602	2.2
59.01388	39.7
60.01715	0.3
61.98843	1.0
67.01895	0.3
68.99825	0.5
69.03464	1.7
70.87440	0.6
71.01392	34.6
72.01745	0.3
72.99318	2.8
73.02957	6.5
75.00881	0.6
81.03458	1.4
83.01405	4.8
83.05053	0.3
85.02963	7.5
86.00109	0.4
87.00885	8.8
89.02456	32.8
90.02811	0.5
91.04035	0.6
93.03487	0.5
95.01408	2.5
97.02964	6.1
99.00891	2.5
99.04498	0.5
101.02457	31.0
102.02815	0.6
103.00366	0.3
109.02988	0.5
111.00920	0.5
111.04536	1.2
113.02463	13.5
115.04020	0.7
119.03519	10.3
123.00945	0.4
123.04498	0.5
125.02465	12.2
127.03973	0.6
131.03520	1.4
133.05101	1.2
139.04037	1.1
141.01909	0.4
143.03516	6.9
149.04572	1.4
161.04578	6.9
167.03497	0.8
169.05113	0.5
171.03087	0.4
179.05627	6.8
179.08121	0.4
185.04657	0.7
203.05682	0.6
206.43227	0.3
217.07185	1.4
219.05074	0.5
221.06662	2.5
235.08252	14.5
236.08517	0.5
237.22224	0.3
245.06705	1.1
253.09236	3.1
255.23326	100.0
256.23660	7.0
263.07825	1.8
269.24951	0.7
277.09311	0.9
287.07779	3.5
288.08163	0.3
305.08798	4.4
323.09888	1.7
361.11249	0.6
379.12555	1.0
382.60510	0.3
397.13538	85.6
398.13824	5.5
415.14606	34.3
416.14828	2.5
437.81870	0.3
555.76007	0.3
577.26654	0.4
653.37598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.9
61.98832	17.2
70.22019	10.1
71.01385	8.2
78.95943	5.2
79.95712	3.6
85.02981	4.2
89.02457	4.2
96.96026	22.3
101.02459	4.6
113.02474	2.9
119.05012	2.8
120.45383	2.4
152.99611	2.4
154.02997	2.4
160.01631	2.4
163.04066	3.1
175.04114	3.2
197.59641	2.2
205.21211	3.0
207.10310	3.7
209.11894	3.0
258.80759	2.4
417.22882	3.2
461.08459	2.6
530.27722	3.0
635.30701	3.0
653.33234	5.8
653.44440	100.0
654.45056	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	655.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97114	0.6
57.03449	2.8
59.01387	7.7
61.98835	11.9
63.02421	1.0
65.00330	15.8
70.58527	0.9
70.58861	1.1
71.01384	7.8
71.73624	0.6
72.99314	2.0
73.02970	1.3
75.00882	1.1
81.03504	0.6
83.01394	8.2
85.02953	7.5
87.00920	1.4
88.98825	1.9
89.02465	2.4
93.03480	6.1
95.01419	0.8
96.96039	4.2
99.00920	1.3
99.04517	0.6
101.02463	3.4
107.01399	20.6
107.05029	0.7
108.02219	1.1
109.02975	2.3
111.00904	0.9
113.02445	3.4
116.24404	0.6
116.92894	1.8
118.33276	0.6
119.03534	0.8
119.05055	1.6
121.02985	2.3
123.04511	0.7
125.02464	8.6
125.03319	0.7
133.02963	4.8
133.43408	0.6
134.03763	3.1
135.04539	71.8
136.04893	2.5
137.02470	11.2
143.03484	0.7
147.02960	1.0
149.02443	4.4
151.00383	100.0
152.00749	2.5
153.01901	0.7
159.04558	1.4
160.01646	0.7
161.02467	11.2
161.04526	1.2
163.03993	2.3
164.04826	3.5
165.02040	0.6
169.01384	0.8
173.00906	0.6
173.04597	4.7
174.03181	0.6
175.00392	2.7
175.04066	0.9
176.14934	0.6
177.01897	3.3
177.05534	0.7
178.02698	1.4
179.03499	1.6
179.07132	1.2
187.03986	0.6
190.02739	7.9
191.01984	2.4
191.03601	1.0
191.05583	2.7
201.05649	1.0
205.05078	12.3
206.05444	0.9
209.11803	1.2
223.06129	4.7
227.03593	0.7
241.04962	0.6
243.06607	4.6
251.05661	0.7
285.03998	2.5
286.04358	2.5
287.05646	41.8
288.05875	2.1
313.10641	0.9
367.10342	11.9
405.24945	0.7
431.09705	1.1
449.10971	7.2
450.10907	1.0
463.19901	0.9
503.15833	3.8
529.13477	5.8
553.58923	0.6
593.36920	0.9
625.41278	0.9
637.25024	1.0
655.16510	21.7
655.32629	5.1
656.16669	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	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13514	1.3
53.21125	1.2
59.01386	100.0
61.63946	1.4
61.98835	9.2
70.69933	1.6
70.70304	3.6
78.47243	1.2
86.13615	1.2
96.99329	2.6
113.27894	1.6
141.01717	76.1
142.05170	1.5
185.01552	1.3
199.24774	1.4
206.43498	1.2
275.06201	3.9
277.21713	3.4
300.83862	1.4
339.00061	1.5
359.21921	2.1
391.19849	1.8
535.27808	2.0
653.70654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95823	1.2
59.01385	100.0
61.98827	4.8
71.01375	1.9
71.19150	3.2
85.01450	1.3
96.99312	5.4
97.02963	4.5
101.00958	1.6
113.00945	2.2
113.02309	1.5
117.00468	1.4
126.98878	1.5
141.01717	59.5
142.05133	2.5
162.01956	1.3
172.16806	1.4
173.03050	1.9
230.54939	1.3
257.05261	1.6
275.06204	10.4
277.21671	4.5
317.07199	3.4
335.08398	1.8
359.21320	1.5
391.19659	6.2
535.27612	15.1
536.27698	2.1
595.29639	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	657.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
61.98829	4.5
69.90914	0.5
69.91231	2.9
71.01389	3.3
72.99354	0.6
73.02972	0.8
74.60590	0.4
74.99112	0.7
76.03767	0.4
78.95919	0.6
79.95740	0.5
85.02958	2.8
87.00878	1.0
88.98798	3.3
89.02465	2.0
90.29322	0.5
90.98614	0.6
93.03466	2.8
95.01443	0.5
95.05058	0.6
96.96024	8.5
97.06562	0.5
98.20685	0.6
99.00899	0.6
100.54443	0.5
101.02475	1.8
106.04288	2.6
107.05043	23.9
108.02180	1.2
108.05305	0.7
109.02964	1.0
111.00891	0.8
113.02454	1.3
116.31898	0.5
116.92851	1.2
117.03464	0.7
118.98086	0.5
119.05037	0.7
120.99711	0.7
121.02976	1.1
123.00928	0.6
123.04526	1.8
125.02509	0.7
131.39729	0.5
133.03020	0.7
134.03741	5.0
135.04543	69.5
136.04887	2.5
137.02448	2.2
149.02403	0.6
151.00404	0.8
152.01250	1.0
160.01701	0.7
161.02463	3.5
161.04541	0.9
163.04034	0.8
165.01982	1.0
165.05585	24.0
173.04552	2.2
175.03963	0.9
179.03569	0.8
185.02469	0.9
190.02654	0.6
191.05626	3.1
195.06625	1.3
199.03911	0.6
202.86406	0.5
203.03577	0.8
205.05159	0.7
210.02171	0.5
226.02733	2.0
227.03523	4.7
229.01491	1.1
242.02377	0.6
243.02988	2.7
270.01691	1.9
271.02493	11.3
272.02737	0.8
285.04083	5.3
299.01999	31.0
300.02292	1.7
313.03531	10.1
314.04349	36.0
315.04599	3.2
328.05948	1.5
329.06686	100.0
330.06976	7.0
343.04559	0.7
447.11307	0.8
448.79401	0.6
461.07159	3.1
476.09897	3.0
491.12021	11.2
492.12357	0.6
495.12988	30.3
496.13226	3.3
551.61652	0.6
591.68878	0.6
657.32849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01382	6.1
61.98841	6.1
69.24007	7.5
71.01388	4.6
72.99315	1.1
83.01382	1.1
85.02963	2.9
87.00880	2.3
88.98806	2.5
89.02433	1.7
93.03482	4.2
95.01398	1.1
96.96037	7.3
97.02994	1.0
99.00871	0.9
101.02466	2.5
106.04248	2.3
107.05039	26.0
108.02200	1.9
109.02982	1.8
111.00867	1.4
113.02421	1.1
116.92874	2.7
119.05005	0.8
121.02942	2.0
121.74569	0.7
123.04530	1.9
125.02480	1.4
134.03763	7.4
135.04538	92.2
136.04863	2.2
137.02454	3.4
145.02946	1.9
151.00600	2.7
153.01874	1.6
161.02420	4.4
161.04584	0.9
163.04010	0.9
165.05592	24.3
166.05997	1.1
173.04538	4.5
175.04039	0.7
177.01920	1.1
179.03523	1.4
190.02663	0.8
191.01923	1.0
191.05617	4.9
191.98228	0.7
193.05098	1.2
195.06642	1.9
203.03560	1.3
219.67743	0.8
223.06070	1.6
226.02768	1.6
227.03508	5.1
229.01364	1.2
243.03053	2.1
250.19228	0.8
270.01614	2.1
271.02490	14.0
283.05969	0.8
285.03989	5.1
299.01990	42.0
300.02509	2.2
313.03638	7.7
313.06906	1.4
314.04340	43.1
315.04630	3.7
328.05899	2.1
329.06665	100.0
330.07025	7.3
360.39886	0.9
360.68387	0.8
391.19904	0.8
447.10925	6.7
461.07526	2.3
476.09650	2.1
481.21100	1.1
491.11884	8.2
495.12976	71.1
496.13422	6.9
657.21692	1.2
657.32977	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	657.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24869	0.6
59.01363	0.9
71.01392	2.1
71.54311	0.9
73.02921	1.2
85.02965	1.9
90.81993	0.7
93.03447	1.2
108.02184	46.7
109.02991	16.7
123.00942	0.9
126.56833	0.6
135.04504	1.0
151.03999	1.8
152.01166	46.8
153.01965	19.2
163.04010	1.5
165.01872	2.1
173.04619	0.9
191.05603	2.4
228.72203	0.6
235.57405	0.7
315.07245	100.0
316.07642	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	657.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60403	0.3
55.67138	0.3
69.49695	3.0
71.01389	1.3
81.03471	0.4
85.02956	0.8
95.01380	0.7
96.96031	0.6
98.19952	0.8
101.02464	0.6
108.02182	47.4
109.02985	14.8
113.02437	0.5
121.02979	0.6
123.00874	0.5
123.04518	0.4
151.04077	0.8
152.01163	44.8
153.01956	17.4
154.02243	0.5
163.04025	0.7
165.00688	0.4
165.01953	1.4
181.05009	0.6
289.02032	0.4
299.05319	0.4
315.07236	100.0
316.07532	4.8
318.75406	0.4
394.99503	0.4
446.10043	0.5
453.51599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71272	0.9
59.01395	5.0
59.18503	0.8
60.13621	0.9
69.52562	2.4
69.52985	3.3
71.01402	1.4
79.41051	0.8
82.67657	0.9
83.22260	0.9
85.02963	2.0
89.02502	1.2
93.03498	1.5
101.06086	2.5
102.06416	1.1
113.02479	0.9
123.00853	1.4
124.01669	2.4
135.04547	1.8
137.02431	2.1
139.04045	4.7
145.02960	2.3
147.04460	2.0
151.00392	12.1
152.01103	1.2
153.05565	1.7
161.02473	1.5
162.03284	1.2
163.04092	1.3
164.00012	0.9
166.02736	38.3
167.03413	2.5
173.02417	2.4
173.04539	1.3
174.03209	1.9
175.04028	6.5
176.04784	1.5
177.05588	2.7
178.06393	1.4
179.03560	0.9
181.05092	63.3
182.05389	3.0
188.04900	1.8
189.05527	2.0
190.06378	5.2
191.03969	0.8
191.05612	4.3
191.07156	2.0
192.04254	1.0
193.05077	5.0
205.08675	6.2
207.06659	1.8
208.07378	5.8
223.09792	15.6
269.04651	2.3
280.03177	1.0
284.06882	2.0
297.04129	11.1
298.04019	1.0
309.07666	1.8
312.06421	15.3
327.08774	27.7
328.09027	2.0
342.11121	40.4
343.11383	3.9
351.13040	1.9
352.13397	1.5
353.13611	1.1
357.13477	68.2
358.13895	6.6
375.14539	16.7
376.14951	1.6
387.14819	1.4
402.13046	1.2
405.15591	100.0
406.15924	7.9
417.15463	9.0
418.15875	1.2
435.16669	11.3
436.17053	1.7
495.12146	1.4
496.07446	1.0
552.78790	0.9
567.21045	1.7
611.94470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01387	100.0
61.98854	1.0
67.53950	0.8
69.23914	6.1
69.24320	2.4
71.01389	3.7
85.02972	3.3
87.00885	1.3
88.98824	2.7
89.02478	2.5
93.03469	3.4
96.96024	3.1
101.02464	1.6
109.02972	1.6
111.01010	1.1
113.02414	1.0
116.30904	0.9
120.59727	0.9
121.03002	1.0
123.04478	1.1
133.02985	1.5
135.04488	1.9
137.02473	8.2
138.55545	0.9
149.02504	0.9
151.04021	1.7
161.02480	5.8
161.04646	1.5
165.01944	36.0
165.05595	1.6
166.02441	1.5
173.04579	3.2
176.04799	3.0
179.00987	0.9
179.03519	23.0
180.04295	30.7
181.05037	2.4
190.68138	0.9
191.05603	6.9
191.07030	1.1
194.05838	11.6
195.03043	1.6
195.06647	48.2
196.06905	2.3
209.08200	26.7
210.05328	7.8
225.07709	81.9
226.08040	4.0
245.09210	1.0
248.87570	1.0
281.27759	0.9
325.07086	1.0
327.05099	4.8
329.10242	1.7
357.09735	3.1
372.12234	5.2
387.14551	29.7
388.14951	2.4
435.16620	21.7
436.16797	1.6
447.09454	2.5
606.42999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	72.4
61.98836	7.3
71.01387	10.1
71.56258	1.2
72.99321	1.0
73.02938	1.0
74.02478	2.1
74.99113	0.9
83.01413	0.8
85.02951	3.8
87.00890	1.7
87.30811	1.1
88.98156	0.8
88.98824	3.2
89.02454	8.7
93.03459	10.0
96.96036	5.0
98.84840	0.8
101.02451	4.6
109.02959	1.1
111.04532	1.2
113.02482	2.6
118.98089	3.1
119.03502	4.0
119.97918	1.0
120.99698	1.7
121.02985	2.2
125.02452	1.5
134.03801	1.3
135.04529	2.6
135.35075	0.9
137.02460	17.2
143.03455	1.0
150.53644	1.1
151.04071	2.2
152.01218	1.9
153.01974	1.1
161.02493	5.7
161.04558	1.8
165.00536	1.9
165.01949	38.6
165.05618	1.4
166.02454	1.2
173.04585	5.1
176.04791	3.4
177.01923	4.2
179.03514	16.8
179.05656	2.1
180.04301	31.0
181.04825	1.4
191.05617	5.8
191.07162	1.8
192.04308	2.8
192.05942	1.0
193.05141	1.0
194.05852	12.5
195.06644	51.4
196.06978	1.8
203.08232	2.4
207.06670	3.2
209.08215	30.6
210.05388	9.2
210.08514	1.8
225.07709	100.0
226.08110	3.7
229.71355	1.1
245.09323	7.4
387.14276	2.2
435.16684	7.4
525.34790	0.9
633.35223	1.0
656.38245	1.3
657.23651	1.0
657.39520	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	657.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	4.6
59.01387	100.0
60.99317	1.3
61.98835	6.6
65.45500	1.5
69.19122	16.3
71.01392	71.9
72.99310	5.3
73.02953	3.1
74.02498	2.3
74.99104	2.1
75.00887	2.5
83.01387	2.9
85.02961	15.2
85.93736	1.3
87.00867	5.1
88.98827	3.8
89.02454	91.9
91.24408	1.3
93.03471	6.0
93.19734	1.4
95.01395	4.3
96.01713	1.3
96.96048	8.4
101.02457	30.1
108.02168	2.2
108.46404	1.4
109.02988	1.9
113.02477	24.4
116.92889	1.6
119.02662	2.0
119.03512	34.6
121.02989	1.7
123.00791	1.4
125.02428	1.5
126.38726	1.2
129.97597	1.3
131.03525	3.5
134.03757	1.8
135.04552	5.3
137.02449	7.8
138.03310	1.2
140.68854	1.5
143.03500	7.6
143.34265	1.3
149.02512	2.1
149.04538	4.3
152.01175	2.0
161.02475	2.1
161.04561	9.4
165.05498	1.9
173.04547	5.4
177.01978	1.7
179.03456	3.5
179.05647	31.6
191.05635	7.0
195.06665	2.3
209.11813	6.2
210.66185	1.9
227.12753	1.9
372.13071	1.5
389.45450	1.7
572.02313	1.5
655.20026	1.6
657.18781	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	657.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
57.75938	3.1
59.01388	98.0
61.98829	14.8
62.90473	3.5
64.00487	3.5
70.23083	5.3
70.23456	10.1
71.01391	77.0
72.99316	7.7
74.02470	3.9
75.00877	5.2
75.32964	2.9
81.07269	3.1
83.86675	3.5
85.02961	19.8
87.00874	8.3
88.98813	13.4
89.02455	100.0
93.03498	12.9
95.01414	4.5
96.96022	30.0
101.02465	32.8
109.02968	4.1
113.02477	32.9
116.07033	3.2
116.92900	3.3
119.03528	35.5
120.99686	4.9
121.03028	4.2
131.03474	4.5
133.03070	3.4
135.04558	7.1
136.20616	3.2
137.02470	12.1
138.02829	5.2
143.03477	7.5
161.04552	10.6
173.04588	12.2
179.03525	6.9
179.05624	40.8
190.02725	3.5
191.05615	21.3
193.05162	4.0
201.72440	3.0
244.55345	3.6
343.93948	3.2
345.64017	3.8
381.05798	4.4
447.45157	3.3
495.12378	3.5
549.83148	3.2
657.17188	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	657.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92038	1.5
59.01386	17.4
61.98828	6.7
71.01380	11.5
71.56794	2.3
74.01501	1.5
78.95878	2.2
80.02666	1.4
83.05020	3.0
84.06725	1.6
85.02950	4.6
85.06590	1.4
87.00869	2.6
89.02462	8.4
93.03465	5.5
95.01401	1.4
96.96024	7.4
97.02937	1.7
97.06575	4.3
99.00918	1.4
101.02446	8.6
108.12870	1.4
109.06612	1.4
111.08245	1.7
113.02442	4.0
119.03577	1.8
119.05075	1.6
125.09729	12.3
131.07635	1.4
135.04510	1.6
137.02399	4.4
141.20724	1.7
151.04036	1.8
160.51018	1.4
161.04636	2.2
163.04057	2.2
165.01962	1.7
171.10286	11.3
173.04601	2.8
181.12436	1.3
183.13890	1.8
185.11708	1.5
190.02789	2.9
191.05583	2.5
205.16008	2.9
207.10156	1.9
209.11833	21.4
211.13417	32.0
212.13763	1.6
213.15002	3.2
215.14421	2.0
225.11327	3.0
227.12888	3.8
231.13963	2.3
233.15475	48.6
234.15845	3.6
249.14969	6.7
251.16405	2.0
253.09315	5.4
329.06586	2.4
331.26352	4.0
341.24722	2.1
367.22937	2.0
385.23953	10.9
403.24875	22.5
404.25061	1.7
421.26096	12.7
423.38950	1.6
453.97720	1.6
509.33359	1.7
613.38800	2.0
621.30011	2.4
639.33899	45.1
639.78021	1.5
640.34277	5.7
657.34906	100.0
658.35193	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	657.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
58.15050	1.1
59.01384	18.6
61.98840	8.8
69.03475	1.5
70.56276	2.8
71.01387	11.2
76.46394	1.1
81.03460	1.6
81.59930	1.3
83.01396	1.9
83.05037	8.1
85.02959	4.4
87.00865	2.4
88.98871	1.4
89.02452	6.0
93.03449	4.2
95.01399	1.4
96.96033	11.6
97.02967	1.1
97.06596	1.5
101.02450	9.1
107.05032	1.3
109.06621	2.8
111.04465	1.4
111.08137	4.3
113.02442	5.3
119.03482	1.8
119.05035	2.8
123.00939	1.3
125.02451	1.2
125.09715	5.6
128.35886	1.1
137.02443	3.5
161.04553	2.3
161.06293	1.2
163.07504	1.3
171.10295	23.0
173.04526	3.1
183.13954	1.9
185.11732	1.7
187.14915	1.6
190.02917	1.4
191.05624	1.7
205.05032	1.9
205.16005	2.2
207.10257	3.3
209.08118	1.3
209.11830	29.4
210.12195	6.7
211.13474	17.4
221.15526	2.4
225.11328	2.0
227.12944	1.3
231.13902	2.2
233.15503	14.1
239.16568	1.5
244.74818	1.2
249.14981	9.4
253.09329	5.9
257.17502	2.1
258.45175	1.7
259.20520	1.4
281.08856	1.2
359.26001	1.5
367.22659	2.5
375.25549	1.8
385.23718	4.9
403.24930	17.3
404.25146	2.5
421.26111	15.5
422.26285	3.0
495.36768	2.3
579.34924	2.1
639.34064	8.8
640.33881	2.0
657.12280	4.2
657.34894	100.0
658.35376	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	657.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37309	0.4
57.03438	1.0
59.01386	5.9
61.98835	4.3
71.01387	5.1
73.02954	1.3
75.00818	0.5
79.95751	0.8
81.03452	0.6
83.01383	0.9
83.05056	0.5
85.02953	3.2
87.00895	1.3
88.98853	0.5
89.02450	3.0
91.31078	0.4
93.03460	1.4
95.01369	0.6
96.96012	3.3
97.02951	0.6
99.04542	1.1
101.02436	3.4
107.05032	0.6
108.02217	0.4
109.02933	0.8
111.00874	0.9
111.04497	0.5
113.02500	2.1
119.03514	1.0
121.03001	0.7
121.06590	1.0
122.03723	0.9
122.06140	0.6
123.04559	0.7
125.02461	1.4
127.11330	0.6
134.03761	0.5
135.04536	2.9
136.05313	25.8
137.02455	0.9
137.06041	1.3
141.20869	0.4
147.08177	0.9
149.02409	0.8
149.06090	7.7
150.03236	0.6
150.06885	16.7
151.04086	0.6
151.07578	0.8
152.07188	0.5
155.10875	0.5
161.04536	1.6
161.09624	0.4
162.06870	2.4
163.07668	4.4
164.08432	5.3
165.05566	0.5
165.09227	12.1
167.03476	1.1
173.04535	1.2
178.10049	0.8
179.03551	0.6
179.05592	1.1
179.07082	0.9
179.10794	4.7
190.02699	1.1
191.05617	1.1
197.04564	0.7
205.05038	0.7
209.11839	3.0
211.13396	3.8
211.52466	0.4
214.12357	1.1
223.06189	0.5
227.12836	0.5
228.67934	0.4
229.18684	0.6
237.09747	0.8
241.09917	0.7
242.10594	0.7
242.46896	0.4
257.12933	4.5
269.10376	1.8
281.21695	0.5
285.89981	0.4
301.11945	5.1
302.12378	0.6
305.08862	1.1
313.23810	0.6
314.04367	0.5
315.21774	3.1
329.06525	0.7
329.23373	4.7
337.09354	3.2
351.10901	3.2
383.17136	0.5
416.29422	0.8
431.31665	1.1
434.30453	3.7
435.30103	0.6
445.07916	0.7
448.32037	1.4
449.32706	11.9
450.33231	1.1
452.22324	0.6
463.55423	0.4
476.31418	1.2
477.32422	3.7
494.32269	3.5
495.33136	27.7
496.33603	4.5
537.17383	0.6
597.35840	0.5
639.37134	0.6
657.38623	100.0
658.39020	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	659.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.9
61.98830	2.3
63.96243	1.3
65.33189	0.6
69.09847	0.6
71.01396	6.2
71.12865	1.1
73.02950	1.6
78.95908	5.2
78.98595	4.7
79.95755	5.7
80.96529	51.5
81.03474	0.7
85.02969	2.2
87.00882	1.2
94.98093	13.0
96.96034	1.1
96.96952	0.8
97.02964	1.0
99.00926	0.7
101.02426	1.8
106.98093	2.2
122.97600	4.5
125.02457	2.2
127.04044	0.8
132.58649	0.7
134.97598	2.6
136.99129	1.4
141.01709	5.6
148.99152	4.5
152.98592	4.6
152.99640	1.2
162.95531	0.7
164.98627	10.0
167.00255	0.6
171.00598	1.2
182.99724	1.4
206.99696	2.0
225.00755	16.2
243.01857	1.6
276.50049	0.6
277.21701	2.6
279.23157	0.7
299.04440	8.5
381.03275	1.8
431.21793	1.0
490.56662	0.6
554.89185	0.7
577.26923	100.0
578.27295	14.7
578.36407	1.0
599.24194	1.1
659.26074	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	659.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62151	2.4
58.77527	2.6
59.01379	6.9
61.98822	8.9
71.01389	7.4
78.95918	10.8
78.98607	4.5
79.95743	8.5
80.90495	2.9
80.96529	49.8
85.90418	2.7
87.00912	3.0
93.50428	3.6
94.98090	11.0
96.96046	15.9
101.02429	4.0
107.37572	3.2
122.97620	5.0
125.02467	3.6
134.97635	3.6
147.58760	3.1
148.99129	6.8
152.98540	6.6
164.98659	8.4
171.00633	7.4
196.59584	3.2
225.00708	15.3
274.82584	2.9
299.04385	6.9
305.76526	2.9
387.25342	4.5
445.16290	3.3
577.26862	100.0
578.27356	13.2
623.34491	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	659.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
59.01390	3.6
61.98840	3.3
68.99594	0.6
69.03472	0.6
71.01391	4.0
78.95928	0.8
79.95767	0.7
80.96513	1.1
83.05045	2.8
85.02957	1.9
87.00887	0.9
89.02455	2.7
93.03454	2.1
95.05028	0.5
96.14077	0.5
96.74133	0.5
96.96023	7.8
101.02441	2.7
111.07041	0.4
112.98571	1.1
113.02448	2.4
119.03511	0.8
129.40894	0.5
161.04546	1.5
163.11278	1.5
165.12845	1.5
169.12331	1.4
171.10272	0.5
173.04584	3.7
173.05991	0.7
179.05710	0.6
183.13925	10.8
187.07678	0.7
191.05591	3.0
191.10735	0.8
193.12263	1.5
193.21977	0.6
195.13882	4.6
209.11850	42.9
210.12213	2.7
211.13411	100.0
212.13704	4.8
213.14981	40.1
214.15370	1.9
215.07164	0.7
227.12946	4.4
230.80566	0.5
235.08357	1.0
253.09315	13.5
344.16095	0.6
405.26593	2.2
438.21155	0.6
441.22635	0.6
447.22406	8.7
449.20114	0.6
471.15311	1.3
485.21820	0.6
641.35333	4.0
659.34052	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	659.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
61.98831	0.9
67.80643	0.2
69.03467	0.5
70.85120	0.3
70.85484	0.5
71.01385	2.2
73.02943	0.5
79.95741	0.6
80.96524	0.4
83.01385	0.2
83.05045	0.4
85.02972	0.7
89.02454	1.5
89.67203	0.3
96.96030	2.2
100.61161	0.2
101.02446	1.8
102.66092	0.2
113.02457	1.1
119.03498	0.3
155.10762	0.3
161.04567	0.9
167.14430	0.5
173.04559	0.8
183.13919	6.6
191.05605	0.4
193.12398	1.9
209.11885	1.8
210.12131	0.3
211.13408	100.0
212.13733	4.9
213.14981	1.7
227.12885	0.3
235.08215	0.6
253.09311	7.0
319.56506	0.3
341.24399	0.2
343.26288	0.3
347.17126	0.3
361.27502	0.3
381.30829	0.3
387.25424	0.6
405.26218	1.4
447.22382	9.8
448.22675	0.6
471.15405	1.2
641.35406	5.7
642.36115	0.7
659.28656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01722	0.8
61.98834	2.7
66.76407	0.4
70.19631	1.4
70.20005	0.9
78.95918	2.6
98.20042	0.5
119.39497	0.5
152.99654	1.9
221.80063	0.5
279.23468	1.1
309.64545	0.5
503.41748	0.5
659.35889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87965	0.7
56.16134	0.7
57.85181	0.7
59.01386	100.0
61.74681	0.8
61.98843	3.9
68.83451	0.8
69.49059	2.6
69.49486	2.9
77.83784	0.8
78.95902	8.2
85.04436	0.8
89.08991	0.8
95.94566	0.8
96.97003	0.8
98.19873	0.9
152.99580	2.6
225.11401	1.5
259.33939	0.9
279.23303	2.1
429.97678	1.0
581.39709	0.9
659.35327	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	659.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89741	0.3
55.99131	0.3
59.01389	100.0
60.01737	0.6
61.98841	2.6
76.83821	0.3
78.95934	0.7
95.91283	0.4
102.64024	0.4
279.23465	1.0
311.22348	0.4
553.58160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.5
58.48236	0.7
58.87174	0.8
59.01389	10.9
61.98831	4.3
67.01901	1.5
69.25773	2.3
69.26189	4.7
71.01394	7.5
73.02962	1.7
78.95945	0.8
82.95437	0.9
83.01412	1.8
85.02963	9.1
87.00893	1.9
88.98812	1.5
89.02453	6.4
93.03464	3.6
95.01403	0.8
96.96023	14.4
98.29729	0.7
99.04488	1.1
101.02451	5.8
108.02171	1.5
109.02943	2.6
111.00917	1.4
111.04545	1.0
113.02445	3.3
119.03521	2.5
119.04966	1.1
121.02992	1.1
123.00850	1.3
124.01670	1.1
125.02441	1.8
129.01985	1.7
133.02966	1.4
134.03697	1.4
135.04541	5.7
137.02460	21.7
139.04037	1.2
145.02980	1.4
147.03098	1.1
147.04538	2.6
148.83836	0.9
149.02452	0.8
150.03197	0.8
151.00386	11.6
151.04012	1.8
161.02460	3.1
161.04538	0.8
163.04018	1.7
164.01152	1.1
165.01953	100.0
166.02727	26.8
167.03255	0.8
173.04604	5.0
174.03310	1.3
175.02502	1.2
175.04008	10.8
176.04727	1.0
177.01961	1.5
178.02737	0.8
178.78717	0.8
179.02071	1.5
179.03514	17.2
179.05333	1.2
179.05611	1.1
180.04312	56.2
181.05093	76.7
182.05493	2.7
182.59581	0.7
189.05730	1.2
190.06378	8.3
191.01968	3.0
191.05589	8.1
191.06848	0.8
192.04298	0.9
193.05075	5.5
194.05894	3.7
194.75563	0.8
195.06651	73.3
196.07008	1.9
205.05101	2.0
205.08727	9.9
208.07402	2.5
209.03012	2.7
209.08154	1.4
210.05362	11.8
223.09827	7.3
225.07709	71.3
226.08037	3.4
241.05254	0.9
267.06625	0.8
269.04611	1.2
297.04105	2.4
312.06268	2.5
327.08664	4.2
335.22861	0.7
342.11118	4.8
343.11227	1.2
357.13507	12.2
359.11325	1.7
375.14493	3.0
405.15451	9.2
406.15973	0.9
417.15805	1.3
461.22437	0.9
510.88684	0.8
583.21783	2.2
584.21368	0.9
651.87048	0.9
661.25415	2.5
661.35706	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	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88984	1.2
57.03450	3.2
59.01385	13.3
61.98824	6.5
71.01381	10.7
71.57017	1.9
72.99281	1.5
73.02954	3.0
81.03458	1.9
83.05033	3.8
85.02960	17.3
87.00867	4.6
89.02435	6.2
93.03475	12.1
93.03982	2.2
96.96027	57.1
101.02438	7.1
109.02945	3.1
111.00897	3.0
111.04530	3.8
113.02464	5.8
119.03471	1.8
125.02433	1.9
125.09750	2.2
127.04046	6.8
129.02022	1.3
130.04239	1.8
134.03720	4.0
135.04552	2.5
137.02470	3.4
146.03725	3.7
146.67223	1.5
155.03502	4.2
158.03732	3.7
159.04497	12.6
160.05255	3.8
161.02486	8.8
171.04543	1.7
171.10283	7.9
172.05295	5.0
173.04543	13.0
173.06065	8.0
174.03166	2.2
174.06941	8.8
175.03955	1.7
175.07414	1.5
176.04793	1.7
179.03519	2.2
185.06047	2.2
187.04004	2.7
187.27956	1.6
188.04903	1.8
189.05605	2.3
191.05630	97.6
191.98964	1.3
192.06023	2.4
197.06033	3.5
197.11804	5.9
199.04027	1.7
199.07689	1.7
199.09648	1.5
201.11308	3.6
202.02702	2.5
203.03506	1.6
204.04370	1.7
209.11792	4.2
211.07680	3.2
212.04860	3.4
213.05489	3.4
213.11339	4.5
215.12895	27.7
227.03505	2.2
227.10800	72.2
228.11119	5.5
229.12259	3.3
243.13902	3.2
253.04813	1.6
271.09827	23.5
271.12878	2.3
271.78021	1.3
282.12524	3.4
283.13354	2.2
301.14374	1.4
329.12515	2.8
359.14944	6.3
374.16959	1.6
381.13327	1.9
382.14114	2.3
399.14230	6.6
400.15057	7.9
407.22226	3.7
425.23477	7.8
443.24420	100.0
444.24988	8.4
469.22324	33.0
470.22769	3.8
487.23340	9.6
488.23389	1.7
553.66571	1.6
617.38379	2.2
661.27856	10.1
661.37860	4.2
662.28387	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	661.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42856	3.5
57.03430	6.0
59.01384	54.3
61.98836	10.1
66.25477	3.1
71.01385	52.1
71.55764	4.8
78.95927	6.5
80.96507	19.1
82.96085	4.4
83.01411	4.6
85.02983	9.3
85.29214	3.5
87.00883	11.2
89.02460	52.8
94.98112	5.7
96.86424	3.4
96.95981	3.8
101.02455	19.9
101.57629	3.5
112.49800	3.4
113.02449	24.2
119.03468	20.2
131.03487	4.6
143.03543	4.4
161.04626	10.0
179.05679	18.5
214.23184	3.6
225.00719	6.3
277.21732	100.0
278.21982	7.6
289.21912	4.0
291.23358	4.0
323.09903	22.4
341.10883	62.2
526.18195	3.9
577.27008	19.0
579.27026	25.0
601.32074	12.3
602.33057	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	661.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01389	7.2
61.98834	1.7
71.01394	5.6
71.56737	0.7
73.02943	1.0
80.79005	0.5
83.01413	0.6
83.05030	0.7
85.02966	2.4
87.00883	1.0
89.02466	3.6
93.03471	1.4
96.96024	10.6
101.02460	3.8
113.02438	2.3
116.92888	0.5
119.03491	0.6
125.09725	0.5
134.03716	0.5
135.04520	1.8
137.02383	0.8
158.35306	0.4
160.01628	0.5
161.02457	0.5
161.04575	1.7
163.04065	0.5
165.29884	0.4
173.04524	1.2
183.13910	10.8
191.05649	4.7
193.12350	1.4
195.13918	28.3
196.14247	1.4
201.11374	0.7
209.11871	0.9
211.13411	38.8
212.13736	1.9
213.14992	11.4
214.15465	0.6
222.40948	0.5
223.13368	1.3
253.09283	3.1
309.20682	0.7
315.26837	3.4
327.26810	1.0
338.14023	0.5
345.28403	0.6
359.26056	4.1
371.26215	1.0
377.27008	4.6
378.27124	0.6
389.27048	1.5
395.28015	0.7
407.28052	5.6
425.23419	1.3
425.29129	23.5
426.29276	2.4
443.24332	1.2
469.22177	2.6
473.01761	0.5
568.17438	0.5
601.36163	0.7
661.38110	100.0
662.38434	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	663.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.4
57.03440	6.1
58.00586	3.2
59.01385	100.0
60.90461	1.4
61.98837	9.2
67.01893	1.6
69.03457	2.3
71.01389	76.6
71.34800	2.5
72.01734	1.6
72.99305	5.1
73.02958	14.2
83.01393	10.7
83.05013	1.9
85.02962	36.5
86.00088	2.0
87.00890	10.7
88.98824	5.9
89.02451	54.2
93.03459	3.0
95.01382	7.9
95.19111	1.5
96.96024	13.7
97.02959	1.9
97.51007	1.4
99.00880	5.4
101.02454	43.3
109.02977	2.1
111.00859	3.1
113.02464	42.1
119.03513	23.6
119.05009	2.9
121.02946	1.8
124.01636	1.6
125.02453	5.2
126.92701	1.4
128.44994	1.3
129.01965	3.6
131.03484	5.4
131.92165	1.2
134.03737	2.6
135.04532	2.0
137.02438	4.5
143.03499	7.7
147.14989	1.6
148.19579	1.5
149.02423	2.2
149.04512	2.3
161.02411	2.1
161.04578	16.1
163.03999	2.9
167.03513	1.7
173.04527	4.5
175.02475	2.1
175.03899	2.7
179.03490	2.9
179.05618	12.3
190.02711	3.3
191.01894	3.5
191.05621	4.6
195.06615	2.3
203.03403	1.5
205.05040	3.1
209.02953	3.0
221.06650	5.3
267.06833	1.6
379.21213	2.8
397.22290	12.5
415.23260	2.7
501.30411	3.4
541.26685	4.1
559.27582	54.0
560.28235	6.9
577.28668	57.0
578.29169	8.2
619.29657	9.6
663.27051	2.5
663.36267	13.9
664.35663	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	665.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22756	3.1
59.01382	30.9
61.98822	16.1
65.50930	2.9
71.01389	24.2
71.56552	4.7
73.02922	5.1
83.01398	4.1
85.02953	14.1
89.02471	18.6
91.99188	4.1
96.96009	25.2
101.02447	15.8
109.31956	4.1
113.02461	7.7
116.92810	4.0
119.03466	6.8
161.04572	5.0
163.03999	6.9
173.04510	5.5
179.05603	8.7
191.05574	6.3
393.76144	4.1
449.13672	3.9
467.29935	4.0
629.35443	100.0
630.36041	18.6
665.32104	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24151	1.3
61.98832	3.4
70.78312	4.1
72.88543	1.4
87.74676	1.5
102.37043	1.2
112.53086	1.4
159.08708	1.3
160.04050	3.4
188.03496	3.2
202.66214	1.5
212.07251	2.9
218.04568	3.1
225.06589	1.5
226.03970	3.6
239.04709	2.0
241.06168	2.2
243.37074	1.6
253.06409	2.7
254.06865	1.5
255.07741	4.0
267.04172	10.5
267.07727	6.5
267.11401	3.8
269.09222	2.1
280.04889	1.7
281.05814	3.8
281.09225	4.0
282.06467	3.6
283.07153	2.5
283.10760	2.0
293.09491	1.9
295.07242	13.2
299.06750	1.8
309.08835	5.9
310.09424	2.8
311.10382	11.9
312.10638	1.9
315.09860	5.7
327.09775	2.5
337.08221	5.8
355.09229	3.0
369.11121	1.8
500.93753	1.8
633.38745	3.2
665.41718	100.0
666.41888	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	667.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.5
58.24569	2.2
58.99596	4.6
59.01387	30.9
60.58640	2.1
60.99303	5.3
61.98825	11.0
69.03470	2.9
70.16584	9.1
71.01388	24.5
72.99308	2.5
73.02960	6.7
75.00859	3.2
83.01361	3.7
85.02968	21.0
87.00857	11.8
88.98817	19.5
89.02454	12.5
92.04933	2.0
93.03488	17.0
95.01424	5.7
96.96025	12.4
101.02468	14.0
102.98622	15.5
107.01395	4.4
108.01463	4.3
108.02183	81.7
109.02999	30.0
111.00884	2.7
113.02451	9.8
116.92844	3.1
119.05000	4.3
121.02972	14.5
123.00912	5.5
123.04539	4.6
125.02470	7.5
129.02016	2.4
133.02966	6.3
134.03781	4.0
135.00867	7.2
135.04535	10.3
137.02438	17.8
145.02966	4.4
147.03047	3.3
147.04517	2.6
149.02443	10.5
150.03142	2.7
151.00424	4.8
151.03979	6.1
152.01163	73.2
153.01974	43.4
153.05515	4.6
161.02376	6.2
161.04539	5.6
163.03955	9.5
164.04741	8.7
164.06036	2.0
165.01953	6.9
165.05521	4.0
167.03525	16.2
167.85345	2.2
172.12032	2.5
172.13585	2.3
173.04485	14.2
175.00304	6.3
176.01137	2.4
177.01959	28.8
177.05588	2.5
178.02412	3.4
179.03470	7.7
181.05051	2.5
190.02716	15.6
191.01953	3.1
191.03610	2.8
191.05623	13.8
193.05026	4.0
205.05040	21.5
206.05739	2.7
208.03754	2.5
209.04532	5.0
209.11855	5.9
219.03078	2.4
221.08174	2.3
223.06160	17.8
257.08218	3.0
258.05130	2.4
265.07190	8.3
283.05005	3.2
295.08270	6.5
297.06216	4.8
299.01990	2.7
315.07227	100.0
316.07571	5.4
325.09274	7.3
329.06705	4.3
337.09338	3.1
339.03296	4.2
339.07208	56.4
340.07410	4.9
383.01602	3.9
383.06250	56.7
384.06647	3.5
385.11520	3.5
397.08029	2.5
397.13394	5.1
401.07379	10.4
411.12881	4.3
415.14590	4.3
429.11353	2.3
443.15475	10.0
463.12180	3.2
489.10754	19.5
496.57553	2.3
555.05884	2.2
623.36133	3.4
631.21283	2.8
666.76996	2.7
667.19513	7.5
667.38513	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	667.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21481	1.4
57.03444	3.8
59.01392	19.8
60.15319	1.6
61.98828	4.0
67.01894	2.8
69.25261	4.6
69.25686	11.5
71.01391	23.0
72.99303	1.7
73.02953	5.5
74.02487	2.1
74.43927	1.5
81.94304	1.6
82.56042	1.4
83.01402	3.1
85.02953	14.9
87.00867	7.1
88.98807	6.6
89.02453	7.9
93.03465	23.0
96.96027	18.1
98.02483	3.7
99.00896	4.5
101.02454	12.5
108.02193	3.7
108.04556	1.8
109.02956	4.0
111.00903	15.6
113.02473	10.3
116.05093	4.5
116.92886	12.0
117.03469	1.9
119.03511	1.7
120.99657	2.5
121.02959	13.2
122.03781	12.6
123.04517	7.2
128.03525	3.1
129.02040	1.8
134.03772	4.8
135.04507	7.0
136.01744	2.5
137.01463	2.7
137.02466	33.2
138.03171	1.6
139.03993	1.7
143.03482	2.2
145.02969	3.5
147.04529	4.9
149.02458	41.9
149.06108	2.9
150.03027	1.9
151.04060	6.9
152.01166	3.2
152.03539	2.1
155.03488	2.5
159.03024	2.3
160.01685	2.9
161.02435	5.1
161.04578	6.9
161.05965	1.6
162.03146	1.8
163.04027	4.6
164.04762	2.5
165.01964	4.3
165.05609	3.1
166.02707	4.8
166.06410	1.9
167.03473	4.3
168.03134	2.3
173.00897	1.7
173.02307	1.9
173.04565	19.5
174.03294	2.4
175.04015	18.6
176.04715	4.9
177.05600	4.0
178.02727	2.5
179.03485	7.3
179.05724	2.7
180.04305	10.0
181.05032	6.2
188.04866	3.1
189.05615	8.6
190.02731	4.1
190.06369	18.2
191.02307	1.3
191.03487	17.5
191.05565	13.9
191.07155	12.8
192.04262	2.1
193.05078	14.5
194.05823	6.3
195.06668	3.1
196.02531	4.3
197.02657	2.2
197.47166	1.7
203.08456	8.4
205.05017	4.7
205.08720	16.2
207.06622	6.3
207.79353	1.7
208.07434	10.0
209.02956	1.7
209.11844	9.4
222.09041	2.5
223.06027	3.2
235.06094	2.2
238.46965	1.6
253.09396	2.5
281.06790	3.3
318.64853	1.7
329.09070	2.0
337.08713	2.1
353.08856	18.4
354.09006	2.5
375.13968	1.9
383.07578	2.6
389.16129	100.0
390.16476	10.0
419.17471	4.1
505.13620	2.3
667.19324	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	668.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03437	2.0
58.00586	1.4
59.01384	20.3
61.98838	11.2
64.42335	1.0
65.00311	1.2
69.96793	1.1
71.01390	24.5
71.55933	1.7
73.02947	8.5
74.02480	74.6
83.01418	6.5
85.02966	13.2
86.02477	2.3
87.00883	1.9
89.02463	6.1
93.03446	3.8
95.01389	2.3
96.95994	3.6
97.02956	2.0
99.00908	5.5
101.02461	18.9
101.95033	1.0
108.02212	1.6
108.80077	1.2
109.02952	1.4
111.00895	2.7
113.02460	11.1
119.05045	2.2
121.02982	2.6
123.04475	1.7
125.02425	2.7
134.03741	2.2
135.04526	2.0
137.02470	6.3
145.02963	2.2
149.06076	1.3
150.03244	1.6
151.00391	2.7
151.04022	1.8
152.01085	1.1
153.01990	2.0
159.02896	1.3
161.02460	1.3
161.04553	3.1
163.04022	2.4
165.05579	2.9
166.05133	1.3
171.10199	1.6
173.04541	1.8
179.03398	1.2
191.05663	2.4
205.05006	1.7
209.11761	1.3
299.25934	1.6
301.07117	7.9
328.53809	1.1
345.37881	1.2
353.96353	1.1
371.13727	1.2
461.31317	3.2
526.16675	1.2
593.35425	5.2
632.36523	27.9
633.36511	3.9
651.30847	1.7
668.38678	100.0
669.39899	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	669.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.1
67.01900	1.9
68.24304	0.9
71.01395	3.5
71.54419	1.2
85.02958	8.6
87.00881	1.3
93.03470	10.7
95.01388	1.4
96.96054	2.1
108.02185	43.3
109.02325	1.3
109.02979	13.3
111.04536	2.7
113.02438	1.2
114.82591	0.9
118.35075	0.9
123.00871	0.9
127.03998	2.1
133.02948	1.1
134.03818	1.8
135.04541	23.2
137.02431	2.1
151.04066	1.5
152.01164	40.3
153.01958	13.8
155.03467	2.3
161.02451	2.3
163.03944	1.2
165.01968	1.6
165.04178	1.3
173.04559	38.6
174.04869	1.6
179.03508	28.3
180.03769	0.9
191.05629	100.0
192.05974	2.5
203.26263	1.0
315.07242	69.7
316.07550	3.1
353.08780	45.7
354.09146	3.2
401.99686	1.0
587.45398	0.9
669.11322	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	669.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53450	0.6
57.03447	1.0
59.01120	0.7
59.01394	8.9
61.98814	2.7
66.45313	0.6
71.01382	8.2
71.03206	1.5
72.99306	1.4
73.02969	0.8
75.00862	0.8
81.03457	0.9
85.02959	3.0
87.00872	0.9
88.82581	0.6
88.98814	2.8
89.02444	3.2
93.03448	5.9
96.96006	3.3
99.00861	1.1
100.47293	0.6
101.02451	3.2
108.02177	2.2
109.02937	1.7
111.00856	0.7
113.02457	1.3
116.92889	1.9
119.05013	1.5
120.12740	0.6
121.03007	6.8
123.04540	1.0
134.03763	1.2
135.04494	2.2
136.01651	0.8
137.02437	8.2
147.04524	0.9
151.00331	0.6
152.01128	1.7
153.01845	0.9
160.01678	1.2
161.02400	1.7
162.03157	0.7
163.04039	1.8
166.55649	0.7
167.03488	1.0
173.04596	4.2
174.03204	0.9
175.03955	2.5
176.04674	0.7
177.01936	1.1
179.03497	1.6
181.05074	0.8
182.29504	0.6
190.02660	0.9
191.03648	0.6
191.05630	3.4
193.05051	0.7
205.05159	0.8
219.02956	1.0
223.06201	1.1
233.04597	0.8
234.05304	2.3
243.06589	2.4
263.07159	0.9
281.06668	1.5
282.01614	0.6
293.08243	1.2
294.01300	0.6
295.02521	1.1
299.02460	0.6
301.92325	0.7
308.03253	0.9
309.04163	0.9
309.71414	0.8
313.10828	1.1
323.01923	2.8
324.02661	4.4
325.03555	2.5
335.02121	0.8
337.03500	2.0
338.04263	2.9
339.05029	6.7
351.05200	1.6
353.06265	0.7
359.05792	1.2
367.09937	0.8
375.04996	5.1
403.04663	7.5
414.03894	1.6
415.04080	0.8
418.06747	1.7
429.06323	0.9
431.03781	7.2
432.04480	1.0
444.04691	1.2
445.05710	1.7
446.06458	21.1
447.07016	3.8
447.12537	1.1
459.07193	4.2
460.07996	2.5
461.08829	16.5
462.08878	1.5
473.08664	0.7
474.09573	1.5
475.10425	5.3
489.11923	3.2
491.10544	1.0
493.11490	2.9
507.16617	2.2
521.10706	1.2
565.32257	0.8
628.91919	0.8
654.16095	4.3
669.18280	100.0
670.18536	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	669.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61310	1.3
59.01382	12.5
61.98835	8.5
71.01382	14.8
71.58133	1.2
71.58557	2.2
72.99324	1.8
73.02931	3.4
75.00876	1.7
83.01378	2.4
85.02960	7.9
87.00880	3.0
88.98803	6.7
89.02448	6.0
93.02860	1.7
93.03465	30.1
95.01428	2.5
96.96019	9.8
97.02997	1.4
99.00880	2.8
101.02437	7.4
108.02179	3.9
109.02953	8.8
111.00872	5.1
111.04489	2.3
113.02462	3.8
116.92854	3.2
119.03507	1.7
119.05077	1.8
120.99636	2.5
121.02966	45.2
122.03273	1.5
123.00895	2.4
123.04555	1.7
124.01601	1.5
125.02419	2.0
129.01901	1.2
133.02956	1.6
134.03754	1.6
135.04532	6.7
136.01653	2.3
137.02458	39.9
138.03084	1.8
139.00368	3.9
145.02945	1.7
145.06615	1.3
146.65662	1.1
147.04532	2.7
149.02499	2.7
150.03145	1.5
151.03954	2.5
152.01205	3.1
153.01955	11.0
153.05626	2.1
153.07027	1.6
153.25392	1.3
159.04523	2.6
160.04041	1.4
161.02437	2.7
161.04747	5.9
161.06017	1.5
163.03967	3.2
163.07693	1.7
164.04782	2.2
165.01837	1.4
165.05585	1.5
173.04646	8.8
174.79694	1.4
175.00407	1.6
175.04001	2.9
179.03458	5.5
181.05069	1.3
188.04794	1.4
190.02652	4.5
191.02151	1.3
191.03488	11.0
191.05598	17.9
193.03639	2.4
204.98283	1.4
205.05045	5.5
206.05887	9.3
207.06386	2.5
211.13348	1.9
219.02927	2.1
220.03548	1.2
221.08179	10.7
223.06119	2.0
235.02510	1.5
235.05934	1.9
236.78470	1.4
250.04793	5.0
251.07149	2.2
265.07162	8.6
267.06589	1.4
279.06595	5.5
281.06680	23.4
283.10825	13.6
283.13348	1.6
295.02548	3.1
295.06107	4.4
297.04022	1.7
310.08469	2.1
315.07260	2.5
323.02017	3.4
324.02667	9.5
325.03366	3.0
325.10895	8.0
326.04221	3.0
337.03525	1.4
338.04333	4.5
339.05096	12.6
343.11832	3.6
346.04828	1.5
359.05380	1.5
369.09714	4.2
375.05148	1.8
386.04025	1.4
387.05585	2.3
387.10831	26.0
388.11060	1.8
401.06424	1.5
402.03531	1.2
403.04395	2.3
414.03656	4.9
415.04587	3.4
416.05267	2.3
417.06195	2.1
431.03998	3.8
432.04590	1.6
445.05118	6.6
446.06177	7.7
447.07065	2.4
460.07785	3.2
461.08752	15.2
462.09222	1.8
477.21362	1.9
491.09732	2.1
492.10376	3.6
503.15607	14.0
504.16119	2.0
507.12964	20.0
508.13541	1.9
547.14655	11.2
608.11755	5.0
609.12488	3.6
623.14185	3.1
625.15472	2.3
654.16016	3.8
669.18176	100.0
669.27802	6.8
670.18414	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	669.1834
Annotation	Picramnioside F
Peak:m/z	Relative Intensity
51.82236	0.7
53.99432	0.7
55.01866	1.2
55.39008	0.8
58.76566	0.9
59.01387	13.6
61.98839	4.4
68.99831	1.1
69.03451	1.9
69.22935	7.4
71.01386	15.1
72.99324	1.5
73.02946	3.8
81.03468	1.7
83.01389	3.5
83.97501	0.7
85.02959	10.4
86.69006	0.7
87.00873	2.2
87.06628	0.7
89.02450	4.5
93.03461	3.4
95.01395	2.8
96.96004	3.3
97.02930	1.1
98.19910	1.2
99.00888	1.8
101.02455	8.2
108.02190	100.0
108.52966	0.8
109.02994	28.6
110.03297	1.4
111.00874	2.1
113.02462	6.6
113.35483	0.7
116.92871	1.0
117.03473	1.1
119.03447	0.9
119.05042	2.5
120.99587	1.0
121.02972	4.0
123.00866	2.5
123.04542	2.2
124.01673	0.9
125.02382	1.1
132.02124	0.9
133.02927	1.6
134.03722	2.5
135.00920	2.2
135.04524	2.5
137.02473	4.1
145.02951	1.4
147.04475	0.9
148.05278	1.8
149.02385	0.9
149.06038	1.4
150.03282	1.6
151.00375	0.9
151.03979	2.1
152.01178	89.3
153.01976	24.2
159.04518	0.9
160.01628	3.1
161.02402	1.2
161.04527	1.7
163.03990	3.1
163.07629	1.7
165.01947	1.4
165.05544	1.2
167.03497	2.8
173.02490	0.9
173.04544	2.4
174.03195	3.4
175.04025	4.9
179.03658	1.4
179.05595	1.1
190.02727	0.9
191.05606	3.4
193.05045	2.8
200.51630	0.8
203.03436	1.6
205.05092	1.4
209.04578	2.6
209.11880	1.3
217.05028	1.2
222.06873	1.1
233.06033	0.9
237.05544	2.1
249.05600	3.1
250.06316	1.1
251.07208	2.9
251.90581	0.7
261.05539	1.3
262.06137	0.9
263.07178	1.1
264.08063	1.1
265.05069	3.2
265.08780	0.9
266.05692	1.1
267.06561	3.1
268.07315	2.0
269.06790	1.0
277.05020	3.2
278.05743	1.1
279.06635	3.4
280.07419	3.0
281.08221	1.3
282.08948	2.1
289.05219	0.9
293.04544	3.7
293.07797	1.9
294.05341	3.4
294.08939	3.0
299.05746	1.0
305.04617	1.7
305.08621	1.4
306.05344	2.5
308.06970	5.1
309.07681	8.1
315.07303	18.3
316.07581	1.5
320.06906	2.9
320.69989	0.8
321.07608	4.3
323.05847	1.8
323.09201	6.3
324.06619	0.8
324.09976	1.0
329.14194	0.9
335.09283	1.2
338.08090	1.0
339.08646	2.6
353.10385	5.8
397.13165	1.0
483.13028	2.5
507.12878	2.7
507.35260	2.3
533.12799	9.5
534.13672	1.6
639.17236	38.7
640.17609	6.0
651.17188	38.7
652.17352	6.1
668.39514	3.1
669.18274	77.0
669.40759	27.7
670.18585	12.8
670.40387	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.3
69.37158	4.8
71.01384	5.0
73.02949	0.6
81.29626	0.7
83.01373	0.9
85.02954	3.1
89.02492	0.8
93.03465	14.8
96.96030	1.4
101.02456	2.6
102.98642	0.7
108.02155	1.4
109.02945	1.9
113.02453	0.9
115.00372	2.7
116.92929	1.9
121.02979	1.5
122.03745	1.4
124.01667	1.5
125.02457	3.9
133.02985	2.1
134.03751	1.5
135.04565	1.0
136.01630	0.8
137.02457	27.9
147.04536	2.4
148.05315	1.1
149.99583	2.0
151.00331	0.7
161.06082	0.7
168.00624	3.2
169.01382	0.9
173.04581	1.1
179.03418	0.8
190.02699	0.9
191.05606	1.5
193.05022	0.6
205.05096	1.3
241.05130	3.6
242.05560	0.9
255.06624	0.8
256.07407	1.9
268.07394	2.1
269.08182	2.9
271.09857	1.5
281.06699	11.2
283.09830	1.6
284.10617	5.5
285.11026	1.0
299.12909	1.6
303.57742	0.6
323.01962	2.8
331.06787	7.1
332.07098	1.1
337.03552	1.4
338.04239	1.6
374.04410	1.5
389.06934	0.7
399.05475	2.8
402.03775	2.7
403.04507	1.2
417.06253	3.8
430.03217	1.6
431.04034	1.7
445.05759	7.2
446.06372	4.7
447.07104	2.5
460.07938	6.0
461.08865	3.6
473.08521	1.3
475.10574	1.4
491.09872	4.7
501.10547	4.8
502.10550	1.0
506.12030	1.2
507.12292	1.4
553.17236	1.6
608.11633	2.2
609.11865	1.4
623.14142	5.2
625.19739	1.0
654.16455	3.7
669.18225	100.0
670.18445	14.8
697.59381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3864
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03446	0.9
59.01383	3.4
61.98825	1.9
69.89129	0.9
69.89536	1.5
70.99619	0.5
71.01381	1.8
73.02953	0.5
73.32029	0.5
78.27386	0.5
85.02966	1.6
87.00868	0.5
89.02467	1.0
96.96008	0.8
99.04510	0.6
101.02448	1.2
111.08140	0.4
113.02418	0.6
113.06149	0.6
116.92863	0.8
120.99696	0.7
127.97634	0.5
135.04546	1.0
135.08167	0.9
137.02475	0.8
138.03223	0.9
149.06113	5.1
150.06882	40.5
151.07408	1.4
153.05606	2.7
153.09171	0.6
155.10782	0.6
157.08737	0.6
161.02434	1.9
161.09735	0.9
163.04036	3.5
163.07675	9.6
164.08441	5.9
169.12328	0.9
171.10275	1.1
176.04846	3.4
176.08414	2.0
177.09145	0.6
178.06380	2.3
178.09993	3.4
179.10786	11.8
180.11194	0.5
191.05687	0.6
191.07175	5.0
192.07588	0.5
193.08705	2.1
207.10297	0.8
209.11935	0.6
210.03598	0.7
224.07082	0.5
225.05923	8.2
225.11411	1.1
263.12958	0.4
279.23279	1.1
281.21265	1.0
283.19214	0.5
313.07571	2.9
325.23871	0.9
327.21808	5.6
387.11179	0.9
428.29376	1.1
430.30435	0.8
443.31747	0.7
446.30362	9.0
447.30789	1.0
460.31985	1.0
461.32834	10.7
462.32883	1.4
475.12894	3.1
488.31653	2.6
489.32266	1.8
506.32526	3.0
507.33282	27.9
508.33722	3.6
549.34088	0.5
611.88434	0.6
651.29816	0.8
669.38666	100.0
670.39026	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	671.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
59.31315	0.9
61.98833	4.8
69.03471	1.0
69.35913	0.9
69.39962	1.5
69.40367	6.1
71.01391	6.1
72.01787	1.1
83.01353	0.9
83.05058	1.3
85.02942	1.5
89.02448	2.1
93.03478	2.3
96.96010	2.3
97.93333	0.9
98.19930	2.2
100.60275	0.9
101.02470	2.5
103.08022	0.8
104.60262	0.8
109.06611	3.9
113.02440	1.4
117.03457	2.1
119.05037	87.9
120.05395	2.4
125.09764	1.1
133.02963	1.1
135.04483	1.7
145.02974	1.4
151.00423	1.3
161.02505	6.5
162.03284	1.6
162.06793	1.3
163.04024	48.5
163.11293	2.3
164.04469	1.4
171.10294	1.3
173.04546	1.7
185.02454	1.6
191.05685	1.7
196.73819	1.2
198.55086	1.1
203.03508	3.2
207.10326	8.0
209.11829	15.0
211.13373	1.0
225.11324	13.2
227.03450	9.6
227.12892	2.5
243.03006	2.2
243.33490	1.0
253.09372	1.2
271.02521	15.9
285.04071	2.3
299.01993	55.2
300.02322	4.0
313.03525	4.5
314.04361	48.1
315.04565	2.6
315.61734	1.0
318.12369	1.0
328.05957	1.8
328.29645	1.0
329.06686	100.0
330.07001	7.0
399.21664	1.6
417.22873	1.2
461.20206	2.4
627.38098	1.4
635.31110	1.6
653.31732	2.5
671.17755	30.1
671.32788	6.3
672.17828	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	671.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.3
61.98839	15.6
70.86256	2.8
71.01391	8.3
73.02946	1.7
81.03442	1.7
83.01391	2.0
85.02960	5.9
87.00874	1.3
88.98807	2.2
89.02441	2.6
93.03457	6.6
95.01411	2.3
95.05000	1.0
96.96021	17.3
98.60269	0.9
99.00910	0.9
100.25250	1.0
101.02457	5.4
107.01419	1.2
108.02187	70.5
109.02982	26.8
111.00864	1.3
113.02435	3.2
115.05644	0.9
116.92834	1.2
119.04974	1.5
120.99642	1.1
121.02953	8.0
123.00848	2.4
123.04491	3.3
124.01646	1.1
124.82416	0.9
125.02442	2.5
133.02945	1.7
134.03728	2.3
135.04573	4.7
136.01674	28.8
136.05336	2.0
137.02483	15.9
143.05051	1.3
145.02913	1.5
147.04550	4.7
148.05168	1.1
149.02408	3.2
149.06068	1.9
150.03192	2.4
150.06868	1.2
151.00417	1.9
151.04021	15.3
152.01169	67.3
153.01962	26.8
159.04584	5.6
160.01671	1.2
160.04111	1.5
160.05312	15.4
161.02409	2.5
161.04642	1.1
161.06061	2.4
163.04012	5.6
164.04718	3.4
165.01907	2.3
165.05511	1.3
167.03558	4.9
173.04517	1.9
173.05879	1.0
175.03949	2.6
175.07689	9.9
176.04659	1.0
177.05579	1.7
179.03435	2.9
181.05057	1.4
181.35773	0.8
190.02782	2.4
191.05580	3.1
192.99634	1.3
193.05002	2.3
195.02997	1.3
195.06575	1.2
204.04182	1.2
205.05057	2.7
207.06564	1.1
208.01952	2.1
213.15039	6.2
219.06653	1.1
223.04312	3.3
238.62711	0.9
241.05200	1.8
281.06720	2.3
283.09811	1.7
284.10495	1.6
297.11353	1.2
299.12811	1.0
311.04941	1.0
311.07822	8.3
315.03854	1.3
315.07257	13.5
315.12192	2.7
316.07260	1.0
329.13956	6.2
341.10135	3.4
355.11942	2.0
373.12970	2.2
383.15097	1.1
389.12570	1.6
390.66064	0.9
397.13455	1.5
401.12320	1.2
403.10785	1.1
415.14105	1.7
433.13000	0.9
491.12265	2.0
509.15195	1.1
641.22382	2.7
671.19788	100.0
672.20135	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	671.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76691	0.8
57.03447	1.6
58.20480	0.8
59.01383	13.8
61.98838	5.7
63.14893	0.9
69.03456	0.9
69.46275	5.9
71.01392	13.9
73.02953	3.2
78.95908	1.0
79.95708	1.0
81.03444	1.4
83.01397	1.5
85.02959	7.5
87.00900	1.6
88.56453	0.7
89.02460	9.3
93.03452	5.6
95.01375	2.0
96.96018	18.4
97.03000	1.1
98.19955	2.0
101.02456	8.5
101.13155	0.7
108.02184	58.1
109.02976	30.8
110.03294	1.1
113.02476	4.2
116.92879	1.0
119.03513	3.3
121.02971	4.2
123.00883	1.7
123.04532	1.7
125.02449	1.6
133.02931	1.8
135.04512	2.3
137.02432	6.7
150.03175	1.4
151.04002	1.9
152.01167	60.0
153.01949	16.3
161.02440	3.6
161.04527	1.7
163.03992	1.7
164.04817	0.8
165.01999	1.1
173.04527	2.0
175.00591	1.0
175.03984	1.7
179.03516	2.9
183.13853	1.6
191.05659	3.4
193.12364	0.8
195.13907	1.8
213.14967	17.1
215.07001	1.2
229.01427	0.8
272.33511	0.9
281.06769	1.1
315.07208	3.2
397.13596	6.2
415.14722	5.2
435.14749	0.9
436.10968	0.9
479.13770	1.1
487.15198	0.8
497.76227	0.9
509.11404	1.0
671.25629	100.0
672.15778	1.5
672.25964	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	671.2683
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
61.98843	3.3
70.69468	5.6
70.69802	4.1
78.95914	4.7
97.91850	2.2
118.60539	2.5
118.61511	2.2
119.41518	2.3
141.41698	2.6
255.23323	3.3
624.23053	2.7
637.40625	2.5
671.26813	100.0
671.44922	3.8
672.17194	2.5
672.26996	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	671.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42881	0.6
55.01899	0.9
57.03473	1.3
58.00629	1.1
58.79796	0.7
59.01382	24.5
61.12167	0.6
61.98850	2.1
63.02924	0.6
69.03473	0.9
69.50553	3.8
71.01389	16.9
72.99316	1.6
73.02943	3.3
76.73466	0.6
80.02697	1.8
81.03481	3.3
83.01416	2.0
83.05035	8.1
84.02169	1.2
85.02950	6.3
87.00901	2.2
89.02456	8.1
93.03463	3.9
95.01426	1.7
95.05065	1.9
96.96021	1.2
97.02976	4.9
97.06630	1.4
99.00880	3.1
101.02454	9.8
107.05016	0.9
108.02171	0.7
109.06602	21.1
110.03744	0.9
111.00936	1.0
113.02459	7.8
116.29969	0.6
119.03500	2.9
119.05033	1.1
121.02959	3.2
121.06579	1.0
125.02477	1.3
125.06116	0.9
125.09756	2.5
135.04567	1.3
135.08173	3.6
136.05290	1.2
137.02486	0.8
142.02736	2.0
143.03508	1.6
145.05020	0.9
145.10201	0.7
161.04561	3.1
161.09741	1.7
162.06819	0.7
163.04024	0.7
163.11308	19.1
165.12878	2.6
171.10292	3.6
173.04633	1.4
177.09225	1.1
179.03618	0.9
179.05675	1.7
179.10739	0.7
181.12355	3.7
185.11830	1.9
187.09740	0.7
189.09200	2.0
191.05641	1.6
191.10811	1.7
193.12450	0.7
201.11240	1.1
207.10286	57.6
208.10591	3.9
209.11850	100.0
210.12195	5.5
217.12332	1.1
217.25015	0.8
221.11827	1.5
223.13399	0.8
225.11333	31.0
226.11731	1.1
227.12904	11.5
228.13089	0.9
231.10211	1.1
235.08261	2.8
247.13457	1.3
249.11324	1.7
253.09308	10.1
263.12888	1.3
265.14368	1.4
299.01941	1.3
299.14709	1.2
314.04370	3.0
321.95853	0.6
329.06671	5.5
330.07275	1.0
355.22714	0.9
355.43942	0.8
373.23996	1.1
381.21472	0.7
381.87213	0.7
399.21774	4.5
417.22906	5.8
443.19421	3.2
461.20273	10.2
611.34363	6.2
627.29681	1.1
629.35364	7.6
630.35754	1.3
635.30811	10.5
636.31091	1.7
653.31848	13.7
654.31787	2.3
665.94073	0.8
671.32733	25.7
672.33215	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	671.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67838	0.5
56.79319	0.5
57.03456	1.1
59.01387	6.6
61.98837	6.0
65.51353	0.5
69.03472	0.5
69.58060	0.9
69.58474	2.9
71.01393	4.8
72.21642	0.5
72.99300	0.5
73.02954	1.3
83.01400	0.5
83.05024	0.9
85.02966	3.8
87.00872	1.1
89.02469	3.0
93.03453	2.3
95.01393	0.6
95.05021	0.6
96.96011	2.0
97.02950	0.6
97.06600	1.5
97.38949	0.5
99.04521	0.6
101.02451	3.6
103.71714	0.5
108.02188	0.5
109.02973	1.0
109.06618	1.4
111.04490	0.6
113.02472	2.2
116.92915	0.5
117.03413	0.6
119.03560	0.6
119.05045	3.2
121.02985	3.1
121.06580	0.7
123.04554	0.6
127.11308	0.5
133.02948	0.8
134.03729	1.6
135.04521	1.5
135.08171	0.8
136.05241	0.9
137.02463	2.3
137.06120	0.9
145.02968	1.5
147.68793	0.4
149.06114	3.8
150.06883	24.4
151.04039	1.0
151.07466	1.2
152.01164	1.0
153.05602	1.1
155.10837	0.9
158.03789	2.1
159.04527	1.0
160.45851	0.5
161.04642	0.6
162.06891	0.7
163.04036	0.7
163.07668	16.9
163.11276	1.4
164.08467	3.5
165.05615	1.0
168.04506	0.7
170.06152	0.6
171.10281	1.5
173.04547	2.4
176.08459	1.2
177.09222	1.1
178.10039	2.1
179.10789	8.9
183.04413	0.6
191.05644	3.5
197.15448	1.0
207.10284	4.5
209.11824	7.1
210.12183	0.7
225.11365	3.8
227.12895	1.4
283.23199	0.6
285.20889	0.6
311.09268	1.0
327.25351	2.9
329.23401	4.6
382.06876	0.7
409.16492	3.2
430.31085	0.9
446.34225	0.9
448.31989	3.9
461.20114	0.9
462.33627	3.4
463.34323	7.4
464.34796	1.1
465.26044	0.6
490.33051	6.4
491.33777	3.0
508.18567	1.1
508.33987	8.5
509.34918	21.3
510.35300	2.7
611.37012	0.7
625.78204	0.6
627.37958	1.0
635.30371	0.6
653.31787	0.7
671.40308	100.0
672.40735	17.3
694.35956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4015
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03465	0.7
57.07314	0.5
59.01389	3.7
61.98821	2.0
65.46655	0.5
69.18793	0.5
69.81339	0.5
70.70467	0.5
70.70828	1.5
71.01398	2.9
72.96806	0.5
72.99348	0.5
73.02939	0.8
81.89036	0.5
83.05023	0.6
85.02953	2.8
87.00877	1.1
89.02460	1.6
93.03446	1.5
96.96016	1.4
101.02438	0.9
103.55933	0.5
109.06588	1.7
111.00922	0.5
113.02458	1.2
113.06053	0.6
119.03460	0.7
121.02945	0.7
121.06690	0.5
135.04518	0.5
135.08214	0.8
136.05330	0.9
137.02463	1.2
143.53429	0.5
149.06087	5.5
150.06882	39.8
151.07336	2.2
159.04541	0.6
161.09686	1.1
162.06876	0.9
163.07668	10.8
163.11299	0.9
164.08438	6.4
171.10268	0.7
173.04568	1.5
176.08464	1.7
177.09132	0.7
178.10031	2.9
179.10797	12.4
180.11151	0.6
181.76845	0.5
191.05663	2.3
207.10330	3.7
209.11838	6.8
225.11299	3.4
226.11664	0.6
227.12860	0.9
235.08430	0.7
253.09410	0.9
259.09207	0.5
265.21768	0.7
327.25583	1.3
329.23361	4.9
330.23721	0.8
362.05002	0.6
375.07111	0.6
382.07239	1.0
409.16245	1.0
416.14600	0.6
430.30539	0.6
435.11191	0.5
445.33038	0.9
446.33765	0.8
448.31924	8.1
449.32297	0.9
462.33926	1.5
463.34369	10.9
464.34381	1.4
490.32986	2.4
491.33957	2.5
508.34097	3.5
509.34882	26.9
510.35260	4.0
627.37506	1.4
635.30847	0.6
653.31641	1.3
671.40253	100.0
672.40668	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	673.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.8
61.98842	46.7
71.01379	24.3
71.56690	10.7
75.72719	9.8
78.95895	17.8
86.21986	9.1
96.96033	17.6
126.44711	8.7
139.89896	9.9
152.99464	12.7
153.02972	9.3
171.10286	100.0
209.11885	62.4
211.13399	20.1
223.13457	79.7
227.13002	18.9
253.09315	9.8
361.13290	10.5
459.22501	17.2
553.31445	12.0
673.35187	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	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11570	0.2
55.01873	0.2
58.00623	0.2
59.01387	2.2
61.98825	0.4
71.01394	1.9
71.03939	0.3
73.02963	0.5
80.02686	1.0
81.03468	1.0
83.01391	0.3
83.05038	4.0
84.02172	0.7
85.02959	0.6
87.00884	0.4
89.02453	1.1
93.03450	0.3
95.05027	0.6
95.67475	0.2
97.02968	0.3
97.06628	0.2
101.02457	1.5
105.90131	0.2
109.06623	0.5
113.02443	0.9
119.03531	0.5
125.02481	0.2
125.06081	0.5
125.09708	0.5
131.50562	0.2
135.08159	0.8
145.05052	0.3
147.11861	0.2
161.04546	0.5
163.11305	3.6
163.12553	0.3
164.11710	0.2
165.12880	1.8
171.10307	2.0
173.04646	0.2
179.05600	0.2
181.12361	0.5
182.41605	0.2
185.11868	0.2
190.02731	0.2
191.05626	0.4
191.10791	0.8
198.05032	0.2
205.05081	0.2
207.10297	0.2
209.11847	100.0
210.12184	6.7
211.13467	0.4
221.11882	0.2
223.13586	0.2
227.12907	12.7
228.13280	0.7
235.08237	1.5
247.13463	1.3
249.14864	0.2
253.09314	5.4
254.09589	0.2
257.10876	0.3
265.14413	0.3
401.23212	0.3
419.24649	0.3
445.20947	0.8
611.30725	0.3
629.39246	0.6
637.32629	0.7
655.33490	0.3
673.35858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	93.3
59.01387	73.3
59.01691	3.3
61.98839	3.6
64.17740	1.6
71.01385	2.2
78.95930	2.2
81.03469	5.4
86.29881	1.8
99.04530	100.0
100.04881	1.9
101.02468	13.7
125.02467	52.8
180.23999	1.5
199.09808	2.1
202.15610	1.7
223.95935	1.8
255.23325	6.1
277.21765	31.0
278.22055	3.0
279.23300	1.9
478.12720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60484	6.8
59.01377	41.7
61.98842	27.4
69.34222	38.6
69.34641	20.2
71.01390	17.9
73.02975	8.1
74.07106	6.9
78.84648	6.7
85.02963	13.8
96.96027	54.8
98.20670	17.0
100.98804	7.0
101.02475	10.5
108.32637	8.0
109.02988	7.4
109.06594	22.7
134.03748	35.5
141.01848	9.5
148.50981	8.4
163.03979	9.6
163.11378	9.7
169.12296	9.2
171.10271	100.0
173.04539	18.3
175.04002	15.4
191.05666	23.5
193.05084	46.4
197.11819	16.2
201.11295	8.5
207.10297	38.4
209.11923	33.9
211.13423	14.9
213.15005	18.0
224.01236	8.4
225.11337	16.1
253.09435	16.1
349.09195	9.7
367.10361	11.4
403.24680	8.3
549.73395	7.5
568.07343	8.4
615.30078	17.9
621.32886	34.0
633.38391	8.6
639.33942	14.7
675.31409	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	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03446	1.0
57.37226	0.2
58.00599	2.4
59.01385	53.5
60.01711	0.6
60.16064	0.2
61.98837	0.5
67.01880	0.4
67.04952	0.2
68.99825	0.9
69.03466	2.8
71.01389	44.4
72.01717	0.4
72.99315	3.4
73.02956	7.7
75.00893	0.7
81.03458	2.0
83.01400	5.4
83.05031	0.5
84.02171	0.2
85.02962	10.0
86.00104	0.3
87.00883	10.4
87.04546	0.4
89.02454	37.1
90.02773	0.5
91.04014	0.8
93.03465	0.6
95.01396	3.4
97.02962	7.0
99.00890	3.0
99.04537	0.7
101.02455	36.2
102.02808	0.7
103.00347	0.3
103.04033	0.4
109.02969	0.8
109.96725	0.2
111.00900	0.8
111.04523	1.3
112.01699	0.4
113.02460	17.2
113.06094	0.3
114.02825	0.5
115.04008	0.8
119.03515	11.6
120.03841	0.3
121.02926	0.9
123.00895	0.5
123.04517	0.3
124.01692	0.5
125.02457	14.5
126.02796	0.3
127.03999	0.5
129.01999	0.4
131.03506	2.1
133.05084	1.3
135.04550	0.3
137.02490	0.4
139.04002	1.6
140.19383	0.2
141.01942	0.7
141.05521	0.2
142.02711	0.3
143.03522	6.9
144.03889	0.3
149.02452	0.3
149.04565	1.2
151.03996	0.3
157.05128	0.4
161.04570	8.3
167.03539	0.9
169.05064	0.6
171.02968	0.3
179.05623	7.3
180.06023	0.3
181.05106	0.4
185.04581	1.1
189.73973	0.2
199.06136	0.6
203.05664	0.6
205.19724	0.2
214.35155	0.2
217.07158	1.1
219.05173	0.5
221.06674	2.7
227.05670	0.3
233.06645	0.2
233.22757	0.5
235.08241	15.1
236.08537	0.7
245.06697	1.0
253.09294	4.4
254.09586	0.3
259.20749	0.5
263.07761	1.8
275.20056	0.4
277.09570	1.2
277.21735	100.0
278.22070	8.7
287.07770	3.3
291.23193	0.3
305.08804	3.9
306.09079	0.2
323.09827	1.9
361.11462	0.7
379.12668	1.1
397.13519	81.9
398.09665	0.1
398.13806	5.4
415.14594	35.1
416.14774	2.3
533.90619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03455	1.2
58.00597	2.3
59.01386	53.7
60.01719	0.4
60.80820	0.2
61.98847	0.3
67.01900	0.4
68.99817	0.5
69.03467	2.5
71.01390	44.0
72.01741	0.3
72.99314	2.9
73.02954	8.3
75.00883	1.2
81.03484	1.9
83.01391	5.1
83.05057	0.5
85.02962	9.4
86.00099	0.4
86.03303	0.3
87.00889	11.0
87.04523	0.3
89.02455	39.5
90.02791	0.6
91.04028	0.7
93.03461	0.6
95.01394	3.5
95.05064	0.3
97.02968	7.4
99.00876	2.8
99.04518	0.5
101.02456	34.2
102.02816	0.6
103.00421	0.3
103.04013	0.7
109.02960	0.7
111.00898	0.7
111.04533	1.5
113.02464	16.7
113.92484	0.2
114.02787	0.4
115.04026	0.6
116.37103	0.2
119.03513	11.1
121.02982	0.9
123.00868	0.4
124.01661	0.4
125.02464	14.5
126.02771	0.2
127.04045	0.6
129.01880	0.3
131.03520	2.1
133.05077	1.3
133.73088	0.2
135.04578	0.2
137.02406	0.3
139.04007	1.3
141.01952	0.6
142.02730	0.3
143.03522	7.1
149.02470	0.3
149.04565	1.1
151.03958	0.3
153.05649	0.2
157.05139	0.2
161.04575	8.3
167.03525	0.6
169.05028	0.5
179.05629	7.5
181.05054	0.3
185.04546	0.7
196.34305	0.2
199.06117	0.6
203.05621	0.6
207.64670	0.2
217.07210	1.4
219.05080	0.5
221.06654	3.3
233.22783	0.4
235.08237	17.1
236.08563	0.7
245.06680	1.2
253.09322	3.7
258.72607	0.2
259.08353	0.3
259.20667	0.6
263.07693	1.9
275.20148	0.5
277.09573	1.1
277.21738	100.0
278.22076	8.6
287.07758	3.8
291.23279	0.4
305.08783	3.8
306.09152	0.3
319.22964	0.2
323.09854	2.2
324.10321	0.2
331.10471	0.2
331.92889	0.2
361.11374	0.6
379.12454	1.1
397.13528	82.5
398.13882	6.3
415.14594	35.7
416.14896	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54122	0.3
56.93072	0.2
57.03451	0.3
59.01394	1.5
61.98833	4.1
63.05820	0.2
65.00325	0.5
65.03979	0.4
65.57823	0.2
67.01909	0.4
71.01399	1.7
73.02982	0.3
78.95898	0.3
79.95749	0.3
80.01655	0.2
81.03454	0.4
83.01413	0.3
83.05034	1.3
85.02956	1.8
87.00898	0.5
89.02459	0.8
89.03970	0.6
91.05540	0.5
93.03467	2.4
96.96021	6.3
98.95609	0.4
101.02449	0.9
108.02194	1.0
109.02969	0.6
111.00932	0.3
111.04538	0.6
113.02476	0.5
117.03503	1.1
119.03480	0.4
119.05025	1.4
121.02963	14.9
122.03254	0.5
123.04569	0.3
125.02453	0.3
129.02002	0.4
132.02174	2.0
133.02962	0.8
134.03719	0.9
135.04539	1.9
136.01689	0.6
137.02435	0.9
139.00307	0.3
145.03008	0.4
147.04526	5.5
149.02451	81.8
150.02789	3.0
151.04010	0.4
152.01157	0.9
153.01958	0.5
153.05585	0.3
161.02425	0.5
163.04028	1.4
164.04803	57.5
165.01950	0.3
165.05116	2.0
167.03488	0.5
169.05022	0.3
173.04567	2.0
175.00418	0.2
175.03989	0.4
177.01956	0.4
179.03606	1.1
179.07150	6.5
180.07489	0.3
186.90048	0.3
191.01924	0.5
191.03853	0.4
191.05623	3.4
193.01421	0.5
193.05011	0.4
208.03741	1.7
209.02977	0.3
223.06126	100.0
224.06453	5.2
225.16167	0.7
229.75256	0.3
333.23010	0.4
353.08508	0.3
377.12088	0.3
383.13507	0.4
433.31744	0.7
451.32901	18.1
452.33087	1.9
599.00757	0.2
675.23224	1.0
675.40088	0.4
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
56.47506	0.5
59.01387	100.0
60.01717	0.8
61.71202	0.6
61.98851	0.6
63.89088	0.5
65.01134	0.5
65.20419	0.5
71.55302	0.7
78.95927	1.4
79.95809	0.5
80.96542	2.2
94.98140	0.8
96.96045	1.7
152.99591	0.5
154.16006	0.6
187.65437	0.5
225.00810	0.7
277.21722	1.0
340.96414	0.5
480.93033	0.6
555.28375	3.9
556.29285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	51.2
61.98831	33.5
70.61452	13.5
71.01377	11.7
71.56043	13.0
85.02978	12.8
92.22869	12.1
96.96001	45.7
106.89079	10.3
116.92772	10.0
136.04361	10.6
163.04005	17.3
191.05730	10.5
211.13423	100.0
220.14726	15.1
221.15514	67.0
236.10495	43.2
259.46088	10.5
293.17651	34.1
384.91501	12.1
454.61737	10.5
548.43762	10.2
552.54163	9.9
578.08972	10.7
623.34607	34.3
677.33160	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	677.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25749	0.3
55.01868	0.9
57.03440	1.4
58.00601	1.7
59.01389	36.1
60.01713	0.4
61.98822	1.0
65.43084	0.3
68.99805	0.5
69.03481	1.7
70.12321	0.9
70.12733	0.6
71.01392	34.0
72.99319	2.9
73.02567	0.4
73.02958	6.1
75.00876	1.1
79.53326	0.4
80.96527	0.8
81.03463	1.5
83.01401	3.9
83.05050	0.3
85.02962	7.5
85.49323	0.3
86.00114	0.6
87.00405	0.5
87.00891	7.5
89.02456	28.9
90.02776	0.6
91.04020	0.9
93.03468	0.3
95.01398	2.7
97.02964	5.7
99.00897	1.7
99.04533	0.6
101.02454	27.1
103.03987	0.4
103.91994	0.4
109.02956	0.6
111.00904	0.8
111.04526	1.3
113.02465	13.9
114.02813	0.4
115.04041	0.8
115.92097	0.4
119.03513	8.9
119.05025	1.0
121.02962	0.5
125.02470	11.1
131.03500	1.4
133.05066	0.7
139.04015	1.1
141.01956	0.6
143.03516	5.3
149.04556	0.7
161.04576	7.2
163.03998	0.9
167.03528	0.7
179.05641	5.8
185.04567	0.6
199.06126	0.8
217.07146	1.4
219.05162	0.6
221.06596	2.0
235.08246	13.6
236.08577	0.7
245.06613	0.7
253.09322	3.8
261.22318	0.4
263.07620	1.3
275.06378	0.5
277.09308	1.0
277.21909	0.7
279.23312	100.0
280.23676	8.4
287.07721	3.0
288.08270	0.4
293.24860	0.5
305.08737	3.1
323.09918	1.5
361.11740	0.5
379.12643	1.0
397.13541	76.7
398.13928	5.5
415.14609	32.6
415.20401	0.4
416.14902	2.5
461.54404	0.4
535.27405	0.4
577.26727	0.6
579.27081	0.6
602.19647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03456	1.0
58.00598	2.1
59.01388	40.1
60.01714	0.3
61.98845	0.3
67.01904	0.5
68.99821	0.6
69.03459	2.2
70.60246	0.6
71.01391	34.4
72.01740	0.4
72.99318	2.7
72.99770	0.2
73.02955	6.2
75.00891	0.7
80.02333	0.2
80.96509	0.2
81.03470	1.4
81.89848	0.2
83.01400	4.2
83.05043	0.3
85.02963	8.2
86.00114	0.5
87.00889	9.0
89.02455	30.9
90.02802	0.3
91.04039	0.7
93.03469	0.4
95.01388	2.3
97.02964	6.1
97.06609	0.2
99.00905	2.0
99.04539	0.6
101.02457	27.7
102.02820	0.6
103.04039	0.4
109.02965	0.6
111.00894	0.7
111.04525	1.3
111.99934	0.2
112.01693	0.3
113.02464	14.1
115.04018	0.8
118.94022	0.2
119.03517	9.5
121.02985	0.9
123.00893	0.5
123.04509	0.5
124.01711	0.4
125.02462	12.2
126.02763	0.4
127.04025	0.7
129.01936	0.3
131.03503	1.5
133.05083	0.8
137.02443	0.3
139.04033	0.9
141.01971	0.5
143.03520	5.8
149.04506	1.1
151.04013	0.3
151.91557	0.2
157.05092	0.4
161.04582	6.4
167.03474	0.9
169.05055	0.7
171.02985	0.5
179.05640	6.1
185.04546	0.6
194.18027	0.2
199.06123	0.7
203.05676	0.5
217.07156	1.2
219.05164	0.4
221.06709	2.3
235.08246	14.1
236.08592	0.6
239.70644	0.2
245.06616	1.1
253.09300	3.4
254.09506	0.3
259.08173	0.3
261.22321	0.4
263.07779	1.5
277.09155	0.9
279.23315	100.0
280.23688	8.6
280.55798	0.2
287.07797	3.3
293.24930	0.4
305.08801	3.6
306.09152	0.4
323.09793	1.7
361.11395	0.5
379.12415	1.4
380.13000	0.2
397.13535	80.3
398.13885	5.5
415.14609	32.0
416.15060	2.0
677.38525	0.2
697.21423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	0.4
59.01381	0.7
61.98827	0.5
69.35036	0.5
69.35447	1.1
71.01389	0.7
74.80973	0.2
78.84641	0.2
81.03463	7.6
82.94238	0.1
83.01376	0.3
83.05035	18.7
84.05342	0.3
85.02956	0.9
87.00902	0.2
87.63366	0.2
89.02451	0.3
93.03445	0.4
95.00454	0.2
96.96021	1.2
98.02499	0.2
98.19903	0.3
100.07673	0.2
101.02440	0.3
107.06152	0.4
108.02183	0.3
108.04584	0.9
109.02917	0.3
111.00900	0.2
113.02454	0.2
116.92931	0.2
121.84238	0.2
125.07230	1.0
126.05598	0.4
129.01959	0.3
134.03827	0.2
135.04550	0.4
137.02434	0.3
143.08206	0.4
173.04614	0.4
175.04100	0.2
179.03378	0.3
191.01950	0.4
191.05641	0.4
195.06577	0.3
199.18155	0.2
207.15054	1.9
209.03056	0.2
214.06277	0.2
224.17712	3.1
225.16104	12.7
226.16438	0.6
242.18755	1.0
250.15582	0.2
291.20587	0.2
309.21823	0.8
324.26617	0.8
333.23022	0.7
339.27408	0.3
341.29175	1.0
343.79395	0.2
351.24152	0.2
367.27176	1.2
433.31900	1.2
450.34497	1.5
451.32932	6.4
452.33298	0.8
550.43616	1.1
559.39746	0.3
567.46509	0.2
593.44000	0.8
659.48602	1.5
660.48993	0.2
677.49738	100.0
678.50067	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	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01384	6.6
65.03964	0.6
67.01888	5.4
68.85752	0.5
69.03449	1.3
71.01392	8.3
72.99326	0.8
73.02960	1.4
75.00896	0.5
78.95880	0.6
79.95753	0.6
81.03462	1.6
83.01389	1.2
83.05039	1.6
85.02953	4.8
87.00877	2.2
89.02470	2.6
93.03470	38.3
94.03837	1.2
95.01399	0.7
96.96023	26.8
98.19855	1.3
99.04567	0.6
101.02463	4.0
107.01416	0.9
108.02193	2.7
108.37905	0.6
108.82813	0.6
109.02950	2.8
111.00885	3.5
111.04544	5.1
113.02441	3.3
119.03546	0.8
119.04993	0.8
120.99734	0.6
121.02986	0.7
122.64625	0.5
123.00871	1.3
123.04539	3.1
124.01639	0.6
124.94495	0.6
125.02423	1.9
127.04037	0.8
133.03053	0.8
134.03758	13.7
135.04520	2.4
137.02472	8.0
143.03555	0.7
145.02992	0.9
147.03017	0.5
149.02461	1.1
149.06084	5.4
150.03125	0.8
151.00391	2.4
152.01157	3.0
152.97583	0.6
153.01949	2.5
154.86320	0.5
155.03506	7.0
160.01720	0.6
161.02460	1.6
161.04596	1.1
163.03966	0.7
165.01978	0.7
165.05646	0.7
167.03505	7.9
173.04564	100.0
174.04909	2.5
175.04042	1.1
177.01941	0.6
178.02719	7.4
179.03455	2.0
191.01933	1.0
191.05618	3.8
192.04305	1.3
192.06035	0.6
193.05074	21.9
194.05428	1.1
195.06647	0.9
201.11420	0.7
205.05183	0.5
207.06737	0.7
209.03026	1.1
209.11867	0.9
223.06120	1.0
229.25426	0.7
267.07202	0.8
296.05292	0.9
297.06299	1.4
299.09634	0.6
311.07779	3.7
335.12378	1.4
450.01254	0.5
505.13589	50.7
506.13797	5.8
514.42004	0.6
517.20160	0.7
536.89661	0.6
679.17535	7.0
680.19287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01384	6.6
65.03964	0.6
67.01888	5.4
68.85752	0.5
69.03449	1.3
71.01392	8.3
72.99326	0.8
73.02960	1.4
75.00896	0.5
78.95880	0.6
79.95753	0.6
81.03462	1.6
83.01389	1.2
83.05039	1.6
85.02953	4.8
87.00877	2.2
89.02470	2.6
93.03470	38.3
94.03837	1.2
95.01399	0.7
96.96023	26.8
98.19855	1.3
99.04567	0.6
101.02463	4.0
107.01416	0.9
108.02193	2.7
108.37905	0.6
108.82813	0.6
109.02950	2.8
111.00885	3.5
111.04544	5.1
113.02441	3.3
119.03546	0.8
119.04993	0.8
120.99734	0.6
121.02986	0.7
122.64625	0.5
123.00871	1.3
123.04539	3.1
124.01639	0.6
124.94495	0.6
125.02423	1.9
127.04037	0.8
133.03053	0.8
134.03758	13.7
135.04520	2.4
137.02472	8.0
143.03555	0.7
145.02992	0.9
147.03017	0.5
149.02461	1.1
149.06084	5.4
150.03125	0.8
151.00391	2.4
152.01157	3.0
152.97583	0.6
153.01949	2.5
154.86320	0.5
155.03506	7.0
160.01720	0.6
161.02460	1.6
161.04596	1.1
163.03966	0.7
165.01978	0.7
165.05646	0.7
167.03505	7.9
173.04564	100.0
174.04909	2.5
175.04042	1.1
177.01941	0.6
178.02719	7.4
179.03455	2.0
191.01933	1.0
191.05618	3.8
192.04305	1.3
192.06035	0.6
193.05074	21.9
194.05428	1.1
195.06647	0.9
201.11420	0.7
205.05183	0.5
207.06737	0.7
209.03026	1.1
209.11867	0.9
223.06120	1.0
229.25426	0.7
267.07202	0.8
296.05292	0.9
297.06299	1.4
299.09634	0.6
311.07779	3.7
335.12378	1.4
450.01254	0.5
505.13589	50.7
506.13797	5.8
514.42004	0.6
517.20160	0.7
536.89661	0.6
679.17535	7.0
680.19287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.7
61.98834	5.6
69.03468	2.6
71.01120	1.0
71.01398	10.2
73.02946	1.9
73.10588	1.3
75.00880	3.9
75.80326	1.2
83.01387	2.3
85.02959	7.8
87.00894	2.1
89.02461	3.8
93.03479	5.7
95.01395	1.3
96.96025	10.2
97.02955	3.3
99.04515	1.4
101.02445	3.8
107.05007	1.7
108.02171	2.4
109.02964	32.9
111.00899	3.6
111.70572	1.2
113.02452	3.3
119.03549	1.8
121.02963	4.8
129.01990	1.3
133.02934	3.3
134.03741	3.7
135.04544	100.0
136.04832	4.8
137.02455	11.2
137.06018	1.3
138.02827	2.5
143.05019	3.8
145.02934	2.2
145.06627	1.2
146.03674	1.7
147.04510	4.8
148.05304	4.4
149.02504	6.5
149.06099	43.7
150.03282	1.9
150.06422	3.0
151.04019	3.0
151.07649	3.1
159.04546	3.5
160.05334	1.5
161.02448	6.8
161.04753	2.3
161.06093	21.1
162.03186	2.0
163.04028	4.2
163.07779	2.4
164.04767	6.9
165.01855	1.6
165.05583	2.1
171.04553	6.3
173.04573	4.7
173.06096	4.5
174.03223	5.6
175.00383	7.1
175.02716	1.1
175.03989	7.1
177.05585	21.6
178.05881	1.5
179.03517	15.0
179.07124	3.1
185.06154	1.4
188.04796	2.0
189.05609	41.1
190.02716	24.2
190.06012	2.2
191.03459	4.6
191.05580	4.1
191.07188	4.9
193.05046	3.9
195.06624	3.7
203.07156	2.6
205.05084	28.8
206.05533	1.5
207.06659	49.2
208.06967	1.9
209.02904	1.4
219.06662	4.4
221.04587	28.5
223.06206	10.0
231.06665	13.5
235.06114	13.3
239.05562	8.2
249.07683	10.5
251.05684	3.2
265.07138	1.5
287.09271	1.3
293.06595	2.0
311.07733	17.2
312.08112	1.9
353.08777	1.3
367.10379	40.5
368.10641	3.5
369.11737	4.4
393.12460	1.5
401.10861	8.4
413.10864	5.5
415.12350	3.1
443.11926	2.6
455.11514	1.6
473.13205	2.2
477.13968	2.8
503.15515	4.6
517.17719	3.3
575.17883	14.2
576.18262	1.8
589.15686	2.8
607.16888	2.6
617.18738	1.5
619.16748	4.4
649.17883	4.1
668.20941	1.5
679.18671	1.6
679.24615	1.7
679.35614	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	679.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01390	17.0
61.98837	7.4
69.93226	1.0
71.01392	11.1
71.55968	1.4
72.99352	1.2
73.02940	1.9
82.95415	1.4
83.01387	2.2
85.02966	8.6
87.00871	2.0
87.04560	1.2
89.02453	6.3
93.03490	4.4
96.96024	14.0
99.92602	1.2
101.02467	6.4
108.02206	1.7
109.02942	4.5
111.00896	1.5
113.02472	5.8
116.92885	4.2
119.03532	1.6
119.05055	1.4
120.01227	1.0
121.02990	2.9
123.00901	2.2
123.04543	1.1
125.02422	1.8
128.03595	1.0
129.01945	1.5
132.02151	1.2
133.02968	1.3
134.03717	3.9
135.04541	4.0
136.01570	0.9
137.02455	13.9
139.03964	1.0
143.03505	1.2
145.02972	1.6
146.83922	0.9
149.02475	3.2
150.03252	2.3
151.00389	18.2
151.04036	1.3
152.01161	3.6
152.04787	1.8
153.01961	1.9
155.03464	1.1
159.04463	1.0
160.01669	3.0
160.04012	1.0
161.02428	3.0
161.04561	2.1
163.03995	1.3
164.04800	2.3
165.01950	1.5
166.02731	53.4
167.03339	3.4
173.04572	5.6
175.00397	1.3
175.03923	4.4
177.01910	3.8
178.02809	1.3
179.03590	2.0
179.07216	1.1
181.05081	67.0
182.05391	2.9
190.02718	1.9
190.06161	0.8
190.45192	0.8
191.01979	1.7
191.03627	1.1
191.05630	4.0
192.04185	2.6
193.05066	3.8
195.06552	0.9
195.30330	0.9
201.20137	0.9
205.05046	4.0
205.08676	1.3
207.06706	1.1
209.02957	1.5
209.04715	1.2
225.36458	0.9
316.09680	1.2
359.11197	1.4
371.11322	1.3
387.10815	12.3
388.11218	1.3
389.16147	1.1
402.13055	6.4
417.15582	100.0
418.15948	11.1
485.16336	1.1
517.29944	2.3
561.20105	1.8
601.18268	1.2
679.23737	1.5
679.35474	11.5
680.36108	1.2
687.85620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03434	1.4
58.00581	1.6
59.01387	36.8
60.01719	0.4
61.98820	2.0
67.01907	0.4
68.99817	0.6
69.03457	2.2
71.01391	35.3
71.55371	0.9
72.01682	0.5
72.99328	2.4
73.02627	0.4
73.02966	5.4
75.00864	0.8
80.96514	0.6
81.03470	1.3
83.01398	3.9
85.02514	0.6
85.02963	6.5
87.00343	0.5
87.00883	9.0
89.02455	32.2
93.03468	0.5
95.01391	2.1
97.02963	6.5
99.00908	2.2
101.02456	28.5
109.02918	1.0
109.70861	0.4
111.00883	0.6
111.04541	1.0
113.02464	14.5
114.02831	0.6
115.03967	0.5
117.25609	0.4
119.03516	8.7
119.63056	0.4
123.04619	0.5
125.02460	11.6
127.04118	0.6
131.03482	1.6
132.36040	0.4
133.05070	0.6
139.03996	0.6
141.02013	0.6
141.27100	0.5
143.03508	6.5
149.04579	0.8
161.04578	6.0
164.16202	0.4
167.03525	0.7
169.05028	0.5
179.05655	6.3
181.05043	0.6
185.04562	0.8
199.06258	0.5
203.05827	0.5
217.07152	1.3
219.05093	0.6
221.06689	2.5
235.08235	12.8
236.08498	0.5
245.06671	0.7
253.09291	3.4
263.07709	1.1
277.09314	0.9
281.24878	100.0
282.25229	8.2
287.07816	3.1
305.08749	3.9
323.09872	1.5
379.12585	0.9
397.13531	79.6
398.13870	6.2
415.14612	30.9
416.14804	2.6
474.37137	0.5
479.45633	0.5
657.46521	0.5
679.38843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03445	1.5
58.00596	1.8
59.01384	36.6
60.01713	0.4
61.98827	0.4
68.99840	0.3
69.03468	2.4
69.41351	1.2
69.41769	0.6
71.01388	32.5
72.01742	0.4
72.99306	2.4
73.02953	5.3
75.00885	0.6
81.03469	1.2
82.84497	0.2
83.01395	3.6
85.02959	7.2
87.00885	8.3
89.02452	27.3
90.02775	0.4
90.12165	0.3
91.04053	0.5
93.03480	0.4
95.01380	2.5
97.02954	6.3
99.00899	1.9
99.04517	0.4
101.02451	28.1
102.02801	0.5
103.04005	0.4
109.02955	0.9
111.00896	0.6
111.04511	0.5
111.73906	0.2
113.02457	13.7
114.02831	0.5
115.04023	0.8
119.03513	9.4
121.02982	0.6
123.00886	0.3
123.04579	0.4
124.01682	0.4
125.02457	12.0
127.04037	0.4
129.01904	0.3
131.03503	1.8
133.05080	1.1
135.17911	0.2
137.02441	0.3
139.04042	1.1
141.01923	0.6
143.03502	6.0
149.04587	0.6
151.04010	0.4
153.93150	0.2
161.04573	6.3
163.04088	0.3
167.03477	0.5
169.05063	0.6
171.03008	0.3
174.49080	0.3
179.05618	5.9
186.75549	0.2
187.15871	0.3
199.06119	0.4
203.05643	0.5
217.07205	0.9
219.05058	0.3
221.06732	2.1
226.99278	0.3
235.08228	12.9
236.08598	0.6
239.69762	0.2
245.06720	1.1
253.09276	3.1
263.07672	1.6
277.09293	1.1
281.24863	100.0
282.25232	8.9
287.07761	2.9
295.26443	0.8
305.08813	3.5
306.09058	0.5
323.09796	1.7
361.11508	0.6
379.12439	0.8
397.13507	75.4
398.13837	5.8
415.14578	30.7
416.14893	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	681.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40490	0.5
56.90268	0.5
57.03451	1.1
59.01368	2.0
68.02258	0.5
70.86564	1.2
70.86913	0.6
71.01389	2.0
72.03265	0.5
72.99303	0.7
73.02968	0.7
75.00883	5.0
85.02954	6.8
87.00887	12.9
93.03481	2.9
96.96008	0.8
99.00887	2.0
101.02437	1.5
105.01936	13.5
107.05054	0.7
109.02989	0.6
111.00886	1.5
111.04539	0.9
121.02979	0.7
129.01978	2.9
133.02989	0.8
134.03772	3.7
135.04538	35.8
136.04851	1.0
147.02986	3.7
161.02419	1.0
165.04053	100.0
166.04405	2.9
173.04544	7.5
179.03508	24.9
180.03856	1.2
191.05626	25.5
192.06085	1.2
205.03484	1.1
300.87891	0.6
305.67001	0.5
327.07233	29.9
328.07629	2.5
353.08804	9.6
452.64429	0.6
509.91690	0.6
627.82703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.3
57.03457	19.5
59.01378	5.9
67.01904	1.6
67.19623	1.5
70.99796	1.4
71.01385	9.4
73.02965	3.3
75.00877	6.2
83.01397	8.0
85.02964	100.0
86.03301	2.4
87.00892	4.1
89.02458	2.9
90.11730	1.5
93.03479	4.9
96.96026	8.3
99.00896	2.0
101.02451	5.2
105.01971	4.4
109.03001	2.5
111.00904	25.8
111.04469	1.8
113.02457	1.8
121.02978	19.5
121.14930	1.5
128.50081	1.4
129.01961	66.5
130.02310	1.9
134.51778	1.6
135.04547	22.2
137.02448	3.5
161.02539	2.3
161.04568	5.2
165.04059	46.0
173.04576	13.0
179.03491	14.5
187.02515	4.1
190.02739	1.9
191.05632	21.2
195.06543	2.3
205.03546	33.1
205.05313	2.4
209.02992	1.7
255.10410	2.2
256.10605	2.2
327.07266	62.1
328.07486	3.5
353.08807	9.9
389.10794	1.5
681.20740	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	681.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06135	12.3
59.01373	13.6
61.98835	100.0
71.56408	16.3
78.95899	13.4
81.23782	14.3
81.72742	12.9
85.02959	13.0
96.96057	17.4
111.46529	12.4
112.77892	12.1
171.10327	12.9
185.00618	13.4
219.49129	11.2
277.21753	39.3
283.26526	21.0
397.13293	17.5
445.23819	29.8
669.06158	13.6
681.37970	53.8
682.37982	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	683.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.0
59.01390	22.0
61.98841	2.1
69.03458	5.3
69.37096	8.1
69.37518	7.8
71.01394	30.5
72.99292	2.7
73.02946	6.9
75.79483	2.2
76.32855	2.1
82.74226	2.0
83.01390	7.6
85.02975	14.2
87.00893	14.4
89.02486	11.1
93.03471	66.4
93.04023	4.6
95.01392	3.8
96.96010	14.7
99.00900	4.9
101.02470	15.9
108.02195	7.1
109.02939	3.9
111.00897	17.3
112.98811	3.6
113.02452	10.8
115.00381	5.4
120.01362	2.5
121.02934	2.6
123.00892	3.2
123.04497	2.2
125.02430	3.1
129.01964	2.7
131.03481	3.8
133.01439	3.6
133.02945	6.6
134.03786	2.7
135.04546	8.2
136.01662	6.8
137.02464	100.0
138.03201	6.9
145.02951	3.9
147.04544	6.7
149.02396	2.4
149.04546	5.4
151.00374	3.2
151.04085	5.3
152.01195	4.0
153.01996	4.3
153.05579	5.2
161.02419	9.6
161.04572	2.4
163.04019	3.7
164.04874	2.8
166.02718	10.0
173.00850	3.1
173.04588	30.5
175.00325	2.2
176.04785	7.2
177.01973	7.1
177.05510	3.6
179.03484	18.7
179.07060	5.1
181.05092	8.2
190.02774	3.3
191.02022	3.3
191.03555	10.5
191.05605	13.5
191.07169	4.0
193.08577	2.2
194.05917	10.9
195.06570	2.5
203.03467	2.1
205.05093	8.4
206.05887	10.9
209.08258	11.7
219.02995	4.5
221.04518	2.9
221.08171	15.1
223.06184	3.5
234.05319	6.2
235.06084	2.4
247.06157	4.7
249.03983	3.5
249.07733	5.3
250.04655	2.8
261.03891	2.8
262.04831	4.6
264.06067	2.8
265.07172	8.3
277.07138	4.3
281.03677	4.4
281.06705	52.5
282.06857	3.2
337.09354	3.4
353.08826	2.7
463.12460	6.3
503.15668	13.1
505.13474	3.5
519.15094	5.6
531.15131	3.4
547.14581	33.0
548.15643	4.4
573.16150	3.0
607.16547	15.9
614.32086	2.7
619.16919	11.4
665.06049	3.8
665.17297	69.8
666.17700	13.7
683.18402	72.4
684.18347	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	683.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95869	1.1
55.01857	2.7
59.01382	7.5
63.24345	1.1
67.01897	2.0
68.99834	1.7
69.18630	9.4
71.01390	16.5
72.99300	2.3
73.02940	4.4
83.01395	6.4
85.02956	9.3
85.27531	1.4
87.00887	17.3
89.02450	3.7
90.24077	1.2
93.03470	62.1
95.01414	2.3
96.96023	8.6
96.99361	1.6
99.00870	2.4
101.02464	11.9
105.03463	1.5
108.02196	2.1
109.02959	3.2
111.00900	20.1
111.04570	1.4
111.43435	1.2
112.98821	1.7
113.02456	4.8
115.00382	1.6
121.02934	4.8
123.00942	1.9
123.04552	1.2
125.02451	2.1
127.03921	1.3
129.01912	1.1
133.01416	1.7
133.02957	8.1
134.03719	1.7
135.04552	8.2
135.97800	1.4
136.01659	6.0
137.02461	100.0
138.03166	5.4
142.99841	1.6
143.44493	1.0
145.02888	1.5
147.04483	2.1
149.02408	2.5
151.00333	1.4
151.04037	4.5
153.05603	6.3
155.03471	1.7
161.02504	7.9
161.04588	1.4
163.03973	4.1
164.04782	3.6
165.05592	1.7
166.02692	5.5
173.04523	3.5
176.04776	4.5
177.01939	7.2
177.05574	3.2
179.03537	16.5
179.07152	3.9
181.05064	7.3
182.02126	2.4
183.08192	1.2
191.03513	5.2
191.05627	6.4
191.07137	2.5
193.05060	2.4
193.08710	1.4
194.05873	12.1
195.06264	1.5
197.04544	2.8
203.03641	1.8
205.05095	3.5
206.05763	3.9
207.03137	1.5
207.06613	2.3
209.04565	1.5
209.08220	11.6
219.03027	8.2
221.04483	2.5
221.08180	5.0
222.05310	2.6
223.06032	1.6
231.03014	1.8
232.03687	1.9
233.04576	1.4
234.05351	8.9
235.06071	2.5
237.07590	2.0
246.05344	1.5
247.06129	4.1
248.06822	1.4
249.04054	4.4
249.07697	12.7
263.05679	1.2
264.06393	3.8
265.07184	5.5
276.06207	2.4
281.06702	42.2
282.07144	1.7
327.08807	1.8
335.07785	3.7
342.10983	2.0
353.08759	2.2
367.10309	1.4
405.15607	2.5
463.12473	3.3
479.11768	9.8
491.15668	3.7
503.15494	5.0
505.13608	3.7
517.14453	1.5
519.15143	6.4
531.15118	10.6
547.14502	23.4
548.15210	2.0
549.16388	2.4
573.15887	7.0
607.16870	7.3
619.16528	3.9
634.24744	1.3
639.19269	3.5
665.17279	46.5
666.16992	7.8
683.18323	64.2
684.18713	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	683.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16103	1.0
57.03445	1.6
59.01158	1.0
59.01389	12.2
61.98820	2.5
71.01392	12.2
71.34859	1.7
73.02950	3.0
75.00890	0.9
83.01385	1.7
85.02973	5.5
87.00883	2.0
88.98800	2.3
89.02454	4.4
93.03474	5.4
96.96012	6.5
97.02994	1.4
97.43098	1.1
99.00865	2.1
101.02467	6.6
108.02192	56.8
109.03001	14.8
113.02448	3.9
119.03526	1.6
120.01276	1.5
121.02988	6.0
123.04534	1.7
124.26798	1.0
125.02405	1.9
133.03001	1.4
134.03746	1.3
135.04564	5.1
137.02444	4.5
139.04028	1.3
145.02867	1.1
147.04610	1.4
148.01717	1.6
149.02441	17.8
150.03191	4.5
151.03986	3.0
152.01172	72.3
153.01959	15.5
161.02437	2.7
161.04535	2.2
163.04004	2.5
164.04811	9.0
165.01970	1.9
165.05501	2.4
166.02776	1.2
167.03505	1.7
173.04535	3.8
175.00371	6.2
175.03978	1.2
176.01163	13.6
177.01848	1.1
179.03516	2.5
179.05550	1.2
179.06984	1.1
181.12408	0.9
190.02742	15.0
191.01982	1.8
191.03491	19.6
191.05563	3.8
192.03854	1.4
193.05013	1.3
194.02264	1.5
195.02908	1.3
195.11784	0.9
205.05104	9.8
207.10315	1.6
209.04500	3.8
223.06194	6.9
225.11298	3.4
257.04666	2.4
265.07260	1.4
281.06644	1.3
351.39441	1.0
353.08640	1.1
367.21979	1.2
443.10333	2.0
459.11511	1.7
477.12488	10.2
521.12671	2.0
623.25366	4.5
683.18268	100.0
684.18634	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	683.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03436	1.0
58.00597	1.5
58.18949	0.5
59.01385	45.6
69.33787	4.2
71.01389	33.4
72.99304	1.4
73.02940	1.0
83.01366	0.8
85.02969	4.6
86.60421	0.5
87.00888	2.0
89.02451	43.5
90.02798	0.8
95.01385	1.8
101.01787	1.0
101.02454	16.9
106.51638	0.4
113.01637	0.5
113.02461	14.2
119.03515	14.3
131.03510	2.4
137.02473	0.5
143.03539	2.7
149.04623	1.0
161.04550	4.1
179.05623	18.4
179.07219	0.9
180.06073	0.8
192.79192	0.5
291.02496	0.6
310.34000	0.6
328.53583	0.6
341.10904	100.0
342.11261	6.4
426.77170	0.5
605.52374	0.5
650.44360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19568	11.4
59.01377	13.0
61.98842	70.2
67.25814	9.8
71.55376	13.5
78.95924	18.3
90.90874	10.3
128.52972	9.0
167.01167	13.7
177.31264	9.8
221.02960	10.1
255.23286	49.0
277.21701	100.0
279.23300	42.3
410.96451	10.7
447.25198	28.0
683.38226	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06963	0.5
55.01891	0.6
57.03454	4.1
59.01385	5.3
61.36197	0.7
61.98841	4.9
69.03467	1.4
71.01376	3.6
71.19121	1.3
71.74423	0.5
73.02960	1.9
78.95905	1.0
80.02692	0.8
81.71191	0.5
83.01402	0.9
83.05042	0.9
85.02968	1.9
85.22609	0.6
86.00136	0.5
87.00909	2.7
89.02456	1.8
95.05044	1.6
96.92580	0.6
97.06599	16.8
101.02473	5.4
101.51442	0.5
113.02462	1.9
121.35775	0.5
123.08186	9.9
125.09741	94.8
126.10085	3.2
128.27486	0.6
143.10759	0.8
145.05093	1.5
161.04593	1.6
169.08733	2.2
172.32698	0.5
173.14107	0.6
187.09776	34.8
188.10091	2.2
204.13046	0.6
216.58493	0.5
233.22816	0.7
235.08228	3.2
253.06790	0.7
253.09276	2.8
277.21750	46.7
278.22107	4.2
405.17722	5.9
423.18597	5.8
424.19009	0.8
521.34894	0.8
584.82312	0.7
683.40179	100.0
684.40485	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	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89745	0.5
51.65085	0.5
57.03453	3.7
59.01384	6.4
61.98839	3.1
69.03471	0.9
69.34930	3.6
71.01386	5.0
73.02973	0.8
78.95920	0.6
83.05020	0.8
85.02956	1.1
87.00891	0.9
89.02462	4.7
95.05023	1.1
97.06601	13.2
98.19910	0.8
98.92693	0.5
101.02455	4.0
113.02456	2.7
119.03543	0.7
123.08193	6.7
125.09739	100.0
126.10104	3.6
138.32259	0.5
143.10814	1.5
147.44293	0.5
169.08754	2.2
171.55524	0.5
187.09775	70.9
188.10112	3.5
211.09798	1.3
217.70113	0.5
253.09270	1.9
255.23364	1.0
256.93427	0.5
261.13467	1.1
277.21738	17.0
278.22150	1.5
279.23184	1.1
302.23761	0.5
405.17664	6.1
423.18768	19.7
424.19022	2.7
447.24966	1.1
449.78763	0.6
683.40143	94.5
684.28619	1.0
684.40509	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.4
59.01386	40.6
60.91649	1.1
61.98838	18.3
69.03484	1.6
69.34976	7.2
69.35383	2.4
71.01386	17.0
73.02959	6.3
83.01390	5.1
83.05042	1.4
85.02970	7.0
87.00883	5.2
88.98827	3.6
89.02448	9.9
93.03490	6.5
95.01398	2.1
96.96021	11.3
98.19859	2.1
99.00889	2.0
101.02452	13.2
108.02193	3.1
109.02988	2.7
111.00884	1.6
111.04524	1.8
113.02467	8.8
117.03469	3.0
119.03507	3.0
119.05058	3.0
121.02966	3.0
123.04524	2.8
125.02426	4.4
132.02196	20.4
132.03156	1.6
133.03012	7.8
134.03755	58.7
135.04411	2.9
136.05243	1.3
137.02461	11.8
143.03508	2.4
145.02937	1.3
147.04478	1.6
149.06056	8.6
150.03185	1.7
150.06834	5.2
151.03976	2.1
151.07613	1.2
152.05957	1.2
152.07240	1.2
160.01675	81.3
161.02196	4.7
161.04561	3.8
163.04015	4.4
163.07664	2.2
165.05511	2.1
167.03418	1.8
173.04552	5.9
175.04019	100.0
176.04405	6.8
177.01955	1.9
177.05623	1.4
178.02722	8.0
179.03519	3.1
179.05586	2.1
179.07057	1.4
179.10753	1.7
187.04024	2.0
190.02779	2.0
191.05620	4.7
193.05083	47.8
194.05420	2.6
195.06641	1.8
205.05112	2.3
229.08646	2.3
235.06073	2.6
247.06154	2.5
265.07169	3.7
281.06650	1.3
314.04065	1.9
319.08160	2.1
329.07138	1.4
337.09253	3.9
361.16550	3.2
379.10300	10.5
389.16068	1.5
445.31345	1.2
523.14563	4.7
523.32916	4.8
541.15839	8.5
542.16107	1.7
559.17004	8.6
565.15936	2.9
583.16803	16.2
584.17096	1.6
601.17883	28.0
602.18396	4.1
625.17712	10.2
643.18817	23.0
644.19434	3.1
685.19598	5.5
685.38354	24.1
686.38647	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	685.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01383	1.5
67.01904	0.5
71.01388	3.0
71.56425	0.6
73.02948	1.1
81.03493	0.6
83.05042	1.5
83.54427	0.5
85.02987	2.8
87.00887	1.0
89.02448	1.0
93.03476	8.4
96.96014	4.1
101.02471	0.5
108.02166	0.7
109.02956	1.6
111.00903	2.0
111.04537	4.7
113.02479	0.8
116.92872	2.4
119.09066	0.6
121.02976	1.2
126.74683	0.4
129.01929	0.6
129.44594	0.6
133.02991	1.5
134.03760	38.8
135.04404	1.1
137.02458	9.9
139.04019	2.7
149.06116	13.4
150.03297	0.6
152.01163	0.5
153.02000	1.0
155.00082	0.7
155.03482	3.9
159.83905	0.5
163.04051	0.9
165.01988	0.6
173.04564	27.4
174.04836	1.1
178.02730	28.8
179.03333	1.7
189.05455	0.5
191.04099	0.8
191.05634	4.8
193.05077	100.0
194.05453	4.2
266.92334	0.5
275.56601	0.6
295.22321	0.6
296.35983	0.5
353.08719	0.9
355.10251	1.5
493.13260	0.9
511.14685	9.2
512.14795	1.4
565.16034	0.9
626.60571	0.6
685.19836	16.9
686.19672	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	685.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62497	1.3
56.98038	1.4
57.03432	1.5
58.99592	3.8
59.01385	19.2
61.98833	1.4
69.54308	2.5
69.54710	8.6
71.01398	12.3
73.02927	1.4
74.99096	2.9
75.00879	1.5
83.01383	2.1
85.02959	9.7
87.00876	2.7
89.02463	5.2
93.03463	12.2
95.01384	2.2
96.96021	5.1
98.96689	1.5
101.02455	4.9
108.01464	2.8
108.02185	56.0
109.02972	33.7
111.00891	4.0
111.04485	2.1
113.02445	4.8
116.92868	2.2
118.15816	1.6
118.98058	3.2
119.03513	2.7
120.99637	3.4
121.02978	1.9
123.00918	1.8
123.04533	2.8
133.02960	2.2
134.03754	3.6
135.04550	14.6
136.01688	3.2
137.02464	9.8
145.02968	1.8
149.02429	2.1
149.06091	2.2
151.04021	4.2
152.01167	58.8
153.01956	23.2
161.02510	2.4
163.04033	1.7
164.04767	2.7
165.01848	2.5
165.05490	1.4
173.04573	12.3
174.04851	2.8
175.05182	1.8
177.01917	1.9
179.03485	8.1
190.02737	3.5
191.05556	8.2
193.04936	2.2
205.05061	3.2
207.10226	1.7
209.11783	7.5
227.12900	1.9
236.43790	1.4
253.09448	2.0
299.05673	1.7
315.07300	6.3
377.51459	1.4
387.16425	2.1
394.28851	1.5
455.11841	2.7
529.36383	1.6
685.23547	100.0
686.23737	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13158	0.8
59.01385	12.3
61.98824	0.9
71.01390	8.9
71.56683	1.4
72.99282	1.1
73.02946	1.7
81.03455	1.0
83.01405	0.8
85.02948	6.6
87.00868	1.1
89.02453	2.8
93.03458	4.0
93.79117	0.8
95.01386	2.2
96.96036	2.0
101.02451	5.7
108.02187	56.2
109.02979	33.2
110.03277	1.2
113.02461	2.9
121.02958	2.3
123.00912	1.9
123.04510	2.1
125.02520	1.3
125.15300	0.8
125.70283	0.9
133.02942	1.0
134.03764	1.2
135.04515	1.6
137.02478	4.6
139.65393	0.8
146.81871	0.8
149.02419	0.9
151.03981	1.9
152.01161	57.5
153.01974	21.9
161.04698	1.0
163.04063	2.5
163.11288	3.4
165.01939	2.2
165.05521	1.0
173.04593	2.9
179.03479	1.9
191.05652	3.3
207.10080	0.9
209.11830	3.2
277.37643	0.8
280.28186	1.0
297.06326	1.4
315.07242	7.3
357.08258	1.2
387.16711	2.0
507.18509	0.9
685.23578	100.0
686.23834	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90703	0.5
52.59183	0.5
56.33866	0.5
57.03456	1.0
59.01110	0.9
59.01386	15.6
61.98821	0.8
69.03451	0.6
69.91861	1.4
69.92248	1.4
71.01389	9.3
72.99330	0.8
73.02947	1.5
74.99096	1.2
78.95925	1.3
79.01933	0.6
80.20468	0.6
81.03452	1.5
83.01409	1.1
83.66481	0.6
85.02960	7.2
87.00866	1.2
87.59315	0.6
88.98849	0.7
89.02467	3.5
90.86234	0.5
93.03466	5.8
95.01389	2.8
96.96010	2.5
98.20581	1.0
99.00882	1.0
101.02456	5.8
101.12064	0.6
103.08936	0.7
108.02187	63.9
109.02975	38.3
110.03295	0.9
111.00902	0.9
113.02446	3.2
115.25867	0.6
116.92844	2.1
119.03484	1.9
119.04962	0.6
120.99641	1.0
121.02967	2.2
122.03693	0.7
123.00866	1.9
123.04480	1.4
125.02448	1.1
133.02969	1.6
134.03708	1.4
135.04518	4.7
137.02475	3.8
138.02765	0.8
149.02412	2.4
150.03268	0.9
151.04013	2.9
152.01164	55.5
153.01961	23.0
154.02232	0.7
161.04500	0.8
163.03976	2.9
163.11276	1.2
164.04762	1.1
165.01930	2.6
165.05548	0.7
173.04546	2.5
175.00377	1.6
175.03970	0.7
179.03439	2.0
179.05673	0.5
180.04317	0.7
190.02769	2.6
191.05634	5.1
191.28050	0.6
193.04987	0.7
195.03018	0.6
195.06609	1.9
205.05086	2.5
209.11862	3.4
223.06137	2.1
315.07184	6.7
316.07260	0.9
341.10934	2.1
357.08313	0.7
361.18579	2.2
367.09680	0.7
387.16882	0.8
400.96756	0.6
447.37946	0.6
489.16177	1.0
507.18835	1.5
508.35651	0.6
685.23505	100.0
686.24005	17.5
709.04065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50189	1.1
59.01389	24.9
61.98820	2.0
67.01888	1.9
69.32546	2.8
69.32950	6.9
69.50797	1.1
71.01389	13.0
72.99305	4.3
75.00887	9.5
83.01404	1.6
85.02967	18.0
87.00880	3.9
89.02443	4.6
93.03471	5.8
95.01398	2.3
96.96021	4.1
99.00879	5.1
101.02453	4.4
101.06099	59.5
102.06418	2.2
103.00415	1.1
108.02198	10.9
109.02989	6.6
109.50169	1.2
111.00872	1.5
113.02472	15.0
113.37014	1.3
115.00320	2.0
117.01939	2.4
129.01953	1.6
130.63503	1.1
134.03856	1.4
135.04517	3.9
137.02444	2.0
139.00403	1.2
144.01320	1.0
152.01202	8.9
153.02011	5.2
161.04550	1.3
165.01959	1.4
165.05724	1.1
173.04564	3.3
179.07097	1.2
191.05667	8.0
193.04985	2.3
194.05513	1.1
194.43481	1.1
195.06590	1.0
199.04182	1.1
247.11946	1.4
249.06140	8.6
268.62189	1.1
315.07556	1.1
329.13770	1.8
351.12979	100.0
352.13318	9.0
523.14673	3.3
685.23462	16.8
686.25018	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	685.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.3
59.01386	31.3
61.98834	33.1
62.03753	2.0
62.70100	2.1
69.03452	2.6
69.19897	22.0
71.01388	21.4
73.02955	5.0
73.89343	1.9
75.00858	2.3
83.01366	3.4
85.02961	11.7
87.00872	3.0
88.98801	2.5
89.02451	15.8
93.03476	6.4
95.01392	3.3
96.96015	15.8
97.02966	2.7
99.00880	2.3
99.04528	2.2
101.02451	16.0
109.02988	2.8
113.02448	8.3
114.05172	1.8
116.92856	2.7
118.52659	2.1
119.03495	4.8
119.05047	3.5
119.62871	2.4
121.02966	4.4
123.00961	2.6
125.02499	2.8
129.01936	2.7
133.02931	2.3
134.03717	3.5
135.04556	3.9
136.05264	4.7
137.02449	8.9
146.14932	2.3
148.05321	4.1
149.02525	2.2
150.03268	2.6
150.06892	2.8
160.01642	6.9
161.02428	3.9
161.04565	6.7
162.06841	2.9
163.07672	4.3
165.09222	4.2
166.02698	2.7
167.03526	2.3
173.04588	7.9
175.03949	5.5
177.09206	2.0
179.03557	4.7
179.05539	3.2
190.02589	2.6
191.05586	9.1
193.05064	5.0
205.05043	2.7
251.57240	2.2
304.33142	2.2
330.06662	2.3
388.43027	2.2
399.16989	2.2
426.30350	2.3
432.86710	2.1
435.83673	2.3
444.33368	2.2
481.35172	10.3
487.32825	4.2
529.35321	2.2
649.38080	100.0
650.38605	17.5
651.95135	2.2
685.22498	3.1
685.36200	29.3
686.35938	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	685.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01386	8.4
61.98838	4.8
71.01390	5.7
71.10889	1.2
72.99286	0.5
73.02938	1.2
83.01378	0.6
83.05055	0.8
85.02958	4.0
87.00880	1.8
88.98753	0.4
89.02454	4.2
93.03464	3.0
95.01399	0.5
96.95418	0.7
96.96021	5.2
98.95567	0.5
99.04492	0.8
101.02463	3.5
108.02180	0.5
109.02974	0.6
109.06535	0.4
109.23080	0.5
110.06961	0.5
110.60471	0.5
111.08181	0.5
111.26934	0.4
113.02465	3.2
113.06102	0.5
116.92888	0.8
119.03492	1.5
119.05038	1.2
120.99704	0.5
121.02959	0.8
123.04546	0.5
123.08170	0.9
125.02482	0.7
132.02214	0.9
134.03751	3.5
135.04538	1.3
136.05270	0.7
137.02486	4.3
137.09720	0.6
142.04158	0.5
142.55313	0.4
148.05341	0.5
149.06059	2.0
150.06882	33.3
151.07387	1.1
153.01958	0.8
160.01660	3.4
161.02374	0.5
161.04504	0.5
162.06882	1.0
163.04002	1.1
163.07669	6.5
164.08424	7.2
165.05551	0.6
173.04607	1.1
175.03998	3.8
176.08411	0.6
177.09187	0.8
178.02708	0.5
178.09988	1.6
179.03461	0.7
179.05612	1.0
179.10793	17.5
180.04279	0.7
180.11128	1.3
191.05669	2.3
193.05026	2.6
195.06728	1.1
205.05038	0.8
207.10179	0.6
209.11871	0.6
225.11522	0.5
275.51794	0.5
292.20297	0.5
306.18274	1.7
320.19843	0.8
321.20767	1.0
335.22382	0.5
341.23386	0.9
343.21201	4.5
379.10187	0.6
459.30954	0.6
462.29892	2.2
477.32187	7.6
478.32785	1.0
482.17154	0.9
504.30533	1.1
505.31653	1.8
508.85599	0.5
522.32001	2.1
523.32788	26.4
524.33075	3.5
578.25012	0.4
578.35358	0.5
601.17834	0.8
643.18781	1.0
658.77563	0.5
667.34381	0.5
685.38116	100.0
686.38483	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01377	1.0
61.98827	1.6
63.41788	0.4
71.01386	1.3
83.01420	0.6
85.02956	0.6
93.03466	3.6
93.45027	0.4
96.96050	1.3
98.20659	1.0
101.02464	0.9
105.03432	0.5
108.02145	1.0
109.02967	0.7
119.05067	0.5
121.02983	2.7
122.03751	8.4
125.02475	0.7
133.02989	1.2
134.03717	0.6
135.04507	0.8
136.01700	1.0
137.02457	2.4
149.02455	13.5
150.03241	57.0
151.00397	1.0
151.03635	2.3
161.02461	3.8
163.04001	0.6
164.04820	1.9
165.05580	59.2
166.05888	2.2
169.01457	1.6
173.04564	0.5
175.04088	0.5
179.03494	1.4
180.04292	5.5
185.02533	0.6
191.05632	1.0
194.05870	0.6
195.06645	29.1
196.06921	1.2
198.03354	0.7
199.04048	0.8
200.61217	0.4
201.65732	0.5
203.03506	1.5
204.01718	0.5
209.08299	0.7
226.02713	1.8
227.03532	6.0
229.01323	0.5
242.02214	0.4
243.02905	2.7
255.02971	0.5
270.01682	2.6
271.02484	15.6
272.02863	0.8
281.06671	1.8
283.06229	0.9
284.03122	0.6
285.04065	7.5
286.04492	0.8
297.04156	0.6
298.04550	0.8
299.01984	44.3
300.02390	3.7
311.05621	1.6
313.03561	11.0
313.06982	0.8
314.04327	48.2
315.04666	4.1
327.05191	0.7
328.05893	3.6
329.06668	100.0
330.07028	7.5
357.88446	0.5
371.07599	1.4
433.09421	0.7
461.07391	3.5
476.03809	0.5
476.09564	2.3
477.12045	6.1
478.12589	0.9
491.11957	10.6
492.12329	0.7
507.13626	0.6
525.14038	78.4
526.14392	11.0
624.28027	0.5
687.22174	0.6
687.34576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03127	0.8
57.03437	1.3
59.01388	6.7
61.98814	1.5
64.43409	0.9
71.01388	6.7
73.02962	1.4
80.96536	1.4
81.03432	1.6
83.01376	1.9
85.02953	4.1
89.02425	2.9
93.03489	5.2
95.01377	1.2
96.96027	5.1
97.02935	1.3
99.00883	1.1
101.02442	2.4
107.01389	2.6
108.02184	57.6
109.02974	21.0
111.00905	1.3
113.02453	1.8
114.48483	0.9
115.04919	0.9
117.03450	0.9
119.05055	1.1
121.02950	4.1
122.03767	6.1
123.00854	2.1
123.04521	4.4
124.01643	1.0
125.02439	3.5
125.30431	0.8
125.32785	1.3
128.42650	1.0
132.02156	3.1
133.02969	5.7
134.03795	6.3
134.21700	0.9
134.97575	1.1
135.00859	1.4
135.04552	7.6
136.01636	3.1
137.02472	7.0
139.04021	1.2
146.03726	2.9
147.04489	1.6
149.02420	10.1
149.06110	3.6
150.03252	28.3
150.06467	1.0
151.00391	6.4
151.04021	9.5
152.01175	59.7
153.01968	19.3
160.00473	1.4
160.01675	19.1
161.02493	10.4
161.06056	2.6
163.03970	1.2
164.04771	3.3
164.39577	0.9
165.01871	3.0
165.05594	25.4
166.02701	2.0
167.03461	3.0
169.01372	3.4
173.04575	1.1
175.02568	1.5
175.04021	20.3
177.01869	1.2
179.03477	3.5
179.05617	1.0
179.07097	2.9
180.04263	2.8
181.01398	1.5
181.05057	3.8
189.05594	3.5
190.02705	4.4
191.01880	1.0
191.05638	3.8
193.01205	1.0
193.05052	6.2
195.06667	5.9
198.03156	1.6
202.02689	1.8
205.05017	5.2
207.06567	3.8
214.02774	1.3
223.06091	1.4
225.00566	1.0
226.02695	3.9
227.03331	1.5
229.53108	1.5
241.05112	6.0
242.02217	2.6
243.09280	1.2
256.07462	4.5
270.01730	9.5
271.02319	2.2
271.09930	4.6
281.06555	3.5
282.05222	2.1
284.03238	1.4
285.04083	23.6
286.04391	2.2
299.02164	7.4
299.05460	1.6
300.02545	1.1
309.03989	1.7
311.07590	3.1
313.03568	36.8
314.04202	12.5
315.07379	1.7
327.05103	3.8
328.05917	67.8
329.06583	20.3
330.07285	1.0
331.06732	8.2
337.09229	3.7
367.10324	8.6
415.05020	2.1
476.09406	1.6
477.11847	3.7
478.12122	1.3
489.10559	3.4
490.11209	10.5
491.11917	16.0
492.12112	1.5
505.13300	2.5
507.14456	4.4
525.13794	2.7
545.16162	1.3
563.13104	1.6
589.15778	1.2
669.17969	1.3
687.19257	100.0
688.19403	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	687.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45004	0.4
55.48743	0.3
59.01378	0.9
61.98839	2.2
64.17931	0.4
68.18928	0.3
69.35870	1.3
69.36292	2.1
71.01393	1.0
81.71043	0.4
85.02940	0.6
93.03473	2.4
101.02438	0.7
109.02974	0.7
121.02975	2.2
122.03757	5.9
133.02914	0.9
134.03703	0.5
135.04523	0.9
136.01756	0.7
137.02449	1.5
149.02451	8.6
150.03239	47.3
151.03604	1.4
160.01646	0.6
161.02428	2.9
163.04024	0.6
164.04822	1.5
164.88463	0.4
165.05580	52.0
166.05923	2.0
173.04601	0.7
179.03438	0.4
180.04271	3.3
181.04781	0.4
185.02388	0.5
191.05537	0.6
195.06638	26.9
196.06996	1.3
198.03287	0.6
199.03999	0.4
202.02594	0.5
203.03523	1.4
226.02739	1.8
227.03493	5.0
228.03957	0.5
229.01419	0.5
242.02271	0.6
243.03001	3.1
270.01697	2.9
271.02490	12.6
272.03091	0.5
285.04031	7.2
286.04279	0.5
297.04147	0.5
299.02002	35.1
300.02469	2.3
312.02658	0.4
313.03543	11.1
314.04340	37.3
315.04675	2.1
327.05179	1.0
328.05814	2.5
329.06674	100.0
330.07047	8.2
343.04535	1.0
371.07813	0.7
461.07343	2.5
476.09528	2.7
477.11215	0.5
491.12006	10.0
492.12283	1.0
498.85214	0.4
525.14020	38.9
526.14343	5.0
687.39410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30757	0.8
59.01389	6.4
61.39805	0.7
61.98820	3.8
64.08015	0.9
67.01915	1.0
71.01386	6.3
71.56801	1.2
71.57146	1.0
73.02923	1.2
75.00870	0.9
81.39137	0.8
83.01389	2.4
83.05076	0.8
85.02964	4.2
88.43388	1.0
89.02446	2.4
93.03474	6.7
95.01380	1.6
96.96025	7.4
101.02427	3.6
107.01395	1.9
107.04977	0.9
108.02196	4.2
109.02977	5.1
111.00887	1.5
111.04533	1.5
111.17025	0.8
113.02461	1.4
119.05013	3.8
121.02948	6.6
122.03758	12.6
123.04511	3.7
124.01698	1.1
125.02443	3.0
127.03986	0.9
132.02197	1.1
133.02956	2.9
134.03748	2.2
135.04500	3.9
136.01642	3.2
136.86092	0.9
137.02499	4.8
145.03003	0.8
149.02466	17.2
150.03247	85.8
151.00392	6.8
151.03967	4.2
152.01137	3.6
153.01917	3.1
160.01678	1.4
161.02452	5.7
163.04080	4.5
164.04823	4.5
165.01918	2.0
165.05591	78.9
166.02711	0.9
166.05882	3.4
167.03532	5.9
169.01482	5.0
173.04527	3.3
174.03230	1.3
174.04781	0.9
175.04004	2.4
176.04758	1.4
179.03520	2.5
179.05551	1.1
180.04291	7.6
185.02274	0.9
190.02673	1.2
191.05650	4.2
195.06651	31.6
196.06963	1.6
201.01938	1.1
202.02631	1.2
203.03543	1.9
208.94647	0.9
209.02898	1.3
209.04691	1.4
225.01967	1.2
226.02716	4.2
227.03514	7.2
228.04204	1.2
242.02176	1.7
243.02927	2.6
253.01479	0.9
255.02937	1.7
267.06436	2.5
269.04498	1.8
270.01620	4.4
271.00076	1.2
271.02509	12.5
272.02615	0.9
275.90900	0.9
282.09003	2.1
285.04105	19.2
286.04373	1.2
297.04050	1.1
297.11267	2.8
299.02011	39.9
300.02347	3.0
300.05911	1.1
311.07800	9.6
313.00159	1.5
313.03586	25.0
314.04346	45.9
315.04443	5.1
327.05072	2.0
328.05893	7.4
329.06693	70.6
330.07040	5.9
371.08115	1.2
447.09213	2.1
461.07266	10.6
475.08868	6.7
476.09671	9.7
477.10028	1.5
480.78052	1.0
490.11102	4.0
491.11975	76.6
492.12292	7.8
525.13806	2.8
544.86078	1.0
687.19232	100.0
688.08759	1.2
688.19788	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	687.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05901	0.3
57.03457	0.3
58.00586	0.5
59.01388	10.1
61.98839	1.0
63.02393	0.3
71.01394	7.2
72.99302	0.4
73.02951	0.9
79.01469	0.2
83.01384	0.5
85.02966	2.5
87.00893	0.5
88.98827	1.2
89.02454	5.9
89.28663	0.3
93.03471	1.3
94.88419	0.3
95.01405	0.6
96.96032	1.4
98.19852	0.7
101.02457	3.1
108.02180	0.4
109.03004	0.4
111.00947	0.3
113.02463	3.3
119.03526	2.4
119.04924	0.4
121.02940	0.5
123.04545	0.3
125.02485	0.4
131.03520	0.3
133.02937	0.3
134.03807	0.4
137.02448	3.8
143.03505	0.5
149.02486	1.5
149.04491	0.3
149.06036	0.5
150.06897	2.4
151.00389	1.0
160.01671	1.2
161.02473	0.6
161.04572	1.2
163.07690	0.4
164.08372	0.4
165.05501	0.3
170.06082	0.4
171.10300	0.4
173.04521	0.5
175.00327	0.4
175.03972	0.7
177.01906	0.4
179.05632	1.2
179.10809	1.2
190.02777	1.5
191.05603	0.7
198.03197	1.5
200.01149	0.7
202.02687	1.9
205.05110	1.6
214.02728	0.8
226.02745	4.3
227.03581	0.4
242.02213	2.5
243.02650	0.4
255.03169	0.4
256.03818	0.6
257.04559	1.0
268.03906	0.5
270.01743	10.4
271.02185	1.3
274.01224	0.9
281.04617	1.7
282.05316	2.2
283.02777	0.3
283.06049	0.8
284.03305	1.2
285.04080	29.5
286.04480	2.1
297.04117	0.8
298.04822	0.4
299.01999	1.2
299.05551	1.1
300.02670	0.6
309.04218	2.3
311.05563	1.6
313.03577	49.8
314.04086	5.7
315.04617	0.4
319.10944	0.7
327.05084	4.6
327.08551	0.5
328.05908	100.0
329.06351	10.1
337.09357	0.4
345.22916	0.3
349.12131	0.3
350.51654	0.3
367.10266	1.3
464.31296	0.3
477.11926	3.7
478.12244	0.5
479.33838	0.3
489.12439	0.5
507.13034	1.3
525.34601	1.4
529.52728	0.3
533.14520	0.5
564.13739	0.3
627.33478	1.6
645.34778	1.8
686.38037	0.5
687.21393	1.0
687.39941	6.9
688.40002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90272	0.4
57.03419	0.8
59.01332	4.8
61.98783	1.9
69.23679	4.4
71.01395	5.7
72.99299	0.4
73.02914	1.0
79.95704	0.7
83.01358	1.0
85.02950	3.4
87.00851	0.5
88.98796	1.0
89.02463	3.5
93.03462	8.3
95.01333	0.6
96.95957	1.5
99.04473	0.5
101.02440	2.8
108.02077	1.5
109.02924	0.9
113.02453	2.2
119.05020	1.0
121.02911	2.1
122.03745	2.9
123.04467	0.7
133.02853	0.8
134.03668	0.5
135.04477	1.8
136.01639	0.8
137.02458	14.0
138.02702	0.6
143.99007	0.5
145.47844	0.4
147.04500	0.6
149.02467	5.1
149.06055	0.7
150.03236	24.1
150.06870	6.3
151.00293	0.6
151.03696	0.8
152.01109	1.0
153.01976	0.5
154.01457	0.8
159.81267	0.5
160.01581	1.1
161.02477	3.8
161.04515	1.1
163.07597	1.9
163.11021	0.4
164.04880	2.6
164.08342	1.0
165.01823	1.2
165.05582	26.4
166.05847	1.1
167.03442	1.0
171.10268	0.6
173.04514	1.9
179.03477	0.8
179.05649	0.8
179.07176	0.8
179.10797	2.8
180.04271	2.5
185.02394	0.7
187.00294	0.4
190.02679	1.3
191.05524	1.9
195.06635	17.3
196.06889	0.7
198.03210	1.0
202.02681	0.5
203.03419	1.3
205.04977	1.5
209.11790	1.5
223.09813	0.5
226.02774	2.2
227.03540	4.6
229.01344	0.7
242.02168	1.8
243.02827	0.9
270.01721	6.6
271.02484	11.8
272.02914	0.9
281.04312	1.3
281.06976	0.8
282.05356	0.8
284.03220	1.0
285.04077	19.1
286.04376	1.4
297.04074	1.1
299.01999	34.6
300.02359	1.8
309.04016	0.9
313.03568	22.3
314.04337	45.6
315.04703	3.2
327.05127	2.3
328.05884	7.8
329.06677	100.0
330.06995	8.3
339.98050	0.5
345.22876	0.6
450.96344	0.5
464.31982	0.6
479.33694	0.9
506.32822	0.7
507.33298	0.6
524.33698	1.2
525.14081	40.0
525.34430	3.8
526.14233	5.2
651.23395	2.5
651.36121	0.7
687.19910	9.5
687.40051	19.0
688.20013	1.6
688.40155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03387	0.5
59.01328	5.5
61.98783	2.0
62.62008	0.5
71.01388	4.6
71.56316	0.6
72.78817	0.4
72.99257	0.5
73.02911	1.3
78.95856	0.4
83.01344	1.2
83.04996	0.7
85.02957	3.2
87.00829	1.3
87.04395	0.5
88.98759	0.9
89.02460	3.5
93.03471	7.4
95.01349	0.7
95.05027	0.5
96.96021	2.3
97.02938	0.5
101.02467	2.5
108.02123	1.3
109.02903	1.4
111.00819	0.5
111.04510	0.6
112.57379	0.4
113.02483	2.5
119.03413	0.9
119.04922	0.8
121.02898	1.6
122.03769	2.2
123.00841	0.7
123.04501	0.6
125.02367	0.9
133.02847	0.6
135.04469	2.1
136.01575	0.6
137.02458	13.8
145.02861	0.5
149.02467	4.9
149.06044	0.7
150.03242	22.5
150.06865	5.7
151.00345	1.2
151.03857	0.9
152.01076	1.4
154.01396	0.9
160.01617	1.0
161.02478	3.8
161.04524	0.6
163.03925	0.9
163.07651	2.2
164.04712	1.2
164.08417	1.1
165.01897	0.9
165.05582	30.4
166.05835	1.1
167.03528	0.9
171.10210	0.6
173.04475	1.6
175.00331	0.6
175.04005	1.0
178.10208	0.5
179.03455	1.0
179.05612	0.6
179.07097	0.5
179.10684	2.1
180.04306	2.6
181.04709	0.5
185.02409	0.5
190.02615	1.3
191.05629	2.4
193.05029	0.7
195.06645	18.4
196.06920	0.7
196.37686	0.4
198.03102	0.5
200.35106	0.4
202.02771	0.9
203.03500	1.3
205.04970	1.6
209.11769	2.0
215.03519	0.6
223.06026	0.6
226.02715	2.2
227.03506	5.1
242.02196	1.5
257.07874	0.6
270.01715	6.2
271.02502	11.8
281.04309	0.6
282.05331	1.1
284.03134	0.7
285.04059	16.9
286.04349	1.4
297.04156	1.0
299.01999	37.2
300.02252	2.9
309.04025	0.9
313.03583	24.0
314.04337	44.0
315.04642	2.9
327.05054	2.0
328.05881	7.8
329.06680	100.0
330.07028	8.4
381.58521	0.5
464.31787	0.9
478.33167	0.8
479.34274	0.6
524.33820	1.2
525.14044	41.8
525.34357	3.8
526.14404	6.4
628.34589	0.5
651.23395	1.4
651.36316	0.6
687.19971	10.6
687.40021	19.0
688.20105	2.5
688.40460	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	687.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87271	8.0
57.00374	6.4
57.87397	6.6
58.14034	6.6
61.98817	17.8
67.43839	6.1
70.82457	7.8
70.82784	14.3
78.37963	6.2
78.95926	9.3
88.73556	6.6
90.53635	5.8
102.16463	6.4
138.31503	6.7
235.63579	6.8
303.09174	22.0
304.40732	8.3
343.52963	7.1
419.12292	38.5
687.24475	100.0
688.24597	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57220	0.6
55.01886	0.7
57.03447	1.5
59.01112	0.9
59.01386	11.8
61.98833	5.2
64.86385	0.6
69.03454	3.7
71.01008	0.8
71.01388	12.6
71.05018	1.6
72.99315	0.9
73.02948	1.3
75.06557	0.7
81.03447	2.1
83.01372	1.8
83.05051	5.6
84.02133	1.0
85.02972	3.5
87.00876	2.7
89.02456	6.6
93.03477	1.3
95.01389	1.2
95.05018	0.8
96.95999	4.7
97.02948	1.4
97.06606	0.8
99.00882	1.7
101.02443	8.8
109.02964	0.8
109.06602	2.2
111.04527	1.1
111.77644	0.7
113.02499	3.8
119.03506	1.7
119.05020	1.0
121.03007	0.6
123.04508	0.9
123.08144	1.8
125.02447	0.7
125.06168	0.7
125.09760	3.1
125.76711	0.7
129.01918	0.8
133.02893	0.7
135.04518	1.9
135.08133	0.8
137.02428	1.8
138.86133	0.6
139.03973	0.6
143.03514	0.7
149.09677	1.0
151.03972	0.9
151.11267	2.1
153.09099	0.6
153.12851	1.4
161.04567	2.2
161.06032	0.7
161.09738	3.2
163.11301	5.9
163.80788	0.6
164.04797	0.8
165.05568	0.7
165.12794	2.9
169.12355	1.3
171.10291	7.5
173.04544	2.8
179.03392	0.9
179.05623	0.7
179.10782	6.9
181.12325	2.4
191.05591	2.7
191.10727	1.6
195.06445	0.7
197.11844	57.5
198.12166	3.3
199.13361	1.1
201.11336	0.9
207.10225	4.7
209.11841	63.8
210.12128	2.1
213.11380	0.9
223.09729	3.3
225.11339	7.1
227.12889	6.1
229.80774	0.8
235.08223	1.1
241.10796	2.7
243.12393	1.3
253.09372	3.9
302.55936	0.8
329.06461	0.9
445.20401	1.0
461.20499	0.8
477.19525	2.8
495.26654	0.8
549.33929	0.7
615.30096	0.8
643.36957	1.4
645.35748	1.4
651.39856	2.3
669.30621	3.6
687.32269	100.0
688.32574	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34767	1.0
59.01379	6.4
61.98837	15.9
68.97677	1.1
72.29819	1.1
73.02936	1.4
75.55774	1.0
78.95930	1.7
80.96513	3.4
81.53918	1.1
88.98847	1.2
96.96029	2.0
229.51291	1.6
268.30844	1.4
299.04343	4.6
364.14969	1.3
402.63071	1.2
452.14490	2.0
481.14966	3.3
482.15884	2.0
484.14648	1.4
495.16965	12.0
496.17053	3.3
497.17276	1.8
498.17093	2.2
509.18024	1.5
536.16840	2.0
540.16492	1.4
551.19397	28.9
552.19702	9.1
553.19391	1.8
554.19934	6.6
567.19244	1.6
572.14935	1.7
586.17053	2.2
595.18372	3.1
598.18396	2.4
627.21002	100.0
628.21332	24.9
629.21204	4.5
630.21313	25.0
631.21362	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	691.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.3
59.01389	13.6
61.98826	3.0
67.01885	3.1
69.03466	2.0
70.05185	1.6
71.01400	13.9
71.56600	2.6
72.99308	2.7
73.02930	3.3
83.01400	2.8
84.15990	1.7
85.02962	13.0
87.00849	4.6
89.02455	4.5
93.03468	23.1
96.96027	21.9
101.02429	8.4
108.02175	6.5
109.02953	5.0
111.00880	15.1
111.04514	5.2
113.02452	6.7
116.92766	2.6
117.03451	1.7
120.01070	1.9
121.02953	2.5
123.00871	2.0
123.04503	3.7
125.02429	2.1
129.01944	2.0
132.02161	2.3
133.02977	5.4
134.03758	14.7
135.04543	68.9
136.04880	3.0
137.02469	18.1
147.70494	1.7
149.02545	2.4
149.06044	4.7
152.01111	5.5
153.01881	4.8
155.03462	4.8
158.03773	2.2
160.01640	7.2
161.02475	16.9
161.04529	3.0
165.01808	2.4
165.05554	3.5
173.00902	5.7
173.04584	38.3
173.06064	4.2
175.03987	11.3
177.01857	2.1
178.02693	2.2
179.03511	52.6
180.03928	3.0
191.01942	4.5
191.05635	20.2
192.05849	2.1
193.05078	11.4
195.06657	2.2
198.08977	1.7
200.01126	5.4
203.03465	2.6
211.06125	2.1
225.07805	2.3
228.00681	12.0
229.01422	36.3
230.01740	2.3
237.05577	2.6
243.02979	24.5
253.95811	2.2
264.04288	3.4
265.05084	5.7
266.05664	2.4
267.06583	3.1
279.06592	2.9
280.07431	5.4
281.07053	2.2
282.08865	4.9
283.06046	4.1
293.04578	2.6
295.09753	3.7
308.07007	4.0
315.07150	2.7
323.08310	4.1
326.08130	3.5
335.07706	3.4
336.02853	2.4
337.09372	9.1
339.08804	3.9
341.09744	6.5
351.05142	6.1
352.05722	3.5
353.08978	4.3
367.08154	100.0
368.08511	9.8
429.13846	2.1
473.14658	8.2
507.14886	3.5
515.13879	2.7
517.13385	10.7
529.14594	3.9
530.16248	1.8
598.78436	1.9
647.19678	2.7
691.18402	46.1
692.19019	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	691.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.4
59.01385	5.7
60.99325	0.8
61.98839	1.6
67.01900	4.1
69.03479	1.5
70.31128	1.2
70.31503	1.7
71.01395	6.1
72.99313	1.2
73.02966	0.7
79.95752	0.5
81.03462	1.0
83.01395	1.2
83.05031	1.1
85.02956	5.5
87.00898	1.8
88.98833	1.4
89.02455	2.2
93.03470	30.2
94.03809	0.8
94.78100	0.6
95.01400	0.6
95.04950	0.5
96.96014	6.1
97.02979	0.5
97.45079	0.6
98.20554	0.7
99.00912	0.6
101.02450	2.7
107.05028	0.8
107.64072	0.5
108.02179	7.1
109.02967	4.2
111.00899	6.6
111.04534	4.9
113.02483	1.7
117.03487	0.7
121.02953	1.1
123.00941	0.9
123.04530	1.2
125.02480	1.3
127.04078	0.7
129.01987	1.1
129.83366	0.6
132.02158	1.7
133.02975	1.6
134.03763	7.9
135.04539	100.0
136.04892	4.4
137.02457	11.1
145.02980	0.6
149.02440	1.0
149.06094	1.6
150.03238	3.1
151.03987	1.6
152.01178	5.6
153.01933	2.5
153.05687	0.7
155.03537	5.6
159.04459	0.7
160.01691	5.5
161.02481	7.7
163.04039	0.7
165.01976	0.8
165.05608	3.1
173.00903	2.3
173.04561	61.0
174.04895	1.7
175.04005	9.2
177.01895	0.8
179.03513	90.7
180.03877	3.4
181.05026	0.6
182.02209	0.7
183.02991	1.3
183.06664	0.7
191.02036	0.7
191.03986	1.1
191.05653	14.4
191.07368	1.0
193.05066	5.7
197.04520	1.3
199.99403	0.6
200.01166	0.7
205.04941	0.8
208.45682	0.6
217.05074	0.7
223.06241	0.6
228.00655	2.0
229.01460	5.5
243.02887	3.0
265.05103	1.2
280.07297	0.7
315.06827	0.6
323.07806	1.8
335.07654	0.9
337.09277	12.5
338.09402	0.7
341.08594	4.2
351.04803	0.9
352.05908	0.6
353.08878	4.8
367.08118	12.3
368.08182	1.1
473.14539	12.1
474.14804	1.3
493.09811	0.8
494.10617	1.5
495.11243	0.9
499.12189	1.7
507.15298	0.6
515.14282	2.8
517.13525	22.9
518.13599	2.5
549.25208	0.7
691.18628	26.2
692.18866	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	691.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59586	0.5
56.24930	0.5
59.01384	4.1
61.98817	1.2
67.01912	0.6
69.03471	0.6
69.30293	1.8
69.30715	3.5
71.01398	3.7
73.02956	1.0
78.95944	0.8
81.03492	1.2
83.01395	0.8
83.05053	1.6
85.02969	6.2
87.00891	1.4
89.02468	1.0
93.03470	8.9
95.01383	0.7
96.96027	6.9
99.04518	1.2
101.02475	1.8
107.05038	1.4
108.02194	1.1
109.02971	1.6
111.00916	2.0
111.04517	4.5
113.02463	1.2
117.03489	0.6
121.03024	0.9
127.03976	1.0
132.02228	1.2
133.02950	2.7
134.03769	8.6
135.04544	100.0
136.04877	3.8
137.02495	3.4
143.03438	0.6
149.02449	1.3
155.03499	4.9
160.01685	4.8
161.02463	11.4
161.04565	0.8
161.06102	0.8
163.04036	1.3
165.01840	0.7
165.05426	0.7
173.04578	13.6
175.04013	7.8
177.05721	0.7
179.03520	88.8
180.03880	4.5
190.02710	0.7
191.05637	28.3
191.07370	1.6
192.05981	1.6
193.05096	4.5
195.06662	0.8
202.06883	0.6
205.05090	0.7
228.00676	2.5
229.01210	1.0
243.02939	2.0
267.47302	0.7
313.31244	0.6
323.07767	1.9
326.13370	0.6
329.13733	0.7
335.07651	2.7
337.09396	6.6
338.09830	0.8
341.08911	3.9
352.05743	0.6
352.12750	0.6
353.08710	5.1
366.67380	0.6
367.08246	1.3
383.71295	0.6
472.19336	0.7
473.14722	5.2
497.12970	0.9
499.12317	1.0
515.14178	1.5
517.13519	13.6
518.14008	1.1
529.13348	1.2
535.18744	1.0
659.85248	0.8
691.18713	28.4
692.18860	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
58.00589	1.3
59.01386	40.9
61.98836	9.3
69.03474	1.0
71.01009	2.0
71.01389	34.5
71.05014	2.7
72.99301	2.1
73.02953	4.7
73.35025	1.0
75.00877	1.6
78.95919	3.7
81.03447	1.0
81.19756	0.8
81.54828	0.8
83.01376	4.6
83.05033	1.0
85.02959	8.1
85.51848	1.1
87.00889	6.7
89.02450	24.6
93.03481	1.6
95.01382	2.6
96.96000	3.5
97.02974	5.0
99.00877	2.4
101.02445	27.1
109.02979	1.2
111.04556	1.4
113.02463	11.6
119.03519	6.9
121.02917	1.0
123.04483	1.0
125.01790	0.9
125.02470	9.4
131.03470	1.6
134.74905	1.1
135.04507	1.2
137.02371	1.5
139.04050	1.1
141.01903	1.3
143.03510	4.5
147.50896	1.0
149.04590	1.1
151.11243	1.0
152.99530	1.1
157.08698	1.2
161.04581	5.8
161.05870	1.0
169.12282	2.4
171.10242	2.3
173.04544	3.9
179.05634	6.8
191.05609	4.3
191.18129	1.2
209.11794	3.7
209.15387	1.8
211.13414	4.3
221.06598	2.5
225.03137	0.9
225.11327	1.6
229.08624	0.9
231.21248	1.8
233.15469	1.3
235.08224	10.0
235.17046	37.8
236.17369	3.6
253.09401	4.5
273.18466	1.0
275.20169	49.9
276.20499	4.5
287.07690	1.7
293.21249	100.0
294.21521	11.6
305.08838	3.1
323.09735	2.0
379.12427	1.4
397.13535	68.8
398.13968	5.3
415.08969	2.4
415.14569	45.4
416.15067	2.2
659.32672	3.1
673.34027	1.2
691.36768	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03453	0.5
58.00601	0.8
59.01387	18.3
61.98818	0.4
67.01859	0.3
69.03457	1.0
70.59856	0.7
70.60259	0.6
71.01389	14.8
72.99313	0.9
73.02946	1.8
80.22871	0.3
81.03468	0.6
83.01395	1.1
83.05036	0.4
84.60812	0.3
85.02972	2.8
87.00886	2.9
89.02451	10.8
95.01380	0.9
96.38313	0.3
97.02959	1.6
99.00893	0.7
101.02457	9.9
110.58899	0.3
111.04585	0.6
113.02467	4.9
119.03522	2.7
125.02467	3.6
127.04035	0.4
129.68449	0.3
131.03485	0.4
133.05049	0.4
134.74867	0.4
137.43336	0.3
139.03978	0.3
141.09206	0.3
143.03519	1.9
161.04599	2.2
167.10753	0.4
171.10324	0.5
179.05630	2.8
179.14427	0.7
185.04491	0.5
191.05643	0.4
195.13904	8.5
196.14462	1.2
205.12280	0.5
211.13306	0.5
221.06726	0.8
223.13412	5.5
224.14120	0.4
235.08224	3.7
235.27199	0.4
245.54434	0.3
253.09259	1.1
256.13162	1.2
263.07788	0.8
275.20166	3.8
287.07669	0.7
293.21259	100.0
294.21597	9.1
305.08731	0.6
323.09830	0.5
379.12708	0.4
397.13541	22.5
398.13760	1.2
415.14597	24.2
416.14822	1.4
622.76715	0.5
654.27283	0.6
691.36121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85445	1.1
57.03453	1.5
59.01389	12.6
61.98832	7.9
68.99564	1.0
71.01390	12.2
71.10419	2.6
73.02971	2.2
78.95905	1.7
79.93567	1.1
80.60832	1.1
81.03468	1.5
83.01397	1.4
83.05030	4.7
85.02971	2.6
87.00896	2.4
89.02444	6.3
93.03470	1.3
95.01375	1.2
96.96023	3.1
97.06595	3.6
101.02450	7.6
102.77116	1.2
109.06608	1.3
111.00803	1.0
113.02459	4.3
135.04503	1.4
143.03484	1.1
145.05125	1.3
151.11290	15.0
161.04533	1.9
163.04013	1.4
163.11267	3.5
165.12886	1.7
166.33145	1.1
169.12347	66.8
170.12682	4.3
171.10280	3.1
173.04536	2.9
179.05489	1.0
183.13803	1.0
183.83061	1.0
191.05606	2.6
191.10818	1.2
195.10291	3.0
197.11903	1.6
197.67708	1.0
201.11298	1.3
207.10323	1.1
209.11842	49.8
210.12210	3.4
211.13425	5.4
213.11317	9.0
223.17049	3.0
225.11424	1.8
227.12956	5.8
235.08272	2.1
253.09276	5.8
275.20255	1.4
293.21240	12.3
397.13458	3.4
415.14572	2.6
431.19159	2.2
442.15662	1.3
449.20221	4.9
569.31201	1.4
626.79260	1.2
641.32361	1.7
659.32892	100.0
660.33282	17.8
691.35767	8.5
692.37000	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03457	1.8
58.00615	1.8
59.01105	2.2
59.01385	28.0
61.98832	8.2
63.55739	1.3
69.03503	1.8
69.98543	6.4
71.01391	24.8
72.99314	1.7
73.02943	4.5
78.95911	3.5
79.71473	1.3
81.03479	2.1
83.01402	3.2
85.02974	5.5
87.00892	5.0
89.02457	20.6
93.03445	3.3
96.96014	6.1
97.02967	4.1
99.00891	2.6
99.91521	1.4
101.02449	16.3
109.06615	4.1
111.04588	1.3
113.02447	10.4
119.03527	6.2
119.05084	1.3
121.03027	1.7
121.10240	4.8
125.02451	4.2
140.01122	1.3
143.03470	2.6
147.04478	1.6
152.99567	1.9
161.04568	3.3
163.11282	2.2
171.10283	14.8
173.04536	3.6
179.05595	5.3
191.05667	2.9
195.13861	4.4
207.10304	4.8
209.11893	3.7
211.13396	3.8
221.06697	1.9
223.13376	3.9
225.11328	3.8
235.08208	6.0
253.09244	2.1
275.20178	20.0
276.20377	1.6
293.21249	100.0
294.21606	8.4
341.68182	1.4
361.11548	1.8
397.13516	40.1
398.13858	2.8
415.14590	32.5
416.15332	2.1
419.28177	2.2
691.32135	1.6
717.79614	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	691.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83826	1.0
55.01880	1.6
57.03447	2.0
58.00603	1.4
59.01388	57.1
61.98836	6.8
68.99868	1.2
69.03473	2.7
70.52513	2.3
70.52856	1.3
71.01394	46.4
71.05028	3.6
72.07212	1.0
72.09824	1.1
72.99310	3.5
73.02969	8.3
75.00891	1.1
76.05361	1.1
78.95921	1.8
81.03484	2.3
83.01406	4.6
83.05040	1.4
85.02960	11.2
87.00882	10.5
89.02457	38.7
93.03452	1.7
95.01384	2.1
96.96006	5.7
97.02956	6.9
99.00900	2.6
99.04507	1.4
101.02463	38.8
109.02959	1.5
109.06602	8.3
111.00854	1.7
111.04496	1.1
113.02461	17.4
113.03176	1.8
115.04068	1.4
119.03518	13.5
119.04968	1.1
121.02988	1.5
124.21537	1.1
125.02458	13.6
127.04064	1.4
131.03520	2.1
133.05104	1.5
135.08217	1.9
137.02434	1.4
137.06108	1.5
142.02730	1.4
142.79259	1.0
143.03496	7.2
161.04596	8.2
163.03960	2.1
163.11273	4.0
165.05600	1.3
171.10281	3.2
173.04558	1.8
179.05626	10.3
191.05655	1.9
199.09744	2.3
207.10266	12.9
209.11826	1.6
211.13423	4.3
221.06595	2.7
223.17084	2.8
225.11331	6.5
235.08249	18.1
235.17059	24.6
236.17378	2.9
253.09317	6.3
263.07764	1.9
275.20187	24.7
276.20569	1.5
287.07703	3.1
291.19531	1.6
292.20120	1.6
293.21262	100.0
294.21558	10.2
302.22202	1.1
305.08829	4.8
323.09909	2.1
397.13550	85.0
398.13770	6.2
399.84915	1.1
415.14618	48.3
416.14908	4.3
435.27411	1.5
461.20081	1.5
490.12473	1.2
511.14377	1.4
619.31018	1.7
691.37695	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	691.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01390	8.0
60.58097	0.5
61.98838	5.2
71.01392	6.3
71.13912	1.2
73.02950	1.7
80.02691	1.1
81.03445	1.0
83.01409	1.0
83.05025	3.9
84.02167	0.9
85.02963	4.2
87.00886	1.4
89.02460	4.2
93.03476	2.4
95.01373	0.8
96.96024	7.5
97.02958	0.5
99.00914	0.6
101.02451	4.7
109.02952	0.8
109.06525	0.6
111.00842	0.8
111.04510	0.6
113.02444	2.8
117.51340	0.5
119.03509	1.3
119.05018	0.6
121.02948	0.6
125.02421	0.6
125.09739	1.0
125.95560	0.5
127.11295	1.1
133.02942	0.6
134.03793	1.0
135.04539	2.2
135.08176	0.5
137.02446	1.9
139.75119	0.5
143.03632	0.7
148.04059	0.9
155.10793	0.7
161.02357	1.1
161.04576	1.1
163.04095	0.6
163.11310	3.9
165.09235	1.1
165.12856	2.0
169.43646	0.5
171.10358	3.1
172.10666	0.6
173.04633	2.6
179.03485	0.9
179.05632	1.1
181.12352	0.7
190.02734	0.6
191.05620	2.4
201.11334	22.9
202.11638	1.2
209.11845	100.0
210.12199	6.7
213.95885	0.5
225.11430	1.3
227.12944	13.9
228.13289	0.9
235.08278	2.9
253.09320	9.4
299.01929	1.2
314.04324	0.8
329.06729	2.5
372.22092	0.5
375.21457	0.8
393.22922	0.8
393.31393	0.5
401.23395	0.5
437.20535	1.2
445.20612	2.6
655.33252	0.8
691.39642	8.8
692.39954	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	692.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63950	1.2
58.02973	6.2
59.01384	15.3
61.98835	18.6
71.01385	12.1
71.56120	2.1
73.02967	2.0
74.02482	15.0
76.19585	1.3
81.04565	1.5
82.02994	2.6
83.01388	2.2
83.02483	1.5
85.02971	7.3
86.02476	6.3
86.99109	1.9
87.05647	4.3
89.02442	1.8
90.00198	1.7
93.03464	4.5
96.96027	10.7
99.05658	11.6
101.02443	4.9
101.07175	1.5
102.05563	1.8
109.04144	2.1
111.00881	1.6
112.04039	2.0
113.02471	4.8
116.57365	1.5
118.40829	1.3
123.05655	1.4
125.02391	1.6
127.05133	2.9
128.03558	35.2
135.04626	2.3
135.05582	2.7
137.02452	2.4
137.07230	1.2
141.06723	3.5
143.04631	45.9
145.06187	2.5
146.04590	4.4
153.06703	3.2
153.10542	1.4
160.00729	12.8
161.04523	1.6
163.07532	1.6
167.04573	4.5
167.08267	2.1
173.04523	5.0
177.02022	1.4
177.03374	6.3
179.03436	1.4
179.04663	11.9
185.05656	2.3
191.05600	6.1
197.05783	1.8
201.11386	2.3
209.11774	1.8
210.07098	1.4
210.08838	7.8
211.13380	1.6
254.07837	17.7
272.08893	28.1
288.06610	10.1
306.07663	100.0
307.07858	5.3
310.09329	2.5
413.22412	1.4
495.37375	1.9
632.37067	4.9
633.38660	2.7
649.37988	3.8
650.38519	3.1
651.39026	1.9
652.42261	1.6
693.38281	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	692.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	7.5
59.01384	10.9
61.98840	16.9
63.64294	1.4
69.42627	5.7
69.43040	2.6
70.02988	1.4
71.01386	7.4
72.00904	1.5
72.99323	1.2
73.02929	2.3
74.02489	15.7
81.04560	1.1
82.02992	2.2
83.01413	1.2
83.05054	1.1
85.02961	5.1
86.02481	4.9
86.99117	1.8
87.00901	1.2
87.05640	6.1
89.02450	3.4
93.03467	2.7
95.01407	1.4
96.96014	5.5
97.04105	1.7
98.20602	2.6
99.00862	1.3
99.05663	13.0
101.02465	4.1
101.07244	2.2
102.05579	2.1
107.57233	1.3
109.04114	2.5
112.04072	2.0
113.02454	4.4
119.03508	1.2
119.05004	1.3
120.01300	1.5
123.07990	1.0
125.03617	2.0
127.05135	2.1
128.03558	39.8
135.04593	2.7
135.05655	3.9
137.02435	1.5
141.06688	3.5
143.04640	49.5
145.06210	1.9
146.04576	3.3
147.57304	1.2
148.74402	1.1
153.06720	3.9
160.00763	16.1
161.02483	1.2
161.04562	1.1
163.04092	1.3
163.07634	1.5
166.09831	1.9
167.04651	2.7
167.08318	1.7
169.12244	2.7
173.04552	2.9
177.03380	5.1
179.04640	11.0
181.06239	1.5
185.05673	1.7
187.07600	1.6
191.05603	5.2
198.08789	1.5
210.08893	10.1
225.11395	1.3
242.07883	2.0
254.07834	19.4
270.45187	1.2
272.06192	2.2
272.08899	25.3
273.09073	1.3
288.06613	10.8
306.07675	100.0
307.07959	6.5
310.09326	2.0
364.30267	1.2
632.37598	2.6
633.38715	1.9
649.38196	1.7
650.38416	3.7
651.39697	2.6
657.19287	1.4
693.39490	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	693.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37420	0.1
54.03683	0.1
55.01863	0.2
57.03466	0.1
59.01392	2.1
61.98837	2.0
65.03965	0.6
71.01396	1.9
71.16694	0.3
72.99335	0.2
73.02943	0.6
83.01395	0.3
85.02970	1.2
87.00882	0.3
89.02451	0.4
90.44173	0.2
93.03469	51.9
94.03810	2.1
95.01388	0.2
96.96033	1.4
101.02465	0.9
102.26544	0.1
108.02190	0.2
109.02953	0.3
113.02454	0.8
121.02946	0.2
125.02457	0.2
134.03769	0.3
135.04478	0.3
137.02461	100.0
138.02795	3.2
147.04535	0.2
148.04247	0.3
148.05336	2.0
149.02420	0.2
150.06917	0.4
158.05872	0.1
160.01654	0.2
161.02448	0.5
161.04570	0.6
163.07684	1.3
166.54518	0.1
173.04585	0.5
175.04036	0.2
179.10620	0.2
190.02745	0.2
191.05621	0.6
193.05161	0.2
199.07732	0.1
205.05074	0.2
223.06152	0.2
275.09265	0.2
299.07745	4.0
300.08282	0.3
323.07654	0.3
367.06659	0.6
406.18134	0.2
452.19128	0.1
495.36890	1.1
633.38354	0.5
648.94373	0.2
651.39288	0.8
657.41730	0.5
693.20728	0.3
693.40912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.00584	0.9
59.01384	18.3
61.98830	2.8
71.01393	15.5
72.99329	0.6
73.02946	1.7
73.08489	0.6
78.95908	1.4
83.01419	1.3
83.05029	0.8
85.02962	3.6
87.00887	2.6
89.02454	10.6
93.03479	3.2
95.01402	0.9
96.36503	0.6
96.96014	3.3
97.02978	1.4
99.00880	0.9
101.02452	9.2
109.03022	0.8
109.06590	1.3
111.04553	0.9
113.02448	4.7
113.09740	1.0
113.73718	0.6
119.03535	2.7
121.02968	0.9
125.02443	2.8
131.03520	0.6
132.92845	0.6
133.02954	1.9
134.03767	3.0
135.04526	1.2
137.02463	1.3
143.03505	2.0
152.99635	0.7
155.03572	0.8
161.02467	0.6
161.04556	1.6
171.10316	1.3
173.04582	6.0
177.02016	1.5
178.02780	3.4
179.03525	0.8
179.05634	2.2
191.05632	2.4
195.13919	13.2
196.14496	0.5
207.10283	1.3
209.11807	2.1
211.13411	2.1
221.06540	0.7
230.24458	0.7
231.10335	1.0
235.08264	3.0
247.09653	0.7
253.09309	1.7
275.09314	4.9
277.21753	11.6
287.08017	0.7
295.22803	100.0
296.23129	10.4
305.08844	1.1
345.16977	0.6
372.17648	0.6
397.13504	19.4
398.13751	1.6
415.14612	20.5
416.14935	1.1
449.14755	3.0
471.34833	3.2
633.40039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98343	0.6
57.03463	0.7
59.01386	2.9
64.91671	0.6
66.38284	0.5
67.05952	0.8
69.03456	0.7
70.39227	0.7
71.01383	5.5
71.02752	1.4
72.08017	0.5
72.99306	0.7
73.02935	1.2
81.03479	1.3
83.01390	1.2
85.02968	5.8
85.17525	0.6
87.00934	0.7
89.02453	1.1
93.03458	3.4
95.01398	2.2
96.96029	15.4
97.02969	0.7
101.02444	3.5
107.01418	0.7
108.02182	66.6
109.02978	31.9
110.03273	0.8
111.00880	0.8
111.04532	1.1
113.02416	2.8
119.05036	0.9
121.02985	2.2
123.00909	1.7
123.04527	2.4
125.02464	1.0
133.02965	3.5
134.03763	1.3
135.00900	3.8
135.04539	4.2
137.02422	2.9
141.95772	0.7
143.03522	0.6
145.02945	0.9
147.03133	0.6
149.02432	1.0
151.04041	2.7
152.01164	76.1
153.01964	37.6
154.02284	1.3
155.03487	0.7
160.01820	0.7
160.04041	1.8
161.02496	1.4
163.04021	2.5
165.01939	5.1
173.04492	3.3
176.01230	0.7
177.01942	33.1
178.02339	1.3
179.03535	2.0
180.04269	1.4
184.68921	0.6
191.04091	0.8
191.05612	5.4
193.05051	1.6
195.02977	1.0
195.06694	2.8
219.02846	0.8
225.04121	0.6
247.06511	4.9
285.03922	1.1
315.07251	100.0
316.07547	5.1
339.07224	52.3
340.07477	3.4
357.82169	0.7
362.24625	0.7
383.06207	50.2
384.06573	5.0
401.07306	9.6
402.07718	0.8
412.54959	0.6
670.53271	0.7
694.15796	3.5
695.17963	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	695.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25753	0.5
58.77704	0.5
59.01386	100.0
60.01712	1.3
61.13331	0.4
61.98834	2.5
67.89381	0.5
69.69627	0.4
71.19123	1.0
78.95911	13.2
96.96059	0.4
128.03546	0.6
131.39441	0.5
152.99527	0.5
161.75241	0.5
205.16035	0.7
242.01819	0.5
249.05530	0.7
258.89581	0.5
277.21729	0.5
279.23300	1.1
325.98929	0.5
653.30115	0.9
695.31232	52.5
696.31586	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	697.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93711	0.5
58.13603	0.5
59.01378	3.9
61.98836	1.2
69.03454	1.2
69.19476	5.5
71.01387	6.0
73.02957	1.3
75.00904	0.5
77.34585	0.5
81.03469	0.8
83.01414	1.6
85.02950	4.6
87.00880	1.1
89.02444	1.7
93.03465	2.6
95.01406	2.3
96.96048	1.1
97.02995	0.8
99.00891	1.1
101.02445	2.6
104.70277	0.5
107.01418	1.1
107.05057	0.6
107.16587	0.5
108.02181	63.9
109.02975	30.9
109.03561	0.3
110.03284	0.5
111.00887	1.1
113.02460	1.9
117.05643	0.6
119.03526	0.6
119.05023	0.7
121.02975	4.8
123.00892	1.5
123.04562	1.3
125.02482	1.3
132.02179	0.8
133.03001	3.7
134.03752	1.0
135.00902	4.2
135.04526	1.8
137.02444	2.2
145.02983	2.7
149.02480	1.0
151.04030	6.1
152.01164	76.2
153.01958	35.8
154.02290	1.4
161.02448	2.2
161.04614	1.1
161.06049	1.1
163.04022	3.3
165.01944	3.4
173.04610	1.7
175.03993	1.4
176.01233	1.4
177.01938	31.1
178.02353	1.1
179.03499	1.4
181.05112	1.0
190.02745	0.9
191.03566	1.0
191.05650	2.2
193.05113	1.1
195.02974	1.0
205.05133	1.9
219.03073	0.8
223.06158	0.7
235.92310	0.5
307.08383	0.5
315.07239	100.0
316.04239	0.7
316.07581	7.9
329.06567	0.8
330.13263	0.7
337.09235	0.9
339.07224	48.7
340.07581	4.4
357.08188	1.6
383.06226	44.5
384.06519	4.5
401.07230	6.9
697.16339	4.9
697.30518	2.0
698.16357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09733	0.3
51.05135	0.2
59.01383	100.0
59.05493	0.3
60.01730	0.6
61.98840	1.3
67.03844	0.3
71.18871	0.5
71.76382	0.2
78.95930	0.4
96.96033	0.8
98.19834	0.3
121.02976	2.7
141.88077	0.3
171.10298	1.2
191.03517	0.8
209.04536	1.6
260.62112	0.3
289.18369	0.4
467.13553	0.3
593.13422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00508	0.5
55.37202	0.5
57.03443	0.9
59.01387	6.2
61.98838	5.6
71.01390	4.3
71.03786	0.9
72.99321	1.1
73.02956	1.2
83.01417	0.7
85.02943	2.8
85.19405	0.5
87.00909	0.9
88.98832	0.9
89.02461	2.4
91.01925	0.7
91.22895	0.5
93.03478	2.5
93.16149	0.5
96.96022	2.8
99.00918	0.7
101.02451	2.8
108.02224	0.9
109.02988	0.8
111.00890	0.6
113.02491	2.1
119.01395	1.6
119.05038	1.2
121.02963	2.0
123.00920	0.9
125.02500	1.0
134.03842	0.8
135.04533	2.3
136.01723	0.6
137.02461	3.9
149.02481	3.2
149.06096	0.6
150.03348	1.3
151.00378	0.5
161.02444	1.7
161.04547	1.4
163.04063	2.7
164.04764	1.5
165.05629	1.4
165.09242	0.8
173.04584	2.1
175.00372	6.2
175.03993	1.1
176.01143	1.3
178.06429	0.8
179.03542	0.9
190.02737	14.2
191.03438	1.6
191.05609	2.0
193.05090	0.8
193.08705	1.4
195.06657	1.5
205.05081	9.6
206.05626	0.7
207.06656	0.9
209.04639	0.8
222.00803	0.6
223.06209	1.1
226.02682	0.8
227.03444	0.8
243.02962	1.9
251.56737	0.6
253.01596	0.6
261.16428	0.7
268.03906	0.6
270.01620	1.8
271.02493	17.4
272.02982	1.3
281.06677	1.8
285.04037	4.1
297.04138	0.8
299.01987	32.2
300.02448	3.9
301.07562	0.6
305.08621	0.8
308.27072	0.6
313.03589	6.0
314.04333	30.4
315.04852	4.3
328.05905	1.3
329.06680	100.0
330.07013	8.3
339.05106	0.9
343.08234	2.4
353.08759	3.8
367.10376	4.8
388.58267	0.6
420.96628	0.7
497.34848	1.5
498.34961	0.7
535.12482	0.8
661.34668	1.1
697.17761	20.4
697.29333	1.5
697.36334	1.1
698.18066	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	699.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77964	0.7
57.03430	1.1
59.01382	6.8
61.98835	3.7
67.01886	1.1
70.38602	1.8
70.39003	1.7
71.01009	1.0
71.01388	17.1
72.99303	1.4
73.02946	1.6
74.99099	1.3
81.03441	1.5
83.01385	1.2
85.02940	5.0
87.00883	1.6
88.98822	4.5
89.02439	3.8
91.01897	2.6
93.03450	2.3
95.01391	2.7
96.96037	5.2
96.99326	1.0
97.02950	1.3
99.00882	0.9
101.02438	6.3
107.01380	2.7
108.02201	7.9
109.02964	11.3
109.50820	0.8
111.00854	3.1
113.02454	4.5
115.00391	9.7
119.03484	1.7
119.05048	1.0
121.02953	3.4
122.03761	4.0
123.00912	4.5
123.04541	13.0
124.01659	3.3
125.02454	2.3
133.02980	10.9
134.03781	6.3
135.04504	3.6
136.01573	0.9
136.99094	0.9
137.02487	4.7
139.03978	1.2
145.02957	2.0
146.03702	2.1
147.04535	9.1
148.05342	3.7
149.02478	2.1
149.06030	1.1
150.03214	2.3
151.00385	4.6
151.04004	1.3
152.01166	10.3
153.01961	13.1
158.03740	1.2
159.04552	1.0
160.01541	1.2
160.05247	2.7
161.02415	1.4
161.04572	2.1
161.06055	3.3
162.03096	1.0
162.06836	1.4
163.04021	2.0
165.01859	1.3
165.05569	1.2
166.02692	1.2
167.03506	32.1
173.04538	1.8
174.03229	0.8
175.03996	0.8
175.07602	1.4
178.02650	2.8
179.03481	2.6
181.05124	1.6
190.02756	1.6
191.05580	2.8
192.04160	0.9
193.05011	2.5
195.02827	1.3
195.06520	1.3
205.05099	2.4
209.04555	1.1
213.05563	3.0
240.04283	3.1
241.05052	11.5
241.08720	1.4
242.05705	1.6
243.06723	1.0
251.07159	1.7
252.07896	1.3
253.04889	1.4
254.05746	2.2
255.06693	3.8
256.07401	8.5
267.06595	1.7
268.07404	6.4
269.08203	14.2
270.08685	3.2
271.06360	1.3
271.09711	7.5
272.06854	1.7
282.08902	1.7
283.09708	7.7
284.10553	21.7
285.11032	2.5
296.05289	6.2
297.06155	4.6
297.11224	3.8
298.08807	1.0
298.11874	1.0
299.12833	8.5
300.13309	1.1
311.07770	36.1
312.08081	1.9
313.10779	1.6
315.07147	1.0
369.09750	2.9
417.13278	0.8
465.15549	2.6
495.16599	1.0
531.11169	1.7
537.32355	1.4
545.12891	1.2
549.17462	3.1
569.16754	2.6
579.18713	1.0
583.18494	4.3
602.65308	0.9
655.20081	3.8
699.19257	100.0
700.19489	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	699.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09035	0.8
53.35073	0.8
57.03444	1.6
57.65274	0.8
59.01384	9.6
60.99295	0.9
61.98836	11.8
68.99811	1.7
71.01389	15.8
71.58634	1.1
72.99323	0.9
73.02950	3.0
80.96513	1.3
83.01404	3.6
83.05031	1.0
85.02966	8.6
87.00890	2.7
88.98831	4.8
89.02450	6.3
89.32092	0.8
92.07361	0.8
93.03468	55.6
94.03793	1.6
95.01420	1.4
96.96023	5.9
96.99318	1.1
99.00893	1.5
101.02463	10.9
107.49705	0.8
108.02187	2.2
109.02937	2.1
111.00896	1.2
113.02465	6.7
119.05062	1.8
121.02969	3.3
121.23862	0.8
123.00879	1.6
123.04533	1.2
124.01660	2.3
125.02455	2.9
133.02979	1.2
134.03677	1.3
135.04546	3.1
136.01677	2.7
137.02458	79.8
138.02805	2.6
139.00427	1.3
139.04012	3.4
145.03000	0.9
147.04518	1.7
149.02432	2.6
149.06136	0.9
150.02899	0.9
151.00389	8.2
151.04015	2.6
152.01126	3.6
153.01906	1.3
153.05574	1.0
159.04523	1.2
161.02419	3.3
161.04552	2.0
161.05978	0.9
163.03986	4.1
164.04759	2.7
165.01987	1.1
165.05635	1.1
166.02724	18.9
167.03532	2.0
173.02394	1.3
173.04512	2.6
175.00356	1.5
175.04080	4.3
176.04753	2.8
177.01973	1.3
177.05469	1.7
178.02844	1.0
179.03476	1.7
181.05080	19.4
187.04022	1.8
188.04822	2.6
189.05577	1.3
190.02768	3.5
191.03493	7.4
191.05458	2.0
192.04213	2.1
193.05133	1.7
203.03596	1.6
204.04265	1.1
205.05086	10.0
206.05887	7.3
207.06616	2.0
209.04549	2.1
214.08783	1.4
218.05983	1.0
219.06616	1.1
220.07410	1.7
221.08189	7.0
223.06091	2.2
250.32185	1.1
257.09183	1.6
269.09256	1.9
281.06686	100.0
282.07181	5.9
299.02100	1.1
311.10410	1.9
357.09799	1.4
358.10678	1.2
369.09988	1.3
370.10724	1.0
372.12161	3.6
373.12943	11.4
374.13184	1.7
384.12076	1.4
385.12897	3.6
387.10324	1.9
387.14917	5.6
388.11520	2.9
403.14011	35.2
404.14261	2.7
417.15567	4.2
473.86377	1.0
477.05457	0.9
589.31995	0.8
663.36462	5.5
669.21832	3.6
670.22656	1.2
681.22168	2.1
699.21997	28.6
700.22931	6.1
700.33777	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	699.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03452	0.9
59.01384	9.2
61.98836	17.2
62.12381	0.7
64.31420	0.6
71.01396	11.0
71.58444	1.1
72.99313	0.9
73.02952	1.9
83.01394	41.3
85.02946	5.2
86.10882	0.6
87.00861	1.3
88.98868	0.8
89.02456	3.8
93.03468	3.5
95.01411	1.7
96.96038	3.7
97.02934	0.9
97.55498	0.7
99.00907	1.6
101.02467	6.6
102.22841	0.7
108.02187	1.4
109.02956	3.1
111.00900	1.8
113.02442	3.4
119.03503	1.9
119.05059	1.2
121.02972	15.2
122.03753	9.2
123.00890	4.5
123.04564	5.0
125.02441	1.2
127.00377	0.8
133.02968	0.8
134.03770	1.7
135.04541	2.3
136.01718	0.8
136.05330	5.3
136.98866	0.6
137.02457	10.8
137.06099	7.3
138.03198	2.6
139.00357	1.2
139.04021	1.0
143.03352	0.7
145.02966	1.2
145.49654	0.6
147.04535	3.8
149.02480	1.5
149.06096	1.1
151.00435	0.7
151.03996	1.1
153.01961	2.2
153.05608	6.1
154.02724	0.8
155.03447	1.7
156.01823	0.7
156.31328	0.6
160.01645	1.3
161.02415	2.7
161.04727	1.3
161.06107	1.7
162.06891	1.6
163.04039	2.7
163.07599	0.8
164.04785	1.1
165.01988	0.9
165.05505	0.9
165.09239	1.6
166.99896	3.5
167.03435	0.9
168.00717	0.9
168.04248	1.3
173.04573	2.3
173.43303	0.6
175.00433	1.1
175.04079	1.4
175.07510	0.8
176.04872	0.7
179.03468	1.8
179.05568	1.2
180.04350	0.8
181.01436	4.8
181.05066	1.0
182.02223	7.7
183.02962	3.8
190.02699	2.9
191.05588	2.4
191.07172	1.6
193.05138	0.9
194.05775	1.0
195.06570	0.7
196.03761	1.4
197.04568	23.5
198.04901	1.1
205.05128	3.7
207.06786	0.9
209.08197	2.7
211.06007	0.9
221.08173	2.8
223.06168	1.2
225.04034	1.3
281.06604	0.7
298.12189	1.0
311.04175	1.5
311.07755	4.1
313.14389	0.8
326.06485	8.1
329.06671	1.0
341.08792	100.0
342.09265	5.8
342.74524	0.7
343.11865	2.5
357.13440	46.9
358.13913	4.4
387.14542	1.7
437.29199	3.3
537.21362	0.7
545.31085	0.7
663.36304	1.9
698.40277	1.1
699.21887	5.8
699.37427	3.3
700.23041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
59.01382	8.0
61.98836	100.0
64.71168	0.4
65.00342	0.9
67.01902	1.5
70.67140	0.5
71.01397	6.2
72.99332	0.7
73.02947	1.1
75.00892	0.6
81.03503	0.6
83.01424	1.3
85.02949	2.6
87.00883	1.1
88.98830	1.0
89.02464	3.9
91.01904	4.3
93.03480	1.6
95.01411	2.0
96.96033	2.0
101.02458	3.0
107.01428	1.6
108.02207	3.1
109.02966	3.6
111.00900	2.0
113.02480	2.2
119.03533	0.8
119.05013	0.8
121.02979	0.6
122.93111	0.5
123.00901	2.7
123.04543	20.0
124.04853	1.0
125.02493	1.9
128.39302	0.6
133.03006	0.9
134.03760	1.5
135.04552	1.8
137.02458	1.7
139.03979	0.7
145.02997	0.5
147.04555	0.6
150.03275	0.6
151.00374	3.4
151.04031	0.5
152.01184	5.3
153.01962	5.1
165.01913	0.8
165.05547	0.8
166.02670	2.4
167.03510	47.0
168.03859	2.1
172.91873	0.5
173.04581	1.6
178.02747	0.6
179.03621	1.1
181.05087	1.6
190.02608	0.7
191.05571	2.5
193.05037	1.4
194.02290	1.6
195.02972	1.4
195.06645	0.6
205.04964	0.6
209.04561	10.3
210.05099	0.6
239.05533	0.8
255.04820	0.8
269.06512	2.9
271.02628	0.6
285.03873	0.8
286.08426	0.6
299.01999	1.5
311.07571	0.7
313.03555	0.8
314.04349	1.9
328.32666	0.6
329.06650	4.2
333.16055	0.5
369.09732	0.7
403.41388	0.5
429.57892	0.5
480.23245	0.5
637.17639	7.2
671.39813	0.6
699.28760	66.0
700.29083	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	700.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84210	0.2
57.03463	0.2
59.01383	1.4
61.98838	100.0
62.98521	0.3
67.01884	0.2
70.91235	0.1
71.01402	1.3
71.58573	0.2
72.99303	0.1
73.02960	0.2
73.39972	0.1
81.03524	0.2
83.01405	0.3
84.59634	0.1
85.02959	0.5
87.00906	0.2
88.98861	0.2
89.02457	0.8
91.01906	1.0
93.03488	0.4
94.82141	0.1
95.01407	0.3
96.96040	0.6
101.02467	0.8
107.01434	0.5
108.02211	0.8
109.02974	0.5
111.00904	0.6
113.02471	0.5
120.01247	0.2
121.02979	0.4
123.00915	0.6
123.04553	3.2
124.04875	0.5
125.01251	0.1
125.02448	0.3
133.02945	0.3
134.03775	0.5
135.04552	0.5
137.02443	0.7
138.03215	0.2
139.00368	0.1
147.04526	0.2
149.02428	0.2
151.00453	0.7
152.01166	0.9
152.25885	0.1
153.01930	0.6
161.02391	0.2
161.04570	0.2
163.04019	0.3
165.01984	0.3
166.02771	0.3
167.03522	7.8
168.00557	0.2
168.03847	1.6
173.04579	0.2
179.03542	0.3
181.05139	0.2
190.02734	0.2
191.05618	0.3
193.05151	0.3
209.02998	0.2
209.04613	1.4
210.04872	0.3
238.10954	0.1
243.03040	0.2
269.06677	0.2
270.01724	0.4
271.02530	0.6
271.06030	0.2
285.04016	0.8
299.01953	1.5
300.02646	0.3
313.03543	1.1
314.04312	1.7
315.04724	0.3
328.05942	0.3
328.48029	0.2
329.06702	3.8
330.07019	0.2
369.10034	0.2
382.58908	0.2
404.14429	0.2
456.04846	0.2
465.15659	0.5
549.17633	0.6
637.17749	6.0
638.18018	0.6
642.28796	0.2
699.28485	2.9
699.39349	0.2
700.29163	8.0
701.29156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
57.03426	1.5
59.01390	15.4
61.95777	1.0
61.98835	7.8
68.99819	1.1
69.03471	1.1
69.70732	4.8
71.01392	21.2
72.99298	1.1
73.02940	4.0
75.08876	1.0
79.99398	0.9
83.01382	3.7
85.02958	8.6
87.00884	2.0
88.98824	0.9
89.02445	6.0
93.03468	51.6
94.03818	2.2
95.01391	2.3
96.96030	12.4
96.99300	1.5
97.02959	1.0
99.00875	1.4
101.02453	14.6
107.05025	1.4
108.02182	11.7
109.02975	6.4
112.56103	0.9
113.02466	9.5
116.92883	1.4
119.01424	1.1
119.03505	3.0
119.05036	3.4
121.02915	4.3
123.00906	2.1
123.04515	1.8
124.01651	1.2
125.02480	1.7
131.03484	1.2
134.03741	2.3
135.04515	5.5
136.01666	8.4
137.02463	81.1
138.02867	1.6
139.03888	0.9
145.02925	2.4
147.04529	3.7
149.02440	3.0
150.03146	1.4
151.04041	8.8
152.01157	11.7
152.04767	2.8
153.01993	6.2
153.05600	1.6
159.04439	1.5
160.05286	2.8
161.02475	1.5
161.04568	2.1
161.06024	1.8
163.04022	8.4
164.04736	1.5
165.01854	1.1
165.05380	1.6
165.09125	0.9
166.02701	1.2
167.03461	2.0
168.00594	1.3
173.04562	2.4
174.03291	1.0
175.00386	1.2
175.04015	11.6
175.07686	2.6
176.04698	2.3
177.05545	3.9
178.06200	0.9
179.03494	3.7
179.05695	1.4
180.04355	4.6
183.13884	1.3
184.03647	1.2
188.04816	1.9
189.05553	3.4
190.02753	4.6
190.06364	14.5
191.03360	2.7
191.05615	2.7
191.07152	7.7
193.05037	6.0
194.05847	6.7
195.06621	1.2
197.04643	2.0
203.07269	2.0
205.05067	3.4
205.08714	12.3
206.05493	2.0
206.08974	1.2
207.06699	4.8
208.07399	7.5
209.04774	1.0
211.13419	9.0
218.89108	0.9
222.08975	1.4
223.06105	1.4
231.12300	1.3
237.40987	1.1
281.06693	100.0
282.07007	6.0
311.07828	4.3
315.07330	1.9
329.13943	2.2
341.08743	6.2
369.15546	3.5
374.13550	1.4
375.14575	17.0
375.19150	0.7
376.14697	2.1
385.34518	1.0
389.16129	13.7
390.16663	1.5
397.13693	8.2
405.15555	22.0
406.16031	1.7
415.14612	1.9
419.79373	0.9
489.13901	0.9
497.34662	1.7
592.27466	0.9
609.27850	2.9
671.23700	1.5
701.24011	39.3
702.24585	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	701.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06841	0.5
55.78465	0.5
59.01386	100.0
62.06359	0.5
71.18452	0.5
71.18770	0.7
82.23817	0.5
84.09070	0.5
87.07628	0.4
96.95999	0.5
117.09230	0.5
118.01182	0.5
175.02208	0.5
217.07738	0.6
343.22583	0.5
437.12717	1.3
438.13464	3.8
451.14545	0.6
452.14908	2.8
453.15750	1.2
467.13562	0.7
480.14313	0.9
481.15225	30.3
482.15524	7.8
484.13931	0.6
495.16788	12.0
496.16895	3.4
497.18683	5.7
498.18631	0.6
514.15063	2.4
523.16278	0.8
525.14148	1.6
539.15863	1.4
540.16534	7.8
541.16846	1.4
553.17773	0.8
554.17932	3.9
555.18909	60.8
556.19147	12.9
567.18854	1.3
572.15576	14.8
573.15790	3.6
586.17242	6.4
587.17621	1.7
609.19696	1.7
627.21271	1.4
641.22607	27.1
642.22821	7.9
701.24713	71.3
702.24945	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	703.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
57.03450	1.4
59.01383	9.1
67.01881	1.0
68.99821	0.9
69.84457	2.3
71.01387	8.4
72.99311	2.6
73.02961	1.4
75.00889	8.9
81.03465	0.4
84.02217	0.4
85.02960	13.2
86.03296	0.5
87.00880	4.8
89.02471	2.1
93.03466	1.8
95.01405	2.4
96.96017	1.3
99.00887	4.9
101.02464	0.8
101.06094	69.4
102.06432	1.9
103.00386	1.3
109.02979	0.8
111.00876	0.6
113.01714	0.8
113.02464	11.9
114.02710	0.6
115.00364	1.0
117.01968	2.2
120.15588	0.5
120.99661	1.1
121.02886	0.5
129.01952	1.7
133.02943	2.4
135.04521	1.0
146.32939	0.4
157.01398	0.5
158.90112	0.5
161.02426	0.5
173.04573	1.7
174.50571	0.4
175.02509	1.7
177.01968	0.6
179.03473	0.7
180.42349	0.4
191.05595	2.3
205.07329	0.7
231.04973	0.7
243.70975	0.4
249.06165	10.0
250.06396	0.6
267.07004	1.3
293.04465	0.6
333.12003	1.1
337.03589	1.8
351.12988	100.0
352.13263	8.8
355.04449	0.6
504.29376	0.4
651.19733	0.5
665.23877	0.6
703.23523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08873	1.1
57.03448	2.1
59.01384	6.5
60.01657	1.2
61.98834	9.3
63.96238	2.4
65.02235	1.0
71.01385	9.4
71.55987	1.7
73.02944	2.3
78.95935	1.9
78.98597	6.5
79.95747	16.2
80.96524	79.1
83.01386	1.7
83.05020	1.5
85.02937	4.8
87.00870	3.4
87.34573	1.1
89.02464	2.1
90.46726	1.2
93.03455	2.0
94.98100	18.6
96.96015	7.9
97.02950	2.6
99.00860	3.0
101.02430	4.8
106.98076	3.9
109.06637	1.9
113.02436	2.8
122.97584	4.5
125.02411	2.6
127.04014	2.1
133.02937	2.5
134.97568	4.7
135.04453	1.5
136.99103	2.0
137.02464	1.4
148.99155	6.4
149.31824	1.0
152.98628	8.5
161.04518	1.5
163.11243	3.4
164.98633	11.4
165.05569	1.9
191.05658	1.8
194.67371	1.2
195.06522	1.2
196.97272	1.2
206.99629	3.2
207.10349	6.3
209.11829	10.4
211.13405	1.9
225.00737	19.0
225.11276	4.8
227.12929	3.0
291.03738	1.9
351.06396	1.3
381.48517	1.2
507.13284	6.0
508.12900	2.0
671.32440	1.7
703.30017	100.0
704.30450	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63247	0.9
59.01386	13.4
61.98833	7.9
62.56033	1.0
63.98718	0.9
67.01923	1.1
71.01394	7.8
71.80354	0.9
73.02953	1.1
75.00914	1.2
77.76286	1.1
78.95927	1.6
80.02682	2.4
81.03458	5.7
83.01379	1.7
83.05027	10.5
84.02165	1.1
85.02956	4.6
87.00908	1.5
89.02466	5.3
93.03515	2.5
94.64187	1.1
95.05048	1.7
96.96028	3.8
97.02959	6.1
98.20656	2.4
99.00883	1.7
101.02438	6.6
109.06606	24.8
110.06857	1.2
113.02470	4.7
119.03513	1.7
119.04957	1.1
121.06647	1.5
125.06161	1.1
125.09731	1.3
135.04471	1.2
135.08186	3.0
135.27634	1.0
136.05331	1.1
137.02440	1.2
142.02779	1.5
145.05157	1.0
161.04581	2.4
161.09740	1.9
163.03923	1.1
163.11307	17.0
165.12854	2.4
169.12358	2.5
171.10303	1.7
173.04559	1.9
178.66652	1.0
179.05588	1.4
181.12318	5.0
185.11839	1.5
189.09238	2.1
189.50645	1.0
191.05602	1.4
197.11850	1.8
207.10287	65.2
208.10640	3.0
209.11845	100.0
210.12212	5.8
211.13365	2.3
225.11330	26.3
226.11717	1.4
227.12883	15.0
228.13213	1.7
228.26361	1.0
235.08232	3.6
247.13483	1.2
249.11397	1.5
253.09256	10.7
299.15240	1.0
311.49774	1.1
329.07022	1.4
399.21814	6.8
410.31647	1.3
417.22952	6.3
443.19159	3.3
445.20706	1.1
461.20367	11.2
462.20645	1.1
635.30957	15.1
636.31348	2.7
653.31750	12.2
654.32385	2.6
671.32758	25.7
672.33569	4.6
703.36182	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	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06640	12.8
55.63695	12.5
61.98834	14.1
62.34274	10.9
66.10148	12.2
69.41074	11.1
69.43352	100.0
74.12597	11.2
98.34708	12.1
171.10245	27.5
193.14386	14.7
208.96315	13.4
320.84875	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	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51458	72.5
61.98842	100.0
69.47066	72.3
78.95938	72.5
167.73544	65.3
171.10251	72.2
255.50812	75.7
270.69257	67.1
277.21674	73.3
330.84320	65.1
442.95660	73.2
593.93518	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.0
60.01722	0.6
61.01812	0.3
61.98837	100.0
65.40228	0.2
71.19345	0.3
175.57657	0.2
209.11824	0.5
246.59161	0.2
277.21756	0.6
320.53336	0.2
482.15460	0.3
483.15179	1.1
484.15451	1.8
497.17175	0.5
498.17490	0.8
499.18231	0.3
500.18683	0.3
542.17432	0.2
543.17334	0.6
556.18750	0.4
557.18945	2.0
558.19293	4.1
559.19366	0.5
574.14569	0.2
575.15729	1.2
589.17725	0.4
643.23218	0.2
644.22803	2.3
703.25128	0.5
704.24854	6.5
705.24414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.00600	0.9
58.40741	0.6
59.01387	100.0
60.01731	1.4
61.98830	1.0
67.01929	0.7
69.03485	0.7
69.19917	5.1
69.20324	1.4
71.01393	14.6
73.02953	14.5
73.81672	0.7
74.02503	2.8
83.01392	4.9
85.02959	6.9
87.00903	1.1
89.02448	3.3
93.03470	6.3
95.01436	1.1
96.96025	3.5
98.19882	1.6
99.00892	1.0
100.76492	0.6
101.02450	14.6
108.02197	1.4
109.02967	1.0
111.00932	1.0
113.02457	6.0
113.58897	0.8
116.05089	1.3
119.03542	1.1
121.02927	0.8
125.02503	1.1
131.03514	1.0
133.03006	3.1
134.03819	0.8
135.04594	2.4
137.02484	3.8
143.03511	1.4
149.04590	1.7
152.01212	1.0
153.02031	0.9
155.03568	0.9
161.02473	7.4
161.04568	6.5
168.00607	1.0
173.04608	3.1
177.01958	0.7
179.03595	1.6
187.23596	0.6
191.05620	9.0
191.07178	0.9
193.05182	0.9
203.08376	2.5
217.00591	0.7
245.09390	5.6
269.10367	10.2
269.13083	0.8
270.10632	0.9
311.11395	4.3
339.05209	6.8
351.07642	0.7
377.04926	0.8
473.16425	0.6
513.10376	7.9
630.20612	0.8
704.24042	1.9
705.20233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.1
59.01377	5.5
67.01889	4.6
67.89385	1.3
69.03452	1.8
71.01395	6.6
75.18642	1.4
81.03477	2.2
83.05012	2.3
85.02959	15.3
87.00890	4.8
89.02484	2.2
89.03977	2.7
93.03467	32.6
95.05034	3.0
95.08038	1.4
96.96008	6.7
101.06069	2.8
105.03472	6.7
105.29813	1.4
109.02971	10.7
111.00871	12.0
111.04524	9.0
113.02471	1.9
115.00370	3.2
116.50420	1.3
117.03477	4.1
119.05048	4.3
121.02945	2.9
123.04491	1.9
125.02383	1.5
127.04009	3.6
129.01891	2.2
130.10974	1.2
133.02972	48.2
134.03767	57.2
135.04546	25.3
137.02446	6.0
147.04546	1.6
149.02531	1.8
149.06038	3.6
150.83723	1.3
155.03474	6.6
159.04501	4.6
161.02460	18.7
163.04019	3.9
173.01042	6.4
173.04562	100.0
174.04887	3.3
177.01941	25.8
178.02486	2.9
179.03511	28.0
185.02364	3.2
191.02101	2.6
191.05629	96.4
192.05995	2.7
193.05064	62.0
193.06810	3.3
194.05548	1.7
203.03534	3.0
218.81857	1.3
221.06108	1.9
223.07538	1.5
229.01445	4.1
239.07109	3.3
241.05019	5.7
249.05521	2.4
251.06995	1.4
265.05023	1.7
267.06647	5.2
269.08200	4.6
277.05118	3.9
289.05780	1.9
293.06906	3.2
295.06009	12.2
307.08151	2.0
313.07156	2.0
321.04135	7.1
339.05087	55.7
340.05347	4.4
351.07211	20.0
351.12949	3.6
352.07858	2.2
353.08789	26.5
354.08914	2.3
357.10004	1.7
367.10382	30.9
368.10736	2.8
463.10956	10.7
464.11133	2.1
487.12466	4.5
513.03180	2.6
513.10468	48.6
514.10529	6.4
531.11511	2.1
705.17059	9.3
706.18005	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	705.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74471	0.6
57.03444	1.0
59.01387	7.9
61.98827	1.8
65.99041	0.6
67.01884	1.8
69.03453	1.1
71.01389	5.5
71.56448	0.9
72.99330	0.7
73.02937	1.4
81.03476	1.4
83.01394	1.2
83.05035	2.1
85.02972	5.1
87.00873	3.4
88.98804	0.8
89.02441	1.8
92.09193	0.6
93.03470	26.0
94.03794	0.7
96.96019	5.4
97.44496	0.6
99.00892	1.4
99.06763	0.6
101.02454	2.6
108.02201	1.2
109.02930	1.5
111.00887	1.7
111.04536	6.8
113.02461	1.7
116.92893	0.6
117.03474	1.5
121.02966	2.5
123.04456	0.8
125.02489	1.5
127.04032	1.3
129.01976	1.4
132.02179	5.0
133.02968	3.9
134.03755	60.0
135.04468	3.8
137.02457	18.1
138.02740	0.8
139.03992	2.6
143.03490	0.6
149.02469	1.4
149.06094	18.1
150.03233	2.1
151.03998	0.8
153.05482	0.7
155.03539	8.3
160.01672	25.8
161.02473	5.9
164.04707	0.8
165.01945	1.0
165.05551	1.4
173.04561	47.5
174.04883	2.1
175.04018	26.5
176.04410	1.2
177.01875	1.3
178.02722	31.0
179.03397	2.8
190.02740	0.7
191.05612	8.0
191.07172	1.0
192.04283	1.6
192.05963	0.8
193.05070	100.0
194.05466	4.0
195.06544	0.7
205.05103	1.1
207.06683	0.7
209.02867	0.7
223.06122	0.8
281.06757	1.7
323.07703	2.8
337.09308	26.1
338.09692	2.5
339.04938	3.0
349.09302	2.1
367.10342	10.5
368.10678	1.3
513.10321	6.2
529.15332	2.9
531.15131	55.3
532.15363	9.2
543.14960	3.6
645.94507	0.7
705.20331	9.7
706.20807	1.9
728.34143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
57.03437	4.8
58.00604	2.5
59.01384	51.6
60.01713	1.0
61.98841	6.6
69.03465	3.1
71.01387	45.3
71.56081	1.4
72.99302	3.8
73.02946	7.1
80.02676	1.3
80.96530	1.2
81.03457	3.6
83.01389	6.8
83.05019	2.6
85.02950	9.8
87.00883	10.4
89.02454	43.1
89.04653	1.1
90.73833	1.0
93.03452	3.3
95.01394	3.9
95.05023	2.7
96.96013	5.3
97.02948	10.1
97.06610	5.7
99.00869	3.8
101.02445	33.2
109.06610	3.2
111.04487	1.7
111.08151	1.7
113.02465	14.2
119.03518	12.6
119.04984	1.6
119.08667	1.0
122.04852	1.1
123.04523	3.9
123.08195	1.5
125.02448	10.5
125.09734	7.5
128.03566	1.4
131.03419	1.4
133.05081	1.2
135.08136	2.0
137.02460	1.2
137.06059	2.3
137.09763	5.4
141.01976	2.1
143.03487	5.9
149.06076	1.1
151.11288	1.7
156.72862	1.3
161.04555	8.6
163.11298	8.5
165.12827	4.6
171.10262	2.4
173.04611	1.5
175.11330	1.4
177.12831	1.1
179.05602	8.7
179.10733	1.6
181.12286	4.9
183.13887	1.5
185.11838	8.7
191.10742	2.8
191.14453	8.2
192.14754	1.4
197.11742	1.2
207.10275	8.7
209.11848	36.5
210.12166	3.2
211.13461	5.1
217.15826	1.2
221.06665	2.7
225.11330	5.7
227.12914	4.4
235.08221	10.4
237.11369	8.5
245.19135	18.0
253.09187	3.9
263.07755	2.4
263.20193	6.4
271.16931	1.9
281.21362	1.4
289.18109	81.6
290.18311	5.6
305.08417	1.7
307.19168	100.0
308.19531	8.2
309.20874	1.3
320.09378	2.1
325.20187	1.8
397.08270	2.3
397.13544	47.5
398.13721	3.4
410.80765	1.1
415.14606	42.3
416.14981	2.7
607.25995	5.7
608.25519	1.4
673.34497	2.1
687.31781	1.6
705.33539	10.6
706.33710	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	705.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32624	2.2
57.03470	5.4
58.00577	3.4
59.01107	4.1
59.01386	54.2
61.98837	63.0
69.03458	5.2
71.01394	40.4
71.05033	2.6
71.56089	4.1
72.99303	3.5
73.02949	9.3
73.19024	2.0
79.95735	4.4
83.01393	7.3
83.05047	5.3
85.02959	17.6
87.00868	9.6
88.98830	7.6
89.02454	27.4
93.03464	11.0
94.59128	2.2
95.01394	5.4
95.05032	2.3
96.96024	100.0
98.95607	3.3
99.00888	4.9
101.02447	27.9
107.05084	2.3
108.02172	4.1
109.02936	4.5
109.06585	2.7
113.02442	12.3
116.92791	2.7
119.03503	6.9
119.05038	5.6
119.08659	4.7
120.79820	2.4
121.02962	4.1
123.04556	3.6
125.02447	7.5
125.09760	7.7
132.67615	2.2
134.03798	3.0
135.04520	7.2
137.02454	10.7
137.09738	2.9
150.03223	5.1
151.00407	3.2
151.11293	5.0
152.01196	2.4
153.01920	2.6
153.12912	3.1
155.10847	2.9
159.03004	2.8
161.02440	5.6
161.04539	9.4
161.09717	5.7
163.04088	5.7
163.07635	3.6
163.11272	2.9
164.04869	2.7
165.05582	3.6
165.09253	3.7
166.02740	2.7
171.10249	9.2
173.04533	10.1
175.04068	4.2
179.03476	5.5
179.05620	6.3
179.07037	2.9
179.10796	8.8
190.02722	3.4
191.05617	14.8
193.05064	3.5
197.11841	78.0
198.12199	4.5
201.11340	37.7
207.10242	5.9
209.11839	42.5
211.13554	2.8
225.11279	7.5
227.12967	5.0
241.10838	4.2
242.68861	2.3
251.75406	2.5
253.09300	8.8
269.04419	2.6
289.18066	4.7
290.18460	3.1
307.19150	6.7
329.06509	3.3
337.09427	3.8
390.08264	2.8
399.16660	4.0
465.12109	3.3
507.12915	3.7
561.29010	3.2
661.30591	21.1
662.31299	3.6
667.39020	16.6
669.40454	15.0
687.32330	75.2
688.33148	12.9
705.33490	65.9
706.34198	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	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24157	0.7
59.01152	0.7
59.01387	7.3
61.98841	5.9
71.01389	7.9
71.55822	0.7
73.02955	1.5
78.95921	0.7
81.03477	1.8
83.01393	1.7
83.05038	5.7
85.02956	2.9
87.00867	3.3
88.56622	0.7
88.98811	0.7
89.02434	3.4
93.03478	1.5
95.05035	1.2
96.96029	2.6
101.02473	3.7
109.06613	0.9
109.72089	0.8
111.00936	0.8
113.02453	3.0
119.03540	1.3
121.02975	0.9
125.09739	0.7
135.04581	1.0
135.08159	1.4
137.02454	1.4
143.03516	0.9
161.04585	1.3
163.11299	3.8
165.05675	0.9
165.12827	1.4
169.12355	4.2
171.10330	5.0
173.04530	2.0
191.05609	1.7
191.10771	0.8
197.11986	1.6
201.11246	1.2
207.10274	2.6
209.11844	100.0
210.12169	6.3
225.11310	2.4
227.12930	12.9
235.08292	2.7
235.96776	0.7
253.09303	6.8
289.18130	2.2
307.19189	2.3
397.13623	1.0
415.14600	1.7
445.20859	1.4
637.32031	1.0
687.32343	1.9
705.34424	2.9
706.34973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32243	0.9
59.01384	37.1
61.98841	1.5
68.67401	0.8
71.01401	7.3
72.08979	1.1
73.02956	1.8
78.95923	1.6
83.01398	0.9
85.02972	1.4
87.75616	0.9
89.02471	1.8
97.02917	1.1
101.02464	2.7
113.02461	3.1
125.06129	1.1
136.05373	1.1
138.06865	4.7
139.07625	2.0
151.07661	3.0
152.08426	4.1
153.08063	1.7
153.09229	25.0
161.04532	1.6
171.92953	0.9
190.09998	1.0
205.12363	9.1
209.11871	3.3
223.13354	5.5
263.97638	1.0
277.21738	100.0
277.66870	1.0
278.22104	7.5
291.23352	5.5
311.26553	1.2
319.22772	3.0
367.17657	1.3
385.18503	1.9
442.72418	1.0
538.11029	1.8
645.39899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
59.01377	1.8
67.01900	5.9
69.03483	0.7
69.30475	5.0
71.01384	4.0
72.99310	3.3
73.02950	1.4
78.69135	0.6
81.03468	0.7
83.01373	3.0
83.05037	1.4
85.02959	22.9
87.00890	2.2
93.03471	17.9
94.03796	0.8
96.96029	5.4
98.20718	0.9
99.00895	1.2
101.02435	1.8
108.02197	1.3
109.02971	5.4
111.00890	100.0
111.04509	4.8
112.01220	3.6
115.00396	2.1
117.01960	1.9
121.02969	0.7
127.03978	1.6
129.01941	6.1
133.02956	2.0
134.03816	3.1
135.04544	40.3
136.04861	1.6
137.02458	3.7
149.06116	1.5
154.99883	14.4
155.03468	3.8
161.02486	2.9
161.06142	1.9
163.00496	0.5
171.02977	0.7
173.00929	64.3
173.04555	64.8
174.01282	1.7
174.04832	2.7
175.03987	0.9
177.01958	0.8
179.03510	39.6
180.03862	2.0
191.01999	34.2
191.05623	54.5
192.02376	1.2
192.05911	2.9
193.05135	0.6
209.03061	0.8
219.02950	0.9
241.05049	0.7
241.21469	0.6
242.05873	3.8
243.06537	1.7
271.09784	5.5
295.36642	0.7
297.07660	1.6
341.06729	1.4
353.05069	6.9
353.08841	44.3
354.05328	1.0
354.09164	4.7
359.07779	6.2
360.08221	1.1
367.98367	0.5
415.86053	0.7
463.11279	1.0
515.11877	1.5
531.97375	0.6
533.13080	5.6
534.13690	0.7
707.18231	8.9
708.18097	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	707.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.4
59.01387	2.4
60.99324	0.4
67.01916	1.0
69.03455	0.5
69.70760	1.6
69.71163	0.6
71.01391	3.7
73.02956	0.7
74.22886	0.6
75.00816	0.4
81.03447	0.6
83.05018	0.8
84.73376	0.4
85.02959	10.3
87.00901	3.5
93.03470	14.4
94.03790	0.5
98.19937	0.8
99.00851	0.5
101.02467	0.5
107.04992	0.5
108.02200	2.0
109.02970	5.5
111.00871	0.8
111.04543	3.7
115.00383	2.7
121.02940	1.6
123.04546	0.7
127.04031	2.9
129.01973	0.6
133.02951	1.0
134.03766	1.0
135.04538	21.2
136.04843	1.0
137.02458	1.6
138.65331	0.4
146.18831	0.5
147.04492	0.7
148.05272	0.9
149.06071	2.2
153.02069	0.4
155.03494	1.6
157.30032	0.4
159.04550	0.7
160.04050	1.0
161.02444	1.6
161.06116	2.3
162.06767	0.4
162.12686	0.4
171.02968	0.6
173.04555	19.3
174.04890	0.8
175.04059	0.6
179.03511	15.3
180.03906	0.8
191.05627	100.0
192.05991	3.6
213.05586	0.5
226.06303	0.5
241.05109	1.4
242.05890	6.6
243.06618	9.1
244.06966	0.7
255.06642	0.9
269.08185	0.4
271.09756	8.2
272.10141	0.8
279.06702	0.5
289.05634	1.3
297.07684	1.5
310.05276	0.4
315.08832	0.6
323.05447	0.6
323.16714	0.4
341.06479	1.3
353.08774	14.0
354.09067	1.0
359.07730	6.7
360.08130	0.7
428.31424	0.4
430.51648	0.5
463.10883	1.5
489.14059	0.7
515.11731	1.5
533.13025	11.4
534.13281	1.3
613.27100	0.4
707.18317	25.7
708.18811	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	707.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
62.03564	0.3
63.32589	0.3
67.01900	0.5
69.37613	2.2
71.01378	0.8
73.02919	0.3
77.93164	0.2
85.02960	6.3
87.00881	1.1
93.03466	4.1
96.96019	0.7
103.99025	0.3
108.02187	0.4
109.02967	1.0
111.04539	1.5
127.04028	1.5
133.02917	0.6
134.03815	0.3
135.04541	6.5
137.02457	0.6
155.03462	0.5
158.52492	0.3
161.02437	1.8
161.06030	0.4
171.03055	0.6
173.04567	9.5
179.03496	5.5
180.03899	0.3
191.05627	100.0
192.05954	4.4
208.14668	0.3
220.88301	0.2
242.05862	1.2
243.06598	0.4
267.23697	0.3
271.09814	1.4
353.08801	18.2
354.09158	1.7
359.07642	1.5
443.00641	0.3
480.36166	0.3
533.13159	1.2
599.24481	0.3
697.00238	0.3
701.50830	0.3
707.18414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21651	6.7
59.01382	50.9
61.98837	66.7
71.01402	38.0
71.12513	13.9
72.99326	6.3
74.19386	6.1
75.88137	5.7
78.95943	5.6
80.96512	10.3
83.05031	10.3
85.02965	18.8
87.00852	10.2
89.02457	32.2
89.88717	6.7
90.98579	7.9
93.03468	7.9
96.96023	24.6
101.02460	20.0
109.02975	6.4
109.06608	16.8
113.02450	17.3
119.03484	9.3
127.05141	7.1
128.03575	10.4
161.04652	8.8
163.11308	11.2
173.04509	9.7
173.73898	5.4
181.12384	6.3
191.05591	18.7
207.10297	61.8
209.11832	100.0
225.11372	30.7
226.01035	6.3
227.12895	25.3
231.10214	6.2
253.09361	16.5
291.19702	11.8
309.20782	44.1
321.09760	9.7
397.13538	19.6
403.57941	7.4
415.14758	13.7
417.22699	8.4
461.20007	9.5
541.30945	6.6
565.88477	6.4
635.30804	24.4
653.31415	18.2
671.32379	46.5
707.31830	25.7
707.36896	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	707.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20121	0.5
55.01884	0.8
55.13872	0.4
57.03465	0.9
59.01386	100.0
60.01714	0.8
69.64142	0.7
69.64552	2.1
71.01391	9.0
72.99320	0.6
73.02946	4.1
79.95741	1.0
83.01407	1.8
85.02967	5.0
87.00861	1.0
89.02462	1.2
93.03451	2.4
95.01422	0.9
96.96021	22.8
97.02944	0.4
99.00909	1.9
101.02454	9.8
101.03106	0.7
109.02946	0.4
111.00880	0.8
111.04560	0.5
113.02452	3.4
119.03515	0.4
129.01929	0.4
133.03024	0.5
134.62813	0.4
135.04556	2.4
143.03499	0.7
149.06120	0.8
152.08469	0.9
153.09200	3.4
159.03036	1.0
161.02513	0.6
161.04584	3.9
173.04550	3.7
179.03613	1.0
191.05632	5.9
205.12444	1.0
223.13399	1.0
235.11885	17.5
236.12268	1.1
277.12939	8.7
277.15674	0.8
278.13321	0.9
279.46930	0.4
295.06735	0.5
334.72815	0.5
353.08890	1.7
385.18936	1.6
515.11029	0.7
707.18860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
58.00617	1.1
59.01384	21.5
61.98829	8.0
62.49044	0.9
65.82657	1.0
69.03478	1.6
71.01389	18.9
71.55781	1.6
72.99315	1.8
73.02943	4.0
79.95773	1.5
81.03452	1.8
83.01388	2.1
85.02988	5.7
87.00880	3.3
88.98826	3.2
89.02451	18.9
91.04000	1.0
93.03445	2.1
95.05022	1.1
96.96019	5.0
97.02964	1.6
97.06609	2.8
97.54302	1.0
99.00851	1.5
101.02442	11.8
102.93248	1.0
105.38208	1.2
109.02949	1.7
111.00885	2.2
113.02489	5.6
113.09721	1.5
119.03521	4.2
125.02438	3.2
128.03520	1.1
135.04497	1.4
137.02486	1.5
143.03520	1.8
161.04565	3.2
163.03987	2.2
163.11330	1.4
164.98616	1.2
165.12865	2.2
171.10223	1.5
173.04578	3.6
179.05630	3.8
181.12398	2.4
183.13879	2.0
191.00194	1.0
191.05585	3.0
193.04987	1.3
193.12296	1.3
195.13922	1.6
202.38055	1.0
202.40260	1.0
205.04953	1.5
207.10240	1.6
209.11827	4.0
211.13387	3.8
213.14973	4.0
221.15495	1.7
225.11365	1.9
235.08240	1.7
247.20653	2.5
253.09177	1.3
257.76340	1.1
273.18539	3.2
287.07889	1.2
291.19675	27.3
292.20020	3.8
309.20743	100.0
310.21085	9.2
319.59830	1.1
397.13501	18.2
415.14587	19.0
448.61111	1.1
516.43219	1.1
707.35248	16.3
708.35120	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	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40330	0.4
55.01899	0.5
57.03444	2.4
58.00588	1.7
59.01386	28.3
61.98833	4.0
62.74010	0.5
69.03467	2.7
71.01389	22.6
72.01734	0.5
72.99313	2.2
73.02952	3.1
75.00850	0.7
81.03452	1.3
83.01395	3.1
83.05028	1.3
85.02960	6.7
87.00880	4.1
89.02452	22.7
91.03977	0.7
93.03455	1.9
95.01404	1.7
95.05006	0.5
96.96020	1.6
97.02950	6.3
97.06585	1.0
99.00890	1.4
99.04539	1.3
101.02451	18.5
109.06577	1.2
111.00882	1.8
111.04530	0.7
111.08172	4.7
111.80308	0.5
113.02460	7.7
115.04007	0.7
119.03506	6.2
119.05054	0.7
119.08698	0.6
121.02982	0.7
123.04546	0.8
125.02471	6.8
125.09708	0.9
131.03496	0.9
135.04477	0.5
137.02426	0.9
137.09692	2.4
139.04022	0.8
143.03465	2.4
149.04643	0.9
155.03477	0.5
161.04575	3.7
163.11258	2.3
165.12889	4.5
166.05937	0.5
166.13177	0.6
167.10779	0.6
169.12337	1.7
171.10278	7.1
173.00940	1.2
173.04539	2.0
179.05635	4.4
181.12401	2.3
183.13853	1.2
185.11856	1.2
190.02702	0.5
191.05566	1.2
193.12408	0.7
193.15976	0.7
197.11838	19.1
198.12148	1.4
199.13437	1.4
201.11333	1.3
207.10254	1.6
209.11858	4.5
210.12193	1.5
211.13521	2.8
221.06639	1.0
221.11700	0.6
223.13385	1.1
225.11308	1.1
227.12915	3.2
229.08336	0.7
235.08305	4.2
247.20711	2.8
253.09238	1.7
263.07776	1.2
263.20187	1.1
265.18100	0.5
273.18677	1.6
287.07935	1.2
291.19684	33.2
292.19943	3.6
305.08752	1.4
309.20734	100.0
310.21045	10.6
323.09946	0.8
335.34991	0.5
351.10956	0.6
397.13531	29.4
398.14053	2.6
400.44189	0.6
415.14597	33.5
416.15045	2.7
548.74298	0.6
689.34259	0.6
707.34955	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	709.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92437	0.2
55.01881	0.2
57.03449	0.4
59.01389	2.7
61.98837	3.5
65.03635	0.3
65.03969	4.6
66.04284	0.2
67.01897	2.2
69.28448	1.7
70.62850	0.2
71.01385	3.7
73.02952	0.8
78.95861	0.2
83.01391	0.5
83.05013	0.2
85.02969	1.9
87.00874	0.5
89.02461	1.1
91.01904	1.6
93.03486	0.9
96.96017	1.0
97.02957	0.3
98.19854	0.4
99.00903	0.4
100.73849	0.2
101.02451	1.9
108.02177	0.3
109.02962	51.9
110.03283	1.6
111.00874	0.2
113.02460	1.4
119.03561	0.2
119.05032	0.5
125.02484	0.2
129.01950	0.3
133.02971	0.3
135.00899	10.0
135.04512	0.7
136.01219	0.3
137.02470	1.4
143.03337	0.2
148.05319	4.1
149.02484	0.2
151.04041	0.2
152.01151	0.4
153.01950	100.0
154.02287	3.5
159.02979	0.3
161.04520	0.9
163.04034	0.6
163.07674	1.8
164.04893	0.2
171.10291	0.4
173.04521	0.5
175.04091	0.2
175.33165	0.2
177.01949	0.6
179.05684	0.3
191.01935	0.2
191.05666	0.9
195.41216	0.2
197.11749	0.3
209.11885	0.5
211.13423	0.3
242.77074	0.2
271.08310	0.6
285.21259	0.2
309.20709	0.9
310.21161	0.6
311.21304	0.2
315.07233	13.5
316.07629	1.1
339.07275	0.8
372.49045	0.2
383.06262	3.9
383.11182	0.3
384.06824	0.4
417.15381	0.3
487.34308	0.4
605.35907	0.8
606.35492	0.2
623.36560	0.4
649.38507	0.4
709.19397	2.3
709.38226	0.4
710.19818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67064	0.4
59.01176	0.3
59.01393	3.5
61.98837	11.2
69.03477	1.4
69.25307	4.7
70.38323	0.4
71.01393	4.6
73.02953	2.2
75.29433	0.4
79.01932	0.6
79.95732	0.5
81.03487	0.6
83.01383	0.8
85.02957	4.2
89.02460	1.2
93.03471	1.9
95.01405	2.2
96.96027	4.9
97.02981	0.9
98.98939	0.5
99.00915	0.5
101.02460	2.5
107.01390	0.7
108.02186	70.8
109.02982	30.9
110.03310	0.8
113.02472	2.5
116.92901	0.7
119.03500	0.5
121.02995	2.6
121.57887	0.4
123.00896	1.1
123.04557	1.5
125.02469	1.0
128.22496	0.4
132.02194	0.8
133.02966	2.5
134.03659	0.9
135.00896	3.6
135.04510	1.1
137.02477	1.2
148.05325	4.5
149.02509	1.0
149.06078	0.8
150.06903	0.8
151.04034	2.3
152.01170	78.4
153.01961	33.6
154.02295	1.4
161.02518	0.9
161.04590	0.7
163.04051	3.4
163.07632	2.1
165.00789	0.6
165.01955	3.5
173.04533	0.7
173.98451	0.4
176.01195	1.6
177.01949	30.7
178.02345	1.3
179.03535	0.7
181.05075	0.6
189.01796	0.5
190.02829	0.6
191.05632	1.0
195.02979	0.5
214.41264	0.5
219.03107	0.6
225.03978	0.5
237.98814	0.5
270.31171	0.5
315.07236	100.0
316.07578	7.7
329.06738	0.6
339.07227	51.8
340.07544	4.6
341.10501	0.7
383.06207	42.1
384.06464	3.8
401.07205	6.6
402.07669	1.0
509.34869	1.2
510.35382	0.7
511.36377	1.1
584.17303	0.5
649.38684	0.7
671.39978	1.0
673.40002	0.9
709.18811	4.4
709.38403	0.7
710.21088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
59.01385	10.3
61.98837	10.6
67.19544	0.8
69.31573	4.8
69.31995	3.6
71.01403	7.4
72.99309	1.5
73.02953	1.4
80.96503	1.1
83.01410	1.1
83.05038	2.2
85.02970	5.8
86.89791	1.0
87.00922	1.1
89.02464	3.8
93.02913	1.0
93.03483	3.3
95.01407	1.2
96.96019	3.7
98.20718	1.8
101.02448	4.7
113.02453	3.6
119.03521	1.4
119.05036	1.4
121.02923	1.2
127.93781	1.1
130.52327	0.9
134.97678	0.9
135.04546	1.7
137.02480	1.9
143.03549	1.0
149.06123	1.3
161.04594	1.9
163.03972	1.2
163.11307	1.2
165.12888	1.4
173.04550	4.4
175.04010	1.1
191.02003	1.0
191.05495	2.7
193.04939	1.2
197.11845	2.1
209.11848	100.0
210.12248	4.9
227.12907	27.5
228.13155	1.3
235.08260	2.8
253.09283	7.6
291.19492	1.0
309.20670	2.7
310.21231	1.4
311.21475	2.2
322.17902	1.2
359.28189	1.1
416.15100	1.4
445.20673	5.0
473.98270	1.2
602.66406	1.0
637.32147	2.1
649.39056	1.4
682.95660	1.2
709.31885	17.9
710.33240	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	709.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75102	0.4
55.01884	0.8
57.03464	1.2
58.00594	0.4
59.01387	100.0
60.01722	1.1
67.01908	0.6
69.71506	1.6
71.01390	9.5
72.99321	0.7
73.02959	4.2
75.00893	0.7
83.01376	1.9
85.02969	7.4
86.03339	0.4
87.00896	1.2
89.02455	3.4
93.03454	3.5
95.01421	0.8
96.96005	2.0
97.48801	0.4
99.00901	1.4
101.02460	12.2
102.19289	0.4
107.89635	0.4
109.02956	0.7
111.00892	1.2
111.04559	0.5
113.02471	5.5
118.16305	0.4
119.03546	1.7
119.05046	7.3
120.99670	0.5
125.02455	0.6
134.03748	2.4
135.04533	1.4
137.02472	0.6
143.03548	1.0
145.02980	0.7
148.13663	0.5
155.03532	0.5
159.03009	0.9
161.04567	4.3
163.04047	5.7
173.04568	8.7
174.04942	0.8
177.02060	0.5
179.03534	1.1
179.05692	1.6
184.34738	0.4
191.05617	4.9
193.05080	2.8
193.08820	0.5
197.04456	0.4
205.04980	0.5
226.47626	0.4
235.11896	19.2
236.12265	0.8
242.44661	0.5
273.07755	0.6
277.12958	12.0
278.13339	0.6
279.08734	0.8
321.12085	0.5
325.09491	1.2
367.10574	2.1
387.20370	6.5
388.20773	0.8
535.14471	0.6
709.20227	3.2
734.16187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08959	0.5
53.22638	0.5
57.03439	0.5
59.01364	0.9
63.96234	1.5
69.03462	0.7
70.28410	1.8
71.01390	8.8
72.17738	0.5
72.99303	0.5
73.02955	2.0
78.98596	6.3
79.95741	13.8
80.96523	84.0
81.03458	0.6
84.90488	0.5
85.02965	2.8
87.00882	3.4
94.14302	0.5
94.98096	17.7
96.96019	1.7
97.02940	1.5
98.20615	0.9
99.00915	0.6
101.02422	2.5
105.25790	0.7
106.98103	3.5
122.97586	2.9
125.02466	3.2
134.97556	4.4
136.99181	1.7
148.99138	6.3
152.98615	4.6
164.98645	11.8
167.00183	1.0
171.10257	2.2
206.99692	2.4
224.66289	0.5
225.00755	16.9
255.23332	1.9
279.23260	1.7
453.14255	2.6
537.27899	0.9
631.50836	0.6
659.12683	0.6
709.38391	100.0
710.38763	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	709.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.1
59.01384	6.4
59.01649	0.5
59.75863	0.3
61.98837	7.6
66.34372	0.3
66.90427	0.3
68.54352	0.3
70.85808	0.3
71.01392	4.5
72.99339	0.4
73.02977	1.0
75.00904	0.4
79.95736	0.4
80.02711	1.4
81.03448	1.9
83.01413	1.2
83.05038	7.0
83.05530	0.4
84.01763	0.4
84.02206	1.6
85.02958	3.4
87.00889	0.7
89.02461	2.3
93.03457	2.2
95.01440	0.6
95.05074	1.0
96.96022	5.3
98.20670	0.9
98.95587	0.4
101.02468	2.4
103.00396	0.3
108.02184	2.3
109.02978	2.6
109.06632	0.4
111.00900	0.7
111.04444	0.3
113.02457	2.3
116.92891	0.7
119.03545	0.6
119.05059	0.8
121.02921	0.8
123.00915	0.6
125.02486	0.6
125.06113	0.7
128.03586	0.5
133.02988	0.9
134.03757	1.6
135.04550	1.8
135.08167	1.1
136.01672	0.9
137.02464	2.3
147.04492	0.4
149.02477	0.7
151.04013	0.4
152.01152	2.9
153.01959	1.5
160.01653	2.4
161.02490	1.0
161.04538	1.2
162.03220	0.6
163.03967	0.9
163.11302	4.1
164.04861	0.6
165.05594	0.6
165.12830	2.7
165.70850	0.3
166.02742	0.6
166.13249	0.4
171.10316	0.5
173.04619	1.4
175.04002	2.2
177.01962	0.7
177.05537	1.3
179.03476	1.4
181.05121	0.6
181.12299	0.6
183.13913	1.3
190.02774	1.0
191.05650	2.7
191.10800	1.3
193.05115	1.6
195.13921	1.1
205.05159	0.7
209.11855	100.0
210.12206	6.8
213.14983	11.9
215.03343	0.4
227.12915	50.6
228.13272	2.8
253.09320	4.9
259.15466	3.7
287.09213	0.4
290.13641	0.3
315.07214	1.3
339.07425	1.0
383.06305	0.9
403.17844	0.7
463.25751	0.5
487.31418	0.4
511.36349	1.0
529.07324	0.4
649.37885	1.1
667.38013	0.7
673.42511	0.7
700.48688	0.4
709.19830	0.7
709.29865	1.6
710.30206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43909	0.5
57.03450	1.3
59.01387	11.0
61.98833	1.8
71.01389	5.6
71.40334	1.1
73.02934	0.9
78.95912	1.9
83.01395	0.6
83.05040	0.7
85.02969	1.1
85.57568	0.6
87.00874	1.0
89.02464	4.8
95.01368	0.6
95.05027	0.6
97.06587	3.0
99.64262	0.5
101.02444	4.3
103.90423	0.6
113.02462	2.0
119.03477	0.7
123.08221	0.7
149.25688	0.7
151.11295	13.4
152.99615	2.2
161.04523	1.6
169.12354	100.0
170.12685	5.9
179.05568	1.3
195.10272	2.6
201.11293	1.7
209.11905	1.6
213.11343	14.2
214.11542	1.1
235.08252	1.6
253.09300	3.5
277.21738	30.3
278.22089	2.7
279.23331	0.8
293.24823	0.8
355.99435	0.6
431.19330	3.1
449.20227	10.3
473.18091	1.7
609.90033	0.7
709.41693	97.3
710.42029	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	709.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03448	2.2
59.01149	0.5
59.01391	6.8
61.98838	48.0
68.41467	0.5
69.89637	1.4
69.90032	1.0
71.01395	4.4
72.20809	0.4
72.26971	0.5
73.02966	1.4
78.95928	2.7
80.15590	0.5
80.18710	0.5
83.01394	0.7
83.05028	1.6
85.02949	1.4
87.00885	1.7
89.02459	2.1
93.22119	0.5
95.01437	0.5
95.05039	1.4
97.06604	6.5
97.42438	0.5
98.19916	0.6
101.02456	3.8
112.95681	0.5
113.02469	2.0
118.57467	0.5
119.03593	0.9
125.09769	0.9
130.19989	0.5
145.05107	0.7
151.11304	17.9
152.11620	1.2
152.99625	2.7
161.04585	0.9
169.12364	51.7
170.12653	2.0
195.10275	4.0
201.11316	2.6
209.11797	2.1
213.11333	7.8
235.08249	1.6
253.09270	4.3
257.27368	0.6
277.21747	60.5
278.22086	6.2
279.22748	1.0
431.19281	2.2
449.20349	2.9
473.18219	2.7
709.41718	100.0
710.42078	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	711.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45118	1.0
57.03440	2.9
59.01388	50.1
61.98829	3.2
67.01882	1.2
69.03456	1.7
69.52602	1.0
71.01392	22.5
71.56930	1.6
72.13009	1.1
72.99301	1.3
73.02959	11.4
81.03451	2.9
81.89379	1.1
83.01406	11.3
85.02957	14.4
87.00891	2.3
89.02448	8.3
89.62122	0.9
92.91040	1.1
93.03445	6.4
93.37678	1.0
95.01385	4.1
96.96011	8.4
97.02962	3.0
98.95596	1.3
99.00912	1.7
101.01876	1.5
101.02463	15.8
107.01403	1.4
108.02187	92.1
109.02985	41.3
110.03278	1.2
111.00888	3.6
113.02473	9.8
115.00330	1.2
119.03524	2.0
119.05008	1.4
121.02979	3.7
123.00865	3.0
123.04524	3.2
125.02479	7.3
133.03009	1.5
134.03735	4.3
135.00859	1.8
135.04543	5.9
137.02467	4.9
137.06175	1.3
143.03479	2.2
147.04671	1.0
149.02518	2.4
149.04605	2.1
149.06093	1.4
151.03970	3.1
152.01169	100.0
153.01974	41.7
154.02257	1.2
155.03656	1.0
158.55521	1.0
161.02405	3.1
161.04610	9.0
161.05804	1.9
163.04008	3.8
165.01942	3.8
165.05603	1.6
173.00940	1.6
173.04549	4.4
173.05978	1.7
175.00395	1.4
179.03477	4.8
179.05647	2.5
180.04308	1.5
190.02734	4.4
191.02019	1.4
191.05606	4.4
191.07080	2.3
193.05040	2.8
195.06635	2.2
203.03474	0.9
205.05040	4.1
207.06612	1.0
209.03004	1.3
216.04227	2.3
217.05037	3.8
221.06758	1.2
223.06175	1.9
225.03963	1.3
227.07115	3.3
239.33234	1.1
255.10233	3.9
297.06244	1.4
315.07254	91.2
316.07562	5.7
339.08670	2.2
341.10657	5.5
357.08258	19.4
358.08438	1.8
367.10336	3.1
369.13412	1.8
397.11398	10.9
398.11810	1.5
399.09366	23.8
400.09525	2.1
423.09390	12.8
441.10419	1.6
459.11459	2.7
693.20123	1.6
711.21436	93.2
712.21576	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55277	0.5
51.98402	0.5
55.01885	1.1
59.01385	100.0
60.01713	1.2
69.96692	2.2
71.01395	8.6
73.02952	3.5
83.01414	1.5
85.02953	4.8
89.02445	0.9
95.01390	0.7
99.00947	1.6
101.02466	6.6
113.02464	3.6
131.07469	0.7
148.40909	0.6
159.03040	1.3
161.04555	3.7
197.91026	0.6
269.10324	10.6
270.10971	0.7
311.11356	3.8
349.28806	0.6
394.54410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01388	8.3
67.01880	4.6
69.03477	2.6
71.01402	22.2
71.56284	2.8
72.99310	5.2
73.02957	6.6
75.00871	1.7
81.03451	4.8
83.01375	9.3
85.02963	14.6
87.00397	2.8
87.00890	35.7
89.02445	3.5
91.01881	4.3
93.03454	5.1
95.01391	5.4
96.96024	30.3
97.02950	2.9
99.00899	4.9
101.02472	12.7
107.01376	5.7
108.02180	16.9
109.02986	8.5
111.00893	31.6
111.04503	1.6
112.98813	1.9
113.02461	6.2
120.01255	3.1
121.02959	3.3
123.00067	1.7
123.00888	10.4
123.04542	27.8
124.01611	2.2
125.02452	2.4
129.01949	2.1
131.03534	1.8
134.03719	3.2
135.04550	7.7
137.02487	4.2
138.03238	11.1
145.03004	1.8
147.03014	2.7
149.02448	4.1
150.03250	2.0
151.00368	13.8
151.04022	3.3
152.01172	29.0
153.01970	16.2
153.05588	12.6
161.02486	10.6
161.04619	2.0
163.04004	4.6
164.04869	8.7
166.02736	12.3
167.03511	76.3
173.04579	4.0
175.04031	2.7
176.04811	9.0
177.01974	4.3
177.40056	1.6
178.02763	2.7
179.03520	18.1
179.07085	9.4
180.03975	2.6
181.05063	9.9
182.02286	2.2
190.02660	2.7
191.01974	4.1
191.03549	7.7
191.05597	13.7
191.07178	5.6
192.04350	3.4
192.05954	1.9
193.05038	3.8
193.08766	2.4
194.05890	16.7
195.03069	2.1
195.06712	2.3
197.04616	5.1
203.03444	1.5
205.05124	5.2
206.05855	3.8
207.06665	2.3
207.87700	1.8
209.02913	2.6
209.04680	2.7
209.08218	22.6
219.02937	7.1
219.06668	2.8
220.03722	2.0
221.04613	2.6
221.08134	3.4
223.06125	4.4
231.03030	3.1
232.03860	2.7
233.04536	2.1
234.05299	10.6
235.06180	3.3
237.07700	3.8
246.05408	2.8
247.06136	4.7
249.04016	4.4
249.07698	12.2
250.04675	3.2
261.07666	2.7
264.06473	5.2
265.07135	9.8
279.08844	2.4
291.08798	3.9
296.05441	8.4
297.06155	11.7
303.08737	2.4
311.07761	54.5
312.08063	3.5
337.09351	2.2
357.68338	1.7
371.09995	2.6
484.32098	1.6
493.13406	3.1
509.13101	12.1
511.98203	1.8
518.80457	1.8
521.16998	4.1
533.16876	3.2
535.14563	3.8
547.14795	2.4
549.16241	3.9
551.17908	2.3
561.16095	11.8
562.16388	1.8
565.15234	1.9
577.15649	20.2
578.16119	3.2
579.17761	1.8
603.17114	5.4
615.16693	2.5
637.17731	7.7
649.17877	6.4
669.20551	7.5
695.18384	55.8
696.18445	12.9
713.19440	100.0
714.19781	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	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21405	0.9
59.01391	0.8
69.41705	5.9
71.01369	0.9
77.56030	0.8
77.56433	0.8
80.06738	0.7
81.23845	0.7
114.25880	0.8
114.53043	0.7
118.53159	0.7
151.79503	0.7
175.47832	0.8
331.06580	0.8
375.72009	0.9
677.49670	3.9
713.47400	100.0
714.47809	26.6
715.49268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.7
57.03444	0.9
59.01384	7.4
60.91511	0.6
61.98838	10.6
64.16124	0.7
68.14010	0.6
69.03460	2.0
71.01395	8.5
72.01679	0.7
72.99310	1.1
73.02950	2.8
79.63125	0.8
79.95684	0.6
81.03436	0.7
82.95387	0.9
83.01427	1.2
84.88174	0.6
85.02959	8.2
87.00893	1.4
88.98824	0.8
89.02437	2.8
89.83321	0.6
93.03458	4.9
93.05234	0.6
95.01381	2.5
96.96002	6.5
97.02957	0.8
98.20653	1.8
99.00894	1.0
101.02454	3.8
108.02184	65.3
109.02982	26.8
111.00898	1.4
113.02456	2.9
119.03507	1.1
119.05021	1.7
121.02969	4.5
122.03738	0.7
123.00899	2.2
123.04539	1.9
125.02440	2.3
129.01982	0.7
132.02179	0.7
133.02992	3.2
134.03760	1.5
135.00916	4.2
135.04510	2.2
137.02461	4.6
145.02989	1.1
148.05333	0.7
149.02390	0.8
149.06085	2.4
150.03186	0.7
150.06883	13.7
151.04085	3.2
152.01169	70.0
153.01959	33.8
154.02318	1.2
161.02382	1.1
161.04451	0.8
162.03287	0.6
162.06886	1.9
163.04025	4.4
163.07639	3.5
164.04755	1.0
164.08397	2.3
165.01933	3.5
165.05664	0.8
167.03485	0.8
173.04503	3.8
175.04016	1.7
176.01175	2.1
177.01947	31.4
177.09212	2.1
178.02257	1.1
179.03456	1.4
179.10785	8.5
181.05148	0.8
189.01939	0.9
190.02664	0.8
191.03571	0.8
191.05618	3.3
193.05070	1.5
195.06677	1.1
205.05014	2.1
223.06073	1.5
229.20868	0.7
251.78688	0.8
265.07254	0.9
281.07172	0.8
281.10492	0.8
290.82504	0.8
315.07242	100.0
316.07626	6.0
339.07224	49.6
340.07489	4.3
357.08133	0.8
383.06223	47.9
384.06625	4.9
389.15921	1.4
401.07272	11.1
402.07611	1.4
437.17447	0.7
493.35315	4.2
496.34213	1.0
510.35886	3.5
511.36462	17.1
512.36884	1.4
553.37567	2.2
655.40613	3.4
715.24927	8.0
715.39117	2.8
716.24835	1.9
749.70361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74428	0.4
58.00596	0.6
59.01387	100.0
60.01723	1.3
61.98844	0.5
62.38809	0.5
63.08920	0.4
69.03474	0.8
69.19781	0.4
69.28952	4.8
71.01389	22.1
72.99319	0.7
73.02955	17.6
83.01398	6.0
85.02953	4.2
87.00900	1.0
89.02457	12.3
93.03457	1.1
95.01424	1.4
96.96038	1.9
98.20756	0.5
99.92589	0.9
101.02462	22.8
108.02222	0.6
109.03011	0.9
111.00949	0.8
113.02462	10.4
116.92875	5.2
119.03521	4.5
121.02972	0.9
125.02467	1.3
131.03574	2.1
132.04568	0.9
134.03787	0.8
135.04605	1.1
137.02477	1.0
143.03525	2.7
149.04546	4.9
155.03566	1.2
161.04588	9.5
161.88969	0.6
173.04581	1.5
179.03525	1.0
179.05637	2.5
191.05682	1.7
193.05099	0.6
203.05748	1.7
221.06682	4.3
222.06912	0.6
247.11909	1.3
249.13454	3.4
276.23825	0.7
289.12891	2.4
307.14102	0.8
339.06784	0.5
381.17722	2.6
381.64636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96737	2.5
54.94650	2.7
57.03447	4.6
59.01382	100.0
61.98833	36.3
63.64067	2.7
68.70251	2.8
71.01383	62.7
72.99290	3.8
73.02687	2.0
73.02958	20.4
79.95771	3.3
83.01396	5.7
85.02959	21.7
87.00879	3.9
89.02450	34.4
95.01390	6.5
96.96017	62.2
101.02469	34.1
107.66906	2.8
113.02464	35.9
119.03481	18.7
119.04995	6.1
125.02401	3.4
131.03471	4.5
135.04456	3.1
137.02467	3.4
143.03467	6.2
149.04709	2.6
161.04520	8.8
163.03995	4.6
171.10263	3.1
173.04506	6.9
177.05583	3.1
179.05602	10.2
183.13889	3.3
191.05579	5.3
205.05124	3.1
213.14932	17.7
260.94174	2.7
282.15109	2.8
383.13644	2.8
385.70837	2.8
479.60092	3.6
611.34381	28.7
612.34613	8.7
629.35352	36.7
630.35687	7.6
744.47998	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	715.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23335	3.3
55.01867	4.5
56.06606	2.9
57.03436	4.1
58.00602	2.7
59.00189	3.8
59.01387	100.0
61.98534	3.2
61.98840	38.4
69.20433	6.5
69.20840	25.3
70.79491	2.8
71.01395	64.2
72.99308	6.2
73.02943	15.0
78.95910	11.8
80.56419	2.9
81.56236	3.0
83.01394	6.3
85.02961	32.0
87.00897	7.1
89.02444	21.4
93.03439	5.1
95.01379	6.7
96.96026	22.5
97.02980	4.0
99.00892	4.1
101.02475	29.5
111.00897	5.7
113.02455	27.2
119.03482	9.2
119.05018	6.6
124.01651	4.0
125.02464	3.6
135.04523	7.4
137.02477	4.8
138.31561	3.6
143.03490	5.5
161.04544	8.4
163.04056	4.0
167.21808	3.6
171.10265	6.0
173.04558	3.7
174.08072	3.2
191.05630	5.3
199.21773	3.1
205.05110	3.5
211.13431	5.3
266.68976	3.3
397.80521	3.5
467.30463	7.0
487.62363	3.3
611.34320	85.5
612.34833	16.6
629.25079	4.2
629.35370	73.6
630.35693	13.4
648.35547	4.2
671.37354	6.0
715.35785	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	715.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.5
61.98819	8.0
65.94500	3.2
71.01382	11.6
78.95911	5.8
89.02460	12.5
97.02937	4.1
101.02435	9.1
113.02445	5.1
125.02443	7.0
131.29471	3.2
173.04649	3.6
179.05710	3.7
191.05595	4.7
235.08270	5.5
281.24826	51.1
282.25339	3.6
397.13547	100.0
398.13861	12.1
415.14719	29.0
416.16391	4.5
525.07153	3.7
541.87482	3.6
679.38672	9.8
715.36707	48.5
716.37231	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	715.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18486	1.4
59.01370	5.0
61.98851	3.9
69.03466	2.8
70.00511	3.8
70.00901	3.5
71.01386	3.6
79.77116	1.4
87.00858	1.6
89.02454	1.5
101.02433	2.3
125.09708	2.1
151.11322	3.2
161.09717	4.4
179.10783	6.7
187.95685	1.6
197.11845	35.8
198.12080	2.3
241.10759	2.1
255.23311	72.9
256.23703	5.6
294.10397	1.5
320.30035	1.6
657.91565	1.7
715.42804	100.0
716.42908	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	716.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15870	0.1
59.01386	0.9
61.98837	100.0
62.98538	0.2
70.69898	0.4
70.70245	0.2
71.01397	0.6
75.66927	0.2
78.95921	0.2
85.02950	0.3
89.02452	0.4
93.03466	0.2
101.02474	0.3
113.02508	0.2
116.19646	0.1
122.01334	0.2
140.61569	0.2
173.04607	0.2
179.05740	0.2
191.05653	0.3
192.91827	0.2
255.23444	0.5
256.23700	0.5
397.13776	0.3
398.13840	0.4
399.14246	0.7
400.14456	0.4
417.08340	0.2
417.15384	0.4
418.15732	0.2
577.26636	0.2
712.82617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
61.98834	5.3
69.63831	3.0
69.64237	1.5
71.01383	6.6
72.99331	1.1
73.02936	1.3
80.48519	0.9
83.01394	0.9
85.02954	3.5
87.00861	1.5
89.02456	2.8
92.87289	0.8
93.03467	12.5
95.90137	0.8
96.95444	1.3
96.96028	11.1
98.20628	1.4
101.02460	3.4
108.02171	5.6
109.03009	4.2
110.03316	0.9
111.04562	1.0
113.02466	1.8
119.05054	3.8
121.02954	2.2
123.04519	0.8
125.02393	0.8
129.01871	1.0
133.02945	0.9
134.03799	1.7
135.04530	3.6
136.01671	1.8
137.02460	23.0
138.82375	0.8
147.04515	1.1
149.02443	1.6
150.03210	3.1
151.04044	2.5
152.01158	7.5
153.01929	3.5
154.09438	0.8
156.33337	0.9
160.01628	1.1
161.02477	9.2
161.04553	1.6
163.04039	3.1
164.01286	0.9
164.04782	1.5
165.01949	61.9
165.05603	2.9
166.02420	3.0
167.03499	1.5
173.04562	3.7
174.52917	0.9
175.04018	2.3
176.04778	1.7
177.01941	1.5
177.05576	1.0
179.03522	18.7
180.04294	40.3
181.04788	2.5
187.03986	1.0
190.02710	1.9
191.03619	1.4
191.05624	4.6
191.07167	1.1
193.05002	1.6
194.05888	7.3
195.03012	1.9
195.06642	49.4
196.06976	2.4
203.03464	2.1
205.05089	2.3
209.04822	0.9
209.08273	4.8
210.05336	8.2
223.06082	1.3
225.07692	35.1
226.02673	1.9
226.08011	1.5
227.03487	6.1
241.75494	0.8
243.03004	2.4
270.01700	3.4
271.02469	14.3
281.06671	11.0
285.04010	8.1
286.04355	1.6
299.01987	35.5
300.02496	2.1
311.05768	1.1
313.03616	13.5
313.07053	0.8
314.04333	40.7
315.04422	3.9
316.07266	0.9
328.05780	3.3
329.06674	100.0
330.07001	8.5
339.07245	0.9
348.62988	0.9
371.07651	1.4
461.07074	3.5
472.11420	0.8
476.09607	2.8
485.10162	0.8
491.11975	13.8
492.12161	1.7
507.15021	21.1
508.14911	3.4
537.14423	1.3
555.15112	59.4
556.15387	11.4
580.72076	0.9
589.77112	0.9
681.36761	6.5
717.20850	6.8
717.31354	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	717.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95323	0.6
57.03455	1.9
59.01384	5.3
67.01890	3.5
69.43874	5.7
71.01402	5.5
73.02956	1.8
78.39809	0.8
81.03471	1.2
83.01383	1.1
83.05039	1.1
85.02960	10.0
86.22584	0.8
87.00894	1.9
89.02464	1.4
93.03473	25.6
94.03842	1.0
96.96013	1.6
99.04527	0.9
101.02467	1.8
107.05022	0.9
109.02971	2.1
111.00903	0.9
111.04534	4.0
113.02463	1.2
121.03027	0.7
126.45044	0.9
127.04050	1.5
129.01884	0.8
133.02994	1.2
134.03764	3.0
135.04543	65.7
136.04863	2.8
137.02466	6.4
155.03519	5.6
161.02477	3.4
162.67934	0.9
165.02013	1.4
171.03223	0.7
173.04564	100.0
174.04929	4.0
178.05144	1.1
179.03516	63.1
180.03883	3.0
182.61180	0.8
191.05635	66.0
192.05977	2.3
195.06689	1.6
213.37813	0.7
282.48804	0.8
312.90497	0.9
336.02838	0.9
351.05212	2.9
353.08795	81.5
354.09122	9.5
521.15863	0.8
590.95264	0.9
647.87921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39647	1.0
55.01857	1.1
59.01374	8.4
61.98840	3.0
64.20680	0.8
69.03478	1.0
69.36726	4.3
69.37158	3.1
71.01386	13.9
73.02940	1.9
77.13358	1.0
83.01402	2.4
85.02972	6.4
87.00871	1.7
88.98820	0.9
89.02442	2.6
93.03472	50.0
94.03811	2.1
95.01400	2.8
96.96020	6.8
96.99297	1.3
98.19959	2.2
101.02451	8.7
101.06047	0.9
104.68269	0.9
107.05052	1.0
108.02191	9.0
109.03003	4.6
111.00933	1.1
113.02481	5.9
116.47404	0.8
119.03556	1.0
119.05037	1.7
121.02961	4.0
123.00907	2.1
124.01726	1.1
125.02500	1.4
134.03726	2.1
135.04521	4.2
136.01698	3.4
137.02466	79.5
138.02841	2.8
139.04018	3.3
145.02982	1.4
147.04535	7.5
149.02467	2.5
149.06100	2.0
150.03293	1.1
151.00381	20.5
151.04033	2.9
152.01184	9.0
153.02022	3.0
153.05547	1.7
160.01663	3.0
161.02460	2.9
161.04605	1.1
161.06065	1.4
162.03291	0.8
163.04082	2.1
164.04744	1.2
165.01947	2.6
165.05598	1.2
166.02734	51.6
167.03415	4.5
173.02451	1.5
173.04588	2.1
174.03250	2.8
175.04030	31.5
176.04636	2.5
177.05606	3.8
178.02693	1.1
179.03537	4.1
180.04291	1.3
181.05099	55.8
182.05423	2.1
189.05646	4.8
190.02771	2.4
190.06386	21.5
191.03494	2.3
191.05634	3.4
191.07176	2.0
193.05106	2.8
194.05775	1.3
195.06711	1.3
197.04546	1.6
205.05075	1.3
205.08690	8.0
207.06647	2.4
208.07291	2.3
209.04752	0.9
221.04633	2.6
223.09822	1.4
239.05707	1.8
245.09720	0.8
270.01782	1.8
281.06705	100.0
282.07022	6.4
285.04083	3.7
297.04105	3.6
298.04913	1.8
311.07858	2.1
312.06451	3.8
313.03821	5.2
313.06961	1.4
327.08804	6.9
328.05930	11.8
328.09625	2.9
329.06656	2.0
341.08572	1.8
342.11154	7.9
343.11853	4.9
346.59811	0.8
357.13400	7.3
358.13806	1.0
361.13290	0.9
367.10031	1.7
375.14706	1.9
391.14047	18.7
392.14386	1.6
405.15842	2.5
421.14987	1.3
463.12531	47.3
464.12823	4.5
490.11063	1.5
491.12241	1.3
575.17865	2.1
687.23083	27.1
688.23853	5.4
699.22284	1.1
717.23724	33.8
718.23596	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	717.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39647	1.0
55.01857	1.1
59.01374	8.4
61.98840	3.0
64.20680	0.8
69.03478	1.0
69.36726	4.3
69.37158	3.1
71.01386	13.9
73.02940	1.9
77.13358	1.0
83.01402	2.4
85.02972	6.4
87.00871	1.7
88.98820	0.9
89.02442	2.6
93.03472	50.0
94.03811	2.1
95.01400	2.8
96.96020	6.8
96.99297	1.3
98.19959	2.2
101.02451	8.7
101.06047	0.9
104.68269	0.9
107.05052	1.0
108.02191	9.0
109.03003	4.6
111.00933	1.1
113.02481	5.9
116.47404	0.8
119.03556	1.0
119.05037	1.7
121.02961	4.0
123.00907	2.1
124.01726	1.1
125.02500	1.4
134.03726	2.1
135.04521	4.2
136.01698	3.4
137.02466	79.5
138.02841	2.8
139.04018	3.3
145.02982	1.4
147.04535	7.5
149.02467	2.5
149.06100	2.0
150.03293	1.1
151.00381	20.5
151.04033	2.9
152.01184	9.0
153.02022	3.0
153.05547	1.7
160.01663	3.0
161.02460	2.9
161.04605	1.1
161.06065	1.4
162.03291	0.8
163.04082	2.1
164.04744	1.2
165.01947	2.6
165.05598	1.2
166.02734	51.6
167.03415	4.5
173.02451	1.5
173.04588	2.1
174.03250	2.8
175.04030	31.5
176.04636	2.5
177.05606	3.8
178.02693	1.1
179.03537	4.1
180.04291	1.3
181.05099	55.8
182.05423	2.1
189.05646	4.8
190.02771	2.4
190.06386	21.5
191.03494	2.3
191.05634	3.4
191.07176	2.0
193.05106	2.8
194.05775	1.3
195.06711	1.3
197.04546	1.6
205.05075	1.3
205.08690	8.0
207.06647	2.4
208.07291	2.3
209.04752	0.9
221.04633	2.6
223.09822	1.4
239.05707	1.8
245.09720	0.8
270.01782	1.8
281.06705	100.0
282.07022	6.4
285.04083	3.7
297.04105	3.6
298.04913	1.8
311.07858	2.1
312.06451	3.8
313.03821	5.2
313.06961	1.4
327.08804	6.9
328.05930	11.8
328.09625	2.9
329.06656	2.0
341.08572	1.8
342.11154	7.9
343.11853	4.9
346.59811	0.8
357.13400	7.3
358.13806	1.0
361.13290	0.9
367.10031	1.7
375.14706	1.9
391.14047	18.7
392.14386	1.6
405.15842	2.5
421.14987	1.3
463.12531	47.3
464.12823	4.5
490.11063	1.5
491.12241	1.3
575.17865	2.1
687.23083	27.1
688.23853	5.4
699.22284	1.1
717.23724	33.8
718.23596	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	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38033	0.1
57.03451	0.2
59.01389	1.3
59.05016	0.1
61.98836	2.7
65.03960	0.6
65.29307	0.2
71.01389	1.5
71.55968	0.2
72.99319	0.2
73.02956	0.4
83.01424	0.3
85.02961	1.1
87.00883	0.3
88.98820	0.3
89.02456	0.5
93.03469	45.6
94.03800	1.5
95.01379	0.2
96.96032	1.0
101.02430	0.5
107.05029	0.2
113.02448	0.9
116.92809	0.2
117.03487	0.6
119.03535	0.3
119.05056	0.3
121.02980	0.7
123.00920	0.2
124.01661	0.4
125.02457	0.4
131.05099	0.3
133.03017	0.3
134.03775	0.3
135.04550	0.6
137.02461	100.0
138.02786	3.7
139.04022	0.4
143.05118	0.2
145.02966	0.2
147.04523	0.2
149.02516	0.3
150.03235	0.2
151.00346	0.9
151.04103	0.2
152.01169	0.3
153.01984	0.3
155.03464	0.2
160.01666	0.2
161.02477	1.7
161.04565	0.2
163.04031	0.5
165.01964	0.4
166.02715	2.7
167.03488	0.2
173.04619	0.6
174.03191	0.2
175.04097	0.4
176.04913	0.2
177.05557	0.3
179.03506	0.4
180.04259	0.2
181.05135	1.7
189.05591	0.2
190.02782	0.2
191.05624	0.5
191.07231	0.3
192.06084	0.2
193.05042	0.2
195.06615	0.3
205.05070	0.5
223.06078	0.2
225.07785	0.3
269.04645	0.4
271.02609	0.2
281.06689	8.5
282.07129	0.6
285.04117	0.2
297.04056	0.6
299.01993	0.4
312.06458	0.9
314.04309	0.6
316.07822	0.2
327.08728	1.6
329.06677	1.5
342.11105	1.5
343.11478	0.2
357.13467	2.2
358.13812	0.2
375.14545	0.4
405.15649	1.0
417.15784	0.3
421.18396	0.2
555.15857	0.3
681.36829	0.8
717.22314	0.3
717.37085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.2
61.98834	14.9
63.55795	0.9
70.10983	4.3
71.01398	1.3
78.95928	1.6
89.02495	1.2
101.02439	1.0
152.79489	0.9
191.05687	0.9
281.24954	3.1
335.68915	0.9
397.13486	3.7
415.14267	1.2
440.50702	1.0
453.11795	1.8
459.16702	1.8
481.11472	2.9
495.13474	1.4
495.16006	1.3
496.13873	12.7
497.14182	9.1
498.15311	1.6
510.15518	2.9
511.16254	8.6
512.16772	3.7
513.17798	4.2
514.18134	1.1
539.18860	3.9
544.16223	6.5
545.16644	1.7
553.26788	1.3
567.18707	11.8
568.19287	2.6
570.17590	2.5
571.18475	12.6
572.18463	2.3
581.19623	1.2
589.19379	1.3
597.20184	2.6
598.20435	3.7
599.21503	31.4
600.21906	10.0
602.16425	3.5
603.16571	1.3
630.19824	1.7
631.20642	2.0
643.20642	1.8
657.22040	16.2
658.22394	6.0
717.24255	76.5
717.36023	3.7
718.24420	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	719.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
62.85791	0.8
67.01904	1.9
69.59434	5.5
71.01389	3.2
72.28358	0.8
73.02953	0.8
83.05059	1.3
85.02962	13.8
87.00861	3.9
89.02447	1.0
93.03471	18.1
96.96017	3.1
98.19968	1.7
105.03462	2.2
108.02161	1.7
109.02970	3.1
111.00892	1.3
111.04539	4.1
117.62167	0.9
121.02979	1.0
123.04556	1.6
127.04012	3.9
129.01903	0.8
129.41431	0.7
133.02968	11.0
134.03754	4.4
134.79703	0.8
135.04472	1.1
137.02451	2.4
146.03748	2.6
147.04527	1.0
151.03973	1.0
155.03494	3.5
159.03339	1.3
159.04533	8.5
173.04567	28.3
177.01938	6.3
185.02486	0.8
191.05630	100.0
192.05923	3.5
193.05093	4.5
203.03542	4.1
229.01392	2.1
237.05508	2.4
238.06197	2.1
248.04749	1.5
249.05554	2.2
250.06403	1.3
251.07079	1.2
263.03577	1.0
264.04370	4.1
265.04858	4.6
266.05820	13.0
267.06583	5.0
268.07437	10.3
276.04361	2.8
277.05066	3.5
281.08270	2.8
283.09781	20.2
284.10120	1.6
292.03760	2.6
293.04575	17.5
294.05334	13.4
295.05853	1.4
309.04291	1.7
309.07742	23.1
310.08133	2.5
312.06201	1.1
327.08731	14.1
328.08896	1.4
335.01935	1.5
335.05618	15.1
336.06137	1.1
338.04413	1.8
339.04880	1.0
351.07202	3.6
353.06680	56.5
354.06995	5.7
357.27625	0.9
367.10382	1.7
439.13687	2.0
459.25040	0.9
483.13153	5.3
501.14075	7.3
527.12030	41.2
528.12372	7.1
545.13580	5.5
719.18378	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	719.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75685	2.2
58.03313	2.4
59.01383	5.4
68.00871	1.8
71.01395	7.1
71.38244	2.2
71.38569	2.3
74.03725	2.0
89.02453	10.2
101.02430	3.5
113.02486	2.6
119.03536	3.3
142.68402	1.7
168.72826	2.1
179.05627	2.0
215.03261	4.3
289.72809	2.3
341.10840	24.8
377.08554	100.0
378.08939	7.8
669.43341	2.2
709.21246	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	719.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64614	0.7
57.03450	0.9
59.01382	6.0
59.45509	0.8
61.98590	0.7
61.98837	8.5
69.03452	3.3
71.01126	0.6
71.01390	6.1
71.05020	1.9
80.02667	1.4
81.03465	1.3
83.05042	4.8
85.02967	1.5
87.00884	1.1
89.02460	4.3
93.03455	1.3
94.55305	0.8
96.96003	2.6
101.02459	4.7
111.00871	2.7
113.02424	2.1
123.08172	1.3
125.09715	2.8
126.34164	0.7
151.11287	2.4
153.12788	0.9
161.04543	2.0
161.09671	3.0
163.11357	3.8
165.12819	2.0
173.00972	1.3
179.10803	7.7
197.11842	79.3
198.12195	6.3
207.10115	1.0
209.11838	48.7
210.12146	3.8
210.37503	0.7
223.09789	0.9
225.00677	0.9
227.12854	3.1
241.10860	3.8
253.09297	3.5
273.35425	0.8
371.23215	0.8
438.43787	0.8
445.92087	0.8
477.19934	2.0
560.29346	0.9
687.32330	100.0
688.32635	21.6
719.35107	26.0
720.35608	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	719.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16128	1.5
55.01870	2.0
57.03464	1.6
59.01390	19.1
59.09921	1.6
61.98534	2.9
61.98837	44.2
69.03465	2.6
70.68039	1.9
70.68371	3.5
71.01390	17.9
72.99303	1.8
73.02949	3.7
75.00869	2.6
78.95949	2.0
80.02696	2.3
81.03453	2.4
83.01382	3.2
83.04568	1.6
83.05013	8.1
84.02171	2.4
85.02953	9.5
87.00879	3.9
88.98827	1.7
89.02462	9.2
93.03456	4.5
94.91770	1.6
95.01401	2.8
96.96030	14.0
97.02988	2.1
97.06639	2.1
99.00858	2.4
99.04566	2.3
101.02460	10.4
108.02158	3.8
109.03004	2.0
109.89256	1.7
110.71091	1.6
113.02460	5.3
119.03537	3.5
119.05021	6.1
120.78603	1.7
121.02944	4.1
125.02491	2.2
126.37137	1.5
130.42543	1.5
135.04514	3.1
137.02449	5.7
143.03496	2.4
145.02940	3.9
151.11348	2.0
153.01869	2.6
153.12849	2.3
161.04572	3.0
163.04001	6.9
163.11327	7.0
165.05573	1.7
165.12831	3.1
169.12363	40.6
171.10306	2.3
173.04555	2.6
179.10898	1.6
182.93050	2.0
189.61531	1.5
190.02628	1.7
191.03981	1.7
191.05634	3.6
197.11842	73.5
198.12126	3.6
209.11842	100.0
210.12173	6.0
223.09702	1.7
227.12912	9.4
232.41284	1.6
237.83202	1.6
246.78381	1.7
247.84521	1.6
253.09410	7.8
315.07361	3.1
499.90732	1.7
669.30420	1.8
683.36469	1.7
687.32324	80.6
688.32947	15.5
719.35114	69.4
720.35236	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	719.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79359	1.2
57.03450	1.8
59.01388	16.0
59.55664	1.2
61.98838	43.7
67.06293	1.2
69.03469	1.7
71.01395	13.5
72.99307	2.0
73.02967	2.1
75.00901	1.3
79.07970	1.2
79.95779	1.1
81.03452	2.7
83.01385	2.9
83.05037	6.6
84.02161	2.3
85.02978	6.1
87.00884	2.5
88.98802	2.2
89.02449	6.2
93.03460	2.5
95.01379	1.4
95.05051	1.7
95.92490	1.4
96.96023	10.8
98.20664	2.8
99.00932	1.8
101.02448	8.5
108.02182	1.8
109.02987	1.5
111.00888	1.4
113.02440	4.5
119.03513	3.0
121.02916	2.0
124.27966	1.2
125.02446	1.8
137.02487	2.3
143.03540	1.4
151.11275	1.6
153.12831	1.8
161.02451	1.8
161.04556	4.4
163.04002	2.1
163.11310	6.1
165.12796	2.3
169.12363	43.3
170.12685	1.5
173.04472	1.9
179.03513	1.6
179.05568	1.6
181.12399	1.8
191.05681	5.9
191.10875	1.7
193.35689	1.5
197.11855	60.5
198.12173	3.1
209.11855	100.0
210.12195	3.9
227.12878	8.3
253.09300	6.6
253.11633	1.2
329.06586	3.2
347.41940	1.3
355.69501	1.4
424.10120	1.3
555.03711	1.3
687.32367	54.3
688.32813	9.0
719.35046	88.5
720.35291	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	721.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
60.99329	0.3
61.98840	0.3
67.01895	0.7
69.03465	0.5
71.01389	2.2
71.56715	0.5
72.99303	0.4
73.02993	0.4
77.04338	0.3
81.03490	0.6
82.22019	0.3
83.01422	0.6
83.05035	1.2
85.02959	4.5
87.00468	0.3
87.00897	1.8
89.02499	0.6
93.03467	7.5
94.03809	0.6
96.96019	4.1
101.02470	0.6
107.05058	1.1
108.02211	0.3
109.02940	0.7
111.00895	1.0
111.04523	3.1
113.02437	0.5
117.03522	0.5
121.03002	0.5
125.02444	0.3
127.04033	1.3
129.01988	0.5
132.02220	0.4
133.02989	2.3
134.03767	4.3
135.04544	100.0
136.04878	4.1
136.32756	0.3
137.02467	1.9
139.00548	0.3
143.88907	0.3
149.02460	1.7
150.03278	0.7
151.04065	0.4
152.01221	0.3
153.01964	0.4
154.23326	0.3
155.03508	3.3
161.02461	6.3
163.04044	0.4
164.04823	1.9
165.05579	0.4
171.03120	0.4
173.04576	10.6
174.04909	1.1
175.00418	1.1
178.02678	0.5
179.03519	97.3
180.00810	0.3
180.03876	4.8
190.02734	4.2
191.05637	31.4
192.05956	1.6
193.04933	0.4
205.05052	5.2
209.04590	0.8
223.06146	2.7
297.09714	0.4
323.07870	0.7
335.07657	0.8
341.08685	2.5
353.09055	4.9
354.07846	0.4
355.07285	1.0
367.10342	7.4
368.10928	0.7
503.15613	6.6
504.15729	1.0
515.13843	0.8
529.13556	1.7
530.13855	0.4
547.14642	13.1
548.14642	1.7
606.09937	0.4
721.19794	19.3
722.20209	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	721.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11423	0.6
57.38101	0.7
59.01412	0.7
60.81865	0.8
64.00945	0.7
67.01891	1.5
68.20051	0.6
71.01381	1.7
71.31364	1.1
71.31709	1.4
73.98289	0.6
81.03484	1.0
85.02966	2.8
85.41224	0.7
87.00887	1.0
89.03979	1.1
93.03481	11.4
109.02922	1.1
111.04548	3.9
117.03478	7.4
127.04046	1.9
133.95053	0.7
134.03757	70.0
135.04565	23.2
136.04863	1.0
137.02417	2.3
142.35374	0.7
149.06113	5.2
155.03560	4.2
161.02487	1.0
173.04568	38.4
174.04880	1.8
179.03522	21.4
180.03859	1.6
191.05627	25.7
192.05974	1.1
193.05069	100.0
194.05418	5.1
345.57211	0.7
353.08798	22.9
354.08997	2.9
367.10376	45.4
368.10718	3.7
547.14380	1.0
612.82019	0.8
652.67883	0.8
721.20490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01386	3.1
63.96548	0.6
67.01880	1.5
69.03427	0.7
69.50797	4.8
71.01399	5.0
85.02957	8.9
87.00880	2.6
89.02444	1.3
93.03472	15.1
99.41573	0.6
101.02431	0.8
108.02209	1.3
108.99824	0.7
109.02975	3.9
111.00857	0.8
111.04519	2.5
113.02473	1.6
115.00368	4.4
119.05059	0.7
122.03741	4.0
124.01660	1.5
127.04010	2.6
133.02989	4.0
134.03775	3.3
135.04549	6.8
137.02431	2.2
146.08281	1.9
147.04564	2.2
148.05312	2.1
150.23593	0.6
155.03535	1.7
159.04587	0.7
161.02345	0.8
161.06065	2.5
163.04083	0.6
171.02933	1.3
173.04570	15.9
179.03516	5.3
180.52704	0.7
191.05627	100.0
192.05966	4.0
193.05029	2.7
241.05014	0.9
242.05890	5.0
255.06708	1.2
257.08206	6.5
269.08011	0.8
270.09088	3.4
285.11353	20.0
286.11713	1.7
289.05652	2.0
311.09381	1.0
329.09894	0.7
341.10956	2.2
352.77399	0.6
353.08740	2.8
355.08099	1.2
367.10239	1.3
373.09277	15.7
374.09692	1.5
379.08270	2.4
379.12512	1.5
379.16669	1.0
380.15656	2.6
443.55753	0.7
463.10767	1.2
499.54959	0.7
503.15909	0.9
529.13391	1.1
547.14691	12.1
548.14880	1.7
721.19861	20.4
722.20233	4.7
732.17804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
60.98636	0.6
69.44683	1.6
69.45086	2.9
71.01395	2.5
72.90714	0.5
75.66306	0.6
81.03487	0.9
81.91122	0.5
83.05014	0.8
85.02951	4.7
87.00884	1.4
93.03468	7.9
96.96025	4.3
98.90619	0.6
107.05054	1.4
109.02933	1.0
111.00900	1.5
111.04535	3.0
113.02502	0.8
118.14590	0.6
121.02985	0.8
127.04024	1.1
133.02977	3.2
134.03746	3.6
135.04539	100.0
136.04874	3.7
137.02473	1.5
149.02457	2.5
155.03531	2.7
161.02469	9.9
162.02774	0.6
164.04829	2.4
173.04579	8.3
174.04965	0.7
175.00366	1.4
176.00995	0.7
179.03519	69.8
180.03905	3.3
190.02754	5.7
191.03741	1.1
191.05617	32.3
192.05954	1.6
205.05046	9.9
208.03667	0.8
223.06197	3.4
251.49702	0.7
259.20218	0.7
264.08212	0.7
264.69824	0.6
265.72690	0.6
297.09772	0.8
323.07697	1.7
335.07864	1.4
341.08655	3.4
353.08881	4.4
367.10364	12.6
368.10550	1.3
410.05292	0.7
503.15610	13.0
504.16245	1.8
515.13788	2.2
529.13477	3.7
547.14532	12.4
548.14917	2.7
618.74884	0.7
721.19812	26.2
722.20245	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	721.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
58.00599	0.4
59.01382	4.8
67.01910	3.7
69.03471	0.6
70.89198	1.0
71.01402	4.0
81.03491	1.0
83.01398	0.5
83.05054	0.8
85.02972	3.5
87.00900	0.8
89.02457	0.6
91.19324	0.4
93.03471	25.0
94.03824	0.9
96.96030	3.1
99.04519	0.7
101.02518	0.5
102.28684	0.4
107.05041	0.7
108.02210	1.0
109.02981	1.6
111.00898	2.8
111.04547	4.8
113.02482	1.2
119.01366	0.5
121.03039	0.5
127.04028	0.6
127.38625	0.4
129.01976	0.5
133.02979	1.7
134.03773	3.2
135.04541	100.0
136.04887	3.8
137.02490	4.6
148.77841	0.4
149.02452	2.3
152.01176	0.9
153.01888	0.6
155.03520	5.5
161.02486	5.2
164.04817	1.7
173.04568	55.7
174.04865	2.7
175.00397	1.5
177.01952	0.9
179.03519	90.7
180.03879	4.4
183.50171	0.5
190.02769	4.0
191.05623	13.5
192.05923	0.7
205.05081	7.5
223.06166	1.9
246.59018	0.5
297.09738	0.7
323.07773	1.4
327.05298	0.7
335.07471	0.5
341.08841	4.0
353.08786	5.1
367.10327	13.8
368.10620	1.2
417.08136	1.1
467.16275	0.4
503.15704	11.8
504.16071	2.1
515.14026	1.3
529.13129	1.4
547.14618	18.2
547.23151	0.9
548.14886	2.2
721.19781	10.8
722.19946	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	721.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59935	0.5
57.03445	0.4
59.01381	1.9
60.96903	0.5
67.76399	0.5
71.01400	2.3
71.56742	0.7
73.02952	0.9
81.03477	0.7
81.50435	0.4
83.01364	0.5
85.02966	4.4
93.03468	2.7
95.01372	1.5
96.96030	1.1
99.00889	0.6
101.02431	0.8
108.02187	58.0
109.02990	16.8
111.04494	0.6
113.02476	0.8
121.02977	1.2
122.03818	0.6
123.00911	0.8
123.04523	0.7
126.64005	0.4
127.04028	0.6
133.02968	0.9
134.03743	2.1
135.04550	3.7
137.02467	0.7
151.04044	1.5
152.01169	48.9
153.01967	18.7
154.02295	1.2
163.03981	0.9
165.01952	1.7
173.04533	4.0
179.03513	1.8
179.75218	0.5
191.05635	15.9
192.06006	0.7
193.05069	3.8
225.03952	0.5
249.06180	0.8
257.08197	0.5
271.95621	0.5
285.11377	1.4
315.07251	100.0
316.07648	6.2
353.08774	2.5
367.13098	2.3
373.09464	1.9
547.14801	1.2
596.02820	0.5
721.20148	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	721.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01717	1.6
63.71889	1.0
65.56416	1.1
66.67601	1.0
67.01913	1.0
69.03433	1.2
71.01392	23.1
71.56336	1.4
73.02943	13.4
75.23090	1.0
77.85322	1.1
79.89165	1.0
81.00523	1.2
83.01406	4.0
85.02950	8.0
89.02453	11.4
93.03470	8.4
95.01392	1.3
96.96026	15.9
101.02451	18.9
108.02155	1.4
109.02961	2.1
111.00890	2.3
111.04536	1.1
113.02450	10.9
118.80262	0.9
119.03510	6.6
125.02460	2.6
131.03557	1.3
134.03741	2.2
135.04546	6.1
137.02463	1.5
143.03528	1.6
144.28308	1.0
149.04567	4.0
150.03235	2.6
153.01918	1.3
161.04568	8.6
163.11285	4.8
165.05560	2.6
167.03549	1.4
173.04558	11.8
179.03537	4.2
179.05623	2.1
179.07126	1.4
191.05618	18.4
192.06042	2.7
193.04988	2.4
221.06664	2.8
269.08212	1.2
289.13007	2.2
311.08081	2.4
353.06238	2.1
354.07031	2.0
355.07431	2.2
387.16614	52.2
388.17010	3.8
503.15286	1.4
527.12750	1.2
529.13452	2.3
547.14435	1.9
575.90649	1.2
644.50067	1.2
721.20978	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	721.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.5
59.01385	14.7
60.81743	1.1
61.98538	1.8
61.98838	34.1
69.03455	1.3
69.17280	1.0
69.90499	5.2
71.01394	14.3
71.05058	2.9
73.02943	2.9
78.21224	1.2
81.03443	2.2
83.01394	3.3
83.05032	5.1
85.02949	5.7
87.00871	2.0
88.98799	1.2
89.02457	8.1
93.02901	1.2
93.03458	4.1
95.04997	2.0
96.96021	8.2
97.02959	5.2
97.06604	3.2
99.00898	14.0
101.02451	8.7
101.99213	1.2
107.31516	1.0
108.02154	1.7
109.02887	1.4
109.06583	2.1
113.02459	5.6
119.03510	2.1
119.04996	1.6
121.02944	1.7
123.08170	1.9
125.02461	1.5
125.09721	5.8
127.11324	1.5
128.07236	1.1
135.04485	2.7
135.08148	1.7
137.02477	1.8
145.02991	1.2
153.01962	1.4
161.04568	2.6
163.04018	2.0
163.11281	12.0
164.11584	1.1
165.12848	3.3
169.12318	3.4
171.10284	3.1
173.04558	2.9
179.03554	1.9
181.12337	15.3
190.02788	1.5
191.05595	3.8
191.10895	1.3
197.11839	5.0
198.12177	2.8
199.13443	17.1
200.13799	1.5
205.09094	1.2
207.10280	28.8
208.10724	1.2
209.11850	73.4
210.12202	8.0
213.22713	1.2
225.11337	56.3
226.11775	1.8
227.12875	8.8
228.13519	1.2
243.12383	11.9
253.09363	3.0
329.06461	1.7
383.07199	1.2
399.16647	1.9
430.33258	2.1
461.20340	6.0
471.49472	1.4
479.21353	3.2
653.32086	4.1
671.32855	4.9
689.33868	100.0
690.34326	13.1
721.36346	48.0
721.46173	3.6
722.36743	8.6
722.47455	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	721.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85620	4.1
59.01387	44.9
61.98843	17.4
69.60974	4.4
70.76214	9.0
70.76621	7.9
71.01389	34.2
72.76028	4.6
73.02961	5.4
78.95914	15.1
85.02965	6.5
87.00883	7.0
89.02451	32.1
96.95998	10.3
97.02962	5.7
101.02470	24.7
102.24004	4.0
103.91863	4.5
113.02464	8.4
119.03487	11.3
119.05022	4.5
125.02470	9.6
134.95038	4.9
135.04500	5.5
135.60950	3.9
161.04521	7.8
173.04605	8.5
173.31793	3.9
179.05676	8.6
191.05640	15.7
209.11868	14.7
235.08258	12.4
253.09050	5.5
255.23244	4.1
263.20197	69.2
264.20444	8.6
287.07770	4.1
293.21350	6.4
303.29163	3.7
397.13571	100.0
398.13629	7.2
399.92432	3.8
415.14532	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88413	0.5
57.03445	1.0
59.01105	1.0
59.01387	12.2
61.98832	1.1
67.06141	0.5
69.03468	1.3
71.01395	6.2
72.99315	0.7
73.02946	1.4
78.46788	0.5
81.03474	1.1
83.01408	1.2
83.05035	1.3
85.02970	2.1
87.00881	1.6
89.02451	5.2
95.01398	1.7
95.05046	3.9
96.96027	0.7
97.02983	4.7
97.06592	0.9
97.63544	0.5
99.04566	0.8
101.02444	5.6
107.04975	0.7
109.02962	1.2
109.06603	11.7
110.03733	1.5
110.06888	0.8
111.04510	1.4
113.02460	3.8
115.04076	0.5
119.03498	1.5
121.06604	0.8
125.09703	0.8
127.07657	0.6
135.08160	1.2
142.02702	1.0
145.05022	1.2
149.09706	0.7
151.11299	0.5
153.12823	0.7
161.04543	2.2
161.09781	1.2
163.11296	11.6
164.11589	0.6
169.12309	1.0
179.05670	1.2
179.10815	2.2
181.12358	2.1
189.09227	5.6
197.11836	0.6
207.10286	42.8
208.10605	2.7
223.09776	1.0
225.11340	100.0
225.69037	0.7
226.11650	5.8
233.22768	0.6
235.08279	6.7
253.09315	12.2
255.23418	0.7
275.20343	0.6
277.21750	81.2
278.22073	6.8
279.23215	0.6
317.50232	0.5
443.19379	8.8
444.19128	1.0
461.20346	18.3
462.20721	2.4
721.41748	16.1
722.42291	4.7
746.88068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.2
61.98533	0.5
61.98838	6.7
69.23438	3.4
71.01389	4.6
72.76110	0.3
72.99335	0.4
73.02952	0.3
75.78064	0.3
79.95737	0.4
80.10638	0.4
83.01398	0.9
83.05051	0.5
85.02953	1.8
87.00873	0.7
88.98824	0.5
89.02448	2.5
93.03475	2.8
93.92158	0.3
95.01375	0.4
96.96022	7.0
101.02439	2.1
109.02950	0.5
111.00893	0.5
113.02467	1.6
119.03497	1.0
119.05089	1.6
121.02970	0.7
123.00899	0.4
123.04556	0.5
125.02453	1.0
128.03549	0.4
134.03746	0.7
135.04553	1.2
137.02454	3.9
149.02429	1.0
149.99623	0.7
151.00348	0.8
151.04007	0.4
152.01154	0.5
161.02422	0.7
161.04474	0.5
163.04027	1.5
164.04669	0.4
167.03560	0.4
168.00632	1.1
172.50540	0.3
173.04625	1.6
175.04102	0.7
177.01978	0.4
178.02773	0.4
179.03529	0.7
179.05580	0.6
181.05199	0.6
190.02754	1.0
191.05640	1.9
193.05009	0.7
198.03229	0.8
201.11458	0.4
202.02675	0.8
205.05095	0.9
209.11858	0.4
214.02724	0.6
223.06149	0.4
226.02789	1.9
242.02272	0.8
255.02951	0.4
257.04504	0.5
268.03799	0.7
270.01773	7.5
271.02307	0.9
281.04538	1.3
282.05399	2.0
283.02847	0.4
283.06192	1.0
284.03305	1.0
285.04077	23.6
286.04443	1.4
297.04095	0.6
298.04843	0.5
299.01962	1.0
299.05353	0.7
300.02966	0.4
307.19150	0.3
309.04260	1.5
311.05786	1.6
313.03571	42.4
314.04077	4.2
325.20081	0.4
327.05081	3.7
328.05908	100.0
329.06320	11.9
330.06958	0.5
341.99341	0.3
355.08063	0.7
392.01270	0.4
425.88562	0.4
477.12027	3.0
478.12030	0.5
507.13080	5.8
508.13141	1.1
596.35797	0.3
723.24524	0.7
723.38525	1.2
736.69360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59132	0.8
55.09792	0.7
57.03444	1.5
59.01384	1.2
62.63628	0.8
64.45277	0.9
67.01890	1.0
71.01378	2.7
71.56978	1.1
73.02956	0.8
85.02959	14.5
87.00861	2.0
93.03481	7.4
94.30398	0.8
95.05006	1.3
95.27032	1.0
96.96014	2.4
105.03450	3.2
107.05027	2.0
109.02970	2.9
111.00890	2.2
111.04544	3.0
123.04555	12.9
127.03973	1.6
129.01952	2.8
133.02068	1.6
133.02986	24.7
134.03712	2.7
135.04549	35.3
136.04877	2.3
137.02449	1.4
151.04027	9.2
155.03529	2.6
159.04471	1.0
161.02432	3.1
163.04015	1.0
173.04596	10.6
177.01964	10.7
179.03520	33.3
180.03816	2.5
191.01978	3.1
191.05635	100.0
192.05949	6.5
195.03027	15.4
196.03305	1.4
209.03036	2.5
223.04608	4.5
229.01424	1.0
299.71149	0.9
313.07083	1.1
339.04935	1.0
353.08829	53.9
354.09183	5.3
369.08255	12.0
370.08655	1.1
385.80356	1.0
597.75372	0.9
650.18634	0.9
723.18274	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	723.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49589	0.1
50.74107	0.1
52.66851	0.2
57.03422	0.2
59.01389	2.0
61.98840	2.6
64.99889	0.2
65.03960	0.5
69.69698	0.5
69.70106	0.5
71.01395	2.1
72.99308	0.2
73.02947	0.6
83.01401	0.6
83.05051	0.3
83.85760	0.2
85.02963	1.1
88.98795	0.2
89.02454	0.6
93.03469	52.3
94.03809	1.8
96.96037	1.1
97.02990	0.2
99.00900	0.4
101.02450	1.2
107.05018	0.2
108.02205	0.2
109.06592	0.3
111.04497	0.2
113.02449	0.8
116.92857	0.2
119.05051	0.4
121.02970	0.2
125.02397	0.2
125.09750	0.2
127.35797	0.2
134.03783	0.2
135.04518	0.8
137.02463	100.0
138.02798	3.3
149.02353	0.3
151.04066	0.3
161.02451	0.6
161.04582	0.7
163.04048	1.8
163.11287	0.2
164.04779	0.4
165.01920	0.2
171.10289	0.7
173.04521	0.5
178.06381	1.2
181.12323	0.2
190.02704	0.5
191.05630	0.6
193.04967	0.2
193.08633	1.1
205.05130	0.4
207.10266	0.6
209.11884	0.9
225.11388	0.7
226.11792	0.2
229.03535	0.4
243.12416	0.2
253.09023	0.2
299.07733	3.7
323.07745	0.4
324.08975	0.2
367.06726	0.8
375.09644	0.2
539.45074	0.2
650.38611	0.2
661.65576	0.2
663.37354	0.3
690.34155	1.1
691.34802	0.9
723.37067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01384	6.6
60.99313	1.3
61.98827	2.5
62.37917	0.6
67.01899	7.4
69.03450	1.3
69.53614	1.0
69.54019	3.3
71.01385	7.2
72.99309	0.8
73.02936	1.4
81.03474	1.1
83.01411	1.5
85.02966	5.0
87.00874	2.4
88.98785	0.8
89.02472	3.2
90.78938	0.6
93.03468	40.0
94.03798	1.5
95.01398	0.9
95.05029	0.6
96.96011	6.6
101.02431	3.6
105.03468	2.1
109.02947	2.3
111.00905	5.7
111.04530	5.5
113.02471	2.4
119.03516	0.8
119.05025	1.1
121.02962	2.0
123.04533	1.3
125.02477	1.2
127.04059	1.0
132.02180	1.5
133.02971	19.2
134.03789	7.6
135.04541	9.2
136.04892	1.6
137.02455	10.6
137.06075	1.0
139.04013	1.1
147.04561	0.8
149.02406	1.3
149.06097	1.8
150.03191	1.9
151.03960	0.9
155.03497	4.6
160.01653	3.6
161.02457	12.1
161.04520	0.9
163.04004	0.8
164.04797	1.2
165.05560	0.7
173.04556	100.0
174.04945	3.7
175.00375	1.1
175.03990	2.3
176.04749	1.0
177.01920	8.5
178.02716	10.6
179.03529	7.3
179.05589	1.0
181.05092	1.7
190.02721	4.9
191.03587	1.7
191.05602	14.3
191.07101	0.7
192.04288	0.7
192.05960	1.0
193.05055	15.0
205.04996	6.1
223.06119	1.5
235.06187	1.5
265.07278	1.1
307.08203	1.1
351.07269	9.2
367.10284	5.2
368.10657	0.9
369.09714	17.6
370.10312	1.8
385.11432	7.5
386.11981	1.1
411.10306	0.8
432.15604	0.7
455.43942	0.7
531.14813	0.9
543.14984	5.4
544.16138	0.8
549.16119	5.8
561.16022	6.4
562.16589	1.5
661.47620	0.7
687.22504	0.9
723.20795	9.4
724.22351	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	723.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.4
70.01312	0.7
71.01383	2.9
71.56661	0.8
72.00923	1.0
72.99297	0.8
85.02976	2.1
86.02495	0.9
87.00874	0.8
89.02432	1.6
92.05107	1.7
93.03468	1.8
96.96030	1.3
100.04061	1.0
101.02426	1.1
108.02174	1.6
109.02937	1.0
116.05077	3.0
120.04616	0.9
120.99689	0.7
124.34934	0.7
128.05052	1.1
129.01991	1.0
131.03737	1.3
132.04573	6.3
133.03011	0.7
134.03775	0.7
135.04536	1.2
144.04568	5.2
145.05200	0.7
152.01154	0.8
153.01773	0.6
154.06581	0.9
156.06941	4.1
157.05368	0.6
157.07721	4.0
158.04916	0.8
158.06094	2.0
159.05678	1.2
160.04048	5.8
161.04536	0.9
162.05592	0.8
167.06160	6.7
169.07722	2.9
170.06119	1.3
171.09277	7.6
172.04095	1.1
173.04582	2.8
173.07202	8.0
179.06123	0.8
180.06941	0.7
181.07729	41.9
182.06105	2.2
182.08046	2.0
187.08815	1.9
188.05836	0.8
191.05618	7.9
197.07176	3.5
199.08780	29.3
200.09128	2.6
201.06677	3.9
211.08839	0.7
213.06641	0.9
217.09879	2.8
219.07716	1.7
226.05093	3.3
243.07777	19.9
244.08023	2.3
261.08813	57.9
262.09183	3.2
273.08810	2.2
315.07275	1.5
363.12106	3.6
369.08334	0.7
371.09756	0.7
381.13058	100.0
382.13397	10.5
678.08020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01385	22.8
60.01721	0.4
67.01900	4.6
71.01397	3.0
71.57719	0.5
72.99324	3.0
73.02965	1.3
83.01380	3.7
85.02962	10.3
87.00888	0.9
89.02447	0.8
93.03464	1.5
96.96054	0.7
99.00877	2.1
101.02464	4.2
111.00892	100.0
112.01214	2.4
113.02457	1.6
123.00893	0.5
123.04548	0.5
125.69001	0.4
129.01953	2.3
134.03738	1.2
135.04532	0.4
137.02481	0.6
138.03256	0.7
149.05984	0.5
153.05534	0.9
154.99886	13.0
158.32246	0.4
161.04541	1.2
161.05998	0.4
166.27780	0.4
173.00923	54.7
173.04478	3.2
174.01234	1.6
179.03479	0.8
191.01979	1.7
191.05606	5.0
192.06024	0.7
193.04852	0.5
199.66771	0.4
203.16672	0.4
235.11887	4.4
269.10355	0.6
271.09982	0.6
277.13013	2.0
357.09711	2.4
367.10284	0.4
387.10233	0.5
401.14371	0.7
425.09854	0.4
500.88632	0.4
549.15698	1.0
723.27734	7.0
724.27509	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	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
69.03463	0.2
69.67120	1.0
71.01398	2.5
73.02953	0.6
77.64105	0.2
80.02690	1.1
81.03453	1.2
83.01390	0.5
83.05036	4.1
84.02177	0.5
85.02951	0.5
87.00871	0.6
89.02467	1.7
95.01400	0.4
95.05032	0.5
101.02451	2.2
103.89757	0.2
109.06610	0.6
113.02467	1.3
119.03527	0.6
125.02468	0.2
125.06101	0.4
135.08102	0.4
143.03522	0.4
145.05070	0.3
147.11848	0.3
161.04576	0.9
163.10017	0.4
163.11302	3.7
164.11578	0.3
165.12845	2.1
172.90932	0.2
179.05606	0.4
181.12407	0.6
191.10776	0.9
207.10272	0.4
209.11844	100.0
210.12180	6.7
210.14206	0.3
225.11357	0.3
227.12909	10.6
228.13197	0.4
235.08226	3.2
253.06650	0.4
253.09312	9.1
254.09772	0.3
259.20682	0.3
267.28751	0.2
275.20163	0.2
277.21741	71.1
278.22083	7.2
279.23273	0.4
290.18457	0.2
315.67554	0.2
415.81888	0.2
445.20621	0.7
531.39117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
57.03452	0.2
58.00617	0.2
59.01381	3.6
61.98840	0.6
64.75948	0.2
70.62179	0.2
71.01388	2.9
73.02961	0.5
78.95890	0.2
80.02699	0.8
81.03482	1.0
83.01382	0.3
83.05034	4.5
83.05546	0.2
84.02196	0.7
85.02979	0.5
87.00896	0.4
89.02467	1.6
95.05022	0.5
101.02451	2.1
109.06618	0.4
113.02440	1.2
119.03501	0.4
120.55435	0.2
125.06123	0.5
127.07652	0.2
135.08182	0.8
143.03618	0.3
147.11815	0.2
161.04584	0.8
163.11314	4.0
164.11571	0.3
165.12877	2.1
169.12421	0.2
179.05589	0.5
181.12407	0.6
191.10783	0.7
199.13445	0.5
207.10327	0.9
208.10716	0.3
209.11847	100.0
210.12180	6.1
218.46861	0.2
225.11340	1.2
226.11632	0.5
227.12910	13.2
228.13226	0.8
229.54646	0.2
235.08240	1.4
253.09297	8.0
254.09720	0.5
275.20325	0.2
277.21741	52.8
278.22086	5.6
279.23154	0.8
445.20917	1.1
463.21594	0.3
489.31030	0.2
578.77734	0.3
723.43103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76501	0.4
52.93707	0.3
56.89856	0.4
57.03463	0.6
59.01379	4.5
61.98840	3.9
69.03454	2.0
69.67166	2.1
71.01392	3.2
73.02970	0.8
75.00897	0.4
79.01943	0.8
81.03463	1.0
83.01426	1.6
83.05070	0.4
85.02946	3.2
87.00952	0.6
88.98837	0.6
89.02489	1.4
93.03513	1.8
93.93954	0.4
95.01393	2.0
96.96060	1.7
97.02939	1.8
98.20660	0.4
99.00898	0.6
101.02473	2.5
107.01461	1.1
108.02200	2.9
109.03004	1.8
111.00901	0.7
113.02511	1.3
116.92871	0.5
117.03525	0.5
119.03584	0.6
119.05041	6.2
121.03000	1.3
123.00906	4.9
124.01686	10.6
125.02460	42.2
126.02815	1.1
133.03000	0.7
134.03761	0.9
135.04579	1.5
136.52499	0.5
137.02466	3.1
139.04021	0.6
145.02951	0.7
148.05305	3.5
149.02496	1.5
149.99597	22.3
150.03241	0.7
151.00397	2.7
151.04070	0.5
152.01241	3.0
153.01970	1.6
154.35620	0.4
160.01735	0.7
161.02498	0.9
161.04619	0.5
163.04016	7.2
163.05240	0.6
163.07692	1.0
164.04811	1.1
165.02031	0.6
165.05566	0.6
167.03526	1.3
168.00659	48.9
169.01436	6.1
171.10295	0.6
173.04591	1.7
175.04083	1.0
177.02025	1.3
178.02704	0.4
179.03558	1.4
184.33702	0.4
188.45253	0.4
190.02756	0.9
191.04082	0.5
191.05574	2.5
193.05020	0.9
205.05081	1.2
209.11913	1.0
211.02646	0.4
221.08199	0.5
223.06085	0.9
265.07355	0.8
269.10529	0.6
270.01807	1.2
283.06100	0.4
285.04056	3.0
309.07819	0.9
313.03088	2.3
313.06335	5.9
314.03754	1.0
315.07156	3.3
325.09335	0.7
327.05066	0.6
328.05902	11.9
329.06241	3.0
330.06500	1.2
331.06729	100.0
332.07101	7.2
337.09369	1.3
339.07260	2.0
339.12460	0.6
353.09906	0.8
355.06604	0.4
367.10529	0.7
383.06308	1.4
399.05716	24.0
400.06094	1.9
444.54172	0.5
455.19153	0.7
472.31332	0.5
507.13077	0.9
563.19330	2.1
725.19250	13.9
725.38770	0.7
726.19427	2.5
726.63379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04870	2.2
57.03440	5.1
59.01388	43.2
61.98583	2.1
61.98842	20.1
69.03458	2.7
71.01073	1.9
71.01391	24.8
71.55759	1.9
72.99303	2.2
73.02943	5.7
75.00861	3.1
81.03455	2.2
83.01385	11.3
85.02956	20.7
87.00888	3.8
89.02425	9.2
93.03471	12.3
93.75380	2.4
95.01379	4.7
96.96043	13.7
101.02477	11.9
108.02194	97.6
109.02982	45.4
111.00856	7.2
113.02444	10.2
116.92872	3.2
119.03478	2.9
119.04987	6.3
121.02929	7.1
122.03703	4.6
123.00827	3.0
123.04489	3.7
125.02427	7.8
133.02934	2.6
134.03746	3.9
135.04509	6.1
137.02437	9.0
145.02946	4.2
149.02429	9.0
150.03252	31.9
151.03957	3.9
152.01181	100.0
153.01978	44.7
160.01642	2.9
161.02458	5.1
161.04512	5.3
163.04041	4.1
165.01936	3.9
165.05606	31.9
166.02650	8.0
166.05856	4.0
167.03450	3.1
173.00880	3.5
173.04503	6.8
173.05867	2.3
175.03946	8.7
179.03493	4.4
180.04134	3.1
181.04979	7.3
190.02618	3.7
191.01955	3.7
191.05550	9.6
191.07007	2.3
193.05031	7.6
193.74274	2.2
195.06668	13.7
217.05020	6.3
248.17439	2.1
271.02374	6.5
275.09192	4.3
285.03989	4.5
299.02026	23.0
300.02338	5.9
303.48169	2.0
307.10388	5.0
313.03415	3.2
314.04321	27.2
315.07312	94.0
316.07547	6.5
327.21701	3.6
329.06683	60.4
330.06931	8.9
331.07150	3.3
357.08267	20.6
387.11075	3.0
397.11243	5.7
399.09320	24.7
417.15417	6.1
423.09280	9.3
477.11096	4.3
491.12039	4.8
525.14063	85.3
526.14441	20.0
527.14636	16.8
528.14740	3.1
707.22467	3.2
725.22858	88.0
726.22919	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	725.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30060	0.5
59.01384	5.0
61.98836	7.1
68.17990	0.5
69.67166	3.1
70.18742	0.5
71.01382	3.1
83.01424	0.5
85.02946	3.2
87.00883	1.3
88.98806	0.8
89.02445	0.7
93.03465	12.6
95.01395	0.7
95.05065	0.8
96.96015	3.8
99.00908	0.6
101.02438	1.7
105.03469	2.8
108.02148	1.0
109.02959	1.7
111.00919	0.8
113.02451	1.6
116.92838	1.1
117.03497	1.0
117.92949	0.5
119.05039	8.0
121.02973	1.5
123.00889	1.0
123.04477	0.6
124.01688	0.6
125.02472	1.2
131.05052	1.0
133.02963	2.1
133.57187	0.5
134.03746	1.5
135.04515	2.0
137.02408	2.5
138.03258	3.2
143.05048	9.0
145.02968	1.2
147.04572	0.8
149.02463	2.3
150.25366	0.5
151.04015	8.6
152.01166	1.7
153.05592	3.2
155.05055	0.9
156.05806	0.6
158.03755	2.1
159.04550	3.2
160.01660	1.5
160.05200	0.5
161.02464	30.2
162.02792	1.1
163.04041	8.3
163.07658	0.6
164.04774	2.1
165.05589	1.1
167.03503	1.0
168.00641	0.7
171.04552	1.6
173.02470	1.2
173.04532	2.7
175.04053	0.7
176.04813	14.0
177.05153	1.0
179.03519	48.8
179.07108	2.4
180.03940	2.8
187.04030	4.3
188.04691	1.1
190.02760	1.0
191.02049	0.6
191.05580	2.1
191.07166	6.1
193.05032	1.2
194.05861	42.6
195.06259	2.6
195.08162	2.0
199.04034	14.1
200.04343	1.2
201.01929	0.9
201.05588	0.9
201.35390	0.6
203.07141	1.7
205.05075	1.0
209.08205	44.5
210.08537	2.2
223.07671	6.5
224.08028	0.7
229.01433	0.7
233.06007	0.7
234.06943	1.0
235.07692	2.2
236.08191	0.5
249.05559	1.1
251.07130	6.0
252.07376	0.9
261.05664	1.2
262.06345	1.6
263.07159	7.4
264.07797	1.5
267.06628	0.6
277.05161	0.9
277.08685	2.2
278.06265	2.4
278.09473	2.2
279.06644	16.5
280.07135	2.3
293.08313	3.4
294.09000	7.4
295.06082	0.9
295.09277	0.9
299.01901	0.7
309.07840	1.0
309.11295	8.2
314.04282	0.5
323.05594	4.0
327.21768	2.4
329.06653	2.1
331.06503	0.9
338.07974	5.2
353.10336	100.0
354.10681	12.0
355.08234	0.9
461.53778	0.6
491.11548	0.6
563.19269	38.7
564.19562	7.3
606.88434	0.6
665.38232	1.0
725.24988	0.7
726.20886	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	725.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01109	0.9
59.01387	12.7
60.01696	1.0
61.98540	0.9
61.98839	11.9
62.49685	0.8
65.03974	0.9
67.01893	1.4
69.02580	0.8
69.34559	3.0
69.34978	3.6
71.01385	12.5
72.99351	0.8
73.02953	2.0
75.00868	0.8
77.97141	0.7
83.01391	1.5
84.02154	0.7
85.02960	7.7
87.00878	1.6
87.48323	0.7
88.98837	1.6
89.02459	5.3
93.03468	18.9
96.96029	7.6
97.02916	1.1
101.02433	5.5
108.02177	1.4
109.02946	4.3
111.00887	2.2
113.02444	3.4
117.03455	2.0
119.01378	0.9
119.03542	2.1
119.05047	32.8
120.05363	1.1
121.02959	5.4
123.00854	1.9
124.01659	0.9
125.02468	1.9
131.05054	1.0
132.02187	1.4
133.02954	1.7
134.03740	3.3
135.04520	2.0
137.02458	5.0
138.03273	4.8
143.05031	12.7
145.02974	6.0
147.04558	1.1
149.02454	5.2
151.04002	4.6
152.01199	1.9
153.01933	7.3
153.05559	3.6
158.03781	2.4
159.04559	4.6
160.01668	3.2
161.02460	14.6
161.04507	1.8
161.06027	1.7
162.02829	1.2
163.04028	28.3
164.04791	4.8
167.03577	0.9
171.04494	2.8
171.10287	4.1
173.02362	1.5
173.04532	3.9
175.00415	4.6
175.03990	3.5
176.04782	8.3
177.01936	1.0
177.05351	1.5
178.02745	0.9
179.03517	24.6
179.05287	1.1
179.07030	2.1
180.03926	1.6
187.04016	5.4
188.04784	1.6
190.02750	9.5
191.01929	0.9
191.03781	0.7
191.05615	4.8
191.07159	3.7
193.01323	0.9
193.05048	2.7
194.05846	20.0
195.06364	1.5
195.08163	1.9
196.55223	0.8
199.04022	17.0
201.05598	1.5
201.11285	4.0
203.07176	1.2
205.05084	10.5
207.10190	1.0
209.06177	1.4
209.08192	22.0
209.11748	4.5
211.13445	1.0
221.06192	1.3
223.05989	2.1
223.07848	7.4
227.12903	1.0
229.01350	1.0
234.06967	1.0
235.07669	3.1
237.05557	1.1
250.06223	1.4
251.07196	7.5
253.09108	1.4
261.05688	1.7
262.06387	2.2
263.07166	12.0
264.07672	2.0
267.06793	0.9
277.05261	1.2
277.08691	2.7
278.05826	2.8
278.09427	1.8
279.06631	20.2
280.07150	1.7
281.08142	1.4
293.08099	3.9
294.09024	10.0
295.06052	2.1
295.09259	1.7
297.07831	1.5
309.07690	2.9
309.11328	9.3
312.10101	1.4
323.05527	4.4
324.09973	1.4
325.09561	0.9
327.12448	1.8
327.21786	1.3
337.09509	1.4
338.07922	6.3
339.08789	1.5
339.12402	1.5
353.10330	100.0
354.10626	10.8
367.10373	10.2
368.10580	1.2
387.10779	1.6
415.14294	0.9
471.18036	0.9
545.18359	7.6
546.18298	1.4
563.19232	37.1
564.19611	7.8
606.75378	0.8
621.34943	1.9
665.38074	1.5
725.24011	10.6
725.35388	1.1
726.25372	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	725.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
59.01385	21.5
61.98838	25.6
67.01868	1.5
71.01391	28.6
71.56223	2.2
72.99292	2.3
73.02950	5.6
74.02472	1.6
81.03452	2.1
83.01402	3.8
85.02944	14.0
87.00877	4.0
87.25378	1.3
88.98817	2.0
89.02444	9.9
91.01888	2.4
93.03483	9.2
95.01399	1.8
96.96039	10.8
99.00931	1.8
99.04531	1.5
101.02470	9.9
108.02224	2.4
109.02976	3.4
109.06525	2.5
111.00879	5.1
113.02448	7.6
116.03510	2.7
116.92870	3.2
117.03447	6.1
119.01380	4.9
119.03515	4.0
119.05037	16.4
120.01260	1.4
121.02991	11.6
123.00926	2.6
124.01669	3.4
125.02442	9.8
132.02171	5.9
133.02971	3.4
134.03749	15.3
135.04578	10.5
137.02435	5.9
139.00407	3.2
139.03972	2.7
145.02965	10.5
147.00873	5.8
148.05196	1.9
149.02455	15.8
149.99614	2.3
150.03177	3.8
151.03993	3.0
152.01080	3.1
153.01950	3.6
159.04588	3.2
160.01695	20.8
161.02396	6.7
161.04588	3.7
161.05876	1.9
162.03188	3.4
163.04033	14.5
163.11360	1.7
164.04800	16.7
165.01912	3.7
165.05476	2.8
168.00677	7.5
171.10266	9.3
173.04564	7.0
175.00383	31.6
175.04007	27.5
176.01125	2.1
177.01907	2.3
177.05537	2.8
178.02708	2.4
179.03455	5.3
179.05682	2.8
179.07167	4.3
189.02008	2.1
190.02740	85.8
191.03267	5.4
191.05600	13.9
191.07166	2.1
193.05049	10.0
194.05853	1.5
195.06671	2.2
201.11340	7.9
205.05080	80.1
206.05412	6.2
207.10263	1.5
209.11945	7.3
222.05295	3.2
223.06140	17.1
225.11337	2.2
247.88478	1.9
251.07413	1.7
253.08951	3.0
263.07132	4.6
268.07407	2.4
269.10358	2.2
271.02423	1.9
278.09650	1.7
279.06540	3.0
280.07202	2.7
281.08395	3.8
293.08072	4.2
294.08914	4.1
297.07651	12.5
299.02124	3.6
308.10196	2.3
309.07669	21.0
309.11298	5.6
311.09247	2.0
312.10114	12.2
313.03232	1.8
314.04315	3.4
323.09256	6.6
324.10025	14.2
327.08795	2.8
327.12375	24.8
327.21735	2.8
328.05795	3.4
328.12656	2.7
329.06659	11.8
330.07001	2.6
331.06689	5.9
337.05432	2.5
337.09338	31.4
338.09583	2.2
339.08670	6.0
339.12347	16.4
340.12460	2.5
342.11014	4.2
353.09857	2.4
354.11136	1.9
357.13446	5.9
367.10349	100.0
368.10709	9.2
369.13565	4.6
373.80679	1.6
455.19077	5.0
461.15973	6.5
462.16873	2.1
545.18225	15.8
546.18384	3.7
563.19421	4.2
576.96985	1.6
665.37567	2.5
689.36896	2.1
725.24622	67.9
725.37482	4.1
726.25085	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	725.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03436	2.3
59.01109	1.0
59.01384	15.9
61.98832	10.6
71.01389	13.4
71.05363	1.0
71.05712	1.7
72.99318	1.0
73.02945	3.3
78.06235	0.7
83.01367	2.0
85.02965	10.7
87.00890	2.2
88.98814	1.5
89.02454	9.4
89.03957	0.9
93.03444	3.0
96.96008	8.9
97.02942	1.6
97.06578	2.3
99.29834	0.7
101.02453	7.9
105.03464	0.9
105.51517	0.8
106.04214	1.1
108.02158	1.8
109.02942	1.8
111.00881	3.4
111.04544	1.3
113.02454	5.0
117.03457	3.2
119.03486	2.5
119.05020	1.5
121.02948	1.7
124.01657	1.0
125.02422	3.5
125.09743	1.1
132.02191	20.7
133.02922	2.9
134.03758	47.0
135.04602	4.6
137.02438	3.2
139.04004	1.1
147.04474	0.9
149.02364	1.0
149.06114	6.1
150.03241	1.2
152.01146	1.5
153.01967	0.9
160.01674	84.2
161.02197	5.1
161.04535	2.2
164.04799	1.5
165.05583	1.4
165.12854	0.9
167.03494	2.0
168.00519	1.0
171.10306	4.9
173.04521	2.1
175.04015	78.9
176.04474	4.3
177.01949	1.8
177.05623	0.7
178.02696	2.8
179.03410	2.0
179.05685	1.2
183.13843	2.2
190.02718	1.1
191.01956	1.9
191.05579	3.4
191.07166	2.9
193.05067	36.8
194.05429	2.1
205.05013	2.0
207.06667	1.1
209.11833	1.6
211.13429	11.6
212.13861	0.9
220.03619	0.8
221.11838	2.1
225.73387	0.7
229.14435	7.7
235.06123	5.4
239.12837	1.0
265.07242	1.8
291.19714	3.0
299.02063	0.9
309.20840	1.4
327.21783	62.1
328.22217	5.7
359.02716	0.9
376.65585	0.9
397.13739	1.2
415.14624	15.2
416.14694	2.1
422.76147	0.9
476.38693	0.9
525.14154	1.8
725.30267	100.0
726.30542	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	725.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85666	3.0
59.01386	34.9
61.98834	15.5
69.03436	3.5
71.01382	29.7
71.56287	4.0
73.02951	7.3
83.01402	3.7
85.02962	6.9
87.00876	7.8
89.02453	24.8
96.96013	5.2
97.02948	3.3
101.02459	20.5
109.02967	3.7
113.02451	12.8
119.03503	9.1
125.02458	8.7
137.89313	3.1
161.04604	6.7
179.05621	4.4
209.11794	6.8
235.08180	6.9
253.09602	3.0
267.20432	4.8
267.23312	77.8
268.23709	8.1
279.23254	5.2
287.07620	3.4
293.21204	3.4
397.13525	100.0
398.14044	7.4
415.14697	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	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
57.54043	1.5
59.01383	14.4
61.98839	9.5
65.07407	1.3
65.96672	1.4
69.02779	1.4
71.01382	4.5
85.02943	2.3
89.02441	3.5
96.96021	2.3
97.06583	4.4
98.19832	2.9
101.02473	3.9
113.02507	2.0
148.84029	1.4
151.11279	12.9
161.04510	1.9
169.12354	50.1
195.10170	3.8
195.13849	5.3
197.11830	1.6
209.11784	2.5
213.11307	7.3
223.13478	3.7
253.09229	4.3
275.20059	3.3
279.23132	1.5
280.23547	1.9
293.21222	24.7
294.21600	2.1
398.13916	2.3
431.18994	2.5
449.20261	4.5
725.41260	100.0
726.41516	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	725.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.3
59.01386	9.8
61.98834	4.7
69.03388	1.4
71.01384	7.7
71.56041	2.4
72.55969	1.3
72.99312	1.9
73.02966	2.8
75.00897	1.8
80.47659	1.2
83.01417	1.4
83.05032	4.6
84.11156	1.4
85.02964	2.3
87.00865	1.3
89.02447	3.9
95.01405	1.9
97.06587	3.8
101.02442	6.1
113.02463	4.2
123.08195	2.3
125.09734	5.6
127.11173	1.7
139.11307	2.0
141.12950	1.4
157.19017	1.8
161.04552	2.9
163.11241	3.1
167.10788	6.6
171.10236	2.5
176.55289	1.4
185.11848	64.0
186.12122	3.4
199.50571	1.5
209.11855	84.8
210.12178	7.8
211.09665	2.5
225.11340	1.4
227.12900	9.1
228.13200	2.6
229.14398	4.1
235.08327	7.3
253.09271	15.2
277.21756	84.3
278.22137	11.1
279.23325	91.2
280.23608	9.3
725.41156	100.0
726.41467	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	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.3
59.01394	6.4
61.98811	0.8
62.07178	1.0
71.01383	6.2
71.56463	1.3
73.02950	1.3
75.00893	1.6
78.99262	0.8
83.05053	1.9
85.02953	2.3
89.02448	2.4
95.39127	1.0
99.00884	1.5
101.02445	3.9
113.02464	3.5
125.02477	1.1
125.09734	2.8
139.11293	1.8
141.12811	1.5
155.10814	1.3
165.12691	1.1
167.10834	4.3
171.10265	3.1
185.11841	100.0
186.12216	5.7
207.10371	1.1
209.11833	30.3
210.12181	2.6
211.09746	1.0
227.12877	3.3
229.10814	2.2
229.14465	1.1
253.09256	7.8
277.21725	34.6
278.12283	1.1
278.22195	4.1
279.23282	18.9
280.23636	1.7
383.72501	1.0
436.89670	1.0
445.54376	1.0
447.18759	1.7
465.19876	2.0
474.82986	0.9
725.41217	82.8
726.41486	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	727.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45426	1.1
55.01880	1.6
57.03447	2.7
59.01387	17.6
61.98826	6.5
65.94775	1.1
69.03447	4.3
69.72686	3.6
69.73109	4.0
71.01398	12.3
72.99330	2.6
73.02950	2.0
75.00872	1.5
75.04205	1.1
81.03474	2.5
83.01370	6.9
85.02951	11.6
87.00891	3.6
88.98819	2.1
89.02429	4.4
90.16182	1.2
93.03468	8.0
95.01383	2.9
96.96027	7.5
97.02937	5.3
98.20530	2.4
99.00892	2.6
101.02424	6.1
108.02161	4.1
109.02969	7.4
111.00896	22.3
111.04534	2.0
113.02441	5.5
115.00391	1.5
119.04964	2.2
121.02930	3.0
123.00891	11.9
123.04504	3.5
124.00877	1.4
124.01685	20.5
125.02469	65.1
126.02787	1.7
133.02982	1.7
134.03748	2.8
135.04547	11.4
135.83015	1.4
136.01662	2.2
137.02467	11.2
145.02913	2.0
149.02380	3.3
149.06032	2.0
149.99608	41.6
151.00282	4.7
151.03952	2.5
153.01910	5.2
154.99770	1.4
155.03535	1.9
160.01552	2.0
161.02428	3.0
161.04568	3.4
161.06000	2.1
163.04004	2.9
165.01941	2.0
167.03485	3.0
168.00668	63.4
169.01450	7.8
173.00932	10.3
173.04553	7.2
175.04001	4.2
176.04813	1.7
179.03494	7.7
181.01578	1.3
181.05081	2.0
190.02696	4.2
191.01933	2.3
191.03978	1.1
191.05659	10.4
193.05029	3.3
195.06558	3.1
197.04381	1.3
205.05026	5.0
209.02887	2.1
223.06064	4.1
229.01437	3.0
240.57954	1.2
243.02867	2.4
263.07855	1.6
271.09717	3.7
272.07098	1.4
295.10172	1.2
313.05661	10.0
331.06757	16.0
332.06921	1.7
339.07315	1.3
355.06604	1.5
367.08450	4.5
373.08173	1.3
415.08939	1.5
493.13098	1.1
691.18427	4.1
727.20721	100.0
728.21033	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	727.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23999	0.3
56.24604	0.2
59.01387	0.6
61.98832	0.7
70.87495	0.5
70.87835	0.4
72.76581	0.2
73.87131	0.2
91.35252	0.3
93.03482	1.4
96.96021	0.6
99.38312	0.3
113.42224	0.3
117.03489	14.4
118.03806	0.4
119.05046	100.0
120.05384	3.8
121.02979	2.4
123.04514	0.7
133.02924	0.6
133.06635	0.5
134.03804	0.3
137.02481	0.3
145.02975	41.4
146.03317	2.0
149.02501	0.3
161.02481	0.3
161.06146	1.0
162.03253	3.5
163.04030	69.6
164.04385	3.2
167.04584	0.3
171.10257	0.3
177.01971	0.9
177.05602	0.7
178.02744	0.3
179.03578	0.5
182.62411	0.3
192.04326	0.9
193.05008	0.3
194.05836	0.5
195.06688	0.3
199.09848	0.3
201.11299	0.4
207.06631	0.9
207.10178	0.3
207.86197	0.2
209.08104	0.4
211.07065	0.2
223.13435	0.5
225.11394	0.6
309.20679	0.3
353.10330	0.5
371.11429	0.9
469.21527	0.3
500.93665	0.2
516.64038	0.3
581.20361	4.8
582.20636	0.8
727.23950	10.6
728.24451	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	727.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98832	0.6
64.77786	0.2
69.48357	1.5
76.41805	0.2
76.55020	0.2
91.86700	0.2
93.03468	1.3
93.57537	0.2
96.96012	0.3
117.03484	8.0
119.05033	100.0
120.05357	4.2
121.02952	1.7
123.04538	0.7
133.02916	0.4
145.02965	29.6
146.03268	0.8
149.02444	0.2
162.03224	2.6
163.04018	69.1
164.04340	3.3
177.01941	1.0
177.05453	0.3
179.61830	0.3
192.04292	0.8
199.09840	0.3
201.11449	0.4
207.06583	0.5
207.73468	0.2
309.20718	0.4
332.02609	0.3
353.10266	0.3
371.11377	1.3
445.77939	0.2
448.35870	0.3
556.22089	0.3
581.20416	2.6
634.67841	0.3
727.23871	8.1
728.24420	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	727.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98836	1.3
63.10481	0.2
70.85392	0.6
70.85731	0.5
71.01384	0.5
79.26923	0.3
85.02966	0.6
93.03480	1.7
96.96024	1.0
101.02477	0.4
103.36798	0.3
117.03480	41.6
118.03819	1.6
119.05037	100.0
120.05377	4.0
121.02976	2.2
123.00897	1.8
123.04523	0.6
128.03506	0.3
130.54573	0.3
133.02953	0.5
133.06589	0.6
135.04547	0.4
137.02481	0.6
138.03230	1.0
145.02965	77.0
146.03325	2.8
147.04590	0.7
151.00381	6.0
152.01178	7.9
153.05597	0.4
162.03206	0.6
163.04021	57.5
164.04362	2.6
165.01921	1.2
165.05478	0.3
166.02733	9.3
167.03503	4.0
173.06061	0.3
175.04008	0.6
177.01962	0.4
177.05545	2.1
178.02670	0.7
179.03386	0.5
180.04358	0.3
181.05081	5.7
191.03674	0.3
191.05444	0.3
192.04263	0.5
193.04932	0.4
195.06674	0.8
199.09698	0.4
203.03433	0.4
205.05238	0.3
209.11877	0.8
211.13219	0.7
217.05069	0.3
287.05579	0.6
302.07962	0.7
317.10336	0.9
385.12903	0.5
385.79453	0.3
545.17804	0.5
551.19080	0.4
554.65820	0.3
563.19092	2.1
581.20294	4.3
582.19995	0.5
712.21265	0.4
727.23987	91.7
728.24329	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	727.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15362	0.4
59.01386	3.3
60.07180	0.3
61.98836	2.6
69.19846	1.1
69.20260	2.8
71.01406	0.9
85.02955	0.6
88.98810	0.6
89.02457	0.9
93.03460	2.0
96.96025	4.4
99.00854	0.5
101.02428	1.0
117.02648	0.8
117.03479	15.3
118.03827	0.8
119.05040	100.0
120.05374	4.2
121.02975	1.8
123.04585	0.5
132.05814	0.5
133.02951	0.4
134.03719	0.4
135.04575	0.6
137.02438	0.4
145.02971	30.7
146.03276	1.3
153.05562	0.4
162.03212	0.5
163.04028	78.0
164.04353	4.3
171.10347	0.6
173.04546	0.6
177.05568	1.3
182.04980	0.4
191.01958	0.5
191.05646	1.1
201.05595	0.9
207.10245	0.8
209.11841	1.5
211.13443	0.6
225.11316	0.9
267.07083	0.4
284.03244	0.6
293.21237	0.4
299.05786	0.6
309.04269	0.8
319.05917	0.5
339.08664	1.6
354.11209	1.2
369.13495	0.5
383.07874	0.6
398.10297	0.9
399.14783	0.5
413.12500	0.7
485.12442	0.8
515.16815	1.6
531.16400	0.8
533.18317	1.0
545.18225	35.6
546.18579	5.7
563.19177	1.1
611.96484	0.5
634.39258	0.4
679.21942	0.6
709.23151	4.8
710.22748	1.3
727.23950	16.2
727.33594	0.6
728.24310	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	727.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18958	1.1
55.01875	1.8
58.00609	1.3
59.01386	100.0
61.00675	0.9
63.61815	1.1
65.77007	1.0
69.03459	1.2
69.21233	9.9
71.01391	39.9
72.01689	1.0
72.99319	2.3
73.02554	2.2
73.02957	45.4
75.00874	2.2
83.01402	16.4
85.02966	14.0
87.00890	2.4
89.02465	8.9
90.52319	1.0
93.03465	6.6
95.01392	2.4
96.34605	1.1
96.96010	9.0
101.02457	49.1
108.02174	1.6
109.02943	2.1
111.00941	2.9
111.04523	1.5
113.02464	20.5
119.03526	6.5
119.04975	1.4
121.03017	1.8
125.02480	1.6
129.01932	1.4
131.03513	6.5
133.02945	2.0
134.03734	5.1
135.04559	11.6
137.02423	2.1
143.03493	4.5
147.04518	1.5
149.02429	1.1
149.04587	13.4
149.05757	1.9
155.03545	2.4
161.02481	1.6
161.04584	19.0
161.05899	2.3
163.04070	1.1
173.04570	15.2
179.03537	6.0
191.01941	3.8
191.05667	10.2
193.05028	5.1
201.01787	1.6
203.05617	3.0
209.03006	3.2
221.06706	8.8
224.59323	1.0
274.30701	1.1
285.11377	1.1
293.12436	1.2
301.06952	1.2
315.14798	1.4
319.13760	1.7
335.21777	1.4
353.08694	4.2
364.10544	1.2
367.10361	2.3
375.06937	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	727.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.4
61.98831	6.0
71.01398	3.8
71.57894	2.4
79.95806	1.5
83.01421	3.9
88.98826	2.2
89.02458	2.1
96.96012	5.1
101.02469	3.3
117.03442	3.4
119.05050	20.9
121.02974	100.0
122.03311	3.6
127.76209	1.4
137.65863	1.5
145.02945	5.3
163.04042	29.8
164.04382	2.4
171.10194	2.2
177.05548	3.1
178.50191	1.7
192.65549	1.8
199.09863	2.7
211.13519	3.2
234.72919	1.7
247.94102	1.5
293.21277	9.9
397.13568	12.2
415.14783	4.5
487.52054	1.7
605.20386	4.7
683.39807	3.5
727.33459	8.5
728.33691	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	727.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63086	8.8
59.01155	8.4
59.01390	93.8
61.98843	100.0
67.75250	8.4
71.01415	48.6
71.56102	14.4
72.79568	9.0
72.99358	9.6
73.02940	11.5
78.95930	10.1
81.85932	11.4
85.02953	29.6
87.00876	10.3
88.98830	11.1
89.02457	33.9
93.03465	15.2
96.96033	95.0
101.02438	28.2
113.02438	20.4
116.21672	8.4
117.03388	16.7
119.05041	65.3
121.02972	14.3
122.39123	9.0
124.37104	10.1
134.03780	12.4
135.04494	12.6
145.02986	15.9
149.06071	15.0
151.03952	9.3
163.04004	65.2
164.04816	16.0
172.15778	9.3
173.04565	19.0
179.05692	11.9
191.05608	29.2
199.09877	14.0
201.11366	11.7
209.11850	41.4
211.07707	27.9
211.13403	19.2
216.80069	9.6
225.11339	30.7
227.12946	23.7
235.08063	15.4
235.17146	11.0
253.09174	15.9
275.20239	26.6
293.21353	81.6
294.21698	17.3
320.50583	10.5
397.13577	92.1
398.13992	10.9
415.14572	44.1
484.63187	11.6
505.31738	14.2
545.18127	14.9
654.22644	10.7
727.32904	70.5
728.34106	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33187	3.9
56.32746	4.9
59.01382	35.7
61.98830	25.7
71.01392	17.1
71.28747	7.4
85.02977	9.6
89.02470	11.6
96.96027	15.3
101.02464	11.5
109.06541	3.8
113.02455	8.5
119.03480	4.8
119.05035	40.1
128.03552	7.2
135.04448	5.0
145.03024	6.2
160.01550	4.5
163.04008	39.9
191.05615	9.4
197.11806	4.6
199.09769	5.3
201.11304	8.7
207.10281	4.8
209.11882	11.2
211.13399	11.0
213.15138	4.6
235.08342	6.3
253.09338	5.7
289.18054	5.2
293.21262	100.0
294.21637	8.7
324.56888	4.6
397.13437	29.0
415.14514	41.3
416.14563	5.0
691.35522	11.4
727.33228	55.4
728.33588	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	727.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.1
57.19552	3.0
59.01389	29.4
61.98840	68.9
64.26902	2.8
68.99570	4.4
71.01378	23.5
71.56972	4.0
73.02946	8.2
74.02497	2.7
78.95908	18.1
79.95794	2.6
81.03481	2.7
83.01411	4.3
83.05035	3.2
85.02966	23.3
87.00877	5.5
88.98808	15.7
89.02454	9.9
93.03465	17.5
96.96025	28.3
101.02455	15.1
105.45931	3.0
108.02203	4.3
109.02976	2.6
112.98584	3.8
113.02444	9.7
117.03474	7.1
119.03522	5.0
119.04253	4.6
119.05038	58.1
120.01278	2.3
120.05401	4.0
121.02956	7.1
125.02427	5.0
129.01947	4.9
132.02139	3.2
134.03746	9.1
134.04784	3.2
135.04526	8.7
137.02457	14.5
142.27042	2.5
145.02942	10.0
147.04599	5.2
148.04135	2.7
149.02419	6.2
149.06136	3.9
150.06879	23.4
151.04051	3.9
152.52910	2.9
153.01949	5.2
160.01649	7.7
161.02414	2.7
161.04582	4.0
162.03239	2.8
163.04022	46.6
163.07655	6.3
164.04695	5.1
164.08401	3.5
166.02664	2.7
167.03543	3.1
168.00645	4.1
173.04648	6.0
175.03989	4.5
179.03487	6.9
179.10757	10.4
179.83707	2.6
190.02698	7.7
191.01976	6.0
191.05632	14.9
193.05005	9.3
201.11320	27.8
205.05070	7.9
209.03014	5.7
209.11856	100.0
210.12143	8.6
227.12930	28.0
235.08069	2.6
253.09187	13.7
302.88126	2.3
329.06677	2.9
343.21268	2.9
368.10486	3.2
437.20309	4.9
445.20889	15.3
477.32040	5.1
504.57437	2.8
505.31784	3.0
523.32745	15.1
547.19434	7.1
565.20605	11.7
629.31641	3.5
637.31860	4.2
667.40588	3.8
727.40790	64.1
728.40692	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.6
61.98834	8.2
69.58247	11.6
69.58652	7.0
71.01381	25.0
73.02991	4.1
74.59466	3.3
78.95908	5.4
80.83176	3.2
85.02957	6.7
87.00891	5.0
89.02462	25.0
91.62615	2.8
97.02956	3.1
101.02464	23.4
113.02506	8.1
117.52502	3.0
119.03490	7.1
125.02467	10.2
129.47806	3.4
132.20554	3.5
167.32430	3.1
168.09319	3.3
171.10316	7.0
179.05647	4.7
191.05722	3.4
209.11920	8.3
210.12303	5.2
235.08218	8.7
253.09312	7.2
269.24850	67.7
270.25131	11.5
277.21802	8.5
279.23181	5.4
280.23547	3.6
287.07626	4.9
397.13547	100.0
398.13770	10.2
415.14703	28.7
727.42987	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	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	35.7
61.98837	1.8
69.51927	3.8
69.72996	0.5
71.01392	4.3
73.02940	0.6
78.95929	0.8
80.96499	0.6
85.02962	0.6
87.00896	0.9
89.02441	2.7
95.01386	0.7
96.96026	0.8
97.06601	0.5
98.19933	1.2
101.02481	3.5
113.02478	2.1
119.03502	0.7
125.09721	1.2
127.11319	1.8
151.11339	3.5
153.09198	1.0
160.07330	0.6
161.04622	0.7
169.12369	32.8
170.12701	2.1
171.10300	83.3
172.10657	3.9
173.04539	0.7
179.05666	0.6
182.75711	0.5
191.05612	0.7
209.11789	0.7
213.11328	3.5
231.12390	3.6
234.94382	0.6
235.08301	1.2
253.09373	3.5
277.21756	31.4
278.22162	3.6
285.47531	0.6
315.20834	0.6
329.69022	0.6
407.19147	1.8
449.20374	1.8
467.21292	2.9
709.41742	4.6
710.41901	0.9
727.42786	100.0
728.43146	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	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74852	1.1
55.89242	1.1
59.01383	33.0
61.98835	2.6
69.42652	1.0
71.01383	4.6
71.56022	1.9
73.02937	1.2
76.19940	1.0
78.81046	1.0
82.33582	1.2
82.95433	5.2
84.95119	6.3
87.00903	1.2
89.02450	2.6
101.02432	3.3
113.02471	2.0
125.02449	1.1
127.11286	2.0
143.89717	1.1
151.11253	1.9
160.16187	1.0
160.95816	1.2
161.04585	1.2
169.12349	24.1
170.12700	1.7
171.10283	44.6
172.10635	1.2
213.11391	1.6
231.12430	2.3
235.08270	1.7
253.09262	3.5
277.21741	60.8
278.22052	7.1
303.71933	1.4
397.13525	1.3
482.15567	1.7
483.15891	1.4
515.15094	1.9
556.18781	7.0
557.18829	2.0
572.56433	1.4
573.16034	2.4
636.84045	1.1
642.23285	1.4
643.23114	3.0
675.22351	2.6
709.41858	4.5
716.23218	1.2
717.94952	1.3
727.42767	100.0
728.43103	22.6
752.37299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11861	0.3
59.01385	13.7
71.01386	1.7
85.02944	0.5
87.00902	0.5
89.02460	1.0
101.02466	1.1
113.02458	0.8
119.03563	0.5
122.09001	0.3
122.27312	0.4
125.09786	1.0
127.11344	1.7
133.25294	0.3
139.09769	0.3
143.03629	0.4
153.09256	0.5
161.04601	0.4
163.55194	0.3
171.10286	100.0
172.10608	4.7
179.05644	0.4
193.56595	0.3
203.05594	0.3
235.08250	1.5
238.46301	0.3
253.09308	5.2
254.09566	0.4
277.21744	48.0
278.22116	4.9
332.89731	0.4
407.14716	0.4
407.19232	2.8
408.19833	0.4
482.33542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37519	0.4
54.04850	0.3
59.01386	19.2
65.70070	0.4
67.75084	0.3
69.02358	0.4
71.01383	1.9
72.02505	0.3
73.02955	0.5
83.01418	0.4
83.05075	0.4
84.68214	0.4
85.02966	1.1
89.02467	1.4
90.07922	0.4
92.04729	0.4
101.02450	1.4
113.02477	0.8
118.67110	0.4
125.09737	0.8
127.11324	1.2
137.87540	0.4
145.05095	0.5
152.99643	0.7
161.04536	0.7
171.10287	84.4
172.10611	4.4
209.11868	1.5
228.99963	0.7
235.08241	3.2
253.09317	7.0
255.23502	0.6
277.21744	100.0
278.22098	10.3
279.23239	0.7
280.23743	0.8
281.24640	1.3
363.47556	0.5
397.07751	0.5
403.62250	0.4
407.19113	1.2
513.30658	1.2
621.33185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29137	0.4
56.24387	0.5
57.05585	0.4
59.01371	1.5
68.25876	0.4
71.01384	1.6
71.57035	0.6
71.57418	0.4
74.99117	0.4
78.29427	0.4
83.05003	0.4
85.02956	4.0
87.00875	2.4
88.53688	0.4
89.02448	1.2
93.03474	3.3
96.81462	0.5
96.96030	2.9
101.02421	0.6
109.02968	1.3
111.00874	0.7
111.04536	1.5
113.02496	0.4
119.05035	0.5
120.85852	0.5
121.02972	1.1
124.08601	0.4
127.04033	0.7
129.01999	0.5
133.02945	4.4
134.03755	6.2
135.04543	26.3
136.04877	1.3
136.98593	0.9
137.02458	1.5
139.04036	0.4
147.04553	0.6
155.03499	1.2
157.04991	0.9
161.02460	12.3
162.02859	0.6
163.03984	0.6
173.04556	3.2
177.01845	0.5
179.03517	24.6
180.03839	1.4
189.01733	4.7
191.05634	35.4
192.05943	2.3
201.01715	16.2
202.02086	0.7
206.28563	0.4
209.03011	0.6
211.80780	0.4
243.06705	0.7
269.04443	0.4
277.88898	0.5
287.09232	1.0
309.07898	0.5
353.08728	3.3
354.09155	0.6
375.06989	100.0
376.07281	8.4
390.39832	0.4
555.11127	1.1
567.13422	2.0
617.08960	0.4
729.16608	3.9
730.16394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38726	0.3
53.37861	0.3
56.21645	0.2
56.50329	0.3
60.03561	0.2
60.30544	0.2
69.56113	1.8
71.01369	0.3
76.17595	0.3
78.44889	0.3
81.03467	0.2
85.02968	1.1
86.47459	0.2
87.00901	0.6
93.03469	1.2
94.63583	0.2
96.96014	0.4
103.61736	0.3
111.00896	0.4
111.04522	0.6
117.03445	0.3
121.02969	0.8
122.87971	0.2
127.04030	0.8
130.08846	0.3
133.02950	1.0
134.03754	10.3
135.04541	18.9
136.04869	0.4
136.98581	0.5
137.02470	0.6
149.02460	0.5
150.03206	0.3
155.03465	0.8
161.02458	3.8
173.04584	2.1
179.03516	21.4
180.03862	0.8
183.00591	0.5
184.65894	0.2
189.01707	11.1
189.03416	0.6
190.02011	0.6
191.05637	2.8
201.01715	36.7
202.02052	1.6
215.03250	0.9
226.52309	0.3
243.02728	0.4
244.31598	0.2
353.08719	0.5
357.05750	0.3
375.06985	100.0
376.07376	7.7
619.83057	0.3
729.15601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01383	4.3
60.13134	0.6
61.98838	7.2
62.40654	0.5
66.91098	0.5
69.37295	0.6
69.37659	4.8
71.01397	3.7
73.02940	0.7
75.00883	0.5
83.01408	1.2
85.02958	2.8
86.64419	0.6
88.98801	2.0
89.02455	1.3
92.88622	0.6
93.03472	4.0
95.01395	0.7
95.05026	0.6
96.96021	8.6
98.19950	1.1
101.02455	2.1
108.02190	2.7
109.02969	1.6
111.00887	1.1
113.02440	1.7
115.32817	0.6
116.92864	1.6
119.05061	1.9
121.02974	4.3
122.03764	7.4
123.04578	0.7
125.02393	0.7
133.02946	1.4
134.03745	1.3
135.04515	1.9
136.01646	1.2
137.02486	2.8
145.02985	0.6
149.02463	11.3
149.06119	0.8
150.03244	55.5
151.00377	0.7
151.03697	2.2
152.01134	2.4
153.01967	1.3
153.05580	0.8
160.01660	1.0
160.90852	0.6
161.02472	4.7
162.03120	0.7
163.04041	2.8
164.04778	2.2
165.05585	57.6
166.05974	2.8
173.04631	1.2
175.03999	1.2
177.01994	0.7
177.05533	0.9
179.03560	0.9
180.04335	4.5
181.05028	0.6
185.02623	0.7
190.02725	0.8
191.05643	2.5
193.05096	1.6
195.06648	29.5
196.06941	2.1
198.03181	0.7
202.02573	0.8
203.03539	1.9
205.04956	0.9
214.02602	0.6
226.02673	2.6
227.03571	6.2
228.03853	0.6
229.01485	1.2
242.02232	0.7
243.02966	2.5
270.01880	3.2
270.99655	1.1
271.02481	13.3
271.05386	0.7
272.02859	0.7
283.06271	1.0
284.03281	0.7
285.04092	7.5
297.04086	1.0
299.01999	38.3
300.02478	3.4
311.05481	1.2
313.03586	11.3
313.06906	0.8
314.04346	47.0
315.04639	4.3
328.05963	2.8
329.06683	100.0
330.07053	10.0
341.08826	0.7
371.07687	1.6
447.09451	0.8
473.10950	0.9
477.11734	4.8
491.12189	1.5
492.29135	0.5
500.26678	0.6
503.08301	2.6
507.13367	0.7
518.10919	1.1
525.14069	62.8
526.14368	11.9
533.13000	7.9
534.13611	1.1
654.44910	0.7
693.33960	1.1
729.39166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68525	0.5
59.01382	3.9
61.98837	24.4
71.01384	4.3
73.02940	1.0
75.00887	0.8
82.95421	0.9
83.01389	0.6
85.02969	2.1
87.00884	1.1
88.98797	1.1
89.02465	1.6
93.03457	4.2
95.01429	0.6
96.96024	6.4
97.02934	0.6
101.02461	2.4
102.16651	0.5
108.02202	2.1
109.02972	1.1
111.00867	0.6
113.02439	1.3
116.92917	0.6
119.01433	0.6
119.05043	2.5
121.02967	5.3
122.03754	7.3
123.00899	0.7
123.04559	1.6
125.02464	0.8
133.02982	1.4
134.03775	1.2
135.04509	1.6
137.02490	2.5
145.02950	1.1
147.04546	0.9
149.02460	11.1
149.06029	0.6
150.03246	46.0
151.00366	0.7
151.03688	2.3
152.01134	1.5
153.01921	1.6
159.04445	0.5
160.01668	1.3
161.02464	4.1
161.04547	1.1
162.03206	0.6
163.04077	2.7
164.04779	2.1
165.05588	53.0
166.02544	0.5
166.05917	2.0
167.03490	0.9
173.04578	1.5
175.00366	1.8
175.04073	1.3
179.03429	1.2
179.07094	0.7
180.04245	3.0
181.05003	0.9
185.02460	0.7
190.02766	4.1
191.01929	1.0
191.03578	1.2
191.05667	2.4
193.05054	2.0
195.06648	31.9
196.06972	1.7
198.03163	1.1
199.04120	0.7
203.03497	1.5
205.05058	4.5
209.04579	1.3
223.06107	1.9
226.02727	3.0
227.03510	5.5
227.12663	0.5
229.01384	0.7
229.64040	0.7
242.02168	0.7
243.02969	2.4
270.01697	2.6
271.02499	12.2
271.05380	0.6
272.02811	1.0
281.06940	0.7
284.03333	0.7
285.04150	6.4
286.04568	1.0
299.02005	31.4
300.02432	3.5
311.07883	0.7
312.46170	0.6
313.03577	11.9
314.04340	37.2
315.04715	3.8
327.05215	0.6
328.05847	2.9
329.06689	100.0
330.07059	9.4
330.10916	0.5
343.46133	0.6
361.16678	2.4
367.10291	5.6
371.07770	1.0
433.25629	0.6
473.10855	0.9
477.12283	0.9
503.08356	3.8
518.10748	2.0
523.02594	0.6
525.14050	32.8
526.14478	6.4
533.13013	14.0
534.13312	2.0
567.18665	0.8
659.85120	0.6
684.88208	0.6
729.28381	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	729.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38657	1.1
57.03456	1.3
59.01385	6.8
61.98843	10.4
65.17308	1.2
71.01389	17.7
72.55315	1.2
72.99302	2.3
73.02961	2.9
78.81725	1.3
83.01382	2.6
85.02972	9.2
87.00891	2.7
89.02447	3.4
91.01934	1.2
93.03451	5.4
93.85754	1.2
94.89474	1.2
95.01392	2.6
96.96014	16.4
96.99316	1.7
97.02950	1.5
98.20730	2.8
101.02441	6.2
107.01376	3.2
108.02173	5.2
109.02967	9.0
111.00890	9.6
113.02437	4.6
115.00381	11.3
119.05030	7.6
121.02986	12.5
122.03706	4.6
123.00874	9.8
123.04568	1.5
124.01691	6.0
125.02442	3.0
127.00407	1.2
127.58581	1.2
129.01938	1.7
132.02176	1.6
133.02968	13.7
134.03755	8.4
135.04475	3.9
137.02461	13.3
138.03201	2.8
139.00388	1.8
139.04007	4.7
145.02960	3.4
146.03722	2.9
147.04567	11.9
148.05276	4.7
149.02406	1.8
149.06071	1.6
150.03209	2.3
151.03996	5.4
152.01180	3.0
153.01952	3.0
153.05617	8.8
155.03456	3.1
159.04485	2.7
160.01634	2.6
160.05270	2.9
161.02483	3.4
161.06046	2.9
162.06844	1.5
163.04015	6.6
165.01994	2.2
165.05545	2.8
166.99881	3.7
168.00591	3.3
173.00848	3.0
173.04507	3.0
175.04012	3.7
175.07600	1.6
177.01915	1.5
177.05472	1.4
178.02715	2.6
179.03490	3.7
181.01440	6.0
181.05150	1.8
182.02208	9.8
183.02992	17.1
190.02690	2.1
191.03577	2.1
191.05589	8.2
193.05058	3.2
195.06570	2.1
197.04576	27.2
197.06207	1.0
198.04778	1.4
205.05066	3.9
207.06708	1.9
212.04741	1.6
213.05583	2.4
223.06123	2.4
225.03925	2.0
240.04294	3.0
241.05142	12.1
241.08820	2.4
242.05621	1.9
251.07333	1.5
252.07854	2.7
253.05061	2.8
254.05826	3.3
255.06581	5.0
256.07468	7.8
267.06586	2.7
268.07373	11.2
269.08270	19.3
270.08792	3.1
271.09814	8.5
272.06854	2.8
282.09100	3.0
283.09790	12.0
284.10544	28.9
285.04141	2.9
285.10977	3.1
297.11304	6.3
298.08142	1.7
298.11758	2.3
299.02008	3.0
299.05365	1.4
299.12848	10.4
301.10379	1.4
313.03622	3.0
313.10901	4.0
314.04175	2.4
326.06296	4.5
327.07382	9.6
328.05869	5.8
329.06659	6.8
337.09070	2.4
341.08786	47.7
342.09079	4.2
343.11694	1.7
357.06134	1.5
367.10538	2.5
369.10333	1.3
447.15717	1.5
471.18408	1.8
525.14001	2.0
531.15112	9.5
561.12482	1.7
599.17590	5.9
613.18982	4.9
685.21442	4.3
729.20300	100.0
730.20721	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	729.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.6
59.01386	12.0
61.98838	9.4
69.91521	1.0
71.01386	11.0
72.99328	1.5
73.02952	2.6
74.02477	1.2
75.00893	1.5
77.03984	1.1
81.19149	1.3
83.01414	2.3
85.02953	13.9
87.00887	2.4
88.98817	2.4
89.02461	4.5
93.03481	9.3
95.01396	1.3
95.05080	1.7
96.96033	11.7
97.02975	1.5
99.00883	1.9
101.02438	5.2
105.03555	1.7
106.04238	1.7
108.02200	4.4
109.02962	5.1
111.00903	3.6
113.02452	5.7
119.03497	1.6
119.05038	4.8
121.02972	52.6
122.03288	2.1
123.00912	3.6
123.04620	2.9
125.02481	3.0
129.01996	2.2
132.02200	2.4
133.02975	29.1
134.03770	44.1
135.04565	14.5
137.02461	42.1
138.03236	2.0
139.00386	2.8
139.04025	12.1
145.02989	3.7
146.03777	2.5
147.03027	2.7
147.04549	3.1
148.01657	1.7
149.02470	9.2
149.06107	4.1
150.03258	13.3
151.04004	2.5
152.01164	3.4
153.01952	3.5
153.05606	2.8
159.04515	4.0
160.01703	4.1
161.02484	8.1
161.04652	1.7
161.06067	2.1
162.03311	6.7
163.03998	6.4
164.04784	3.7
165.01961	1.7
165.05600	10.0
166.02759	3.0
167.03500	1.8
168.00591	1.2
171.04576	2.8
173.04601	3.5
174.03212	1.3
175.00439	1.8
175.04042	6.4
176.04532	2.6
177.01993	4.0
177.05693	5.2
178.02716	25.5
179.03503	8.9
179.07143	3.0
180.04179	1.6
182.02228	2.7
187.04039	1.6
188.04805	1.8
189.05585	1.8
190.02757	4.0
191.02036	5.4
191.03535	4.1
191.05646	6.4
191.07179	1.7
193.05031	15.0
195.06659	5.2
197.04575	3.9
199.03978	1.7
200.04700	1.4
204.04448	1.2
205.05148	6.0
206.05763	1.4
209.03032	3.1
211.04042	1.9
212.04745	1.5
215.03537	6.9
220.03716	2.5
221.08250	1.7
223.06128	3.1
225.00850	1.3
227.03479	4.2
228.04289	3.0
235.02509	3.2
235.06058	7.0
239.03468	2.1
241.08789	2.1
243.06650	1.9
250.04820	4.8
251.07176	2.4
253.04996	2.2
255.02985	2.4
256.03809	5.2
257.04453	2.8
258.05380	2.5
265.07150	10.6
267.06601	3.1
267.36890	1.1
269.08234	7.8
270.05402	3.3
271.06110	24.7
272.06686	2.9
273.07739	1.6
278.05893	1.8
279.06610	8.1
280.07544	1.7
282.09259	1.4
285.04745	1.9
285.07642	10.5
286.08444	20.0
287.09018	2.6
294.09027	2.1
295.06042	6.5
297.07587	1.6
301.10876	3.4
309.07706	1.5
310.08508	3.9
325.10815	7.9
327.05145	1.8
341.09189	4.0
343.11905	1.5
367.10165	2.6
369.09830	28.7
370.10083	2.6
371.11288	1.3
387.10858	42.8
388.11249	6.2
389.12479	1.6
391.12143	1.5
392.12918	1.6
394.40182	1.2
431.13348	1.6
435.14523	77.2
436.14886	10.6
447.09091	2.6
447.14484	4.2
465.15598	20.6
466.15704	1.7
475.18280	1.7
497.14105	1.5
519.16638	100.0
520.17065	14.2
531.16565	9.9
532.16705	1.9
549.17651	35.4
550.17706	5.9
567.18030	1.5
729.30878	4.4
730.28650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42577	1.4
58.00596	1.5
59.01388	22.0
60.81067	1.3
61.16975	1.3
61.98579	1.3
61.98838	15.1
69.67953	8.7
71.01017	1.3
71.01392	18.6
72.99319	3.8
73.02927	1.7
75.00891	3.0
83.01379	3.4
85.02959	10.0
87.00860	2.4
88.98813	2.2
89.02462	10.3
93.03452	6.6
95.01409	2.3
95.04999	1.6
96.96005	7.0
98.20622	2.5
101.02446	8.5
108.02175	1.5
109.02972	5.1
111.00883	5.7
113.02436	4.1
116.92856	2.0
117.03443	1.5
119.03513	3.1
119.05005	5.5
121.02995	7.8
124.01633	2.0
125.02389	1.9
132.13995	1.3
133.02979	21.6
134.03757	32.2
135.04541	65.6
136.01706	2.0
136.04851	2.5
137.02458	24.3
139.04024	8.7
142.34351	1.1
145.02910	2.4
146.03697	1.4
147.04535	2.0
149.02411	4.8
150.03259	6.9
151.04012	2.6
152.01135	3.9
153.01938	2.4
153.05595	2.1
159.04523	2.8
160.01741	1.5
161.02525	7.6
161.04565	2.0
161.05879	1.4
162.03235	28.9
163.04022	11.6
165.01991	1.6
165.05576	5.3
173.04500	4.8
173.05943	2.3
175.04076	2.8
176.04671	1.6
177.01836	3.9
177.05614	13.1
178.02705	16.6
179.03508	40.2
179.07256	1.3
183.02933	1.3
190.02692	2.7
191.02002	2.8
191.05611	5.1
193.05008	7.7
195.06642	3.5
199.04047	3.4
200.04793	3.8
204.04291	1.5
205.05049	4.0
211.03983	6.1
215.03619	1.5
223.06139	2.1
227.03506	3.3
228.04202	4.9
235.06209	2.0
239.03485	5.4
241.05211	1.6
243.06630	2.6
256.03619	7.8
256.07532	1.5
257.04544	8.7
271.06143	29.5
272.06720	9.3
285.04034	5.8
285.07657	6.6
286.08514	22.1
287.09210	18.1
288.09436	1.5
295.05893	2.1
313.10571	1.3
325.10815	1.8
327.12460	1.9
341.10159	5.5
369.09897	13.6
370.10373	3.2
371.11331	7.4
406.38116	1.3
418.15671	1.6
425.12589	9.3
438.28714	1.4
531.16742	7.8
567.11157	1.7
567.19409	2.2
609.92596	1.7
645.22107	14.3
691.89392	1.5
711.22736	2.0
729.23956	100.0
730.24683	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	729.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
57.67485	0.6
57.73800	0.7
59.01386	10.0
61.98837	2.5
65.00332	1.5
67.01900	1.4
68.99837	1.8
69.03471	0.7
69.72678	3.9
71.01392	8.9
72.47525	0.6
72.99311	1.5
73.02959	1.0
83.01403	3.4
85.02956	4.2
87.00913	1.4
88.98819	0.9
89.00350	2.1
89.02450	3.7
91.01881	0.8
92.87447	0.6
93.03482	1.9
95.01413	5.4
96.96040	1.9
97.02938	0.8
99.00878	1.0
101.02503	3.8
106.00612	2.2
106.48006	0.7
108.02195	1.4
109.02970	2.1
110.00163	1.1
111.00874	4.1
112.74259	0.7
113.02454	3.2
119.03532	0.7
119.05054	2.5
121.02977	36.7
121.36170	0.6
122.00111	1.3
122.03357	1.1
123.00901	9.1
124.01649	0.8
125.02447	1.5
125.99604	0.8
127.00382	2.3
134.03769	1.2
135.04559	0.7
136.98851	1.7
137.02464	11.0
137.99597	1.3
138.03210	2.4
139.00395	4.2
139.04010	2.9
145.02985	0.9
150.63675	0.7
152.01131	1.2
153.01961	2.6
153.05600	32.1
154.02704	0.9
154.05951	1.0
155.03522	2.3
160.01706	0.7
161.02461	0.8
163.04037	2.5
166.99858	2.2
168.00612	1.2
170.77979	0.7
173.00832	0.9
173.04584	1.3
175.04033	2.0
176.01260	0.7
179.03508	1.0
181.01451	6.9
182.02222	7.3
183.02988	4.8
190.02823	1.0
191.03600	0.9
191.05600	2.0
193.05109	1.4
195.06715	1.2
196.03795	3.0
197.04582	73.8
198.04903	4.4
205.05099	1.5
211.06145	2.6
223.06207	0.7
224.03267	2.5
225.04065	4.5
237.04199	0.8
239.05646	15.0
283.09619	0.7
285.06271	1.3
299.07700	2.6
337.09259	0.9
341.09052	1.2
523.19196	0.7
531.15118	3.0
729.29950	100.0
730.30377	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	730.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
59.86600	0.2
61.05231	0.1
61.98837	100.0
62.98565	0.2
70.62311	0.3
70.62644	0.3
71.01395	0.2
71.83933	0.1
74.13580	0.2
78.95950	0.2
80.96521	1.4
84.85120	0.2
86.99781	0.2
94.98120	0.3
99.00901	0.2
107.37220	0.1
113.49343	0.1
122.97694	0.2
152.98674	0.2
164.98636	0.2
171.10277	1.7
172.10556	1.0
173.10780	0.4
195.80641	0.2
196.41370	0.2
201.54695	0.2
225.00824	0.3
235.08469	0.2
249.96477	0.2
277.21823	0.8
278.22113	1.0
279.22571	0.3
280.22842	0.2
295.14417	0.2
304.92215	0.2
731.36731	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	730.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
61.98837	100.0
70.86102	0.4
71.01407	0.4
71.77733	0.2
72.83148	0.2
78.95934	0.3
79.95760	0.2
80.96511	1.6
83.01411	0.2
94.66806	0.2
94.98111	0.4
96.96040	0.2
117.82121	0.2
148.99217	0.2
164.98740	0.3
168.40738	0.2
171.10271	1.2
172.10678	0.7
173.10875	0.3
187.04933	0.2
225.00818	0.4
253.09543	0.2
255.23384	0.3
277.21893	0.7
278.22131	1.0
279.22583	0.6
391.82776	0.2
731.36511	2.3
750.42572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2565
Annotation	Fernandoside
Peak:m/z	Relative Intensity
54.82543	0.5
55.01897	0.5
57.03460	1.0
58.02119	0.5
59.01384	5.5
61.98830	6.9
65.00363	0.6
67.01904	1.9
68.99851	0.7
71.01386	9.2
72.99349	0.8
73.02968	1.8
81.03483	0.9
83.01426	1.9
85.02950	3.9
87.00904	1.7
88.98834	1.6
89.02447	2.5
91.01906	3.1
93.03499	1.9
95.01408	2.9
96.96021	6.6
97.03011	1.2
99.00887	0.9
101.02458	6.3
107.01420	2.7
108.02180	8.0
109.02958	4.1
111.00912	2.4
112.98751	0.5
113.02451	3.7
115.00339	0.5
119.03532	0.7
119.05052	1.5
121.02977	1.9
122.03735	0.6
123.00888	4.4
123.04539	11.3
124.01709	0.8
124.04877	0.5
125.02459	3.1
134.03786	1.1
135.04555	1.8
136.01721	1.6
137.02460	6.6
138.03296	1.4
139.00386	1.2
139.04112	0.5
145.03000	2.0
147.04539	2.0
149.02475	1.3
150.03279	2.5
151.00394	7.0
151.04045	3.8
152.01166	11.3
152.04822	1.6
153.01942	4.0
153.05540	1.2
155.10735	0.6
159.04555	0.6
160.01642	1.1
161.02478	1.9
161.04628	0.8
161.05992	1.0
162.03270	0.9
163.04033	4.3
164.04811	1.0
165.02000	1.4
165.05597	2.6
166.02692	2.7
166.06061	0.6
167.03516	38.3
168.03911	1.7
173.04607	1.3
173.06003	0.7
174.01863	0.6
174.03310	2.1
175.02574	0.6
175.04002	11.9
176.04810	2.7
177.05574	1.3
179.03510	2.5
180.04291	7.0
180.33051	0.6
181.05101	1.8
182.02213	1.3
183.02950	0.6
188.04843	1.8
189.05602	4.9
190.02792	1.7
190.06375	13.0
191.03525	0.7
191.05609	1.1
191.07152	8.6
192.04282	0.7
193.05072	7.2
194.05917	5.0
195.03041	0.6
195.06624	1.9
197.04526	2.8
203.07211	1.6
205.05087	0.7
205.08705	10.3
206.05844	0.5
207.06664	4.6
208.07419	6.1
209.04738	0.6
209.08180	0.6
222.08910	0.9
223.09695	0.8
229.57101	0.7
281.06744	0.8
296.05429	5.2
297.05869	1.1
300.02240	0.7
311.07761	100.0
312.08090	7.5
315.04541	1.0
329.06689	1.5
330.07150	1.3
331.07281	1.3
337.07755	1.7
341.08780	8.6
359.15091	3.0
359.19046	0.7
374.13708	1.3
375.14444	6.7
389.16113	24.3
390.16336	2.5
405.15573	7.3
406.15906	0.8
459.84225	0.6
526.14795	0.8
527.14563	1.8
538.23303	0.6
657.10284	0.7
731.25592	19.8
732.25635	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	731.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01384	9.7
67.01880	0.9
69.22038	8.6
71.01391	8.9
72.99315	1.7
73.02961	1.3
75.00870	8.5
80.71329	0.8
85.02956	12.8
87.00891	3.5
89.02447	2.6
93.03464	1.4
95.01389	2.3
96.96004	3.3
99.00893	5.4
100.17286	0.8
101.02480	1.3
101.06094	59.9
102.06473	1.5
103.00352	1.1
103.76163	0.8
104.80789	0.8
109.03021	1.1
111.00922	1.0
113.02459	11.5
115.00377	2.7
117.02003	1.7
117.11064	0.9
118.98170	1.3
119.89824	0.8
121.02934	1.1
121.12035	1.0
129.01976	1.1
131.07126	1.0
135.04524	1.3
137.02481	1.2
159.14922	0.8
173.04648	1.8
179.03635	0.8
181.05066	0.8
191.05653	2.7
209.03093	1.1
210.02559	1.0
227.94354	0.8
231.05083	1.6
249.06181	10.0
267.07101	0.9
325.64954	0.9
333.11884	1.4
351.13000	100.0
352.13428	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	731.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.9
57.03454	4.6
59.01387	79.6
61.98839	100.0
69.03496	2.1
69.82474	7.9
69.82890	2.4
71.01392	58.6
72.99300	2.0
73.02963	12.2
75.00891	1.7
78.95942	2.4
83.01397	8.5
83.05019	2.2
85.02960	28.9
87.00892	7.7
88.98839	3.3
89.02457	27.1
93.03477	8.8
95.01405	7.8
96.96026	13.3
97.02975	2.6
99.00887	5.6
101.02463	36.0
106.47588	1.7
108.02176	5.1
109.02952	11.9
111.00919	2.7
113.02466	33.2
116.92859	2.6
119.03558	10.8
119.05056	5.8
121.02966	5.5
123.00877	1.9
124.01690	2.6
125.02422	5.3
129.02020	2.2
134.03793	3.5
135.04529	6.1
136.46378	1.6
137.02448	12.8
138.03319	1.7
139.04088	2.3
143.03508	5.3
147.97780	1.7
148.05357	4.2
149.02470	5.7
151.00362	4.7
151.04015	4.3
153.01927	3.8
161.02435	2.3
161.04581	18.1
163.04045	9.3
164.04753	5.5
165.01869	1.9
165.05556	3.8
166.02757	2.3
167.03593	2.9
173.04558	6.4
175.00404	2.6
175.04077	2.4
178.06390	8.5
179.03545	3.2
179.05627	6.8
179.06984	4.1
190.02708	2.6
191.05655	6.7
193.05103	3.7
193.08705	10.8
195.06625	2.2
205.05081	2.0
214.79829	1.7
223.06267	2.7
229.03471	4.2
229.14323	2.2
237.66229	1.9
271.08322	6.9
306.01422	1.7
329.06735	2.2
339.07281	12.9
342.10669	1.9
393.11536	2.2
411.11209	1.9
423.13080	7.5
465.28406	3.2
483.29819	2.5
501.12628	2.3
523.85114	1.9
619.62396	1.8
627.33942	43.6
628.33960	8.2
645.35065	43.0
646.35315	8.7
687.36200	5.5
695.35663	1.8
731.39020	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.8
57.03456	6.2
58.00591	2.5
59.01387	100.0
61.98839	54.3
68.62662	1.2
71.01392	70.2
71.56177	1.7
72.99310	5.5
73.02956	16.5
78.95937	1.8
79.95738	1.2
82.95468	1.2
83.01405	10.2
84.02166	1.3
85.02965	28.5
86.03283	1.6
87.00877	5.6
88.32021	1.4
88.98866	1.6
89.01929	2.5
89.02457	34.9
93.03458	5.0
95.01398	7.6
95.78950	1.4
96.96026	12.9
97.02948	2.8
97.06627	1.6
99.00895	4.3
101.02454	36.0
109.02950	4.1
111.00880	3.0
111.04575	1.5
113.02464	38.4
119.03534	14.5
119.04964	1.9
121.02965	5.1
123.00926	1.5
123.04522	1.8
124.01646	2.5
125.02454	5.1
129.01973	1.6
131.03506	2.5
134.03752	2.5
135.04549	3.6
136.01642	1.5
137.02477	7.2
139.04047	1.6
143.03470	5.4
148.05388	1.5
149.02446	2.9
149.04572	1.8
151.04031	2.1
152.01170	2.7
159.03003	1.5
161.02423	1.7
161.04576	12.4
163.03976	2.3
163.07687	2.1
164.04799	5.7
165.05563	1.8
167.03603	1.7
172.05286	2.2
173.04555	4.2
175.04012	1.4
179.03462	2.7
179.05618	6.7
179.07043	3.1
190.02791	1.9
191.05707	6.9
193.05037	2.1
195.06606	1.5
205.05028	3.3
209.11758	1.7
271.09821	2.3
301.09369	1.6
311.93597	1.4
331.06888	2.2
369.08218	1.9
373.67606	1.6
389.15936	1.4
399.16684	2.8
465.28406	4.2
483.29626	5.7
533.34698	4.1
627.33881	69.6
628.34265	18.3
645.34900	58.5
646.35181	12.4
687.36206	10.4
688.36426	2.6
747.23505	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	731.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	4.0
61.98836	100.0
63.99259	1.7
71.01389	4.4
73.92182	1.8
78.98608	2.4
79.95734	5.8
80.96519	25.8
83.46991	2.0
94.16268	2.0
94.98079	7.1
134.72099	2.0
152.98553	2.9
162.95769	1.9
164.98584	4.0
205.62407	1.9
225.00763	4.8
229.17467	2.6
303.15137	1.8
394.76556	1.9
453.14297	2.0
731.36603	36.3
732.25909	2.2
732.36420	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	732.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00608	0.8
59.01378	6.0
60.23901	0.7
61.57391	0.8
61.98836	21.8
66.82961	0.8
69.50523	0.8
70.93449	0.7
71.01395	5.8
72.99340	1.0
73.02949	1.6
75.00910	0.8
82.02997	1.8
85.02982	3.8
87.00864	0.9
88.98790	1.2
89.02433	1.1
93.03473	4.0
95.01408	1.2
96.96018	8.8
101.02451	2.7
103.05572	0.8
108.02171	2.3
109.02941	2.3
111.00867	1.7
113.02461	2.5
116.92856	1.1
117.03489	7.4
119.05028	1.7
121.02954	2.2
125.02470	1.8
133.03004	0.9
134.03728	1.3
135.04517	3.5
137.02437	3.3
143.05060	1.0
145.02962	0.9
145.06619	0.8
147.04532	1.3
149.02463	0.8
149.06165	0.9
150.03262	1.2
151.00232	0.9
151.04030	1.0
152.01213	1.5
153.01910	1.7
155.03499	0.8
160.01677	1.0
161.02437	2.0
161.04584	0.9
163.03877	1.0
164.04790	1.2
165.01938	0.7
165.05522	1.5
167.03296	0.9
168.00665	1.0
173.04562	3.9
175.02531	0.8
175.04018	2.6
177.02095	0.9
178.02788	0.8
179.03477	1.5
179.07097	0.9
187.04036	1.3
189.05571	1.3
190.02809	1.5
191.01932	0.8
191.03825	0.8
191.05594	4.4
193.05054	2.0
197.04482	1.4
201.05530	0.9
203.03404	1.0
205.05045	1.4
217.05093	1.6
221.56287	0.8
229.01479	2.1
231.03076	1.0
237.05441	1.0
253.05215	0.9
265.04822	1.0
280.07172	1.9
281.08289	1.3
282.05325	1.0
282.08716	1.2
283.06229	1.5
293.08090	1.1
295.06146	3.8
295.09393	1.2
307.06189	6.4
308.06839	2.8
309.04291	1.6
309.07697	20.1
309.11218	1.1
310.08148	2.3
319.06094	2.6
320.06787	1.1
321.07672	4.7
323.05566	2.2
323.09225	1.9
335.05389	1.0
337.07202	46.3
338.07483	5.5
340.05939	1.5
341.06287	1.1
341.10266	1.3
349.07135	17.4
350.07623	1.5
353.06723	1.3
365.06696	1.0
366.06744	1.0
367.08249	21.4
368.08481	1.5
379.08133	7.1
380.08701	1.1
404.11215	1.3
406.12830	5.5
409.09351	1.1
416.10852	0.9
432.10846	5.7
436.14243	1.9
444.10458	0.9
444.93124	0.8
448.13995	1.1
450.11719	1.2
457.11325	7.0
458.11734	1.2
462.11841	2.7
465.15564	1.7
469.11353	3.4
501.10156	1.1
526.17047	1.3
552.14996	5.3
553.15100	1.5
570.16217	3.3
612.17224	7.2
623.13318	1.2
642.18317	1.7
669.18420	10.5
669.83655	1.0
670.18640	2.8
714.20227	1.1
732.21454	100.0
733.21405	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	734.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89816	1.2
59.01386	4.2
66.38531	1.3
69.48413	1.2
71.01379	7.0
71.07220	2.1
71.07549	2.0
85.02958	9.2
89.02412	2.1
93.03489	7.1
94.97260	1.3
96.96031	5.3
107.05048	1.5
111.04533	2.9
127.04064	1.6
128.07111	2.0
133.02971	3.0
134.03752	5.1
135.04538	46.7
146.08244	11.3
161.02475	3.0
173.00925	1.4
173.04575	11.9
179.03513	40.5
180.03926	1.9
191.05626	100.0
192.06013	3.2
201.01704	1.7
227.43465	1.3
340.01788	1.3
345.33585	1.4
353.08795	64.0
354.09259	6.6
375.06824	3.8
380.15665	31.5
381.15900	4.0
468.09106	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	734.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61493	0.2
58.60128	0.2
59.01387	0.9
61.98838	100.0
70.01820	0.4
70.02217	0.5
71.01404	0.6
75.61619	0.2
85.02981	0.4
93.03463	0.3
96.96017	1.3
101.02454	0.3
113.02452	0.4
119.05065	0.4
134.86977	0.2
135.04599	0.3
140.08206	0.2
173.04649	0.3
179.03455	0.2
209.11896	0.3
210.12254	0.3
211.13672	0.2
268.00095	0.2
351.05832	0.2
413.05142	0.2
526.81555	0.3
735.40741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
59.01383	1.5
60.75341	0.1
61.98829	0.4
67.01890	0.5
69.19539	1.0
69.19940	0.2
71.01380	1.2
71.22758	0.1
71.37238	0.1
73.02963	0.3
78.95906	0.4
79.95748	3.8
83.01396	0.2
85.02953	0.7
87.00872	0.2
89.02448	0.5
93.03465	2.8
95.08981	0.1
96.96023	100.0
97.95956	0.6
101.02459	0.4
109.02969	0.3
111.00881	1.3
111.04542	0.4
113.02475	0.4
120.46984	0.1
123.00900	0.1
123.04545	0.3
133.02991	0.3
134.03737	1.0
135.04541	0.4
137.02472	0.7
143.33736	0.1
146.03719	0.1
147.04694	0.1
149.06110	0.3
150.03192	0.1
151.00323	0.2
155.03482	0.5
160.01689	0.2
161.02495	0.2
161.04594	0.2
165.01816	0.2
165.05478	0.1
167.03506	1.0
173.04572	7.8
174.04881	0.3
175.04028	0.2
176.01115	0.2
176.04703	0.2
177.05568	0.3
178.02763	0.3
179.03526	0.2
181.05122	0.2
190.02753	0.4
191.03577	0.3
191.05643	0.9
192.04347	0.2
193.05031	0.8
195.06650	0.2
205.05025	0.6
209.04602	0.2
212.93188	0.1
213.23961	0.1
223.05952	0.2
230.61317	0.1
242.02861	0.1
253.46686	0.1
313.10950	0.3
314.04346	0.2
329.06720	0.2
343.12146	0.2
353.08868	0.3
363.20364	0.1
367.10355	0.3
387.11038	0.5
561.16022	1.3
562.16516	0.2
580.83118	0.1
637.17633	0.2
692.18054	0.1
699.28796	1.1
700.29169	0.1
708.05133	0.1
735.20990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
57.84891	1.1
59.01376	3.7
64.33270	1.1
67.01890	5.5
68.65129	1.2
71.01399	5.4
71.55548	1.9
73.02929	1.5
74.99072	1.4
81.03484	1.7
83.05044	2.7
85.02959	7.9
87.00891	2.0
89.02489	1.3
93.03470	27.1
96.96020	5.5
99.23100	1.1
101.02474	1.5
108.02188	1.3
111.04520	5.7
114.85936	1.3
117.03522	1.6
121.02928	2.7
123.04556	2.2
134.03743	21.8
135.04427	1.5
135.13548	1.3
137.02438	5.2
149.06096	4.0
155.03484	4.4
159.04416	1.9
173.04565	100.0
174.04901	4.9
179.86174	1.2
190.02702	1.7
191.05621	51.0
192.05942	1.8
193.05110	18.3
249.06255	1.4
281.08212	1.5
282.08957	1.6
289.09467	1.2
297.78928	1.3
310.08334	1.5
367.06171	2.1
367.10397	23.3
368.10620	2.2
371.09738	3.6
381.19128	2.5
387.10864	23.6
388.11032	1.9
448.17142	1.3
561.16107	5.8
735.22180	6.7
736.22748	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	735.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81474	0.4
57.03437	1.3
59.01107	0.5
59.01385	7.0
60.99305	0.6
61.98833	0.5
67.01897	5.7
69.03461	1.2
71.01389	7.4
71.56595	0.5
72.99313	0.6
73.02950	2.3
81.03448	1.1
81.53871	0.5
83.01385	1.0
83.05021	1.5
85.02950	1.7
87.00901	1.2
89.02444	1.3
93.03468	35.3
94.03812	1.2
95.01402	0.5
96.96026	2.9
98.49329	0.4
101.02457	3.2
108.02163	0.6
109.02950	1.4
110.73368	0.4
111.00883	2.3
111.04543	6.2
113.02470	1.6
119.01365	0.5
119.03495	0.5
121.03008	0.9
125.02464	0.7
127.04031	0.7
133.02953	1.0
134.03748	12.9
134.04735	0.9
135.04619	0.7
137.02460	7.9
139.04025	0.8
145.07721	0.8
149.02417	1.1
149.04497	0.4
149.04976	0.4
149.06116	4.1
150.03223	1.0
152.01151	0.8
155.03522	5.0
161.04530	0.9
163.04065	0.5
164.04836	2.1
165.01958	0.5
165.05479	0.5
173.04558	100.0
174.04887	3.4
175.00354	2.5
175.03983	0.7
176.01144	1.2
177.01901	0.5
178.02719	11.3
179.03346	1.2
179.07109	0.8
181.05035	0.4
188.08263	0.5
190.02734	8.4
191.03412	1.2
191.05646	2.6
192.04280	0.9
193.05061	25.1
194.05518	1.3
195.06619	0.5
197.04507	0.6
201.88702	0.4
205.05067	8.2
206.05435	0.5
211.90141	0.4
223.06180	1.3
285.22818	0.5
304.69449	0.4
322.14102	1.6
353.08829	1.5
367.10376	13.0
368.10773	1.0
405.48676	0.4
417.15723	0.7
561.16168	20.8
562.16455	3.8
735.21179	5.8
736.21887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71311	0.7
59.01382	8.1
61.98829	1.9
67.01900	1.5
67.73595	0.9
69.28085	3.6
69.28514	4.3
71.01379	5.8
73.02958	1.5
81.03507	1.1
83.05038	2.2
85.02956	2.2
87.00880	3.1
89.02447	1.7
93.03467	20.9
94.03844	0.9
96.96037	6.4
99.48279	0.9
101.02478	2.3
107.05051	1.0
109.02945	1.4
111.00872	1.0
111.04536	8.0
113.02459	1.7
119.01396	2.5
119.03518	0.9
121.02959	3.6
127.04036	1.3
129.02014	0.9
133.02975	3.2
134.03763	58.8
135.04128	2.5
137.02452	14.7
139.04018	4.3
149.02466	5.9
149.06102	21.2
150.03226	3.6
151.00403	0.7
151.04024	3.8
152.01170	1.8
153.01990	1.0
155.03532	9.7
161.02448	1.5
163.04018	1.5
164.04796	3.9
165.01941	1.6
165.05508	1.5
173.04573	46.2
174.04935	1.8
175.00386	11.7
175.04047	1.6
176.01135	2.9
177.01941	0.9
178.02740	42.3
179.03204	3.1
179.07144	1.7
190.02750	29.9
191.03540	5.3
191.05502	5.2
192.04375	4.1
192.05911	0.8
193.05083	100.0
194.05479	5.5
205.05089	30.1
206.05476	2.8
207.06644	2.0
209.04631	1.6
223.06146	5.0
224.96393	0.9
281.06635	1.9
353.08847	7.2
367.10364	38.3
368.10709	3.4
514.05762	0.9
561.16193	64.4
562.08698	1.4
562.16541	12.7
735.20947	8.6
736.21802	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	735.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64872	2.0
54.13424	1.6
58.00608	2.3
59.01386	41.1
69.03477	3.4
70.29989	1.7
70.30357	7.1
71.01394	31.5
71.63840	1.9
73.02959	5.2
83.01398	6.1
85.02973	8.3
87.00906	6.6
89.02460	28.2
95.01358	2.1
97.02983	5.4
99.00932	2.3
101.02465	21.6
101.75272	2.1
113.02470	13.0
119.03532	7.2
125.02460	10.5
143.03485	6.6
161.04591	6.4
163.27397	1.9
179.05612	5.2
221.06590	2.4
235.08276	12.9
253.09250	2.6
266.93896	1.8
277.21735	82.6
278.22147	8.1
305.08899	2.9
397.13519	100.0
398.13876	9.4
415.14648	42.2
415.19919	1.4
416.15076	3.1
675.36151	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03457	0.4
59.01385	6.4
61.98836	100.0
62.84047	0.2
62.98551	0.4
71.01391	4.0
71.56772	0.4
71.92705	0.3
73.02971	0.9
77.99453	0.3
79.95730	0.4
80.96538	0.3
82.95448	0.3
83.01403	0.8
85.02959	2.1
87.00898	0.9
88.98814	0.3
89.02468	1.0
90.62624	0.3
93.03467	0.9
95.01404	0.6
96.96024	3.6
99.00909	1.0
99.04630	0.3
101.02454	2.5
111.00919	0.6
113.02463	1.7
117.69447	0.2
119.03529	0.4
120.01222	0.4
125.02462	0.5
133.03017	0.3
135.04465	0.4
137.02473	1.0
143.03502	0.4
161.02457	0.3
163.07707	0.3
171.10284	0.7
173.04597	0.6
191.05638	1.3
191.07246	0.3
205.05263	0.4
207.10327	0.7
209.11948	0.7
222.53244	0.3
225.11406	0.6
227.80984	0.3
309.18637	0.3
402.64221	0.3
471.32932	0.4
489.34323	0.4
530.12561	0.3
633.29327	0.6
633.38757	6.6
651.39600	3.8
687.32874	0.6
693.41187	1.4
736.40588	0.4
737.37708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55781	0.6
53.07951	0.7
57.03426	0.6
58.02993	0.6
59.01378	3.0
61.98842	0.7
62.88946	0.6
70.02987	0.7
70.95496	0.6
71.01379	2.2
71.56348	1.3
74.02483	3.6
77.04000	0.7
83.01347	0.6
83.01826	0.6
85.02972	4.1
87.00866	0.6
93.03461	2.6
93.83357	0.7
96.96017	3.9
97.02963	1.2
98.02468	0.7
101.02450	0.6
109.02955	2.9
111.00880	1.1
111.04576	0.8
113.02434	1.1
116.05132	1.4
119.03490	0.7
119.05004	1.0
121.02973	1.9
123.00880	0.7
125.02473	1.4
129.01971	0.7
131.54274	0.6
133.02060	1.0
133.02971	12.9
134.03705	1.1
135.04568	3.0
136.01643	0.7
137.02434	1.9
145.02982	0.6
147.04472	0.9
149.02454	1.9
151.03984	1.0
155.03471	0.8
161.02414	2.3
161.04544	0.8
163.00322	1.6
163.04001	3.1
165.01918	1.7
173.00830	0.9
173.02344	0.9
173.04558	3.3
175.03992	2.7
177.01900	2.0
179.03482	2.2
191.01933	2.2
191.03535	1.7
191.05566	4.6
193.01593	1.1
193.05159	0.7
199.04089	0.9
201.02013	1.4
203.08331	3.6
209.06033	0.8
213.05565	1.5
215.03316	0.6
225.05725	0.8
227.07169	0.9
240.04385	1.0
241.05067	1.1
245.09291	6.9
253.05019	1.5
255.06783	1.2
269.04379	0.8
281.04935	0.7
284.03311	8.0
285.04074	6.4
297.04074	16.2
297.07208	1.3
298.04816	8.1
299.05609	18.4
300.05917	1.9
309.04065	1.0
311.05600	2.3
325.03491	1.1
327.05118	100.0
328.05414	9.1
339.05057	2.8
341.06622	1.2
341.10809	0.7
353.06671	2.2
357.06183	26.2
358.06421	2.3
369.06274	1.8
383.07736	2.6
393.06274	1.0
411.07556	0.8
447.09360	96.8
448.09662	12.6
474.09378	0.6
480.38007	0.8
623.96326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46277	2.4
57.03427	4.0
59.01384	65.7
59.83536	2.3
61.98837	51.1
65.81154	1.9
67.01873	2.3
69.03484	3.8
71.01391	53.2
71.58266	2.1
72.99300	7.7
73.02969	5.0
75.00883	3.3
83.01397	8.8
85.02946	19.0
87.00890	5.5
88.98801	7.3
89.02447	47.5
93.03477	13.5
95.01366	6.5
95.05041	2.1
96.96021	32.3
99.00870	2.7
101.02452	35.6
108.02171	3.4
111.00890	3.3
113.02470	25.9
119.01403	5.2
119.03490	17.4
119.04999	4.0
121.02963	10.4
125.02484	3.7
133.02953	3.2
134.03795	5.0
135.04582	11.7
137.02446	13.0
145.02940	3.2
147.00908	6.5
147.04497	3.5
149.02444	21.1
149.59752	2.2
150.03224	3.5
152.01158	2.6
161.02428	5.7
161.04518	7.7
163.04002	10.4
164.04796	20.4
165.01933	2.9
165.05620	4.0
169.05074	3.1
169.12337	3.2
173.04568	5.0
175.00388	31.4
175.03954	4.2
176.01122	2.5
179.03465	4.3
179.05695	5.5
179.07115	5.9
190.02733	76.2
191.03392	7.9
191.05586	14.5
193.05074	3.6
195.06694	4.3
197.11841	4.4
201.11299	5.7
205.05081	58.8
206.05736	10.6
208.03772	2.9
209.11798	6.3
221.08195	10.0
223.06116	25.8
237.07729	3.6
265.07220	38.0
266.07657	3.5
266.79938	2.6
295.08121	5.8
315.10852	5.9
325.09341	6.7
329.06561	5.5
385.11252	4.4
385.18164	3.3
429.82889	2.5
453.17798	13.5
557.23932	100.0
558.24292	21.8
612.59119	2.6
657.23969	3.4
693.29700	4.8
737.29614	53.3
738.30170	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03454	4.7
59.01387	60.2
60.01714	1.2
61.56678	1.1
61.98837	100.0
69.03474	1.9
69.48174	8.0
71.01390	43.6
72.99317	3.0
73.02953	9.3
78.95952	1.2
80.21175	1.0
80.96517	1.8
83.01394	7.9
83.05049	1.0
85.02966	26.6
87.00903	3.4
88.98795	1.7
89.02462	7.9
93.03480	4.3
95.01402	5.5
96.96023	7.9
97.02980	2.2
98.19872	1.4
99.00871	7.6
101.02453	26.3
108.02184	1.3
109.02950	1.1
111.00871	6.2
112.01682	1.1
112.48244	1.1
113.02464	17.7
119.03535	2.1
120.01315	1.1
121.02931	1.2
124.01673	1.8
125.02467	6.2
129.01965	2.0
133.08191	1.0
134.03784	1.9
137.02457	4.8
143.03520	3.1
159.02959	2.5
161.04610	5.1
163.03993	2.1
164.04768	1.2
171.10312	2.2
173.04572	2.5
179.05733	1.5
181.12358	1.4
190.02756	2.5
191.05598	7.2
193.05020	1.4
197.11806	2.0
199.13435	2.6
207.10309	3.8
209.11873	2.9
225.11342	4.1
243.12273	1.3
327.29169	2.4
350.53888	1.3
471.33072	5.0
489.34286	7.2
633.38672	87.7
634.38849	18.0
651.39618	63.5
652.39856	12.4
687.32501	4.0
693.40771	17.2
694.41223	3.2
737.29236	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01383	5.9
61.98841	2.4
65.60193	0.4
69.03466	3.7
70.04349	2.1
71.01386	5.6
71.05042	2.0
73.02956	1.0
77.21796	0.4
78.95924	0.5
83.01386	0.8
83.05026	0.5
85.02969	1.4
87.00867	1.1
89.02441	2.7
96.95998	0.7
97.06631	0.9
101.02447	4.2
110.86095	0.5
111.04486	0.8
111.43493	0.5
113.02476	1.6
118.25153	0.5
119.03548	0.7
119.88924	0.4
122.66284	0.4
123.08203	1.1
125.02561	0.5
125.09727	1.6
137.09691	0.5
151.11264	2.3
153.12862	1.6
161.04567	1.0
161.09726	2.2
169.12360	5.4
171.10342	0.9
179.10789	6.1
197.11844	85.0
198.12175	4.5
204.74899	0.6
205.08705	1.9
209.49477	0.6
223.09770	3.9
225.11452	0.5
235.08226	1.1
241.10779	3.1
253.09337	4.0
277.21738	34.9
278.22101	3.8
279.23294	1.4
337.39737	0.5
433.21371	0.6
459.18857	1.4
477.19693	2.7
506.72638	0.5
641.15839	0.5
719.40570	1.1
737.41205	100.0
738.41516	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	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
56.73849	0.7
57.03447	0.8
57.45362	0.8
58.66222	0.7
59.01387	5.3
61.98833	1.4
69.03459	4.3
70.78400	1.6
70.78744	0.9
71.01397	4.3
71.05003	0.9
73.02947	1.5
83.05020	0.9
85.02950	1.2
87.00859	1.3
89.02431	2.3
101.02458	3.6
113.02457	1.5
125.09693	1.4
151.11261	3.1
161.04541	1.3
161.09720	2.9
169.12370	4.0
179.10791	7.9
197.11848	47.7
198.12088	2.5
210.68993	0.7
223.09692	1.5
233.42596	1.0
241.10876	1.5
253.09206	2.5
277.21744	49.8
278.22125	4.3
290.05130	0.7
459.18655	0.9
477.19876	1.6
737.41211	100.0
738.41498	23.1
744.30188	0.8
748.61414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.3
61.98828	0.5
79.76309	0.5
81.03473	4.2
83.05035	12.7
85.02950	0.7
93.03482	0.8
96.96007	0.7
108.04572	0.6
111.00923	0.5
125.07222	0.7
126.05542	0.5
126.27966	0.5
136.68480	0.5
173.04573	1.0
181.05017	0.5
207.15088	1.2
224.17671	2.0
225.14015	0.9
225.16112	10.5
242.18687	0.6
285.37781	0.5
309.21915	0.6
322.67151	0.5
333.71280	0.5
341.29257	0.7
367.27182	0.7
405.84222	0.6
407.33728	0.6
433.31815	1.1
450.34299	1.1
451.32977	6.4
452.33441	0.6
550.43152	0.8
576.39575	0.6
593.44159	0.7
659.48730	1.7
677.49738	100.0
678.50085	24.5
678.59192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.2
71.56371	1.3
78.95921	4.0
104.37344	1.2
113.56319	1.1
133.62741	1.1
148.86409	1.1
152.99553	2.6
158.68857	1.2
171.80243	1.2
180.51620	1.3
187.21146	1.1
194.69162	1.1
221.98836	1.1
277.21411	1.2
279.23315	55.8
279.26428	2.8
280.23660	4.3
293.21243	1.5
457.36905	100.0
458.37314	16.8
738.50439	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	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
59.73757	0.1
60.01693	0.1
61.98837	100.0
62.51051	0.1
62.98543	0.3
70.28841	0.3
71.01396	0.3
81.12457	0.1
89.02455	0.2
89.71452	0.1
98.20575	0.1
101.02448	0.2
105.32968	0.1
113.02453	0.1
125.02439	0.1
132.64493	0.1
143.03532	0.1
211.13614	0.1
277.21857	0.3
278.22153	0.5
279.22531	0.3
393.51804	0.1
397.13354	0.2
398.13882	0.3
399.14096	0.5
400.14584	0.2
416.15228	0.1
417.15143	0.3
418.15463	0.1
435.95880	0.1
439.72830	0.1
528.69812	0.1
536.00946	0.1
635.62427	0.1
745.49945	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	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98837	100.0
69.98434	0.4
71.01396	0.5
77.64921	0.1
82.23083	0.1
85.02970	0.2
89.02468	0.3
90.02783	0.1
101.02471	0.4
113.02451	0.2
125.02457	0.1
135.74304	0.1
143.69078	0.1
148.35080	0.1
209.11862	1.0
211.13376	0.1
216.06000	0.1
227.12943	0.1
253.09459	0.2
275.20190	0.1
277.19211	0.1
277.21722	0.5
278.22058	0.6
279.22781	0.3
293.21259	0.4
309.20789	0.1
397.13736	0.3
398.13928	0.5
399.14041	0.6
400.14423	0.4
416.15085	0.1
417.15198	0.4
418.15387	0.2
435.49719	0.1
571.74780	0.1
599.15912	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	739.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03457	9.8
59.01390	5.9
65.31713	1.4
67.01912	1.3
69.75993	2.7
69.76405	5.0
70.40005	1.4
71.01390	5.9
72.99313	4.3
75.00885	2.2
83.01398	1.9
84.02168	2.7
85.02961	100.0
86.03302	2.7
87.00880	2.9
93.03469	6.4
101.02428	1.9
109.02961	2.3
111.00919	5.4
111.04549	3.0
121.02975	2.9
123.04519	1.7
127.04067	2.3
129.01961	10.0
133.02983	4.3
134.03793	7.4
135.04547	28.9
136.04855	1.9
137.02409	4.3
139.04060	1.9
147.02992	8.9
149.02412	4.1
151.03969	2.4
161.02437	2.4
167.03490	2.6
173.00905	1.5
173.04561	9.6
177.01895	1.8
179.03516	32.2
180.03860	2.2
191.01994	50.1
191.05627	77.0
192.02324	2.3
192.05977	3.2
193.01488	3.5
205.03551	5.9
209.03050	8.7
211.02443	1.9
211.06134	1.5
217.28906	1.7
223.04607	36.5
229.04646	1.4
353.08789	42.0
354.09055	4.1
367.06677	3.0
385.07681	26.4
386.07849	3.2
397.11133	1.5
739.20544	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	739.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07882	0.3
57.03438	0.3
59.01381	2.7
59.38906	0.2
60.99318	0.4
61.98835	2.7
65.03635	0.3
65.03970	4.1
67.01901	1.9
69.34183	2.0
71.01388	4.6
72.12674	0.2
72.99294	0.3
73.02954	0.7
75.00871	0.3
76.01450	0.2
76.90933	0.3
80.96551	0.5
83.01386	0.6
85.02955	1.5
87.00874	0.6
88.98824	0.6
89.02454	0.7
91.01903	1.6
93.03475	1.3
95.01390	0.4
96.96030	2.1
99.00925	0.3
101.02446	1.7
108.02206	0.3
109.02962	54.2
110.03279	1.7
113.02463	1.4
114.92738	0.2
116.92874	0.4
119.05040	1.9
121.02956	0.5
125.02426	0.4
134.03748	0.3
135.00894	10.0
135.04553	0.7
137.02469	2.4
149.02509	0.4
153.01949	100.0
154.02274	3.8
159.03003	0.4
161.04527	1.1
161.60689	0.2
163.04027	5.0
164.04626	0.4
171.10255	2.0
173.04568	0.8
175.03993	0.3
177.01997	0.6
178.06367	2.7
179.03481	0.3
190.01216	0.2
190.02779	0.7
191.05614	0.9
193.08693	1.6
199.09761	0.3
200.38004	0.2
201.11307	0.7
205.04980	0.6
207.10278	0.5
209.11858	2.4
215.07071	0.3
216.45073	0.3
223.06219	0.5
225.11353	0.6
253.05141	0.3
268.07324	0.3
271.08270	0.8
272.09030	0.2
281.07004	0.3
311.09476	0.3
315.07230	15.6
316.07608	1.4
339.08960	1.3
354.11038	0.3
367.10162	0.3
369.13403	0.3
383.06168	4.5
384.06567	0.4
413.12469	1.9
619.38275	0.5
659.73608	0.3
739.21429	1.5
739.31781	0.7
740.21191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61661	0.3
57.03458	0.4
59.01381	3.7
59.37344	0.4
61.98833	4.0
63.63011	0.4
69.03453	1.6
70.35798	0.9
70.36153	0.7
71.01398	5.4
73.02950	1.5
75.00878	0.4
79.01904	0.7
81.03481	1.0
83.01402	1.1
85.02954	4.3
88.98809	0.5
89.02465	1.5
93.03466	2.0
95.01379	2.1
96.96022	3.2
97.02951	0.5
99.00911	0.8
101.02440	2.1
105.03481	0.4
107.01434	1.0
107.05038	0.4
108.02184	71.3
109.02984	30.2
110.03292	1.1
113.02464	2.2
119.05058	0.8
121.02962	2.8
123.00892	1.7
123.04527	1.5
125.02454	1.2
132.02194	0.9
133.02971	3.1
134.03738	0.5
135.00908	4.3
135.04518	1.8
137.02472	1.3
145.02980	0.4
149.02423	1.4
151.04059	2.5
152.01164	72.1
153.01956	34.7
154.02260	1.0
160.93130	0.3
161.02399	1.2
161.04515	0.7
163.04022	6.1
164.04771	1.4
165.01994	2.8
165.05620	0.6
171.10446	0.3
171.55353	0.3
173.04611	0.8
175.00340	0.7
175.04021	0.7
176.01161	1.6
177.01942	33.1
178.02277	1.8
178.06351	2.9
179.03561	0.6
179.07117	0.6
181.05113	0.6
190.02768	1.3
191.03532	1.0
191.05626	1.2
193.04922	0.4
193.08707	1.3
195.03020	0.6
201.21155	0.4
205.05035	1.4
219.02957	0.7
223.06108	0.8
225.04025	0.5
249.03908	0.5
265.07294	0.5
279.06516	0.5
297.06451	0.4
315.07236	100.0
316.07578	6.6
339.07205	52.0
340.07532	5.2
341.23303	2.0
353.09985	0.4
357.08221	0.7
367.10333	0.6
383.06223	39.6
384.06433	3.8
387.16760	0.6
401.07220	8.1
402.07431	0.7
415.14828	0.7
419.14197	0.4
467.08890	0.5
678.48138	0.7
679.48273	0.6
690.49805	0.4
739.20972	2.3
739.32959	1.2
740.21606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57287	0.7
55.01875	0.8
55.16856	0.7
57.03453	2.3
58.00603	0.8
59.01387	39.2
63.64928	0.8
66.20818	0.8
67.01917	0.7
69.50130	5.3
71.01385	16.7
72.99335	4.3
74.36860	0.8
75.00887	9.5
83.01386	1.3
85.02963	16.5
87.00867	6.2
89.02444	9.3
93.03446	6.0
94.83282	0.8
95.01400	4.3
96.96000	2.7
99.00890	6.8
101.02445	5.8
101.06090	73.6
102.06427	1.8
103.00401	0.8
103.41640	0.7
107.05047	0.8
108.77550	0.7
109.02936	1.5
111.00892	1.6
113.02460	16.5
114.02720	0.8
115.00392	0.8
117.01972	1.8
119.03526	2.2
121.02860	0.9
129.01944	1.3
133.03023	1.7
135.04559	5.0
137.02457	7.8
147.04474	0.8
149.02344	0.9
163.11299	26.0
164.11595	1.4
168.20647	0.7
173.04570	6.2
175.02573	1.4
177.01988	0.9
179.03522	2.4
191.01967	1.8
191.05643	10.1
231.05061	1.3
249.06145	10.5
267.07239	1.0
274.77060	0.9
286.21585	0.7
287.09262	1.4
307.08099	1.0
333.43756	0.8
351.12979	94.5
352.13324	10.4
377.29492	0.9
387.16623	100.0
388.16910	10.4
739.20850	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.0
61.98838	59.4
71.01381	15.4
71.04020	13.4
83.05042	8.0
85.02971	17.9
89.02464	8.8
89.23118	6.0
91.08289	5.5
96.96012	19.3
101.02438	8.5
101.28600	5.2
102.98094	5.9
108.02189	10.2
109.06615	17.7
113.02428	10.1
137.02483	6.4
145.06831	6.2
163.11308	11.5
173.04582	7.9
191.05640	13.0
207.10277	52.2
209.11853	100.0
225.11369	41.6
227.12900	21.5
235.08176	7.8
251.25146	6.3
253.09227	17.1
417.22577	8.8
443.19086	7.9
445.20926	6.0
461.20151	20.2
542.52966	6.1
587.43018	6.1
626.65149	6.4
635.30542	47.5
636.30713	10.6
639.34833	5.6
653.31989	56.7
654.32324	12.3
671.32916	68.0
672.33032	14.1
739.32391	51.7
740.33075	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	739.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47549	7.3
57.85812	8.7
59.01387	55.3
61.98833	90.2
71.01389	32.9
71.56675	13.2
73.02963	8.2
75.00883	8.5
79.95741	16.1
80.96521	35.6
83.01406	9.7
85.02965	25.7
88.98801	45.3
89.02441	19.9
93.03460	30.1
96.95999	31.2
97.02905	8.8
101.02470	11.2
109.02950	9.5
124.01752	7.8
135.04539	9.0
137.02443	29.8
149.19147	9.4
163.07712	10.5
164.98662	7.8
165.63762	7.2
173.04523	16.7
191.05603	32.3
193.05135	9.8
207.10251	25.3
209.11829	77.6
210.61478	7.9
225.00682	15.0
225.11328	39.2
227.12895	18.2
231.50325	10.2
383.44952	8.9
401.84897	10.2
461.20020	17.0
480.29239	8.3
555.64948	8.8
635.30823	9.9
653.31439	33.8
671.32538	29.4
739.32135	100.0
740.33234	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	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01386	19.9
61.98837	41.1
71.01393	7.2
71.55287	1.1
78.95929	1.9
80.02681	2.1
81.03457	1.7
83.05019	5.1
84.02146	1.3
85.02947	2.3
87.00875	1.3
89.02443	3.7
96.96001	3.3
97.36127	1.1
101.02440	4.1
109.79338	1.4
113.02436	3.3
123.16667	1.2
135.08162	1.4
141.01668	4.2
143.03503	1.1
151.11266	1.4
161.04520	1.6
163.11249	3.2
165.12843	2.5
167.62866	1.0
169.12332	9.5
170.56668	1.2
171.10255	4.0
178.48146	1.1
185.11897	1.3
195.13835	7.1
199.13284	1.8
207.10246	1.5
209.11842	100.0
210.12122	5.1
210.13962	1.5
211.13399	16.6
213.11415	1.6
223.13367	5.0
227.12907	12.0
235.08211	2.4
253.09291	16.6
262.06946	1.1
275.20230	8.3
277.21756	1.8
279.23380	1.6
280.23325	1.2
291.19638	3.8
292.19962	1.3
293.21262	75.3
294.21634	7.4
309.20703	6.1
449.19928	1.2
501.16571	1.3
537.54358	1.2
739.39600	6.6
740.38654	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73951	1.3
59.01384	9.6
61.81843	1.1
61.98840	10.0
69.03483	1.4
69.99157	1.1
71.01384	13.2
71.56053	2.0
73.02939	3.6
78.95900	2.7
83.01422	1.4
85.02946	2.7
87.00864	2.2
89.02465	3.8
95.01370	1.7
95.05006	1.4
97.02940	2.4
97.06609	1.5
99.00896	6.9
100.55541	1.3
101.02429	6.7
109.06604	5.1
113.02461	2.9
125.09714	3.5
127.11319	2.1
152.99562	1.6
155.54684	1.2
157.29005	1.2
161.04559	1.8
161.09775	1.4
163.11279	5.1
166.31128	1.2
171.10278	64.0
172.10616	3.9
179.10645	1.5
181.12350	2.7
189.09291	2.2
196.60191	1.3
197.11877	8.7
198.12177	3.9
199.09744	4.8
199.13550	9.1
201.11389	9.5
207.10268	20.5
215.12971	2.2
223.09694	4.1
225.11356	36.4
226.11658	2.4
232.02469	1.2
235.08250	6.3
243.12309	4.6
253.09309	13.2
277.21732	100.0
278.22070	12.8
279.23361	7.9
280.23615	2.4
301.93445	1.2
391.04529	1.2
407.19418	2.0
443.19193	1.7
448.69647	1.4
454.60233	1.3
461.20334	4.8
616.03168	1.5
662.04572	1.4
695.40521	1.7
721.41632	5.5
739.42249	31.9
740.42841	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01110	0.7
59.01383	9.4
60.29316	0.5
61.61808	0.5
61.76104	0.5
61.98831	3.4
70.85809	1.1
70.86143	0.6
71.01384	11.2
71.05022	1.6
72.99291	0.7
73.02947	1.9
78.95898	1.0
79.95731	0.9
81.03436	0.6
83.01363	0.9
83.05023	1.4
85.02954	2.9
87.00862	2.1
89.02455	3.9
89.46449	0.5
95.01382	0.8
95.05042	1.1
96.96024	16.3
97.02969	4.6
97.06587	2.0
99.00887	12.4
101.02453	5.4
102.64761	0.6
109.06599	2.8
110.03744	0.8
111.04558	1.0
113.02457	3.2
119.03476	0.6
123.08167	1.1
125.02453	0.7
125.09740	6.1
127.07631	0.8
127.11282	1.8
135.08189	0.8
136.05243	0.5
142.02701	1.1
143.03548	0.6
145.05099	1.0
153.12866	0.8
155.10800	0.8
161.04591	0.7
161.09660	0.8
163.11296	8.3
171.10277	19.0
172.10576	1.1
179.10771	0.7
181.12370	16.7
182.12688	1.1
189.09163	0.8
197.11821	2.5
199.13406	23.5
200.13728	1.7
201.11279	5.0
207.10271	40.0
208.10612	2.3
225.11331	64.4
226.11656	4.2
235.08221	2.3
243.12386	15.2
253.09309	7.1
254.09508	0.6
260.07996	0.5
277.21738	68.0
278.22079	7.6
279.23108	1.7
291.91101	0.6
295.10443	0.6
299.15314	0.8
381.78854	0.6
443.19138	1.7
461.20334	12.3
462.20685	1.0
479.21198	3.4
480.21445	0.7
721.41901	6.3
722.41742	1.5
739.42749	100.0
740.29688	1.2
740.43066	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	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03414	0.8
59.01141	0.7
59.01388	7.4
70.60289	2.2
71.01382	6.1
71.05010	2.9
72.01719	0.7
73.02948	2.0
83.05035	1.2
85.02942	1.7
87.00857	1.8
89.02422	2.1
95.01369	1.0
95.05042	0.8
97.02953	4.1
97.06582	2.4
99.00891	13.9
101.02448	4.8
109.06580	1.4
110.03745	1.1
113.02469	2.3
119.03541	0.8
123.08160	1.3
125.09737	5.9
135.08113	1.0
136.05261	1.1
142.02713	0.9
157.83113	0.8
161.04599	0.9
161.09673	0.8
163.11287	8.8
171.10281	6.3
177.36932	0.7
179.10867	0.8
181.12344	12.0
182.94159	0.9
184.60619	0.8
186.59837	0.7
197.11813	1.2
199.13423	10.3
201.11336	2.9
207.10272	27.6
208.10614	1.2
225.11339	43.6
226.11697	2.7
235.08191	3.3
243.12344	6.2
253.09251	3.9
277.21735	73.5
278.22092	7.9
286.61163	0.8
333.12192	0.8
443.18936	1.3
461.20389	6.5
474.96832	0.8
479.21207	1.6
513.31323	0.9
721.41559	7.4
722.42432	1.3
739.42761	100.0
740.43127	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71553	1.2
54.30083	1.1
57.03462	1.3
59.01376	6.2
61.98842	11.3
62.06974	1.2
66.53415	1.4
69.03465	3.6
70.57981	3.6
71.01391	8.1
71.05009	1.5
78.95921	2.4
83.01382	1.8
85.02995	2.1
89.02444	2.0
97.02978	1.2
97.06573	1.4
101.02428	4.1
102.93970	1.1
103.62914	1.3
113.02515	2.2
125.09743	2.8
143.03528	1.2
151.11243	3.4
159.92534	1.2
160.00244	1.1
161.09734	4.3
171.10260	2.9
179.10785	8.0
197.11844	41.1
207.10323	1.5
213.98599	1.3
225.11317	2.9
235.08154	1.9
241.10867	2.0
253.09280	3.6
255.23274	1.2
277.21762	9.0
279.23315	77.7
280.23566	8.9
623.53577	1.3
739.42761	100.0
740.43054	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.2
61.98827	2.5
69.03464	1.2
69.23696	7.4
71.01387	11.5
72.99323	1.5
73.02949	3.1
83.01374	1.1
83.05027	0.9
85.02954	2.8
85.97891	0.7
87.00887	2.9
89.02462	4.4
93.03433	0.8
95.01379	1.2
95.05045	2.1
96.96019	1.3
97.02939	1.9
97.06596	0.7
98.20690	1.7
99.00870	1.7
99.04544	1.0
101.02451	5.4
109.06597	4.9
113.02433	3.6
113.28508	0.7
119.03509	1.6
121.06593	0.8
125.09736	2.0
127.11285	2.6
135.08148	1.1
141.01952	0.9
143.03522	1.8
145.05145	0.8
161.04568	2.2
161.09727	1.2
163.11292	4.3
171.10284	77.6
172.10632	2.8
179.10794	1.0
181.12433	1.5
185.11871	2.3
189.09212	2.5
197.11861	1.8
199.09868	0.8
199.13406	2.1
201.11333	19.7
207.10268	15.7
208.10628	1.1
209.11774	1.0
211.13437	2.6
211.27040	0.8
215.12866	1.0
225.11334	41.9
226.11707	1.7
227.12877	1.7
235.08292	6.0
243.12372	3.0
253.09322	11.8
254.09633	1.0
277.09442	1.7
277.21738	100.0
278.22043	10.1
279.23010	1.1
293.21283	2.4
397.13516	0.9
407.19208	2.5
443.19214	2.9
461.20236	8.9
462.20874	1.1
660.42932	0.8
721.41339	3.5
739.42096	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	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98836	100.0
71.01403	0.7
75.15574	0.2
80.96531	0.3
85.02967	0.4
89.02470	0.6
92.42806	0.2
97.02972	0.2
98.20123	1.2
99.08176	0.2
101.02462	0.5
113.02503	0.3
125.02501	0.3
159.97003	0.2
171.10344	0.4
199.13470	0.3
201.22812	0.2
209.11859	1.9
210.12207	0.5
211.13428	0.7
228.13307	0.2
250.09100	0.2
253.09401	0.4
277.21820	0.3
279.23425	0.8
280.23544	1.1
281.24127	0.5
293.21326	0.9
294.21564	0.6
309.20947	0.3
387.99008	0.2
397.13669	0.6
398.13925	0.6
399.14163	1.3
400.14319	0.9
415.14493	0.3
416.15344	0.3
417.15213	0.4
418.15607	0.3
446.58377	0.2
533.01208	0.2
577.26996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
61.98836	100.0
62.98531	0.2
69.32578	0.2
69.32983	0.9
71.01419	0.4
85.02999	0.2
87.29111	0.1
89.02460	0.4
101.02473	0.3
113.02419	0.1
129.72385	0.1
152.90836	0.1
163.77138	0.1
209.12029	0.1
211.13475	0.6
212.13628	0.3
279.23367	0.4
280.23761	0.5
281.24036	0.4
295.22653	0.1
309.20810	0.2
376.10919	0.1
381.81512	0.1
392.73331	0.1
397.13516	0.2
398.14026	0.4
399.14056	0.5
400.14465	0.4
416.15109	0.3
417.14819	0.3
418.15729	0.1
669.47406	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	740.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62894	0.1
58.69802	0.1
59.01374	0.2
61.98836	100.0
62.98543	0.2
70.49520	0.2
70.49889	0.2
71.01411	0.1
81.03445	0.1
83.05045	0.1
91.75361	0.1
92.11000	0.1
96.96064	0.1
97.38840	0.1
97.66797	0.1
110.28080	0.1
122.03778	0.1
125.50400	0.1
133.02922	0.2
135.04572	0.1
137.02521	0.1
147.04489	0.1
148.05321	0.1
161.06053	0.1
173.04547	0.2
190.02818	0.1
191.03571	0.1
191.05649	0.3
205.05096	0.2
211.96112	0.1
242.05995	0.1
264.84976	0.1
283.09851	0.1
285.11398	0.3
293.88809	0.1
353.08844	0.2
367.10574	0.1
369.96365	0.1
396.96893	0.1
401.11703	0.1
678.50574	0.1
679.50952	0.3
680.50623	1.2
740.49329	1.3
741.21002	0.5
741.50311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98840	3.1
71.01377	1.0
71.19137	0.4
71.19469	0.7
77.03973	3.0
83.05032	0.7
85.02964	0.7
89.02436	0.6
93.03477	1.1
96.96030	1.0
99.08376	0.4
101.02482	0.7
111.08161	0.5
113.02496	0.7
121.02973	100.0
122.03295	3.4
125.09686	0.4
134.24498	0.4
137.02449	0.7
141.01723	1.3
143.53615	0.4
161.04489	0.5
163.11342	0.6
165.01950	70.0
166.02274	2.3
169.12421	0.4
171.10283	0.6
180.05779	0.5
181.06625	2.4
183.13934	1.9
191.03572	1.6
191.05580	0.8
195.13914	2.1
197.11882	2.2
197.50648	0.4
209.11850	8.1
210.12169	3.7
211.13541	1.1
213.14970	10.3
225.05583	1.7
227.12926	0.9
230.02118	0.5
253.09377	3.9
275.20090	0.5
276.20490	0.6
277.21729	0.7
279.23370	0.4
291.19696	2.2
293.21255	2.8
294.21582	2.6
295.22379	0.4
309.20737	4.7
313.07175	2.5
357.06219	8.9
358.06470	1.1
378.63278	0.4
451.35382	0.4
505.35181	0.6
549.10980	0.5
741.14661	5.0
742.14624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82013	0.3
57.85819	0.3
59.01381	1.2
65.03908	0.3
65.80032	0.3
67.01868	0.3
71.01395	2.0
71.56020	0.3
71.56401	0.4
73.02960	0.3
84.18026	0.3
85.02956	2.0
89.02468	0.5
93.03466	1.1
96.96009	0.9
101.02455	0.7
103.63146	0.3
109.02971	1.5
110.92503	0.3
111.00905	0.7
113.02489	0.7
119.05036	0.5
121.03002	0.5
123.00874	1.0
123.04568	0.5
125.02492	0.8
133.02956	0.4
134.03752	0.5
135.04539	0.8
137.02461	6.6
139.00394	0.6
149.02461	0.6
150.03281	0.5
151.00377	9.7
151.04047	1.4
152.01158	1.7
152.04813	1.6
153.01942	0.4
159.04498	0.4
161.04520	0.8
163.04060	0.5
164.04808	0.6
166.02727	40.9
167.03314	2.3
173.04567	0.8
174.58865	0.3
175.04042	0.7
177.01979	2.0
179.03520	0.8
181.05080	60.8
182.05403	2.5
184.03825	0.9
189.05569	0.4
190.02734	0.3
190.06339	0.7
191.01953	0.4
191.03572	0.6
191.05623	1.8
192.04312	0.6
193.05052	0.9
193.38629	0.4
205.05009	0.5
205.08736	1.3
207.06596	1.1
209.04619	0.4
219.06664	0.5
222.72115	0.3
224.03285	0.5
297.04041	0.4
299.06018	0.4
299.09296	0.3
316.09253	0.4
327.05200	1.4
329.10297	0.3
353.08691	0.3
357.10135	0.5
359.11368	1.3
387.10898	9.0
388.11127	1.0
402.13211	7.3
403.13553	1.0
417.15573	100.0
418.15912	12.3
425.13748	0.3
447.09293	0.9
579.20099	0.4
715.16504	0.4
741.19043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01385	9.1
61.98837	7.0
65.00328	0.8
68.99855	0.5
71.01385	8.4
71.56670	0.6
71.84818	0.6
72.99321	1.6
73.02971	1.4
79.95743	0.7
82.06555	0.6
82.52932	0.6
82.95447	1.1
83.01419	1.8
85.02959	4.9
87.00890	2.0
88.98832	2.5
89.02451	3.8
91.01920	1.9
91.05555	0.6
93.03475	5.3
95.01402	1.4
96.96022	24.3
98.95593	0.6
99.00935	1.0
101.02454	5.4
108.02171	1.0
109.02953	1.7
111.00906	0.8
113.02469	2.5
116.92847	1.2
119.01406	4.7
119.03510	0.7
119.05023	0.9
121.02965	6.8
123.00912	0.8
123.04520	0.9
125.02469	0.9
129.01949	0.8
132.02148	0.6
133.02921	0.9
133.46977	0.6
134.03783	2.8
135.04547	6.9
136.01706	0.8
137.02458	4.7
145.03087	0.7
147.00906	5.6
147.04517	2.5
149.02464	24.4
150.03128	1.7
150.82115	0.6
151.04021	1.3
152.01170	2.5
153.01936	2.2
160.01685	1.0
161.02428	2.2
162.03209	0.8
163.04008	4.2
164.04810	22.0
165.01955	1.5
165.05394	2.0
167.03549	0.9
169.05083	1.0
173.04573	3.2
175.00388	27.4
175.03973	1.9
176.01060	3.6
177.01923	2.4
179.03534	1.3
179.05702	1.2
179.07198	3.0
181.05093	0.7
190.02739	73.9
191.03322	6.9
191.05634	7.4
191.07162	1.1
192.04329	0.8
193.05115	1.0
194.02034	0.7
200.23640	0.7
205.05075	56.0
206.05431	4.0
207.02908	0.8
207.06587	0.7
208.03818	1.6
209.04669	2.9
221.08290	2.0
223.06140	21.5
224.06541	1.2
233.04729	0.7
250.04929	0.9
251.05640	1.1
253.81328	0.7
265.07169	3.2
267.07092	2.9
299.01541	0.5
337.09460	0.7
353.08911	0.6
373.09460	0.8
409.49670	0.6
487.17261	0.7
549.17688	0.8
565.26495	1.4
614.00739	0.6
705.44135	1.1
726.30872	1.0
741.33472	100.0
742.23346	0.8
742.33868	22.3
754.78699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
61.98833	6.2
69.25601	15.8
70.27641	1.6
71.01374	2.8
81.76563	1.8
83.05092	1.9
85.02946	2.8
87.04639	2.1
89.02467	2.1
113.02448	2.4
163.11278	2.6
171.10240	2.6
207.10316	2.4
209.11836	100.0
210.12154	5.4
225.11436	2.3
227.12917	23.1
235.08206	2.6
253.09180	5.9
310.34055	1.8
314.04248	2.0
445.20712	7.6
552.07623	1.8
741.34705	22.4
742.34631	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	741.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05910	1.0
57.03452	2.4
58.95851	1.0
59.01384	8.1
61.98837	9.5
71.01379	5.6
73.02964	1.4
75.77542	1.0
80.96548	1.2
83.01394	1.3
85.02950	4.3
87.00918	1.6
88.98809	2.7
89.02450	3.4
93.03487	2.2
93.34492	1.0
96.46102	1.0
96.96009	8.5
99.04518	1.2
101.02434	3.8
113.02479	3.0
114.76822	1.2
114.81225	1.0
116.92918	1.2
119.05048	2.4
121.02937	2.1
121.06615	2.2
135.04562	4.9
136.05321	45.7
137.02466	2.3
137.06088	1.3
137.64297	1.0
144.19897	1.2
148.05322	1.1
149.02415	3.5
149.06078	10.3
150.06895	4.9
157.08817	1.5
162.06825	3.2
163.04013	2.4
163.07663	1.7
164.04825	2.5
164.08472	6.1
165.09207	21.4
166.09532	1.4
171.10295	1.6
173.04611	1.4
175.00403	2.8
179.07074	2.3
190.02730	4.5
191.05611	4.5
205.05095	4.1
207.10245	1.7
209.02962	1.3
209.11745	1.7
223.06165	4.0
225.11357	2.2
227.12993	1.6
281.21347	1.8
327.21747	7.1
329.06329	1.4
357.13168	1.6
432.28870	3.4
446.30215	2.0
447.31174	16.0
448.31738	2.6
474.30048	1.0
475.30414	2.6
492.30869	3.4
493.31699	19.8
494.31906	2.9
669.29535	1.2
697.38025	100.0
698.38434	25.6
741.34064	4.6
742.35931	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	741.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95884	1.6
57.34351	1.7
58.01864	1.6
59.01384	7.8
61.42915	1.6
61.98821	6.5
71.01386	9.9
71.55489	1.8
74.63199	1.6
78.95911	6.1
84.96849	1.8
89.02451	2.6
97.02956	3.4
99.00903	10.8
101.02443	3.3
125.09729	5.6
152.52538	1.9
152.99649	4.0
163.11304	7.6
164.15181	1.6
170.57678	1.9
171.10255	6.2
181.12369	13.9
195.66168	1.6
199.13406	25.4
201.11372	3.7
202.11594	1.8
207.10281	29.3
225.11319	51.3
226.11823	3.8
235.08061	2.2
243.12328	14.3
277.21674	4.4
279.23325	48.9
280.23596	7.0
295.22821	3.3
461.20206	8.8
467.31705	2.5
474.50668	1.9
505.25403	2.3
723.43390	5.2
741.44373	100.0
742.44757	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	741.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75547	0.8
53.87521	0.9
54.79660	0.9
59.01384	6.0
61.98537	1.2
61.98835	16.3
66.09650	0.8
69.88876	3.4
71.01394	5.3
71.05003	1.8
73.02939	1.7
75.13168	0.8
75.81104	1.0
78.95913	5.8
81.71627	0.8
83.01392	0.9
85.02942	1.1
89.02406	1.3
97.02961	2.1
97.06618	2.5
98.20667	1.2
99.00893	12.1
100.81485	0.9
101.02452	3.7
109.06609	1.3
110.03703	1.3
125.09741	5.7
142.02740	1.4
152.99599	2.3
163.11298	7.7
165.28705	0.9
171.10287	2.8
181.12357	11.2
197.11838	1.0
199.13420	9.2
201.11418	0.9
207.10281	17.6
208.10600	1.4
225.11337	37.4
226.11671	2.6
235.08127	1.9
243.12372	5.7
251.13843	1.0
253.09167	1.4
269.02679	0.9
277.21832	2.7
279.23303	68.9
280.23602	6.6
295.22806	1.1
387.43848	0.9
406.74472	0.9
443.19064	1.4
454.90710	0.9
461.20325	3.7
479.21320	2.3
505.25488	1.1
723.42847	4.9
724.44183	1.6
741.44330	100.0
742.44788	25.3
742.58197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73494	0.5
56.83746	0.5
59.01387	5.7
61.98834	1.5
67.30462	0.5
71.01393	3.8
73.02965	0.6
77.82198	0.6
80.02660	0.6
81.03488	0.7
83.01419	1.0
83.05039	4.2
85.02966	1.2
85.49380	0.6
87.00915	1.4
89.02450	3.0
95.05044	0.8
97.02934	0.7
101.02470	3.9
103.05054	0.5
113.02460	2.6
119.03539	1.0
125.09727	2.1
127.11343	2.9
145.05113	0.8
155.10802	1.0
160.04622	0.5
161.04568	1.5
163.11299	2.6
165.12848	2.0
171.10281	2.1
174.85583	0.6
179.05692	0.7
183.10312	0.7
199.09773	0.9
201.11351	41.6
202.11707	2.4
209.11856	92.0
210.12190	6.3
225.11281	0.8
227.12936	11.2
229.56038	0.7
235.08203	6.8
253.09354	14.6
254.09637	0.8
275.20325	0.8
277.21759	100.0
278.22076	12.4
292.48087	0.6
437.20245	1.8
443.31845	1.1
445.20648	0.9
461.32776	0.9
505.25665	0.8
513.30768	1.1
685.70978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64132	0.2
59.01388	1.0
60.99313	1.0
61.98839	100.0
71.01405	1.0
71.57388	0.2
73.02962	0.3
74.80594	0.2
75.81875	0.2
78.95900	0.3
81.03471	0.4
83.05022	0.4
85.02979	0.2
87.00903	0.5
88.00427	0.6
88.98826	3.8
88.99367	0.3
89.02467	0.9
101.02481	0.5
113.02460	0.4
125.02459	0.3
125.09673	0.2
127.11293	0.2
139.24634	0.2
143.03508	0.2
147.80020	0.2
152.99727	0.2
161.04613	0.3
171.10289	0.5
201.11337	4.4
202.11681	1.4
202.25682	0.2
209.11836	8.7
210.12215	3.4
214.01755	0.2
227.12927	0.8
235.08313	0.3
236.20975	0.2
253.09294	1.7
277.21750	5.0
278.22107	3.6
279.22830	0.4
281.25027	0.8
282.25424	0.6
283.25580	0.3
289.20111	0.2
293.21426	0.3
296.93054	0.2
389.02621	0.2
397.13425	0.3
398.14063	0.5
399.14322	0.8
400.14865	0.3
417.15228	0.3
437.20270	0.2
450.32785	0.2
513.40656	0.2
524.59332	0.2
752.73676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80827	1.7
55.01871	1.8
56.08289	1.7
56.56308	1.8
57.03458	2.7
59.01393	10.2
65.00359	2.2
69.03468	3.6
69.47175	6.0
69.47602	7.4
71.01383	19.5
73.02935	7.0
81.03456	4.8
83.01391	8.1
85.02959	13.8
87.00889	36.0
89.02450	2.6
93.03452	7.1
95.01396	5.2
96.96053	3.9
97.02937	4.4
99.00881	7.1
99.74022	2.0
101.02429	9.3
107.01420	4.0
109.02936	6.3
111.00893	32.2
112.98809	3.9
113.02460	5.9
121.02978	17.2
123.00896	17.0
124.01673	3.6
127.00381	3.6
129.01886	2.5
134.03746	4.7
135.04527	8.8
136.98802	3.5
137.02441	23.8
137.99626	2.7
138.03247	13.7
138.04865	2.2
139.00391	4.8
139.03987	7.8
149.02420	6.7
151.00336	5.7
151.03979	3.2
152.00986	2.0
153.01894	4.0
153.05576	32.3
155.03479	3.2
161.02451	14.5
163.03973	3.5
164.04826	12.7
166.02724	11.7
166.99883	10.9
168.00664	4.2
173.00967	2.5
173.04584	3.8
174.01743	2.6
175.04076	2.1
176.04805	8.2
176.16539	1.8
177.01926	4.7
179.03535	21.3
179.07132	14.1
180.04239	2.2
181.01477	10.2
181.05048	8.2
182.02228	24.5
183.02998	21.5
190.02554	2.2
191.01949	4.8
191.03542	4.4
191.05594	14.4
191.07161	6.3
192.04308	2.3
194.05832	21.2
195.06522	2.4
196.03796	3.9
197.02901	3.7
197.04570	50.5
198.04871	3.0
203.03780	2.1
205.01549	2.5
205.03275	2.3
205.05086	5.6
206.05847	3.6
207.03003	2.4
207.06541	5.2
208.03870	2.1
209.08195	27.5
217.05038	2.4
219.02940	6.5
220.03629	3.2
221.08170	2.5
222.05226	3.2
232.03899	2.2
233.04529	3.1
234.05327	11.4
235.06059	3.5
237.07666	4.2
239.05569	3.7
246.05234	4.9
247.06097	5.3
249.04172	2.7
249.07617	11.2
250.04688	3.8
263.05573	4.5
264.06323	6.9
265.07187	10.3
279.08624	4.3
286.63693	2.1
309.09689	2.3
325.09000	2.8
326.06271	11.2
327.07285	13.3
337.09177	3.1
341.08783	51.2
342.09229	3.9
387.16583	3.2
523.14648	3.8
539.14319	12.8
563.17706	5.2
579.17035	3.8
591.17078	9.0
592.17334	2.4
607.16809	19.3
608.17145	3.0
633.17755	3.7
637.18878	3.3
667.18738	7.9
679.18390	5.0
699.21381	7.1
725.19287	50.6
726.19299	12.1
743.20337	100.0
744.20715	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	743.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01394	2.5
61.98841	4.7
71.01392	3.1
73.02977	0.5
78.75571	0.5
79.95760	0.6
84.95102	0.4
85.02962	2.0
88.98821	0.6
89.02464	1.1
93.03465	2.5
96.96024	2.5
101.02447	1.0
105.03425	0.4
107.05067	0.6
108.02174	0.4
109.02970	0.8
111.00860	0.6
113.02503	0.6
115.05604	0.4
115.69953	0.4
116.92870	0.5
117.02654	0.7
117.03488	16.1
119.05042	67.5
120.05395	2.3
121.02957	3.2
123.00904	1.5
123.04567	0.6
124.01685	1.2
125.02471	2.4
129.01961	0.6
133.02986	0.5
133.06561	0.4
133.84166	0.4
134.03763	1.4
135.04547	1.7
136.01714	0.7
137.02490	2.4
138.03233	1.0
138.55399	0.4
145.02974	35.7
146.03355	1.6
149.02409	2.0
149.99577	0.9
150.03209	1.3
151.00404	3.4
151.04016	1.7
152.01204	2.9
153.01953	0.5
153.05583	0.9
160.01675	0.5
161.02441	1.0
161.04597	0.6
161.06065	1.2
162.03238	0.6
163.04028	64.3
164.04485	3.6
165.01942	4.8
165.05447	0.8
166.02739	7.8
167.03516	2.0
168.00641	1.9
173.04524	1.2
174.03252	0.4
175.00389	1.8
175.03922	2.7
176.04643	0.5
177.01985	0.7
177.05591	3.2
178.02676	0.5
179.03543	2.7
179.07167	0.8
180.04300	3.2
181.05099	7.0
189.05605	0.6
190.02740	4.0
190.06442	0.7
191.03638	2.0
191.05663	1.8
192.04329	0.7
193.05019	0.5
194.05849	1.5
195.06636	6.3
205.05061	5.9
206.05664	1.5
209.08047	0.4
221.08096	1.0
223.06174	1.6
227.94333	0.4
235.06105	0.7
255.06656	0.5
282.08304	0.4
297.11206	0.5
299.05582	0.9
307.08292	1.6
337.09335	0.8
367.10327	1.6
371.11462	0.6
373.13074	0.7
387.14795	0.9
403.13907	0.7
417.15268	0.5
447.15329	0.5
486.86707	0.5
551.19171	5.6
552.19324	1.4
563.18896	0.6
581.20337	100.0
582.20654	18.1
699.38037	0.5
725.25128	0.5
742.33868	0.9
743.24451	3.4
743.36676	2.7
744.25226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.0
61.98838	4.5
67.95500	0.4
69.64314	2.5
71.01394	4.9
72.99327	0.5
83.01438	0.5
85.02964	2.3
88.98808	1.1
89.02474	1.9
93.03481	2.0
96.96029	4.1
98.19900	0.9
101.02469	1.9
108.02171	1.0
109.02982	0.6
113.02460	1.4
116.92899	0.5
117.03485	17.5
118.03828	0.9
119.05041	100.0
120.05369	3.7
121.02981	1.8
123.00945	0.5
123.04473	0.5
124.01753	0.5
126.53756	0.5
131.05106	0.5
133.02972	1.4
134.03770	1.2
135.04564	2.5
137.02472	1.6
145.02974	37.2
146.03333	1.8
147.04604	0.8
149.02469	2.0
150.03224	1.9
151.00403	2.0
151.04031	1.5
152.01146	1.6
153.05571	0.6
160.01637	0.6
161.02467	3.3
161.06142	0.5
162.03270	0.7
163.04028	83.2
164.04396	3.9
165.01982	0.7
165.05545	2.0
166.02740	3.9
167.03514	1.0
175.00401	0.8
175.03999	0.8
176.04813	1.7
177.01965	1.5
177.05565	1.7
178.02844	0.6
179.03482	4.7
180.04272	1.1
181.05086	3.0
188.04688	0.6
190.02751	2.5
191.03479	1.0
191.05630	1.2
191.07243	0.6
192.04309	1.3
193.05063	1.3
194.05833	4.1
195.06676	2.1
205.05077	2.9
206.05678	0.7
207.06763	0.6
209.03069	0.8
209.08224	3.1
221.08313	0.9
223.06145	2.4
265.07294	2.7
271.06067	0.7
286.08484	0.6
306.63919	0.5
325.09280	1.6
355.12192	0.5
371.11288	1.4
385.12231	0.6
387.14639	0.6
399.14514	0.9
423.85233	0.4
529.17053	0.4
553.40186	0.5
563.19299	4.8
564.19269	0.5
581.20325	28.6
582.20642	5.6
681.63489	0.6
743.25446	25.9
744.25952	6.1
756.28461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21620	0.5
59.01386	4.6
61.98829	4.4
66.00777	0.4
69.26120	2.5
69.26542	1.4
71.01389	4.1
72.99313	0.9
78.95916	0.5
79.95722	0.8
83.01402	0.8
85.02949	2.2
88.98798	1.2
89.02447	2.4
93.03455	3.2
95.01375	0.8
96.96020	17.9
101.02455	1.5
105.03472	0.8
108.02174	0.6
109.02946	0.9
111.00950	0.6
113.02478	1.8
116.92883	0.7
117.03479	37.5
118.04254	1.8
119.05041	100.0
120.05384	3.2
121.02969	25.3
122.03283	1.0
123.04540	8.9
133.02963	5.8
133.03891	0.5
134.03755	3.2
135.04536	1.3
137.02484	2.4
145.02968	7.6
147.03011	0.4
147.04552	0.5
149.02458	1.6
151.00406	0.4
151.03987	1.5
161.02472	5.1
161.04543	0.8
161.05937	0.5
162.02182	0.8
162.03242	51.6
163.04022	75.1
164.04367	3.8
165.01891	0.4
173.04587	1.0
175.04022	0.8
176.04816	3.0
177.01945	2.1
177.05478	0.8
179.03516	9.0
179.04988	0.8
180.04230	0.4
181.05080	0.8
190.02742	2.0
191.01944	0.6
191.05632	2.5
191.07230	1.3
192.04309	1.1
193.05057	1.0
194.05861	6.8
195.06409	0.6
205.05098	1.4
207.06633	1.5
209.03143	1.2
209.08200	6.8
209.11870	0.5
223.06136	0.9
255.03091	1.4
283.02573	0.9
299.05710	1.0
341.10345	0.7
353.10388	0.8
371.11328	3.7
461.10880	2.5
495.33322	1.3
499.72699	0.5
540.20355	0.4
563.18933	0.5
580.19238	0.7
581.20331	25.9
582.20581	4.7
673.21387	0.4
742.37469	0.5
743.26337	0.7
743.39838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96475	0.3
55.01885	0.7
57.03460	1.0
58.00616	0.2
58.49432	0.2
59.01386	100.0
60.01712	0.8
61.98839	0.3
66.26504	0.3
67.01899	0.6
69.03450	0.3
71.01389	11.8
71.49980	0.6
72.99313	0.4
73.02956	4.4
75.22075	0.3
83.01401	2.4
85.02957	7.8
87.00893	0.6
89.02453	2.4
93.03472	0.6
95.01427	1.1
96.96030	0.7
99.00870	1.5
101.02457	8.6
101.03103	0.5
108.02283	0.4
111.00900	0.5
113.02455	4.7
116.77448	0.3
119.03547	0.7
121.03027	0.8
125.02482	0.7
129.01987	0.3
133.40350	0.3
135.04538	0.6
137.02478	0.8
138.01981	2.5
139.02347	1.0
143.03590	0.6
150.64023	0.3
154.66759	0.3
159.03033	1.1
161.04572	4.5
165.01985	1.3
173.04703	0.4
179.05824	0.3
180.04288	0.9
190.02696	0.3
191.02039	1.1
191.05661	0.8
195.06642	2.5
202.45926	0.3
205.05244	0.5
214.10468	0.3
222.87300	0.3
223.06104	0.4
225.07811	1.3
225.15091	0.6
269.10312	10.6
270.10742	0.6
276.76382	0.3
311.11392	7.5
312.11819	0.6
387.20285	9.7
388.20782	1.0
485.98050	0.3
489.28937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32730	4.2
57.03454	9.1
57.13076	4.4
59.01385	50.0
61.98848	41.8
67.82771	4.4
71.01393	31.4
71.95565	4.4
73.02969	7.8
75.00891	6.1
83.01413	4.9
85.02951	42.3
88.98801	9.7
89.02456	17.4
90.22922	4.6
93.03465	29.3
95.30016	4.9
96.96021	31.9
101.02448	21.3
109.02991	10.1
109.06664	5.3
111.04554	5.0
113.02456	10.7
117.03455	4.4
119.03507	4.4
119.05006	11.4
121.02911	5.0
125.02482	8.5
133.02872	5.0
134.03738	10.6
135.00848	6.8
135.04530	12.2
137.02470	37.4
138.36247	4.5
145.02913	5.2
147.46040	4.9
150.06885	5.0
151.07629	6.1
160.01645	6.1
161.04579	4.5
163.03989	7.1
171.10368	5.5
173.04524	8.8
179.03543	6.8
191.01994	17.5
191.05644	38.8
193.05038	4.6
195.70862	4.3
197.11853	12.6
199.09787	5.6
201.11357	9.9
207.10216	19.1
209.03003	21.3
209.11871	45.6
211.13400	10.7
221.44164	4.6
225.11327	14.8
227.12862	12.6
235.08330	7.1
247.20952	4.8
253.09367	9.3
291.19672	18.0
309.20721	100.0
310.20905	9.8
337.09171	7.0
338.99081	5.5
345.90149	4.7
397.13467	26.7
415.14743	32.6
541.52905	5.4
564.94116	4.8
707.35028	49.5
708.35297	8.5
743.32690	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	5.2
59.01386	59.1
59.35512	4.2
59.95137	4.5
61.98840	56.6
69.03449	5.5
70.17746	4.5
71.01395	41.8
72.99328	6.8
73.02956	7.8
85.02966	52.3
87.00884	10.7
88.98807	6.3
89.02471	18.1
93.03474	11.5
95.01414	5.8
96.96021	27.9
97.02944	6.6
98.19832	10.6
99.04477	6.9
101.02454	31.9
104.91991	4.8
108.02200	5.8
109.03002	8.1
109.06614	6.8
111.00922	4.5
111.08154	5.5
113.02480	17.3
117.03483	6.2
119.05055	33.6
121.02969	10.9
129.01938	5.6
133.02997	7.0
134.03813	7.8
135.04550	23.4
137.02414	10.4
145.02968	17.5
150.03239	5.3
150.06903	10.3
153.15923	4.4
161.02515	6.6
161.04533	9.8
163.04060	33.0
163.07687	8.0
163.11356	7.5
171.10297	13.1
173.04597	16.5
175.04076	4.9
177.01991	6.7
179.03479	10.3
179.05666	4.7
179.10701	5.9
179.93883	4.9
190.02829	9.3
191.01996	16.2
191.05630	38.6
193.05083	7.0
197.11819	36.7
199.09798	7.2
199.13438	5.5
201.11444	12.2
207.10260	20.7
209.03059	25.9
209.11862	49.4
211.13420	8.2
225.11320	22.5
227.12857	15.3
235.08214	7.4
253.09384	7.6
291.19647	10.4
305.08588	7.5
309.20740	100.0
310.20963	11.6
318.72214	4.8
327.43414	5.7
371.10226	5.4
397.13513	32.7
415.14682	38.2
478.12534	4.9
495.36417	10.2
699.39783	5.3
707.34961	12.6
743.21057	5.4
743.33545	55.9
744.33075	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	743.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26220	3.8
54.03227	3.2
57.03443	6.3
59.01387	40.9
61.98843	37.9
69.03467	5.0
71.01387	28.7
71.58257	3.9
73.02979	5.8
75.60314	3.0
85.02950	36.5
87.00886	8.9
88.06960	3.7
89.02462	12.6
93.03481	17.6
95.01396	4.3
96.96015	29.8
99.00887	6.2
101.02455	16.0
108.02187	3.7
109.03003	6.1
111.00895	4.1
113.02482	12.8
119.03454	4.6
119.05005	18.3
121.02946	8.0
125.02451	4.5
129.01913	3.8
134.03772	6.7
135.04527	19.5
136.01706	4.3
136.05322	42.7
137.02469	14.9
145.02956	8.3
149.02469	7.0
149.06082	13.3
150.06863	20.0
153.01994	6.1
161.02403	4.1
162.03131	4.4
162.06870	5.3
163.03987	25.6
163.07657	11.2
163.47392	3.3
164.04828	5.7
164.08473	7.3
165.01871	4.8
165.05589	3.8
165.09229	21.7
165.72855	3.6
171.10289	6.6
173.04535	11.5
175.04077	5.7
179.03477	6.4
179.10776	10.7
179.76773	3.5
181.05037	4.5
190.02718	7.8
191.02000	8.9
191.05658	28.5
195.06674	5.9
197.11954	4.3
201.11397	5.5
205.04988	4.7
207.10303	5.1
209.03008	17.2
209.11853	12.9
225.11464	8.2
235.08328	4.7
264.28409	4.2
291.19632	21.5
297.06332	4.8
309.20721	79.1
310.21173	7.5
318.25467	3.6
327.21890	4.7
329.23337	6.6
353.09076	4.1
397.13574	26.2
415.14542	29.8
449.32651	15.4
494.36099	10.9
495.33170	16.2
495.37054	12.8
496.37201	4.5
551.19257	5.1
569.20154	4.3
605.91736	3.8
699.39551	100.0
700.40155	12.6
707.35394	5.9
743.33008	32.6
744.33148	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	743.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
59.01386	10.0
61.98837	13.6
71.01386	9.6
72.99293	1.3
73.02956	2.6
83.01409	1.9
85.02963	10.2
87.00881	2.1
88.98811	3.8
89.02446	4.1
93.03459	4.8
95.01373	1.1
96.96023	14.6
97.02976	1.4
98.20810	1.5
99.04553	0.8
101.02455	5.8
109.02976	1.5
109.06606	1.8
111.04558	1.4
113.02448	3.0
119.03500	1.6
119.05030	7.8
121.02961	2.3
121.06590	1.2
122.03749	1.2
129.01930	1.5
133.03024	0.9
134.03729	2.3
135.04533	9.1
136.05319	41.3
137.02457	5.1
137.05925	1.3
139.34911	0.9
141.05457	0.9
145.02945	1.4
147.08167	1.2
148.05334	2.1
149.06091	10.5
150.06902	6.1
160.01668	1.4
161.02464	2.9
161.04602	2.2
162.06850	3.5
163.04042	6.5
163.07631	3.2
164.04739	1.5
164.08395	4.6
165.01985	1.4
165.07817	1.1
165.09219	19.7
171.10309	2.8
173.04553	3.5
175.03979	1.3
177.01692	0.9
178.57446	0.9
179.03522	2.9
179.05629	1.4
179.07121	1.9
179.10794	1.3
190.02751	2.2
191.01973	3.8
191.05666	6.8
193.05051	1.1
199.09933	1.6
201.11255	2.5
205.05089	2.5
207.10257	4.9
209.03030	3.4
209.11803	6.8
216.99017	0.9
223.06067	1.6
225.11296	3.7
227.12987	1.3
235.08104	1.8
253.09195	2.3
289.17981	1.2
309.20786	2.8
329.23428	8.0
330.23492	1.0
351.10696	1.9
356.47861	0.9
397.13455	1.2
399.16629	4.0
431.31610	1.6
434.30472	4.4
448.31699	1.5
449.32672	15.8
450.33136	3.1
460.17563	0.9
476.31418	1.6
477.32150	3.4
494.32416	3.1
495.33197	23.3
496.33456	3.6
574.07678	1.1
581.20483	2.5
642.31549	0.9
657.38617	1.6
699.39600	100.0
700.39868	20.9
743.22955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	54.7
70.50127	44.2
70.50520	60.2
78.95905	100.0
83.12240	24.6
96.96021	44.0
152.99577	34.9
183.42450	26.1
211.13431	68.3
277.21732	47.9
330.57980	27.2
378.84271	29.6
461.27908	27.0
507.27142	37.4
743.44537	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06987	28.7
61.98836	88.8
62.49787	24.0
71.02740	34.2
71.03068	50.8
76.60847	27.8
85.97375	26.4
90.41223	24.3
152.73901	37.2
213.14938	66.6
235.53229	25.8
255.23235	30.4
277.21738	81.1
281.24872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	17.2
59.01386	27.1
59.80065	2.3
61.98840	16.3
69.34676	11.2
69.35086	7.0
70.75419	2.3
71.01398	23.6
79.88231	2.3
81.03514	2.9
83.01398	18.7
85.02969	11.0
87.00912	2.7
88.98803	3.2
89.02445	10.8
93.03458	8.3
95.01408	3.9
96.96037	15.7
97.02966	2.5
99.04514	13.9
101.02460	16.6
109.02917	2.7
111.00796	2.5
113.02457	11.9
116.92885	3.5
119.03509	2.5
121.02987	3.0
125.02464	26.4
126.32126	2.5
127.00443	3.2
134.03764	3.3
135.04541	3.9
137.02449	6.8
139.00366	2.3
148.05313	5.4
149.02466	2.9
150.03137	3.4
153.01917	2.7
155.03510	3.3
160.01622	2.9
161.04518	2.9
163.03998	18.3
163.07666	8.1
173.04523	5.1
175.03958	4.2
177.01796	2.6
178.06396	20.6
179.05611	2.6
191.05638	6.6
193.08710	31.6
195.06654	2.8
223.05980	2.7
226.02893	4.3
233.04556	3.2
270.01770	9.5
271.04791	4.4
285.04074	27.7
313.03583	38.2
314.04135	5.6
327.05008	3.1
328.05905	100.0
329.06308	10.8
412.05826	2.7
465.13940	6.2
495.14987	4.8
507.13751	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	747.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27600	1.8
59.01115	3.3
59.01384	40.2
60.99314	3.7
61.98835	48.3
65.03930	1.8
67.01897	3.6
71.01011	2.4
71.01389	39.9
71.55862	2.8
72.50452	1.8
73.02941	8.4
77.50547	1.9
81.03461	5.1
85.02962	20.3
87.00869	4.5
88.98827	16.1
89.02458	11.9
93.03455	9.6
95.01385	8.5
95.05019	2.4
96.96014	21.7
99.00854	3.0
99.04535	2.5
101.02461	19.4
105.03492	5.1
107.01394	5.1
108.02189	90.1
109.02996	27.9
111.00854	5.1
113.02459	17.8
119.01406	1.9
119.03515	6.7
119.05002	5.9
120.99665	2.2
121.02985	12.2
122.03683	2.9
123.00895	12.1
123.04543	10.2
124.01687	3.3
125.02438	7.1
132.02107	2.2
133.02980	3.8
134.03766	5.6
135.00882	4.2
135.04594	10.4
136.01642	2.7
137.02441	21.9
138.03174	6.6
147.00848	3.7
147.04485	2.5
148.01692	2.3
149.02449	18.7
150.03246	27.3
151.00330	5.7
151.04027	20.6
152.01175	89.9
153.01949	27.5
153.05537	4.6
159.04509	2.2
160.01665	4.9
161.02475	45.5
161.04550	5.4
162.03117	7.3
163.03966	8.2
164.04727	8.3
165.01961	54.2
165.05623	21.3
166.02745	17.8
166.04961	2.9
167.03497	39.2
168.00623	2.1
168.04034	2.5
173.04483	5.9
175.00319	11.4
175.03990	7.7
176.01103	9.5
176.04811	21.8
177.01907	5.2
177.05449	4.1
178.02679	3.1
179.03525	88.8
179.07083	6.5
180.04303	45.1
181.01382	6.6
181.05074	14.4
182.02155	3.8
183.03027	2.5
190.02757	20.9
191.03442	17.2
191.05568	8.2
191.07098	5.9
193.05037	6.6
194.04224	3.7
194.05862	66.5
195.02921	3.1
195.06639	57.7
196.07018	2.3
197.04530	15.8
205.05057	22.7
207.06532	2.9
209.04478	6.2
209.08215	64.2
210.05223	7.6
210.08481	3.4
211.06107	5.2
222.23964	2.2
223.06105	5.8
225.07620	12.5
297.23694	2.5
311.07779	43.6
312.07956	2.6
315.07214	5.0
326.06290	4.0
337.09137	5.3
340.80978	2.4
341.08777	42.9
353.08783	5.5
357.13403	4.7
367.10153	3.7
387.14636	2.8
412.74976	2.9
477.13794	2.9
481.27496	3.3
499.28824	2.7
519.11389	14.5
520.12268	16.6
521.13129	21.0
535.14410	3.3
537.16168	86.4
538.16425	13.7
575.13947	3.6
643.33252	15.8
644.33026	2.3
661.34308	13.7
661.99811	2.4
703.35638	2.6
747.21320	100.0
748.21533	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	747.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.2
59.90705	0.9
61.98830	3.4
65.00309	1.0
67.01893	2.0
68.99792	1.3
69.30199	4.3
69.30627	4.0
71.01384	8.1
73.02966	1.3
79.95776	1.2
81.03447	1.3
85.02943	4.5
87.00845	1.6
88.54866	0.9
89.02455	1.5
91.01894	3.5
93.03445	2.1
95.01380	2.5
95.42219	1.0
96.96023	39.7
97.95944	1.0
101.02458	5.2
107.01369	3.6
108.02195	11.2
109.02941	4.3
111.00859	2.2
113.02438	3.0
114.02705	1.0
115.00329	1.1
116.92883	1.4
119.05010	2.3
121.02962	1.7
123.00937	7.0
123.04536	13.5
124.01655	2.3
125.02425	3.5
132.06520	0.9
134.03780	1.9
135.04495	3.8
136.01642	1.8
137.02451	3.0
139.00339	0.9
139.04001	2.5
145.02951	1.1
146.03691	1.8
147.04535	5.9
149.02473	1.8
150.03244	3.0
151.00394	25.7
151.03993	2.1
152.01176	17.9
153.01938	5.4
153.05605	1.3
160.01666	1.2
161.02383	1.8
161.04753	0.9
161.06021	1.9
162.03217	1.2
163.04012	1.3
164.04790	1.7
165.01920	1.7
165.05602	1.5
166.02737	52.6
167.03516	48.2
168.03818	1.9
173.02487	1.4
173.04520	1.8
174.03210	3.0
175.02528	1.6
175.04013	25.2
176.04666	1.8
178.02718	1.4
178.06406	1.0
179.03464	2.1
179.07126	2.0
180.04390	0.9
181.05098	53.1
182.05373	2.5
188.04810	2.0
189.05525	3.0
190.02774	1.6
190.06369	16.1
191.05608	2.8
193.05042	4.9
194.05579	1.5
194.14223	1.0
195.02986	1.0
195.06622	1.8
197.04576	1.3
205.04996	2.5
205.08731	5.0
208.07312	3.1
209.04581	2.2
209.07973	1.1
223.05965	1.4
223.09644	1.1
269.04651	1.3
296.05170	5.4
297.03903	5.3
298.04715	1.8
311.07764	100.0
312.07648	5.2
315.07297	1.0
327.08752	10.4
328.05701	1.3
328.09305	1.9
339.48669	1.0
341.08981	3.5
342.11139	14.7
343.11655	3.4
357.02567	1.1
357.09402	1.2
357.13477	16.6
358.13818	2.0
367.10300	3.5
375.14349	3.1
387.14423	1.9
391.14087	10.5
392.14310	1.7
405.15546	7.7
406.15543	1.1
417.15854	1.9
493.13504	21.3
494.13687	2.9
529.43274	1.1
567.16803	2.3
624.12689	1.0
717.24084	10.8
718.23828	2.8
747.24976	33.2
748.25256	6.8
757.23273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.2
61.98854	3.6
66.91049	0.7
67.01908	1.9
69.29794	2.2
69.30216	4.1
70.60029	0.7
71.01392	9.6
73.02985	2.0
79.95772	1.1
81.03497	1.2
85.02950	4.5
87.00903	1.3
89.02460	1.2
91.01891	1.6
93.03518	2.8
95.01436	3.0
96.96020	31.6
96.99332	0.7
98.20609	1.2
99.00922	1.0
100.92609	0.8
101.02443	5.7
107.01395	3.8
107.05062	1.0
108.02193	10.3
109.02991	4.9
111.00941	2.8
113.02509	3.0
119.05076	2.9
121.02998	2.2
122.03808	1.4
123.00893	6.4
123.04533	13.4
123.25127	0.8
124.01722	2.2
125.02508	2.3
133.03015	0.8
134.03696	0.9
135.04572	3.1
136.01653	1.2
137.02486	2.8
138.03217	1.1
139.00410	1.3
139.04056	2.3
145.02972	2.0
146.03726	2.0
147.04539	5.9
149.02461	1.9
150.03270	1.7
151.00372	23.8
151.04060	1.2
152.01172	18.9
153.01976	4.3
153.05602	1.6
161.02499	2.4
161.04601	1.0
162.03146	0.8
163.04114	2.5
164.04881	2.8
165.01962	3.1
165.05618	2.5
166.02725	51.0
167.03506	43.0
168.03857	1.8
173.02443	0.9
173.04591	1.5
174.03255	2.3
175.04015	19.4
176.04776	2.4
177.02016	1.5
178.02808	1.1
179.03564	2.4
179.07216	1.8
180.04372	1.6
181.05074	53.0
182.05457	2.7
189.05612	3.8
190.02797	2.3
190.06372	14.8
191.03561	1.3
191.05594	2.2
191.07051	2.0
193.05032	5.7
194.05577	1.3
195.03018	1.0
195.06728	1.0
197.04568	1.7
203.07138	0.8
205.03294	0.7
205.05087	3.5
205.08690	7.2
207.06734	0.9
208.07449	3.4
209.04597	2.3
223.06116	1.4
223.09753	2.0
251.05602	1.4
269.04443	1.0
296.05209	5.6
297.03757	3.9
298.04739	1.3
299.01773	1.0
301.07098	1.7
311.07742	100.0
312.08453	7.2
327.08826	10.3
328.05875	1.5
328.09436	2.4
331.11914	0.9
341.08658	4.1
342.11124	15.7
343.11703	4.8
357.09329	1.5
357.13464	18.4
358.13751	1.7
367.10242	3.2
375.14438	3.8
387.14584	1.8
391.13931	9.6
392.14554	0.8
405.15714	7.3
417.14987	1.6
493.13535	24.8
494.13898	5.0
567.16827	2.0
717.24023	11.6
718.24133	4.1
745.53961	0.9
747.24792	32.8
748.25183	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	747.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27959	1.9
59.01387	100.0
60.01748	1.9
60.64539	2.0
61.98849	4.4
71.01384	2.1
71.56371	2.4
78.95907	4.2
80.96516	12.2
94.98102	2.7
96.95976	2.0
101.59807	2.2
112.32303	1.9
164.98560	2.0
210.88075	2.1
255.23282	3.2
281.24777	3.1
282.25323	2.3
321.27795	2.3
473.18167	3.8
512.13470	10.4
513.13531	3.3
526.14844	11.8
527.15234	4.1
534.51752	2.8
569.16901	2.8
600.18701	2.6
601.19287	4.2
614.20209	75.8
615.20142	24.1
618.16437	2.4
635.69928	2.2
646.19556	11.5
647.20013	2.9
687.22748	4.5
688.24127	2.9
747.25189	48.4
747.36816	9.6
748.25446	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32005	0.1
57.03463	0.1
59.01387	1.0
61.98839	100.0
67.85094	0.2
71.01388	1.0
72.99339	0.2
73.02988	0.2
74.99118	0.2
83.05032	0.2
84.06863	0.2
85.02965	0.8
87.00894	0.3
88.98835	0.2
89.02470	0.5
93.03458	0.9
96.96031	2.2
101.02472	0.6
108.02223	0.2
111.00903	0.3
112.66555	0.2
113.02473	0.4
119.05048	0.2
121.02987	0.2
123.04587	0.2
132.02197	0.1
134.03751	0.2
135.04541	0.6
136.99214	0.3
137.02472	0.6
139.00502	0.2
145.02974	0.2
149.02470	0.3
150.03255	0.2
151.04027	0.3
152.01266	0.2
153.01967	0.2
156.53194	0.1
160.01682	0.2
161.02461	0.3
161.04649	0.3
163.04071	0.3
164.04794	0.2
165.01895	0.3
165.05603	0.3
166.02711	0.2
167.03540	0.2
173.04646	0.9
174.04944	0.1
175.04088	0.2
178.06425	0.2
178.90887	0.1
179.03590	0.5
190.02800	0.2
191.05597	1.1
192.06175	0.2
193.05103	0.3
195.06670	0.4
205.05150	0.2
233.04517	0.2
281.06830	0.4
285.04138	0.2
299.02164	0.2
313.03534	0.2
314.04462	0.4
329.06635	1.1
433.15411	0.2
476.11462	0.2
491.11493	0.2
525.14258	1.5
526.14362	0.2
560.05566	0.2
714.22742	0.2
750.30688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01384	1.3
61.89600	0.1
61.98837	100.0
62.99281	0.1
69.78726	0.4
69.79137	0.2
71.01391	1.0
73.02967	0.3
79.95737	0.2
82.26379	0.1
83.01431	0.3
85.02968	0.6
87.00937	0.2
88.98832	0.3
89.02458	0.6
93.03439	0.6
96.96027	1.8
101.02466	0.8
108.02188	0.2
109.02975	0.2
111.00914	0.3
111.04606	0.1
113.02461	0.7
116.92899	0.2
117.15829	0.1
118.98122	0.2
119.03537	0.2
119.05054	0.2
120.99670	0.2
121.03011	0.2
121.04999	0.1
125.02397	0.1
129.01991	0.2
133.03122	0.2
135.04561	0.6
137.02481	0.5
143.68831	0.1
148.04102	0.2
150.03175	0.3
151.04012	0.2
154.05779	0.1
154.71892	0.1
160.01646	0.3
161.02464	0.2
161.04611	0.2
163.04071	0.2
165.02078	0.1
165.05600	0.3
173.04607	0.4
175.04091	0.2
179.03618	0.4
180.04237	0.1
191.05612	0.8
193.05115	0.3
195.06694	0.2
201.88463	0.1
223.40085	0.1
234.35318	0.1
314.04306	0.2
329.06693	0.6
329.71619	0.1
525.13934	0.3
645.35138	0.2
646.35687	0.2
706.37476	0.2
750.21600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
59.76525	0.1
61.71433	0.2
61.98826	0.6
65.06519	0.1
69.27969	0.2
70.11726	0.7
70.22050	0.2
71.01376	0.3
78.95912	1.9
79.95744	3.5
96.92222	0.5
96.96021	100.0
97.95961	0.4
100.78346	0.2
177.13023	0.2
195.13951	0.4
255.23241	0.4
293.21356	0.2
372.18671	0.2
387.84494	0.2
397.13449	0.3
453.09116	0.3
512.57916	0.2
691.31891	0.5
695.17792	0.2
751.42859	0.7
752.41833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24942	0.2
59.01379	0.4
60.67277	0.1
61.54978	0.1
61.98824	0.4
66.86649	0.1
71.01371	0.3
73.79309	0.1
74.63959	0.2
76.61237	0.2
78.95917	1.5
79.95747	3.5
96.96024	100.0
97.95940	0.3
98.19785	0.3
98.20470	0.9
105.42548	0.2
196.02711	0.2
255.23225	0.3
277.21661	0.2
293.21320	0.6
307.19073	0.2
330.53348	0.2
356.34512	0.2
369.75040	0.2
383.10123	0.2
385.18887	0.2
415.14267	0.2
449.40805	0.2
453.09277	0.4
459.21024	0.2
691.32428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
60.92863	0.3
61.98824	1.2
70.02794	0.3
71.01387	1.7
72.99316	3.3
75.00881	100.0
76.01219	1.1
79.79422	0.3
84.56752	0.3
85.02979	0.4
87.00877	0.7
89.02461	1.6
90.22952	0.4
95.01411	0.3
96.96026	0.7
98.19757	0.6
101.02457	1.5
101.18626	0.3
119.03517	0.4
161.04503	0.4
174.60713	0.3
179.05505	0.3
186.61069	0.3
186.65123	0.4
197.11853	1.0
207.10364	0.5
223.13449	0.4
225.11455	0.4
235.08252	1.0
253.09520	0.4
277.21722	3.7
278.22128	0.5
289.18042	0.4
291.19751	0.8
305.08911	0.3
307.19440	0.4
370.62900	0.3
397.13525	7.3
398.13916	0.5
415.14719	2.5
458.90771	0.4
542.40045	0.3
584.60126	0.4
608.53143	0.4
745.48096	0.3
751.39130	2.3
752.40424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05515	0.2
59.01393	1.3
61.98827	0.5
70.30455	0.5
70.76327	0.2
71.01385	1.1
72.99318	4.0
73.02953	0.2
75.00881	100.0
76.01215	1.1
85.02955	0.2
87.00881	0.4
89.02443	1.0
97.02956	0.2
98.20609	0.2
101.02464	1.0
113.02458	0.6
116.37341	0.2
119.03511	0.3
125.02478	0.4
128.31586	0.2
161.04623	0.3
164.86566	0.2
179.05649	0.2
197.11852	0.2
199.58890	0.2
215.96027	0.2
221.06822	0.2
223.77815	0.2
235.08261	0.7
277.21741	3.4
278.22009	0.3
291.19550	0.3
305.08722	0.2
397.13486	5.9
397.18484	0.3
398.13992	0.6
408.09988	0.2
415.14600	2.0
510.76602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01386	22.5
61.50211	2.3
61.98837	100.0
71.01392	22.2
71.55896	2.3
73.02969	3.6
85.02968	6.3
87.00921	3.9
89.02464	12.9
96.96024	23.5
97.02958	3.3
97.35201	2.3
101.02467	14.5
112.06041	2.1
113.02449	7.5
113.09696	4.0
119.03487	5.6
119.05023	5.6
125.02456	4.0
136.28149	2.3
145.03011	3.2
145.65170	2.0
161.04576	4.4
162.85117	2.2
163.04037	4.2
171.10252	5.9
179.05711	3.5
183.13933	4.2
191.05632	2.6
209.11812	5.0
211.13429	4.2
227.13086	2.3
235.08220	7.6
275.20169	4.9
293.17950	4.1
293.21243	65.0
294.21582	6.0
305.08759	2.2
353.42325	2.0
397.13538	55.2
398.13922	4.7
415.14511	23.1
646.27258	2.1
751.36914	4.8
771.58331	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	751.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01106	2.6
59.01387	40.8
61.98841	87.4
69.03465	3.0
69.82239	8.8
71.01390	42.9
71.05007	2.6
72.99329	3.7
73.02972	4.4
74.39411	2.3
78.95908	2.3
80.96517	4.9
83.01417	5.5
83.05040	3.1
85.02970	11.7
87.00890	7.0
89.02457	33.8
93.03471	2.4
95.01394	2.3
96.96018	22.4
97.02943	4.5
101.02457	31.7
102.02818	2.2
113.02462	17.0
119.03515	8.9
119.05045	3.9
125.02474	10.8
141.01933	2.7
143.03511	5.2
145.02945	2.9
161.04559	6.5
163.04033	3.8
173.04608	1.7
174.14912	2.3
179.05630	6.0
179.61479	1.8
179.78891	2.3
191.05576	3.6
209.11824	3.4
223.16994	2.0
235.08293	13.8
235.17032	14.4
243.29839	2.1
253.09232	3.4
263.07736	2.9
275.20178	19.7
287.07593	3.4
292.20181	2.3
293.21271	90.3
294.21521	7.1
296.54483	2.1
299.08752	2.1
299.80481	2.1
305.08966	3.3
397.13535	100.0
398.13779	7.3
415.14655	39.3
416.14758	3.2
435.68079	2.0
550.60150	2.2
691.35773	2.8
743.70361	2.2
751.37982	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	751.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72259	3.1
59.01382	20.7
59.25335	2.4
61.98835	100.0
71.01395	11.3
71.55813	4.1
72.99294	2.8
73.02952	4.0
83.79556	2.5
87.00890	3.2
89.02439	6.5
96.96033	22.6
101.02457	6.6
113.02464	5.3
118.74097	2.9
119.03465	3.6
119.05008	3.7
121.03011	5.4
125.02506	3.3
145.02971	3.5
149.47888	2.9
163.04045	4.3
188.62637	2.6
191.05688	4.1
209.11832	3.7
235.08183	3.4
291.19736	3.1
293.21228	66.4
294.21594	8.2
397.13651	18.5
415.14612	25.3
592.70685	3.3
751.30780	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	753.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57122	0.6
57.03445	1.1
59.01385	6.6
59.77929	0.6
61.67424	0.7
61.98834	7.3
69.03456	1.0
69.83854	3.2
71.01382	7.2
72.99343	0.7
73.02942	2.3
81.03445	1.1
83.01402	1.6
85.02961	6.7
87.00916	1.4
88.98804	2.5
89.02431	2.8
93.03465	9.6
95.01397	3.4
96.96023	9.5
97.02946	1.1
99.00906	1.1
99.04572	0.7
101.02469	4.4
107.01427	0.6
107.05025	0.8
108.02183	65.1
109.02982	28.9
110.03330	0.6
113.02477	3.3
116.11736	0.7
116.92872	1.1
117.19701	0.8
119.03520	0.9
119.05005	0.7
120.13255	0.5
121.02995	3.4
123.00887	2.2
123.04538	1.7
124.07673	0.7
125.02459	2.6
132.02167	1.0
133.02977	3.5
134.03729	2.4
135.00905	4.6
135.04521	2.5
136.01622	0.6
137.02455	13.5
145.02983	1.2
147.04494	1.2
149.02446	2.3
149.06071	1.0
150.03262	1.1
151.04063	3.4
152.01166	76.2
153.01956	35.3
153.05501	0.8
154.02238	1.6
160.01680	1.7
161.02406	1.1
161.04515	1.0
163.04031	3.6
164.04791	1.8
165.01961	3.9
165.05559	1.1
166.02614	0.7
166.99858	0.7
167.03510	0.7
173.04568	2.7
175.00464	1.2
175.04074	2.1
176.01172	1.4
177.01939	32.7
178.02335	1.5
179.03496	1.7
179.05708	0.7
179.07126	0.8
190.02739	2.6
191.03816	0.8
191.05629	5.5
193.05043	2.4
205.05072	2.3
223.06055	2.1
225.04106	0.7
227.12732	0.7
243.22548	0.8
315.07239	100.0
316.07596	7.4
339.07205	50.4
340.07468	4.4
383.06216	55.0
384.06482	5.1
401.07327	12.6
402.07715	1.5
429.78198	0.6
639.83893	0.6
649.38373	2.0
650.38019	0.9
667.39508	1.0
753.25684	12.3
754.25708	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	753.298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01494	0.7
57.03458	1.0
59.01387	1.9
60.99317	1.7
61.23546	0.5
67.01907	7.6
69.03479	2.1
69.39832	5.3
71.01391	4.2
72.21286	0.6
72.30541	0.6
76.17308	0.6
81.03478	1.3
83.05051	1.4
83.74622	0.6
85.02941	5.0
87.00890	5.7
93.03467	48.4
94.03797	1.1
99.00883	0.9
99.04562	0.9
109.02981	1.5
110.67816	0.6
111.00908	1.1
111.04530	8.0
112.66203	0.7
113.02439	0.9
117.03484	1.9
127.04036	1.4
134.03757	24.9
135.04103	1.3
137.02473	4.9
149.06068	1.3
155.03513	5.1
173.04564	100.0
174.04903	4.0
175.04057	0.6
191.05630	99.6
192.05930	4.0
193.05057	16.6
193.25215	0.6
194.05481	1.0
367.10342	60.0
368.10660	7.3
411.95447	0.7
455.91934	0.6
485.44482	0.6
525.11902	0.6
570.60565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72645	1.4
58.16009	1.4
59.01389	8.9
61.98824	6.8
63.95412	1.3
65.46471	1.2
69.03447	3.4
69.43012	10.1
71.01383	5.9
71.05035	1.5
73.79546	1.3
75.00869	5.0
83.05047	1.6
85.02959	2.2
88.98817	3.0
89.02447	3.8
93.03528	1.3
96.96033	2.6
101.02448	4.1
113.02470	3.4
125.09740	5.3
151.11313	2.8
153.12866	1.9
161.04564	1.4
161.09744	2.8
161.55843	1.2
163.11275	1.6
171.10272	4.4
179.10849	7.7
185.39647	1.5
195.13902	3.9
197.10004	3.4
197.11848	70.7
198.12143	5.1
198.62177	1.4
199.13402	1.8
207.10205	3.0
209.11861	23.4
210.12329	1.9
211.13332	3.6
223.09721	1.6
223.13322	2.9
225.11333	5.0
225.33472	1.4
227.12874	4.1
241.10802	2.8
253.09398	7.4
275.20068	3.5
289.18073	3.7
291.19629	3.0
293.21359	10.6
294.21667	2.6
307.19208	8.5
309.20627	2.2
477.19647	1.9
516.02686	1.6
753.40692	100.0
754.41107	23.8
754.54492	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	754.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95111	0.2
59.01385	0.7
61.98839	100.0
62.98558	0.3
71.01381	0.6
71.58097	0.3
73.66042	0.2
77.77306	0.2
79.95779	0.2
80.96564	0.4
85.02992	0.4
93.03498	0.2
96.96030	1.4
101.02424	0.2
115.55184	0.2
119.05068	0.3
136.22403	0.2
163.04051	0.3
173.04608	0.3
176.62509	0.2
191.05640	0.3
207.10252	0.3
209.11893	0.7
225.11392	0.3
227.03569	0.2
235.70386	0.2
576.25787	0.2
754.35101	0.6
755.35358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.9
59.01396	1.8
59.34740	0.7
60.72420	0.7
70.29729	1.6
70.30083	1.8
71.01384	2.1
73.02952	1.8
83.01437	1.0
85.02966	6.9
86.11976	0.8
87.00890	17.3
93.03487	2.7
96.96035	1.2
101.02420	0.8
108.02171	0.8
109.02960	1.0
111.00890	1.1
113.02439	1.2
123.00882	1.2
129.01987	0.9
134.03760	1.0
135.04553	12.7
139.86415	0.8
141.04909	0.9
151.00444	1.0
151.04016	1.0
153.05566	0.8
161.02477	3.1
163.04034	7.7
164.04752	4.5
165.05598	1.7
166.02756	2.0
173.04578	6.3
174.03276	0.9
175.03960	1.5
176.04861	2.7
177.05637	0.7
178.06409	6.5
179.03523	14.5
179.07132	9.5
180.03908	1.2
181.05125	2.4
191.01982	1.5
191.03572	6.7
191.05623	25.7
191.07158	2.5
192.05988	2.6
193.05023	2.2
193.08676	1.5
194.05910	3.1
203.03619	2.3
203.07083	0.8
204.04271	0.9
205.05045	3.6
206.05901	3.5
207.06503	1.3
208.07404	1.5
209.08237	3.5
218.05843	1.2
219.02994	1.8
221.04587	1.8
221.08189	3.5
234.05360	1.6
237.07703	1.6
247.02448	2.1
247.06180	1.5
249.07744	2.3
251.09312	2.1
261.07684	1.3
262.04922	4.4
265.07214	24.3
266.07620	1.4
277.07172	13.2
278.07700	1.5
295.08258	15.5
296.08640	1.3
320.58661	0.8
353.08762	19.5
354.09198	2.6
355.10431	6.4
383.09692	4.2
401.10904	100.0
402.11353	11.6
447.11447	1.6
601.68384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68684	0.6
57.03441	1.3
59.01386	6.7
67.01929	1.1
69.03458	0.8
69.31254	5.8
71.01395	9.2
72.99321	1.4
75.00898	7.3
83.01385	0.6
85.02964	16.7
87.00896	4.9
89.02456	1.4
93.03464	6.6
95.01398	2.0
96.96026	8.2
99.00882	4.0
103.00397	1.1
107.05040	4.8
108.02203	1.0
109.02933	0.9
111.00902	0.9
111.04540	1.4
113.02465	12.0
113.07136	0.6
117.01929	0.7
119.05048	1.8
121.02955	1.3
123.04531	1.6
127.03970	1.5
129.02014	1.5
133.02969	3.7
135.04553	6.1
137.02429	1.3
139.00406	1.1
151.04021	7.5
153.01961	0.8
157.03130	0.8
161.02457	2.0
163.03996	5.4
169.05040	0.8
173.04564	7.7
179.03461	4.5
191.02008	2.4
191.05634	100.0
192.05991	4.0
209.03096	0.9
231.05194	0.8
249.06177	12.7
250.06592	1.1
253.91916	0.7
267.07257	17.8
268.07538	0.7
330.90656	0.9
337.09302	1.6
353.08841	19.0
354.09003	1.3
401.10919	90.0
402.11264	9.8
448.33215	0.7
606.31152	0.8
755.22198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
57.74998	0.3
59.01384	2.7
59.28690	0.3
59.52210	0.3
60.31004	0.3
60.99308	0.6
67.01897	4.3
69.03452	1.0
71.01390	3.8
72.99325	0.4
73.02938	0.3
81.03465	1.3
83.05038	0.7
85.02959	2.9
87.00878	2.2
89.02458	0.4
89.03983	0.5
93.03467	30.8
94.03816	1.1
96.96046	0.6
99.00892	0.4
108.02200	0.3
109.02956	1.0
111.00890	0.9
111.04538	4.8
113.02462	0.6
115.04047	0.4
117.03484	1.4
119.60740	0.3
127.04021	0.6
134.03749	16.8
135.04105	0.9
137.02466	4.8
149.06087	1.4
153.01988	0.4
155.03485	4.1
173.04559	100.0
174.04922	4.1
178.02782	0.3
191.05629	30.3
192.05986	1.1
193.05064	15.7
194.05463	1.1
202.21721	0.3
226.12682	0.3
229.62285	0.4
367.10336	37.9
368.10709	3.7
387.16669	1.1
656.94373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.5
61.98829	1.3
65.00319	0.7
70.88591	1.4
71.01386	7.4
73.02932	0.9
77.13644	0.6
82.30774	0.6
84.28053	0.7
85.02982	3.6
87.00867	1.2
89.02450	3.9
91.01909	1.5
93.03476	4.4
95.01405	1.1
96.96030	5.4
99.00903	0.7
101.02472	3.0
107.05029	0.7
111.00890	0.8
113.02432	2.9
117.03484	0.6
119.01385	5.7
119.03555	1.3
119.04995	0.7
121.02977	5.6
134.03728	1.9
135.04591	3.0
137.02478	4.2
141.03777	0.6
147.00911	5.2
147.04474	1.8
149.02454	29.5
150.03152	1.5
150.55054	0.6
151.04092	0.9
152.01151	1.7
153.01927	0.8
161.02448	0.9
163.04025	3.9
164.04810	22.9
165.01929	1.9
165.05389	1.2
169.04994	0.8
170.50093	0.6
173.04556	0.8
175.00378	31.8
176.00996	3.0
177.01936	1.0
177.05563	0.8
179.07135	3.2
190.02736	77.7
191.02061	0.6
191.03291	7.6
191.05583	1.6
192.04308	0.8
193.05042	0.9
194.02220	0.9
195.06651	1.4
205.05072	62.4
206.05563	4.2
207.02927	1.2
208.03729	1.0
209.04515	2.3
221.08240	1.9
223.06139	25.4
224.06499	1.3
250.04823	1.0
251.05588	0.8
265.07123	4.3
298.35638	0.7
316.65671	0.7
507.14993	0.9
701.51080	0.7
755.31329	100.0
756.31683	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	755.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01387	3.1
61.98848	3.1
63.48977	0.4
63.97638	0.5
69.92573	2.7
71.01379	1.6
73.02971	0.6
79.95743	0.8
80.96500	0.7
85.02956	1.9
87.00874	1.3
88.98793	0.6
89.02425	0.6
91.69974	0.6
96.96028	13.0
101.38883	0.6
111.08128	0.9
113.02465	1.4
113.06046	0.7
117.03452	0.6
118.71669	0.5
120.88654	0.5
135.08147	0.8
136.05309	0.7
137.06123	0.8
149.06087	6.4
150.06883	49.5
151.07304	2.3
153.09204	0.7
157.08752	1.1
161.09673	1.1
163.07672	12.1
164.08444	8.0
171.10309	1.2
173.04451	0.8
176.08397	1.8
177.09184	1.1
177.60754	0.6
178.10011	3.0
179.10788	12.9
193.08731	0.7
207.79744	0.6
209.11833	2.1
263.19989	0.6
279.23465	0.6
281.21466	0.8
325.23819	1.3
327.21774	4.1
328.22131	0.8
428.29321	1.6
443.31650	1.1
444.32129	0.7
446.30350	9.9
447.10754	2.8
447.30618	1.3
460.31912	1.7
461.32761	9.3
462.33157	1.9
488.31415	1.4
489.32321	2.1
506.32309	2.7
507.33273	20.5
508.33557	3.9
669.38684	1.7
670.38684	0.7
711.39667	100.0
712.39972	26.4
755.41296	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	755.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74960	48.4
60.98758	40.9
61.98826	97.9
62.60221	44.4
70.51108	57.1
70.51443	100.0
73.99845	39.9
78.95918	74.1
80.96555	66.4
89.93163	39.8
111.37125	53.2
196.96109	43.6
277.21600	89.5
286.98663	53.1
326.03021	48.9
439.28412	63.0
500.18506	52.3
544.01666	46.3
755.43817	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01387	7.9
61.98824	1.3
62.26765	0.4
62.38474	0.4
62.96949	0.4
65.58282	0.4
69.03451	0.7
69.73257	2.3
71.01389	3.4
73.02947	0.6
74.53751	0.4
78.95918	0.9
80.02683	1.1
81.03484	1.1
83.01407	0.4
83.05032	4.3
85.02956	1.5
87.00837	0.6
89.02443	1.9
95.05049	0.7
96.96026	4.6
97.02965	2.2
97.06611	0.8
101.02449	3.3
109.06586	0.8
111.08174	3.3
113.02455	1.7
125.02543	0.4
125.09740	0.6
127.56110	0.4
132.98518	0.4
137.09779	0.5
161.04544	1.2
163.04059	0.6
163.11302	3.9
165.12849	2.6
169.12332	1.4
171.10281	4.9
179.05644	0.6
181.12358	1.4
183.13922	0.8
191.05733	0.5
191.10767	0.6
195.13850	0.5
197.11856	16.0
198.12117	1.2
199.13451	1.1
201.11362	1.4
207.10294	1.7
208.10484	0.4
209.11845	100.0
210.12160	6.3
211.13379	2.6
225.11302	2.8
227.12898	11.8
228.13231	0.9
235.08286	3.2
243.10440	0.4
247.20732	0.8
251.16528	0.6
253.09322	12.4
254.09729	0.8
263.20105	0.6
265.18216	0.5
273.18756	0.6
275.20175	0.7
291.19662	15.0
292.20010	1.4
293.21295	4.7
309.20734	35.8
310.21170	3.6
347.04974	1.3
445.12509	0.5
445.21127	0.5
461.20923	0.4
499.60016	0.5
545.29999	0.5
755.42603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.0
61.98838	6.7
71.01411	1.8
71.56949	2.7
78.95899	2.0
89.02477	2.4
94.83955	1.3
96.96013	1.6
101.02487	2.0
145.82191	1.3
151.11342	2.7
169.12358	100.0
170.12662	4.8
171.10277	25.4
172.10747	1.7
235.08218	6.4
253.09200	6.3
277.21744	73.9
278.22079	6.2
297.63608	1.3
405.21158	6.7
431.19089	2.5
502.25003	1.4
595.00653	1.4
628.06519	1.5
709.41882	16.2
710.42053	3.3
727.42627	11.1
728.43060	2.8
755.42236	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	755.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72538	1.3
59.01384	9.6
59.96941	1.3
61.98847	11.0
63.55452	1.3
71.01375	2.7
75.18594	1.4
78.23252	1.3
81.94842	1.7
98.19865	3.5
101.02434	2.0
110.31724	1.5
113.02475	1.5
135.39816	1.3
151.11230	2.5
169.12366	56.0
170.12668	3.2
171.10280	14.9
179.05499	1.6
235.08215	2.5
253.09334	4.5
263.28009	1.5
277.21741	100.0
278.22070	10.9
288.20175	1.4
344.92023	1.5
513.30817	5.0
589.39453	1.6
709.41608	11.2
710.41589	3.4
727.42450	9.6
728.42102	1.8
728.96967	1.6
755.41919	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	755.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28132	0.6
59.01385	9.8
61.98844	3.7
71.01387	2.8
71.57561	1.3
78.95905	1.0
85.02950	1.0
87.00866	6.0
87.45177	0.8
88.00415	2.3
89.02496	0.9
90.42772	0.6
94.64297	0.7
96.96061	1.0
101.02460	2.7
113.02457	1.4
127.11293	1.2
133.25545	0.8
145.05180	0.7
147.74942	0.7
161.04616	0.9
163.57101	0.9
169.12332	1.8
180.66463	0.7
181.12402	4.3
191.04648	0.8
197.11888	1.1
199.13417	90.8
200.13763	6.4
208.75470	0.7
235.08197	3.8
238.94688	0.9
253.09303	16.3
255.23340	1.8
277.21747	100.0
278.22049	10.6
298.11926	0.8
401.62384	0.8
421.31583	0.8
435.22491	1.3
435.58432	0.8
459.35049	4.5
460.35251	1.2
755.42096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.4
61.98833	4.9
70.54241	0.9
71.01382	3.2
71.45695	1.3
77.53587	0.9
78.95930	1.7
82.80502	0.9
87.00865	1.0
88.50535	1.0
89.02495	1.3
101.02468	2.4
113.02474	1.6
143.03575	1.3
151.99409	0.9
159.92921	1.0
169.12393	2.6
181.12344	10.6
191.81540	0.9
199.13414	100.0
200.13731	5.3
209.11807	2.0
235.08316	2.0
253.09299	20.4
254.09529	1.3
255.23289	2.8
277.21738	65.9
278.22128	5.2
279.23257	1.7
346.91284	1.3
449.05756	1.5
459.34860	8.7
460.35074	2.1
755.41833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17397	2.3
57.03444	5.2
59.01381	24.2
59.57547	2.6
61.98840	30.4
68.11200	2.1
68.37837	2.1
71.01388	19.7
73.02946	5.0
76.56465	2.2
79.95733	2.3
81.03418	2.6
82.95425	23.6
83.01380	5.6
85.02990	10.8
87.00883	4.8
88.98800	4.0
89.02441	7.9
89.12998	2.0
93.03467	50.5
96.96036	20.1
97.02934	5.3
101.02462	15.3
107.05028	3.3
108.02178	2.4
109.02950	6.2
113.02460	9.9
117.03450	2.2
119.05013	4.9
121.02967	35.3
125.02441	8.9
134.03700	3.0
135.04526	5.5
137.02473	16.2
149.02461	28.3
149.06065	5.3
150.06891	32.7
152.01106	3.9
153.01944	4.5
163.04010	6.1
163.07675	15.2
164.04832	29.2
164.08369	5.3
166.02686	2.3
171.10316	5.0
173.04576	5.5
175.00401	35.5
175.03911	3.9
177.05585	2.5
179.03546	2.9
179.05647	2.8
179.07159	5.5
179.10840	11.9
181.05035	2.5
190.02744	73.3
191.03319	6.6
191.05618	13.1
195.06587	2.2
197.06100	7.2
199.07642	2.8
201.11392	2.2
205.05075	77.5
206.05658	11.7
207.10214	2.8
209.11868	12.9
221.08163	12.0
223.06149	42.1
225.11250	9.2
227.07127	30.8
227.12733	2.6
228.07559	3.3
237.07758	4.0
247.06075	3.4
253.09164	3.7
262.08475	2.3
265.07193	52.7
266.07581	2.6
273.91705	2.2
289.04315	2.5
295.08304	18.1
305.17706	2.7
307.08130	3.5
325.09195	21.4
329.06158	2.7
329.23438	3.3
367.10229	4.6
383.50641	2.7
385.11237	5.4
427.12601	19.4
436.90057	2.5
448.31985	4.5
461.20483	3.5
463.34381	4.8
469.13489	4.6
490.33322	3.2
508.33994	4.6
508.89117	2.4
508.98553	2.7
509.35233	18.7
529.15625	100.0
530.16479	11.1
606.28485	2.5
649.17535	11.6
653.31720	3.1
671.32800	6.5
713.41180	85.1
714.41205	10.0
756.42023	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	757.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72008	2.4
57.03457	3.8
59.01381	17.9
61.98836	23.4
66.39965	2.2
71.01413	16.0
73.02941	2.8
79.95727	2.8
80.02668	3.0
81.03458	3.6
82.95429	4.6
83.05042	5.5
85.02962	9.0
87.00873	3.0
88.98820	3.6
89.02460	7.1
93.03473	3.7
95.05046	2.4
96.96028	17.1
97.02991	3.0
99.00925	3.2
101.02438	8.6
104.64129	2.6
109.02995	2.6
109.06602	17.6
110.06915	2.3
113.02473	6.1
120.01272	7.4
121.06670	3.5
125.09720	2.5
135.04475	3.6
135.08083	2.2
137.02489	2.5
149.02394	2.9
150.06894	3.7
151.07599	2.7
152.01060	3.0
161.04610	5.3
163.11317	11.0
171.10280	3.0
178.02986	2.6
179.03496	2.6
179.05589	3.4
179.07169	3.6
181.12361	5.6
185.11920	5.1
187.03902	2.9
191.05603	6.7
191.10760	2.9
193.05045	2.6
207.10274	51.0
208.10588	3.3
209.11855	100.0
210.12206	6.5
213.14987	12.0
223.82329	2.5
225.11343	32.7
226.11943	2.4
227.12857	19.4
235.08257	4.9
244.33699	2.7
248.83244	2.4
253.09320	10.3
399.21759	3.5
417.23608	2.4
443.19144	3.9
461.20242	14.1
466.05936	3.1
509.31265	10.2
551.32623	2.4
635.30688	7.2
653.31592	4.5
671.32745	15.2
672.33209	4.1
689.34216	6.1
713.39941	5.4
739.32770	2.9
757.31543	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	757.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	78.5
86.51737	16.8
107.50626	19.6
118.60294	19.2
218.70775	17.2
225.11325	89.7
256.64948	17.5
259.70639	19.3
277.21790	99.9
461.20062	72.0
498.81503	22.4
514.78748	20.8
721.41687	30.1
757.39417	100.0
758.40198	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68011	12.8
61.98847	67.6
67.75291	15.0
68.16821	17.2
71.15446	14.0
85.02952	14.1
88.98782	17.8
91.89537	13.2
126.11099	17.9
207.10281	20.3
210.38956	14.9
225.11270	34.3
277.21768	100.0
333.84787	15.2
335.39893	17.6
461.20599	15.4
721.41638	20.4
757.39038	36.8
758.40576	22.7
773.54486	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	757.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
59.01384	5.0
60.46499	0.8
61.98836	5.5
65.68253	0.8
71.01382	3.3
71.56018	1.3
73.02949	1.3
79.95731	0.9
85.02973	3.4
87.00923	1.3
88.98820	1.2
89.01601	0.8
89.02459	1.8
93.03474	2.3
96.96023	5.5
100.88592	0.8
113.02464	1.3
119.05074	0.8
120.01229	2.0
121.02962	1.1
134.03755	1.0
135.04564	1.1
136.05316	1.0
137.02457	2.9
142.45479	0.7
149.02451	0.8
149.06104	7.2
150.06877	49.5
151.07300	0.8
153.02025	1.0
161.09734	1.1
162.06839	1.2
163.04123	1.5
163.07671	12.9
164.08420	6.9
171.10307	1.8
173.04576	2.1
176.08440	2.1
177.09229	1.4
178.10017	3.8
179.10773	12.8
190.02711	1.5
191.05611	2.9
192.40089	0.7
193.05139	1.2
205.05203	0.8
205.08591	0.8
209.11865	3.0
327.25342	1.3
329.23251	4.9
334.88043	0.8
353.08713	0.9
430.31439	1.1
448.31940	8.2
449.32443	1.2
462.33820	2.0
463.34372	9.4
464.34622	1.3
490.33130	4.2
491.33795	1.7
491.54642	0.8
508.33813	3.1
509.34882	19.9
510.34921	3.9
671.40686	1.5
713.41211	100.0
714.41534	24.3
757.32159	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	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42553	1.2
59.01384	31.5
61.98825	7.8
62.62803	1.0
63.12517	1.3
70.48784	3.2
71.01393	4.9
73.02954	1.5
78.95918	1.6
83.01408	1.0
85.02953	1.9
89.02450	4.5
96.96049	1.5
97.02950	1.9
98.52215	1.0
99.00887	6.7
101.02450	4.8
113.02458	2.6
125.09697	6.1
127.11284	6.7
137.09665	1.1
153.84778	1.3
155.10771	2.6
163.11287	3.8
165.09239	3.4
171.10294	3.1
181.12372	4.7
186.66121	1.0
199.09758	1.3
199.13377	11.7
201.11339	86.2
202.11740	5.1
207.10283	13.9
217.14471	3.1
225.11325	27.2
226.11736	2.5
243.12433	8.7
253.09271	8.7
257.08292	1.0
277.21738	41.1
278.22028	3.9
281.27637	1.0
295.22839	2.3
310.82709	1.1
321.68872	1.1
330.38138	1.1
393.92499	1.0
431.59494	1.1
437.20102	1.6
447.20087	1.1
461.14294	1.1
461.19836	6.0
475.56473	1.2
497.22458	2.0
629.84143	1.1
721.41620	4.1
739.42780	9.4
740.43408	2.2
747.80255	1.2
757.43860	100.0
758.44165	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.7
59.01385	25.6
61.98835	7.4
62.32593	1.1
71.01386	5.5
73.02959	1.7
78.95890	4.0
85.02925	1.3
87.00878	2.7
89.02419	2.4
96.95964	1.5
97.02980	1.0
99.00880	3.1
101.02441	4.3
110.17541	1.1
113.02447	2.4
125.02407	1.1
125.09719	3.7
127.11297	3.6
152.99568	5.1
155.10756	1.6
163.11298	3.2
165.09138	1.7
171.10272	1.5
174.92433	1.1
181.12402	6.4
183.10069	1.3
197.12090	1.2
199.13420	9.1
201.11319	38.2
202.11511	1.5
207.10286	8.2
207.46765	1.1
225.11331	15.7
226.11670	1.2
235.08221	4.6
243.12381	5.3
252.52115	1.2
253.09236	5.5
277.21738	79.6
278.22052	10.3
715.67255	1.3
721.41766	4.3
739.42786	9.2
740.43207	2.4
757.43854	100.0
758.44135	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87061	0.7
53.00309	1.2
57.03473	0.6
59.01383	8.7
60.02231	0.7
61.98835	3.0
68.99577	28.9
68.99949	1.6
70.28770	0.9
70.29118	2.2
71.01389	100.0
72.01717	1.5
73.02944	1.3
78.95927	1.5
85.02964	1.5
87.00886	3.2
87.61367	0.7
89.02457	1.9
97.02953	1.4
99.00890	0.9
101.02468	2.8
109.06591	4.3
112.98579	27.2
113.02476	2.5
114.93419	1.8
115.00368	2.4
115.03990	1.2
119.03588	1.0
120.47290	0.9
125.09734	2.2
127.11311	2.6
132.99559	0.7
145.05074	1.2
155.10789	0.8
161.04601	1.8
163.11353	2.2
171.10287	73.1
172.10585	4.4
181.08766	0.8
181.12408	1.8
199.09793	8.9
199.13409	1.7
201.11337	10.6
207.10301	11.5
208.10759	1.0
225.11337	8.7
235.08305	2.9
253.09291	9.5
254.09993	1.0
275.20404	1.0
277.21744	79.5
278.22168	8.3
311.17087	1.1
429.77353	0.8
435.18866	1.6
443.19348	1.5
461.20590	1.8
479.21661	0.9
520.48987	0.9
544.29205	0.9
545.19257	0.8
670.06287	0.8
721.41986	2.1
722.42657	1.5
757.43701	9.3
758.44391	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	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.0
61.98835	15.9
69.59357	5.1
71.01389	88.8
72.01706	2.2
73.02952	2.6
77.26898	0.9
78.95914	6.9
83.05038	1.5
85.02951	2.1
87.00886	1.9
88.98807	1.5
89.02460	3.1
96.96974	1.0
97.02930	1.4
98.20639	1.2
99.00896	2.0
101.02482	5.3
105.37288	0.9
109.06603	8.1
113.02437	2.1
123.66846	1.0
125.09728	2.8
125.96378	0.9
127.11302	3.3
130.21129	0.9
135.08147	1.4
137.09657	0.9
143.03522	0.9
152.99585	3.6
155.10745	1.7
161.04546	2.4
163.11267	5.4
171.10289	100.0
172.10641	4.0
181.08798	1.5
181.12329	2.5
181.13870	1.1
197.11903	1.6
199.09784	22.3
199.13428	2.6
200.10204	1.4
201.11337	20.8
207.10260	21.9
208.10664	1.3
209.11963	1.0
225.11356	16.3
226.11586	2.3
235.08194	2.0
243.12370	3.5
253.09337	12.5
277.21738	76.1
278.22086	7.6
283.15637	1.0
435.18790	3.8
443.19244	1.2
461.20218	7.5
479.21503	1.4
721.42145	4.6
722.41766	1.8
739.42975	2.7
757.43640	18.5
758.44043	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	757.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.6
53.19464	1.2
59.01384	10.5
61.15301	0.9
61.98824	3.5
62.91313	0.9
71.01388	92.1
72.01736	2.3
72.87873	0.9
72.99327	0.9
73.02939	2.3
77.19261	1.0
78.95901	3.2
81.03448	1.1
83.01403	0.9
85.02944	1.1
87.00879	1.6
89.02451	3.0
97.02941	1.7
99.00886	1.9
101.02441	4.9
109.06597	6.4
113.02470	2.4
125.09727	3.3
127.11296	4.7
135.08133	1.3
137.09712	1.1
152.99573	2.0
153.09265	1.4
155.10721	1.3
161.04591	1.8
163.11310	4.3
171.10283	100.0
172.10617	4.1
181.08736	1.6
181.12372	3.1
199.09775	15.8
199.13397	2.6
201.11337	18.8
202.11665	1.2
207.10281	22.6
208.34917	1.0
215.12857	1.2
216.98378	1.1
225.11340	15.4
226.11708	1.7
229.53502	1.0
235.08191	2.8
243.12425	2.3
253.09319	14.8
277.21744	73.5
278.22092	7.4
287.02051	0.9
311.22504	1.2
312.19278	0.9
423.33322	1.0
435.18909	2.7
443.19025	1.5
461.20212	4.5
473.66357	0.9
479.21149	1.4
561.20026	1.0
679.36749	0.9
695.39270	1.2
721.41614	3.6
739.42139	1.6
757.43591	17.9
758.44019	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	757.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.4
61.98832	11.5
70.12360	2.1
71.01389	90.3
72.99277	1.3
73.02938	2.3
78.95929	3.1
85.02935	2.9
86.55385	1.3
87.00902	1.3
89.02454	3.6
97.02941	1.6
97.06567	1.5
98.20555	2.0
99.00900	2.8
101.02452	4.9
109.06587	7.7
110.88321	1.3
113.02480	2.1
125.06127	1.4
125.09724	2.9
127.11297	3.7
143.03572	1.5
152.99574	3.8
153.09200	1.7
155.10843	2.2
163.11253	5.2
171.10287	100.0
172.10602	5.1
181.08675	1.7
181.12282	2.2
197.11671	1.5
199.09789	21.4
199.13425	2.9
201.11345	18.3
207.10269	25.4
208.10524	1.6
225.11298	16.5
226.11690	2.6
235.08257	2.3
243.12436	3.4
253.09271	12.9
277.21725	74.5
278.21948	9.2
292.61249	1.3
409.53882	1.4
435.18631	3.8
436.82104	1.3
461.20343	4.9
514.98175	1.4
519.14655	1.6
695.39929	2.0
721.42029	4.1
739.42389	2.8
757.43738	18.3
758.44037	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	759.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.0
61.98841	14.7
64.12775	1.5
69.44596	13.9
71.01389	21.8
72.99303	2.6
73.02940	3.7
73.22679	1.9
79.00597	1.6
83.01394	3.1
85.02953	11.4
88.98807	7.4
89.02460	10.1
91.05527	2.4
93.03461	6.8
95.01369	3.1
96.96021	19.6
101.02454	8.8
106.04236	2.0
107.05001	3.7
107.58035	2.1
108.02129	3.1
109.02965	4.1
111.00867	4.2
113.02428	5.1
114.25771	1.7
117.03439	4.4
119.03517	4.1
119.05009	3.9
121.02966	5.5
123.00880	2.0
123.04541	1.8
124.01617	2.0
125.02395	2.4
133.02979	30.6
134.03755	49.0
135.04544	86.7
136.04900	5.0
137.01479	2.4
137.02464	36.7
138.03185	1.7
139.04001	11.2
149.02399	8.1
150.03178	7.0
151.00406	1.7
151.03978	3.0
152.01184	2.2
159.04541	4.0
160.01646	2.2
161.02481	8.9
163.03987	3.9
164.04745	2.4
165.01900	6.1
165.05557	2.7
166.02687	5.8
173.04521	5.6
173.06009	2.9
175.04007	5.5
177.01952	33.0
178.02728	31.0
179.03517	65.1
179.07030	2.4
180.04137	3.7
181.05095	2.9
189.05547	2.1
190.02716	6.1
191.03499	1.8
191.05560	9.1
192.04303	25.4
193.01488	1.6
193.05083	20.8
194.05475	2.2
195.06619	3.9
197.04378	1.7
199.03961	4.8
200.04765	4.2
204.04178	1.7
205.05008	3.7
207.06679	16.1
211.04048	9.6
215.03401	3.0
219.87987	1.8
223.06020	3.3
227.03494	3.6
228.04205	9.3
229.05049	2.6
239.03416	6.4
243.06540	2.5
256.03809	13.7
257.04562	12.7
270.59628	2.2
271.03122	2.6
271.06140	51.9
272.06873	16.3
285.07703	10.0
286.08514	36.9
287.09210	25.3
295.05914	2.8
313.10693	2.3
325.10779	2.5
327.12274	1.9
337.09317	2.5
341.10156	7.9
367.10370	2.4
369.09796	22.4
370.10208	5.5
371.11206	10.7
372.11633	2.1
385.12759	2.6
425.12601	10.6
477.15680	3.0
513.18225	4.1
561.17261	6.9
597.19678	6.7
637.17896	1.9
675.23279	10.9
709.66327	2.0
710.82904	2.1
759.24890	100.0
760.25439	26.3
760.38593	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67559	0.7
59.01383	5.8
60.99295	0.9
61.98838	8.5
65.00323	1.1
67.01903	1.2
68.99559	1.6
71.01385	9.3
71.55906	0.9
73.02956	2.2
79.95731	0.7
81.03458	1.1
82.95414	0.8
83.01395	3.0
83.05003	1.0
85.02958	5.8
87.00867	1.9
88.98812	6.8
89.02453	2.3
89.99711	0.7
93.03471	3.5
95.01402	2.3
96.96030	8.3
96.99384	0.8
97.02969	1.4
99.00912	1.4
101.02463	5.4
107.01376	1.1
108.02206	0.8
109.02971	3.6
111.00865	1.5
112.98581	2.4
113.02470	2.8
116.05091	0.8
116.92889	0.9
119.03520	1.3
119.05058	2.2
121.02972	10.4
123.00890	10.9
124.01670	2.2
125.02444	2.1
127.00372	0.8
131.05042	0.8
133.02937	0.9
134.03751	2.8
135.04518	2.7
136.05258	0.7
136.98878	0.7
137.02449	14.8
138.03365	3.4
139.00395	2.7
139.04062	3.6
149.02431	2.3
149.06094	1.0
150.03200	2.8
150.06870	2.6
151.00383	9.2
151.04010	1.5
152.01094	1.7
153.01907	2.7
153.05573	7.7
155.03513	2.9
159.04413	0.7
160.01678	2.8
161.02470	1.9
161.04564	1.4
163.04001	2.3
163.07661	2.0
164.04796	1.4
165.01923	1.5
165.05573	2.9
165.09241	1.5
166.01302	1.2
166.02721	24.4
166.99852	4.4
167.03409	2.1
168.00624	2.9
171.10278	1.4
173.04541	2.6
175.00467	1.2
175.04034	5.1
175.36842	0.8
176.04822	0.8
177.01915	2.0
177.05573	1.4
177.09160	0.8
178.02676	1.4
179.03491	2.8
179.10805	1.8
181.01512	5.6
181.05089	22.1
182.02242	9.4
182.05460	1.2
183.03015	6.3
187.04034	1.2
190.02753	3.2
190.06274	1.2
191.01929	0.9
191.03485	2.8
191.05595	2.4
192.04254	1.3
193.05080	2.5
194.05852	0.8
195.06633	2.2
196.03815	1.8
197.04572	23.4
198.05019	1.7
201.11302	0.9
205.05109	4.3
206.05786	2.2
207.06581	1.0
209.02956	1.3
209.11813	4.0
211.06129	1.2
219.06688	1.1
221.08202	2.6
223.06091	1.9
225.03958	1.0
227.12929	2.1
297.04199	0.9
326.06445	6.3
327.07257	1.3
329.06671	1.0
339.08813	2.0
341.08786	100.0
342.09238	8.4
357.09952	0.8
364.00977	0.9
367.10245	0.9
372.12024	3.3
373.12897	1.2
387.10602	3.0
387.14590	10.8
388.11246	1.1
388.15488	0.8
402.13135	2.9
403.14008	11.2
404.14532	1.1
407.28198	1.8
417.15622	12.5
418.15878	2.0
453.17578	0.9
510.35901	1.0
511.36441	2.3
544.31250	0.8
563.24908	2.6
635.06702	0.8
687.32770	1.0
704.59808	0.8
715.39899	2.3
729.24023	1.5
759.24969	15.2
759.37408	1.2
760.25513	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	759.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	1.7
59.01386	24.0
59.42243	1.3
61.98838	6.3
63.99265	1.3
69.25896	12.5
71.01398	12.8
85.02942	5.3
87.00835	1.3
89.02464	7.6
93.02921	1.3
93.03460	4.9
96.96030	12.9
98.19926	3.1
101.02452	7.7
101.39249	1.2
106.04258	2.7
107.05015	1.4
108.02167	1.5
109.02921	2.3
111.00925	1.9
113.02434	4.6
117.03516	1.8
119.03498	3.1
119.05013	1.5
121.02953	5.5
123.00846	1.3
126.30656	1.2
132.02171	1.6
133.02971	26.5
134.03760	40.2
135.04543	77.2
136.04842	2.6
137.02449	25.0
139.04033	6.5
145.02913	1.5
149.02470	6.4
150.03169	4.0
151.04051	1.5
159.04489	2.1
161.02412	6.4
161.04593	1.3
162.03271	1.3
163.03976	2.8
165.01889	1.8
165.05553	1.7
166.02654	1.4
173.04550	3.6
173.06081	2.6
175.04056	4.2
177.00488	2.1
177.01950	24.7
178.02711	31.1
179.03520	51.9
180.03996	2.8
181.05086	1.7
191.05594	4.5
191.07217	1.2
192.04305	20.6
193.05029	16.6
195.06624	2.0
199.04030	3.9
200.04765	2.5
204.04231	1.8
207.06645	11.4
210.03235	1.6
211.03998	7.2
215.03490	2.6
227.03517	3.2
228.04225	6.1
229.05086	3.1
239.03467	6.8
243.06563	3.4
256.03778	9.5
257.04617	12.6
271.06134	41.9
272.06784	14.1
279.06409	1.9
285.04263	1.7
285.07709	7.8
286.08487	31.6
287.09247	25.5
288.09567	2.2
295.05829	1.7
297.07367	2.3
325.10797	1.7
327.12341	2.1
341.10019	4.0
355.66916	1.3
369.09900	16.5
370.10535	4.4
371.11398	8.9
385.13168	2.1
425.12335	9.2
477.15494	2.8
561.17499	6.9
562.18390	1.7
597.19781	2.0
675.22876	12.6
676.23059	2.0
759.25049	100.0
760.25250	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01386	12.3
61.98832	5.7
71.01386	8.0
71.27763	2.7
78.91901	4.9
80.91695	21.3
83.01405	1.8
85.02956	6.1
86.41709	1.2
87.00880	1.4
89.02468	4.3
90.37001	1.2
91.36243	1.4
93.03461	7.9
95.01389	1.8
96.91814	1.2
96.96029	18.3
101.02451	3.8
105.03471	4.2
106.04303	1.5
107.05096	1.3
108.02153	2.1
109.02976	6.3
111.00890	4.3
111.04563	1.6
113.02459	2.1
117.03445	2.1
119.03534	1.7
119.05026	4.3
121.02986	10.3
123.00889	3.2
123.04554	1.9
124.01640	1.5
132.02213	2.4
133.02977	54.7
134.03764	67.8
135.04549	57.0
136.01682	1.7
136.04878	2.3
137.02470	49.2
138.03229	2.7
139.04036	16.5
145.02946	1.5
147.04541	2.0
148.01588	1.3
149.02457	7.3
149.06099	3.7
150.03249	11.6
151.00359	1.8
151.04012	3.7
152.01170	4.0
153.02007	1.6
153.05606	3.0
159.04533	3.8
160.01712	2.4
161.02464	36.1
162.03123	2.1
163.03975	5.5
164.04779	4.1
165.01947	8.1
165.05626	8.0
166.02711	4.8
167.03447	2.9
171.04520	5.5
173.04562	4.0
175.04047	7.6
176.04759	3.3
177.01920	5.9
177.05563	2.1
178.02740	36.9
179.03514	40.0
179.07135	4.1
180.04128	5.1
181.05084	4.4
182.02257	1.9
187.04008	1.9
189.05659	1.4
190.02736	3.3
191.03404	2.2
191.05611	5.4
191.07164	2.3
192.04214	1.7
193.05096	20.5
194.05792	6.8
195.06602	4.5
197.04643	2.3
199.04070	4.0
200.04675	1.7
205.05069	4.3
209.02919	1.3
209.08260	4.4
211.04015	2.8
215.03557	13.0
227.03436	4.9
228.04193	4.4
239.03600	1.7
239.07204	2.2
241.05109	1.6
241.08537	1.9
243.06400	2.2
249.05460	1.6
251.07156	3.5
253.05144	1.8
255.03145	2.6
256.03818	5.4
257.04578	3.8
258.05399	2.4
267.06537	2.5
269.08209	11.4
270.05377	3.3
270.08429	1.3
271.06137	22.7
272.06573	2.4
273.07629	1.5
277.04977	3.0
278.05936	2.0
279.06580	7.6
280.07242	1.8
285.07681	7.2
286.08499	16.8
287.09265	3.2
293.08051	2.3
294.05615	1.3
294.08865	2.3
295.06024	8.2
295.09015	1.6
297.07816	2.4
301.10742	4.6
309.07700	2.3
310.08426	4.4
311.09201	1.3
325.10767	3.3
335.05399	1.2
337.07059	1.5
341.09879	1.7
353.06424	1.4
369.09827	64.1
370.10046	8.2
383.11496	2.1
385.12808	2.8
401.12460	1.9
403.14090	2.6
429.47128	1.3
450.13080	1.5
463.98657	1.3
465.15555	83.7
466.15775	9.7
477.14957	5.7
495.16702	18.0
496.16956	2.3
549.17706	100.0
550.17926	18.4
561.17853	10.3
562.17755	2.2
567.19031	2.9
579.09589	2.0
579.18817	32.5
580.18970	7.7
597.19855	60.2
598.20166	10.1
759.23883	12.8
760.25757	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	759.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08807	0.3
59.01379	1.1
61.98834	3.1
66.95932	2.5
71.01395	1.5
71.50908	0.3
71.55407	0.4
80.91692	1.6
82.95425	100.0
83.02527	0.5
84.00919	4.8
89.02459	0.8
97.02969	0.3
99.32841	0.2
101.02468	1.1
101.36925	0.2
103.00740	0.3
104.98633	0.3
113.02466	0.5
119.03528	0.5
125.02473	0.3
172.18153	0.3
198.44965	0.3
201.11362	0.3
209.11896	0.5
227.12877	0.3
229.67160	0.3
235.08203	0.4
253.09175	0.4
259.04935	0.3
264.97211	0.3
277.21747	2.6
295.22867	0.6
397.13541	3.6
415.14578	1.1
421.10663	0.7
439.11304	0.6
691.82715	0.3
698.33295	0.5
699.33118	3.1
700.32483	0.6
760.31091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	3.2
59.01382	33.3
61.98833	41.3
70.77502	4.4
70.77818	4.1
71.01387	24.4
72.99310	4.2
73.02931	3.3
78.95907	3.3
82.95434	3.1
83.01405	6.4
83.05025	3.2
85.02970	14.6
87.00869	4.2
88.98812	19.6
89.02455	9.0
93.03470	10.9
96.96027	24.0
99.00896	3.4
101.02470	13.9
101.66953	2.7
108.02201	5.2
109.02941	5.3
111.04559	2.9
113.02489	6.5
114.86926	2.5
115.73997	2.6
116.92857	4.8
119.03477	2.8
119.05087	7.7
121.03008	6.3
123.00892	2.8
123.04592	2.7
125.02434	3.7
127.00422	2.9
129.01912	2.8
133.03058	4.6
134.03777	5.0
135.04533	6.5
137.02454	13.9
149.02454	5.4
150.03212	3.4
150.06783	4.4
151.04060	2.6
151.07611	4.9
161.02510	4.2
161.04572	8.0
163.04028	7.2
164.04776	6.0
165.05495	3.7
167.03374	3.5
171.10255	4.6
173.04579	6.5
175.00406	2.9
175.03809	2.7
179.03467	6.4
179.05608	5.5
179.07178	9.4
181.05075	4.0
183.75041	2.3
190.02721	9.5
191.01956	2.7
191.05618	8.3
193.05106	3.7
197.04514	3.9
201.11380	20.1
205.05157	6.9
209.03024	5.3
209.11848	100.0
210.12100	5.0
223.06111	7.4
225.11401	6.6
227.12871	21.5
235.08315	6.4
253.09232	10.0
329.06671	6.2
337.09335	6.4
379.10486	3.5
387.29337	2.6
437.20120	2.6
445.20850	15.0
511.32617	15.4
629.31787	3.4
759.36108	31.0
760.36932	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	759.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	66.6
68.99549	23.3
71.01404	80.2
75.27526	14.5
78.95914	54.4
80.96510	50.1
94.34183	15.2
124.86080	14.0
152.99564	23.3
171.10306	100.0
193.36905	13.5
194.89096	15.1
199.09677	23.7
199.13438	18.7
201.11299	24.5
207.10356	25.5
209.11809	49.6
225.11333	33.8
227.12790	41.1
229.14421	18.7
235.08212	20.5
253.09326	22.7
277.21780	84.8
279.23242	71.1
290.36160	15.5
593.34729	14.5
759.40118	99.9
760.40039	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.31886	40.0
70.03510	38.6
71.55452	37.7
74.42436	34.9
75.28135	33.9
78.95921	33.9
80.96544	56.8
82.46377	30.0
95.56738	30.5
121.10340	33.9
142.78310	36.5
172.27173	33.0
177.30119	33.5
185.11826	44.5
197.30136	29.0
229.97093	36.0
279.23337	54.3
288.78323	35.5
381.00381	30.9
392.44617	36.1
406.79224	36.3
485.88373	41.9
500.75827	34.1
564.20117	35.9
759.40729	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20544	14.9
59.01374	20.4
61.98834	50.4
64.10738	12.4
71.01396	100.0
78.95901	73.7
80.96521	25.6
83.55039	13.2
90.75179	13.1
96.96031	37.7
152.99606	28.0
171.10301	83.4
190.94289	14.3
201.11357	24.5
207.10318	34.1
209.11887	34.5
225.11459	26.0
227.12889	39.1
229.12825	19.7
253.09230	24.8
277.21765	82.9
278.22043	17.9
279.23291	82.2
352.39539	14.9
447.21198	22.2
465.22681	19.6
617.24805	13.4
627.22620	14.5
692.29834	15.2
759.40765	76.3
760.42847	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	3.1
60.61895	2.7
61.29500	2.6
61.98838	18.0
66.91578	3.0
67.57735	2.6
71.01390	25.4
71.04635	4.6
71.04948	5.1
78.95918	4.3
83.05044	3.0
171.10243	16.5
199.09898	3.7
201.11453	3.4
209.11852	100.0
210.12241	5.9
227.12910	23.7
235.08191	3.5
253.09325	12.8
262.77164	3.5
266.42755	3.1
277.21762	71.5
278.22067	12.2
279.23215	11.3
445.21075	5.4
502.92184	3.2
759.40741	21.2
760.41962	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	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33482	5.4
60.58557	4.3
61.98836	6.9
65.14822	4.4
69.80944	4.3
70.28945	7.6
70.29279	9.4
70.56756	4.5
71.01394	49.9
73.52604	4.9
78.95915	19.8
80.99364	4.9
85.02946	4.9
98.02049	4.4
101.02465	5.3
115.28515	5.4
152.99562	12.8
171.10243	29.3
201.11227	7.2
209.11867	73.7
227.12909	14.8
235.08347	11.1
253.09283	16.3
277.21759	100.0
278.22089	10.5
279.23395	46.2
311.22272	8.0
359.56192	4.5
488.58157	6.1
759.42810	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	759.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20544	14.9
59.01374	20.4
61.98834	50.4
64.10738	12.4
71.01396	100.0
78.95901	73.7
80.96521	25.6
83.55039	13.2
90.75179	13.1
96.96031	37.7
152.99606	28.0
171.10301	83.4
190.94289	14.3
201.11357	24.5
207.10318	34.1
209.11887	34.5
225.11459	26.0
227.12889	39.1
229.12825	19.7
253.09230	24.8
277.21765	82.9
278.22043	17.9
279.23291	82.2
352.39539	14.9
447.21198	22.2
465.22681	19.6
617.24805	13.4
627.22620	14.5
692.29834	15.2
759.40765	76.3
760.42847	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.0
61.98840	15.5
62.92310	0.8
63.02284	0.9
66.67044	0.8
66.95930	4.1
68.95630	1.9
71.01390	6.9
81.03489	1.0
82.95427	100.0
83.17374	1.0
84.00922	30.8
84.95129	48.9
85.00459	1.5
85.02953	1.3
87.00871	1.9
89.02468	5.4
90.33580	0.8
92.72812	1.1
97.02981	1.0
98.19926	2.2
101.02448	4.2
107.20992	0.9
113.02471	3.6
119.03553	1.6
119.68436	0.9
123.00851	1.0
143.03465	1.3
151.50812	1.0
161.04530	0.9
179.05663	1.1
209.11723	1.0
235.08270	2.2
249.43147	0.9
277.21747	15.4
305.08905	1.1
348.61374	1.0
397.13538	23.0
398.13666	1.6
415.14413	8.4
416.15860	0.9
482.09613	1.7
697.33002	1.6
700.32819	3.0
761.62677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
59.01387	4.0
61.98836	8.2
65.00337	0.5
65.03978	0.5
67.01897	0.9
68.99824	0.7
69.27110	4.0
71.01393	8.0
72.67384	0.5
72.99323	1.0
73.02958	1.5
78.95931	0.7
79.95751	0.5
81.03484	0.9
83.01410	2.2
85.02973	3.5
87.00912	0.6
88.98820	1.5
89.02467	1.8
93.03465	1.8
95.01408	2.4
96.96024	14.5
96.99350	1.0
97.02980	1.0
99.00868	1.2
101.02454	3.6
106.06631	0.6
107.01425	0.9
108.02216	0.6
109.02971	2.0
111.00899	1.7
113.01776	0.5
113.02452	2.8
116.92925	0.7
119.05049	2.3
121.02969	10.4
122.00115	0.6
123.00893	7.0
123.04538	0.7
124.01686	0.9
125.02472	1.2
127.00377	1.2
134.03804	0.9
135.04543	2.0
136.98900	0.7
137.02466	12.2
137.03517	0.7
137.99640	0.6
138.03300	2.8
139.00389	2.3
139.04028	1.7
145.03026	1.3
147.04538	1.6
149.02499	1.1
150.03212	0.9
151.00371	0.7
151.04050	3.0
152.01163	1.0
152.04761	1.3
153.01959	2.3
153.05579	9.5
154.06042	0.5
155.03552	1.8
160.01726	0.7
160.04005	0.6
161.02489	1.0
161.04706	0.6
161.06036	0.9
162.03069	0.6
163.04016	5.0
164.04794	1.3
165.01950	1.4
165.05574	0.8
166.02734	1.4
166.06306	0.6
166.99861	3.9
167.03511	1.6
168.00629	1.0
169.01405	0.8
173.02415	1.0
173.04625	0.8
174.03159	2.4
175.04013	12.8
176.04784	3.5
177.05606	2.1
178.02670	0.6
179.03537	2.4
180.04303	6.0
181.01442	6.1
181.05072	1.6
182.02234	9.9
183.02998	5.2
184.03557	0.5
188.04826	2.1
189.05592	5.1
190.06367	12.7
191.03549	0.7
191.05579	1.4
191.07141	9.0
192.04272	1.2
193.05074	6.8
194.05814	4.9
195.06480	1.5
196.03807	1.2
197.04564	25.7
198.04950	1.7
203.07202	1.8
205.05136	1.2
205.08725	10.8
206.09082	1.1
207.06657	5.2
208.07414	6.8
209.02986	1.0
211.06116	1.1
222.08943	1.2
223.06136	1.0
225.04115	1.2
227.29181	0.5
237.04095	0.8
284.87238	0.5
287.23898	0.6
306.29922	0.5
311.04062	1.0
326.06503	6.3
327.07086	0.9
341.08777	100.0
342.09137	9.3
359.10938	0.7
374.13687	1.6
375.14484	4.3
389.16083	32.5
390.16348	5.5
405.15375	3.5
419.17374	1.0
563.18982	1.0
725.77686	0.6
761.26611	18.7
762.26624	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	761.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
57.03465	0.7
59.01387	3.2
61.98831	4.5
65.03962	0.5
69.17305	0.6
69.51437	4.2
71.01394	8.5
72.99367	0.6
73.02974	0.9
73.46227	0.6
78.95939	0.7
81.03487	1.3
83.01412	1.2
85.02950	3.1
87.00888	1.0
88.98803	1.5
89.00378	0.8
89.02502	1.6
93.03496	2.4
95.01425	2.0
96.96025	8.9
97.02967	0.7
98.88476	0.6
99.00934	0.9
101.02433	3.4
106.00581	0.6
108.02196	1.2
109.02986	2.2
110.00150	0.7
111.00931	1.6
113.02488	3.1
116.92893	0.6
119.05046	1.8
121.02961	7.2
123.00893	6.3
123.04622	0.8
125.02505	1.7
127.00400	1.2
134.03778	1.7
135.04559	1.6
136.98787	0.7
137.02458	11.0
137.99675	0.7
138.03267	1.5
139.00406	2.4
139.04036	1.2
145.03001	1.7
147.04559	1.9
149.02446	1.2
149.06067	0.9
150.03308	1.2
151.00368	0.7
151.04004	3.5
152.01201	2.1
152.04774	1.5
153.01973	1.7
153.05585	8.4
155.03511	1.1
160.01677	1.1
160.04030	4.0
161.02518	1.0
161.04500	1.9
161.06029	0.6
162.03111	0.6
163.04027	4.1
164.04822	0.6
165.01981	1.0
165.05595	1.5
166.02715	1.1
166.06386	0.6
166.99876	4.0
167.03442	0.7
168.00711	1.4
169.01431	1.0
173.02419	0.6
173.04553	1.5
174.03282	2.3
175.04004	12.2
176.04797	3.3
177.01868	0.7
177.05540	1.2
178.02806	1.2
179.03491	1.8
179.07133	0.8
180.04305	5.9
181.01418	5.7
181.05049	1.2
182.02216	9.1
183.02982	5.9
188.04823	1.7
189.05594	5.3
190.02670	1.2
190.06384	15.2
191.01941	0.8
191.03589	0.9
191.05629	1.3
191.07162	8.3
192.04396	0.8
193.05064	7.0
194.05862	4.9
195.06631	1.6
196.03775	1.7
197.04565	25.4
198.04996	1.6
203.07185	1.2
205.05066	1.2
205.08711	10.4
207.06619	3.1
208.07402	6.6
209.11919	1.0
211.06139	0.7
225.03987	1.5
281.06744	0.7
311.03900	0.8
326.06323	6.2
341.08780	100.0
342.09067	8.1
359.11075	0.6
366.08096	1.2
367.08566	1.8
374.13687	2.2
375.14536	3.5
389.16086	28.1
390.16434	4.0
405.15536	4.7
496.09247	0.7
521.51965	0.7
715.14362	0.6
761.26526	18.9
762.26941	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	761.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50055	18.7
61.98820	66.3
64.41660	19.1
64.55959	19.0
71.57705	27.3
72.45895	18.2
75.76293	17.2
78.95882	20.3
91.70179	18.3
99.85706	19.1
123.00772	22.7
185.11740	43.3
211.13644	36.9
277.21765	100.0
438.51285	19.9
484.52017	22.5
754.81439	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	761.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	27.0
153.36055	28.5
185.11829	53.9
211.13393	80.6
259.33444	30.5
277.21729	100.0
279.23395	28.6
444.10455	26.2
455.81583	27.6
761.42487	36.6
791.26288	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.56664	0.3
68.11526	0.3
71.01384	1.3
75.89845	0.3
83.01423	0.4
85.02959	6.3
87.00879	1.9
93.03455	2.7
95.01401	0.3
96.96041	1.5
99.04530	0.3
109.02959	0.7
111.04532	0.8
113.02483	0.4
120.99655	0.3
127.04025	1.1
133.02966	0.5
135.04532	2.1
137.02412	0.5
161.02473	1.5
165.13638	0.3
171.03009	0.4
173.04543	2.0
179.03516	1.8
191.05626	100.0
192.05957	3.5
201.56935	0.3
270.06058	0.3
320.85941	0.4
325.39871	0.3
353.08792	14.2
354.08978	1.8
700.60889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56425	2.5
60.20536	2.2
62.79858	2.4
69.15359	2.0
71.01386	7.9
71.57042	2.2
71.57507	2.3
78.98611	4.2
79.95750	13.9
80.96523	84.0
85.02965	2.9
94.98092	16.0
101.02458	3.5
122.97620	3.6
134.97557	6.9
148.77937	2.4
148.99146	7.6
152.98622	4.8
161.85129	2.6
164.98659	10.2
206.99765	4.1
225.00714	22.5
247.33556	2.5
275.58929	2.7
391.75391	2.8
451.72711	2.5
507.15179	3.9
763.39459	100.0
764.39728	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	765.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90031	0.6
57.03459	1.1
59.01386	9.2
61.98839	100.0
70.02110	2.3
71.01395	9.6
72.99329	0.8
73.02962	1.5
76.27089	0.6
78.95937	0.5
81.03499	0.9
83.01386	1.7
83.05039	0.7
85.02968	3.1
87.00906	2.3
88.98827	0.6
89.02457	6.2
93.03463	0.9
95.05011	0.6
96.96024	3.9
97.02983	1.7
97.06605	1.3
99.00927	0.8
101.02454	6.7
109.06641	0.8
112.02941	0.6
113.02459	3.4
119.03519	2.1
119.05066	1.1
121.06642	0.8
123.04594	1.0
125.02469	2.4
125.09757	1.5
134.03732	0.8
135.04579	0.7
137.02435	1.1
137.09753	0.6
143.03526	1.2
145.02975	0.8
161.04585	1.5
163.04080	1.3
163.11328	1.9
164.04897	1.5
165.12872	1.1
167.03601	0.6
171.10295	0.9
179.05722	1.4
179.07184	1.2
181.12424	0.7
185.11943	1.6
191.05710	0.9
191.14371	2.8
195.87938	0.6
207.10313	1.8
209.11871	6.8
225.11357	1.1
227.12953	0.7
235.08333	2.5
245.19102	5.0
253.09468	0.7
263.20187	1.0
289.18134	18.4
290.18558	2.3
307.15634	1.2
307.19177	23.7
308.19638	2.2
318.30151	0.6
325.20255	0.7
397.13544	14.0
397.56036	0.6
398.14114	1.2
415.14658	11.7
415.19733	0.8
416.14969	0.8
471.34079	0.7
687.32086	0.8
705.33923	2.3
727.24915	0.7
765.45953	0.7
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
58.57104	0.2
59.01382	0.4
60.99315	18.0
61.98832	0.9
70.30253	0.6
70.30652	0.5
71.01373	0.4
87.00889	0.9
88.00423	2.1
88.98818	100.0
89.02454	12.3
89.03011	0.5
89.99155	1.0
101.02463	0.2
133.21205	0.3
133.22166	0.3
160.61948	0.3
162.89645	0.3
247.36440	0.2
277.21689	0.4
397.13553	1.1
415.14542	0.4
775.60107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68031	0.2
59.01376	0.8
60.99315	16.6
61.98819	0.5
61.99643	0.3
65.85947	0.3
69.62095	1.7
69.87729	0.3
71.01392	0.6
72.76659	0.3
74.46844	0.2
80.96493	0.3
87.00887	2.7
88.00415	4.1
88.01215	0.3
88.98817	100.0
89.02452	24.4
89.99158	1.0
90.02814	0.4
98.20662	0.3
101.02486	0.3
125.02444	0.3
216.37381	0.2
277.21777	0.9
318.49051	0.2
397.13489	1.4
415.14404	0.5
462.51596	0.3
503.39682	0.3
530.34515	0.3
765.38287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00077	1.0
63.96246	1.2
71.01396	9.3
71.55614	1.4
73.02966	1.4
78.98593	5.2
79.95752	14.4
80.96524	76.2
83.84447	1.3
87.00890	3.1
94.98099	15.5
97.02960	1.1
99.00863	1.4
101.02427	2.5
103.02563	1.1
106.98090	2.6
110.93893	1.1
122.97580	3.2
125.02442	2.3
134.97572	5.4
136.99153	1.2
148.99146	6.7
152.98651	6.9
153.82768	1.0
164.98645	11.7
206.99777	3.2
209.11804	2.6
224.98694	1.5
225.00769	22.0
331.17532	1.3
387.91687	1.2
414.97482	1.1
475.29199	1.2
509.17059	3.0
756.54309	1.2
765.41016	100.0
766.41534	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42318	0.2
57.36501	0.2
57.56043	0.2
59.01387	0.8
61.61389	0.2
61.98835	100.0
62.98553	0.2
68.97086	0.2
70.84577	0.2
70.87997	0.4
71.01400	0.6
72.99294	0.2
73.02941	0.2
77.78875	0.2
78.21539	0.2
85.02965	0.3
89.02478	0.3
93.03472	0.5
96.96030	0.9
101.02448	0.3
111.04492	0.2
113.02522	0.2
135.04597	0.3
137.02441	0.3
160.10408	0.2
163.04105	0.2
171.10266	0.2
191.05679	0.3
209.12088	0.2
364.50543	0.2
393.14343	0.2
452.19052	0.2
519.86194	0.2
609.14606	0.2
767.46484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28307	0.4
60.99314	15.8
61.98825	1.2
64.59722	0.4
65.88744	0.4
77.45211	0.4
81.32159	0.4
86.42029	0.4
87.00872	0.8
88.00418	2.6
88.98817	100.0
89.02452	9.5
89.99170	1.0
98.19944	1.0
116.63414	0.4
191.85503	0.5
229.22884	0.5
279.23343	0.9
293.21255	0.8
305.24286	0.5
308.00400	0.4
397.13647	0.5
636.04755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.9
59.01387	21.2
59.97123	1.4
61.98839	100.0
67.93839	1.4
69.03446	1.5
69.30200	6.2
69.30621	6.2
71.01386	15.5
73.02961	3.1
75.11057	1.4
78.95936	2.0
79.95746	4.6
80.96535	13.6
82.70504	1.3
83.01400	3.7
85.02952	8.0
87.00869	3.2
88.98792	3.1
89.02473	8.2
93.03493	1.8
94.98079	4.4
96.96016	15.1
97.02949	1.8
97.41468	1.5
98.20677	2.6
101.02454	9.7
108.02162	2.5
109.02985	1.6
111.08186	3.8
113.02457	6.5
116.92819	1.6
119.05027	2.3
121.03027	2.5
125.02435	3.7
135.04485	2.0
137.02460	5.4
149.02478	4.8
152.01189	1.4
161.02452	1.6
161.04556	2.3
163.03972	3.0
164.04794	2.3
164.98637	1.9
173.04578	3.0
190.02736	3.9
191.05588	3.1
197.11841	18.0
205.05081	6.3
211.13393	3.5
223.06107	3.4
225.00743	4.8
234.91243	1.7
235.08144	1.6
291.19650	5.2
309.20731	39.9
310.21133	3.8
357.13397	2.4
397.13644	9.8
415.14670	12.4
455.66614	1.6
469.75949	1.7
519.11108	1.5
712.12512	1.6
767.31805	17.0
768.32611	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	767.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.1
61.98825	1.8
71.01389	3.2
71.56159	1.7
73.02965	1.1
78.21577	1.2
80.96524	2.5
85.02946	1.3
89.02423	1.5
89.88876	1.0
96.96020	7.9
101.02447	1.8
115.25748	1.1
159.26192	1.0
160.50432	0.9
165.33975	1.2
183.13979	5.9
193.12277	1.5
195.42667	1.0
209.96355	1.3
209.98183	1.0
211.13420	100.0
212.13779	6.5
235.08231	3.4
253.09309	7.0
277.21762	67.4
277.24380	1.1
278.22150	6.7
351.96472	1.0
429.21368	1.9
437.98895	1.1
447.22421	5.0
448.22174	1.3
507.48639	1.2
555.06427	1.5
767.39386	2.4
772.59576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
60.68002	0.2
60.99312	15.7
61.98812	0.3
69.33198	1.4
71.01410	0.8
72.99344	0.2
82.01359	0.2
83.01417	0.2
85.02953	0.5
87.00881	0.6
88.00420	1.0
88.01247	0.2
88.98816	100.0
89.02453	2.6
89.99136	1.0
93.03488	0.4
96.96023	1.3
101.02445	0.4
111.00860	0.3
113.02437	0.2
135.04524	0.6
137.02434	0.2
153.09279	0.2
161.02452	0.3
173.04527	0.2
179.03535	0.2
179.05580	0.2
190.02771	0.3
191.05655	0.6
229.14447	0.3
394.53482	0.2
463.58459	0.2
537.32611	0.7
538.32947	0.2
677.49292	1.0
678.50043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98836	100.0
62.98533	0.2
68.99581	0.2
69.47981	0.8
71.01384	0.8
73.02946	0.3
79.95750	0.2
80.96521	0.4
83.01384	0.2
84.41962	0.1
85.02930	0.2
89.02452	0.4
93.03506	0.3
96.96022	1.5
101.02472	0.6
109.02975	0.1
112.98591	0.2
113.02460	0.2
125.02496	0.2
135.04572	0.2
137.02461	0.4
149.02499	0.2
161.02470	0.1
163.04082	0.1
171.10228	0.2
173.04549	0.1
191.05589	0.3
197.11748	0.1
197.45619	0.1
205.05118	0.2
209.11884	0.2
223.06271	0.2
235.59795	0.1
291.19662	0.2
309.20871	0.4
310.21094	0.5
330.70560	0.1
357.13599	0.1
397.13647	0.3
398.14041	0.2
415.14569	0.4
416.14957	0.2
445.15329	0.2
595.79395	0.2
598.30011	0.2
708.35400	0.2
768.31921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62957	1.4
57.03432	1.3
58.00560	1.7
59.01389	57.0
71.01063	1.8
71.01396	19.8
71.56625	2.4
72.99314	2.4
73.02934	3.8
81.03445	1.6
83.01371	3.7
85.02951	8.6
87.00882	23.8
88.98827	2.2
89.02469	10.9
93.03445	3.9
95.01398	1.7
96.95996	5.5
99.00887	4.5
101.02454	13.1
108.02164	2.7
109.02923	2.3
111.00890	12.1
112.98792	2.9
113.02444	5.8
117.64980	1.5
119.01399	2.6
119.03484	4.8
121.02946	4.0
129.01920	2.0
132.04500	2.4
133.02910	3.2
134.03769	2.4
135.04477	4.6
137.02460	2.8
138.03186	2.4
142.99924	2.1
147.00882	2.3
147.04523	1.3
149.02480	14.6
150.03178	3.1
151.00369	2.7
151.03954	2.3
152.01065	2.8
153.01909	1.6
153.05556	3.5
161.02422	9.6
161.04549	1.5
162.03015	1.7
163.03954	4.4
163.11308	11.9
164.04790	20.0
165.01869	1.9
165.05489	5.1
166.02835	7.0
173.00845	2.5
173.04578	10.5
174.01697	1.8
175.00381	15.5
176.01118	2.5
176.04840	9.1
177.01912	4.4
179.03545	14.7
179.07158	15.2
181.05060	4.1
190.02753	46.9
191.01889	1.8
191.03394	10.1
191.05537	12.3
191.07147	4.2
192.04068	2.3
193.04999	1.7
194.02126	1.8
194.05803	12.8
205.05084	44.6
206.05560	5.0
207.02972	3.0
207.06480	2.4
209.04440	1.8
209.08174	16.2
219.02872	3.5
219.06488	1.7
220.03609	2.2
221.08168	3.0
222.05254	3.5
223.06155	12.0
234.05252	6.4
237.07571	4.0
247.05960	2.2
249.07652	7.1
250.04762	2.3
264.06259	1.7
265.07199	11.6
291.08694	2.3
321.09845	1.8
337.09213	5.0
353.08685	5.3
354.08655	1.5
367.10349	28.6
368.10541	1.8
387.16641	100.0
388.16949	10.5
633.18103	11.9
693.20392	8.8
725.22034	3.3
751.08929	2.3
751.20813	24.0
752.21368	4.2
769.21765	60.4
770.22449	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	769.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01386	100.0
60.01715	1.0
61.98838	2.2
71.01392	14.7
71.55401	1.2
73.02947	4.3
75.00861	0.9
76.34361	0.7
79.95746	1.0
83.01395	3.1
85.02956	10.4
87.00871	1.8
88.98833	1.8
89.02470	5.1
91.01921	4.2
93.03466	14.5
95.01387	2.9
96.96021	20.4
101.02451	11.3
108.02198	6.3
109.02954	2.6
111.00909	3.9
113.02467	12.8
116.92933	1.5
119.01369	1.7
119.03503	3.2
121.02976	5.2
125.02453	1.0
131.03485	2.0
133.02957	1.6
134.03743	2.8
135.04550	5.1
136.01636	1.3
137.02467	19.5
143.03508	2.9
146.03795	1.3
149.02473	2.0
149.04567	3.3
149.06056	2.0
149.15939	0.9
151.04024	37.4
152.01178	6.3
153.01897	3.5
159.04472	1.1
161.02478	2.0
161.04572	5.1
173.00967	0.8
173.04562	5.0
175.03979	1.2
177.01912	2.9
179.03464	3.7
179.05597	1.5
190.02693	1.4
191.01993	1.2
191.05615	16.4
192.06296	0.8
195.06628	0.9
201.11282	1.0
205.05069	1.8
209.11778	1.3
211.06061	1.1
218.01993	0.9
221.06561	1.4
229.01416	3.5
230.01997	0.8
233.04404	1.2
243.80632	0.8
270.01480	0.9
271.02490	1.7
281.06683	5.8
299.01926	2.9
313.03632	1.1
314.04260	2.6
315.07321	6.3
323.07605	1.4
325.13086	1.1
329.06561	5.7
339.07233	5.0
353.08679	2.0
367.08115	4.7
373.11588	1.4
383.06189	5.5
384.06216	0.9
385.09113	0.9
511.34973	0.8
565.15680	3.1
709.20514	1.2
769.21747	4.9
770.22833	1.1
787.93439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92579	1.0
56.73576	0.9
59.01393	6.6
60.99294	1.2
61.72871	0.8
61.98830	3.8
64.22235	0.9
67.01918	0.9
69.03467	1.0
70.31435	0.8
70.57204	1.9
70.57576	1.9
71.01392	7.8
72.99325	1.1
73.02951	2.3
74.94233	0.8
78.95908	1.1
81.03483	1.5
83.01422	2.2
85.02956	7.9
87.00910	1.5
88.98820	7.9
89.02466	2.3
89.54578	0.9
90.15185	0.9
93.03474	5.8
95.01357	1.7
96.96024	16.6
97.02952	1.2
98.95615	4.0
99.04615	0.9
101.02476	3.1
108.02190	59.1
109.02978	28.2
111.00912	3.0
111.04541	1.4
113.02448	4.0
121.02962	3.2
123.04565	2.4
125.02467	1.8
126.53578	0.9
127.04070	1.0
133.02960	4.3
134.03740	3.3
135.00877	2.6
135.04529	6.3
137.02435	4.2
145.02962	1.3
149.02490	1.6
150.03235	2.6
151.04008	2.9
152.01180	65.9
153.01962	31.4
154.02274	1.0
161.02412	2.0
161.04538	1.3
163.04010	2.6
164.04756	1.3
165.01927	3.0
165.05627	2.6
167.03574	0.9
173.01031	1.4
173.04619	5.1
175.04080	1.3
176.01262	2.1
177.01959	27.1
178.02600	2.2
179.03476	2.7
184.12665	0.9
190.02792	1.7
191.01950	0.9
191.03828	1.5
191.05641	11.2
192.05998	1.2
193.05106	3.7
205.05055	2.9
207.03070	1.5
211.06149	10.2
223.06175	1.4
229.01418	0.9
233.04466	1.4
253.70686	1.2
265.07141	1.2
280.07620	1.1
312.59131	1.0
315.07260	100.0
316.07553	5.8
339.07220	39.2
340.07578	2.1
373.11444	7.6
383.06238	50.5
384.06604	4.2
401.07407	10.2
402.07507	1.0
427.11505	1.0
769.25452	18.5
770.25537	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	769.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46615	1.1
55.11532	1.2
57.03428	1.8
59.01387	7.6
61.98838	85.6
63.96243	1.3
65.10790	1.3
65.51353	1.3
67.75143	1.1
71.01392	18.4
72.99327	1.3
73.02946	5.2
75.25402	1.3
78.98591	6.5
79.95747	13.7
80.96526	81.8
83.01400	3.1
83.05039	1.6
85.02976	7.8
87.00864	7.1
88.98790	2.0
89.02451	4.8
93.03466	3.9
94.98102	18.7
95.01373	1.9
96.96024	21.6
97.02956	2.4
99.92593	2.4
101.02459	6.6
104.95360	1.2
106.98097	2.8
109.02942	2.3
113.02470	2.5
113.69317	1.1
116.92873	14.1
117.30888	1.2
117.92861	1.3
119.03470	1.4
119.05012	2.3
119.09898	1.1
121.02986	1.5
122.97575	3.7
123.00854	1.3
125.02454	5.6
134.03729	1.2
134.97574	7.6
135.04535	3.8
136.99132	2.2
137.02428	5.6
147.28737	1.2
148.99167	6.2
152.01196	1.7
152.98663	7.2
153.01903	2.6
161.02489	1.7
161.04596	2.3
163.03984	2.6
164.74304	1.4
164.98640	17.4
173.04475	3.0
175.03973	1.3
178.02711	1.4
188.07191	1.2
189.01837	1.4
190.02777	1.4
191.01906	1.2
191.05602	5.7
206.99689	3.9
209.11832	4.2
223.06122	1.4
224.98651	2.3
225.00763	25.1
258.14111	1.3
269.55542	1.2
278.73376	1.3
321.08875	1.2
460.69208	1.3
509.17288	2.1
745.21051	1.3
769.33160	100.0
770.33649	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	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01389	10.9
61.98838	3.6
69.03464	5.1
70.83833	1.3
71.01400	8.1
71.55565	1.3
77.94402	1.2
83.05026	2.5
85.02952	2.4
87.00878	1.8
88.98804	1.3
89.02448	3.9
96.96014	3.9
97.02985	3.0
101.02475	6.6
109.03040	1.4
110.77361	1.4
111.08157	1.9
112.59816	1.6
113.02454	3.3
119.05016	4.0
125.09744	2.8
127.59840	1.4
151.11301	2.7
153.12894	1.8
161.09715	4.6
163.04015	4.1
163.11337	1.6
165.12851	1.8
167.06168	1.5
169.12343	2.9
171.10281	5.9
179.10765	7.1
191.05638	2.1
191.73576	1.5
197.11864	74.3
198.12161	5.0
201.11415	1.7
207.10307	3.0
209.11882	8.4
211.13455	2.5
223.09747	2.3
225.11333	3.9
227.12909	1.6
241.10881	4.0
247.39774	1.4
253.09309	5.7
289.17999	1.8
291.19531	5.8
293.21295	1.6
305.17737	1.5
307.19144	3.1
309.20697	5.7
327.21780	2.8
362.43698	1.3
367.12012	1.4
408.53647	1.4
446.45950	1.5
616.12946	1.7
769.40210	100.0
770.40540	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	769.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77667	0.4
59.01380	10.6
61.98834	5.6
71.01378	3.0
71.03690	0.8
71.04034	0.6
73.02972	0.7
78.81551	0.5
79.73012	0.5
80.96523	1.5
85.02959	0.5
85.06385	0.5
87.00895	0.6
89.02468	1.6
89.38030	0.5
94.98082	0.5
101.02463	2.3
113.02491	1.1
161.04628	1.1
179.05775	0.6
183.13901	8.1
184.14127	0.7
195.13911	9.1
196.14409	0.8
213.14977	66.1
214.15335	4.3
235.08208	4.7
253.09300	15.9
277.21738	100.0
278.22089	11.5
339.23206	1.1
367.48447	0.6
372.93738	0.6
458.93939	0.5
473.36255	2.3
513.30652	0.8
710.84937	0.5
769.39777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20557	0.2
57.03452	0.2
59.01391	1.2
67.01884	0.5
71.01392	1.2
71.56817	0.2
71.57253	0.3
74.90919	0.2
83.05031	0.3
85.02964	6.6
86.03300	0.2
87.00903	1.3
93.03475	3.1
96.96017	0.8
101.02440	0.3
108.02209	0.2
109.02993	0.5
111.00896	0.6
111.04545	0.9
111.95475	0.2
113.02521	0.2
121.02913	0.2
126.68581	0.2
127.04020	1.9
133.02979	0.7
134.03792	0.3
135.04546	3.1
137.02432	0.5
139.00400	3.6
147.03023	0.2
152.01141	0.5
153.01930	0.5
154.02737	3.7
155.03450	0.4
161.02428	1.9
163.03925	0.4
168.00642	0.2
168.04276	0.3
169.05087	5.1
170.05489	0.2
171.02982	0.5
173.04570	3.4
174.04881	0.2
177.01904	0.5
179.03484	2.3
180.03812	0.2
191.05634	100.0
192.05986	3.4
223.04707	0.3
306.07639	0.3
313.09308	0.2
350.14673	0.2
353.08804	13.3
354.09137	1.5
373.11429	0.3
401.10822	0.2
447.11667	0.5
501.99408	0.2
545.76746	0.2
590.57336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03455	0.7
59.01387	100.0
60.01725	1.5
71.01392	10.6
71.32692	0.6
72.99336	0.4
73.02956	4.2
73.24767	0.3
81.03461	0.3
83.01398	2.1
85.02966	6.3
86.00096	0.3
87.00932	0.6
89.02456	3.5
93.03495	1.3
95.01411	0.6
96.96061	0.8
97.02953	0.3
99.00887	1.9
101.02458	8.9
101.03086	0.5
107.01402	0.3
108.02203	0.3
109.03014	0.3
111.00929	1.2
113.02467	4.3
119.03567	0.4
125.02506	0.8
131.03549	0.5
134.03720	0.4
135.00957	0.5
135.04562	0.5
137.02481	1.2
141.29625	0.3
143.03502	0.7
149.04558	1.9
157.51701	0.3
159.03052	1.0
161.02487	0.9
161.04575	4.6
165.05606	0.4
166.02747	0.6
167.03574	0.6
168.99686	0.3
173.04391	0.4
179.03566	0.4
190.02907	0.3
191.03999	0.3
191.05630	1.5
193.05147	0.4
197.04539	0.3
203.88228	0.3
233.04552	0.3
269.10318	11.7
270.10760	0.8
311.07877	0.8
311.11328	5.7
312.11942	0.8
327.05374	0.4
415.16138	1.4
459.15231	0.7
567.01025	0.4
733.18768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90531	0.6
57.03455	0.9
59.01396	5.3
60.32086	0.6
61.98837	10.2
69.29563	1.1
69.29971	4.9
71.01378	4.2
73.02956	1.1
74.02441	0.5
79.95763	0.7
80.96511	1.0
82.95421	0.7
83.01381	0.7
85.02938	3.0
86.45616	0.5
87.00856	1.6
87.97177	0.5
88.98825	1.1
89.02435	1.4
93.03439	1.6
96.96025	7.8
99.04535	0.9
101.02444	2.2
108.02213	0.7
109.02938	0.7
111.04573	0.6
113.02453	1.4
119.03511	0.8
120.01241	0.6
121.02961	1.3
123.08172	1.1
125.02458	0.8
127.11227	0.8
133.02992	1.0
134.03700	0.7
135.04544	1.0
135.08191	1.0
137.02444	1.6
137.09738	0.7
149.02504	0.9
149.06061	2.5
150.06886	40.3
151.07324	1.7
152.01123	0.9
152.08240	0.6
153.01953	1.1
155.10835	0.6
161.02477	0.6
161.09795	0.5
162.06767	0.6
163.03946	0.6
163.07661	6.8
164.04820	0.8
164.08437	7.2
165.05507	1.1
171.10323	0.6
173.04559	1.4
177.09171	1.1
178.09967	2.0
179.03487	1.1
179.10793	18.3
180.11072	1.1
190.02725	1.6
191.05626	1.8
193.04962	0.9
205.05066	1.4
218.89828	0.7
223.06058	0.9
261.18549	0.9
263.16602	0.6
263.92715	0.6
306.18250	1.3
314.04218	0.9
320.19864	0.8
321.20831	0.9
329.06631	1.0
335.22330	0.7
341.23279	1.5
343.21222	5.0
350.21231	0.6
383.07742	0.8
462.30038	2.7
477.32187	6.6
478.32465	1.1
504.30823	1.0
505.31467	2.7
522.32001	2.2
523.32819	19.9
524.33136	2.5
591.37537	0.6
594.89325	0.6
685.38263	2.3
727.39154	100.0
728.39453	22.5
771.30902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.22274	21.5
67.34974	19.3
71.55431	40.0
72.99345	20.4
75.69939	20.8
78.95915	70.4
101.39990	20.9
104.73187	24.8
179.43210	22.7
180.25488	22.5
191.05615	39.5
223.13434	45.5
277.21884	32.5
279.23294	34.3
293.21176	66.1
771.42041	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	772.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.11743	0.6
67.31404	0.5
67.92964	0.5
69.21129	5.2
71.78339	0.5
78.95940	0.6
80.96539	1.4
98.20591	1.1
100.56404	0.6
136.75549	0.5
213.14980	1.4
214.15421	1.1
221.59192	0.6
260.70648	0.7
277.21738	1.4
278.22168	1.1
279.22809	0.6
283.10672	0.5
291.01001	0.5
372.26248	0.6
455.19949	0.5
462.58298	0.5
512.61316	0.5
773.43030	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	773.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01381	3.3
61.98835	1.8
64.68851	0.4
68.99836	0.5
69.54642	0.9
69.55051	1.7
70.63403	0.4
71.01389	5.0
72.99314	0.7
73.02943	1.3
74.45333	0.4
83.01373	0.6
85.02966	3.5
87.00885	1.0
88.98788	0.6
89.02455	1.5
93.03468	24.5
94.03796	0.7
95.01418	0.8
96.96038	2.6
96.99342	0.4
101.02454	2.5
108.02199	2.9
109.02943	1.3
111.00935	0.5
111.04459	0.4
113.02464	1.8
119.05022	1.0
121.02976	1.2
123.00883	0.5
125.02487	0.6
133.02983	0.8
134.03763	0.8
135.04492	1.9
136.01659	1.1
137.02461	27.5
138.02802	0.9
145.02884	0.5
147.04503	0.6
147.89255	0.4
149.02426	1.8
149.06030	0.5
151.00352	0.8
151.04062	1.0
152.01135	2.0
161.02420	1.9
161.04520	0.7
163.03986	0.8
164.04814	1.1
173.04564	1.9
175.00354	0.7
177.01965	1.0
177.05574	0.7
179.03510	1.7
181.04993	0.6
190.02716	1.8
191.03485	1.4
191.05573	2.2
193.05138	0.5
205.05106	1.2
223.06133	1.0
226.02782	0.6
227.03450	1.5
229.01450	0.6
250.03235	0.4
265.07205	0.6
270.01663	1.8
271.02484	5.9
272.02869	0.5
281.06863	2.6
285.04047	8.4
286.04391	0.7
299.02011	25.4
300.02451	3.7
313.03598	11.1
314.04346	27.8
315.04160	3.0
315.07407	1.8
327.05145	3.0
328.05881	8.6
329.06677	35.6
330.06964	3.4
339.07172	1.0
371.07550	1.0
383.06284	1.3
417.08246	1.4
501.27765	0.5
611.14075	100.0
612.14374	19.4
653.15320	0.4
711.29065	0.6
756.44147	0.5
773.19806	1.5
773.31897	1.8
774.18378	0.6
774.32257	1.0
785.78290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.2
59.93438	0.6
60.62289	0.6
61.58133	0.6
61.98841	10.5
69.03454	0.7
70.70353	1.2
71.01376	4.1
71.26472	0.7
72.99319	1.1
73.02952	1.6
83.01376	1.6
83.65311	0.8
85.02948	2.7
87.00882	2.6
88.98816	3.0
89.02459	1.5
92.96308	0.6
93.03456	3.4
96.96017	7.3
99.00877	1.3
100.01673	1.6
101.02464	2.7
108.02175	1.6
109.02934	1.6
111.00891	3.5
112.98856	1.5
113.02454	0.9
116.92867	1.1
117.03492	2.8
117.94542	0.6
119.05036	100.0
120.05358	4.3
121.02975	2.1
123.00860	1.7
123.04511	1.1
125.02496	1.0
132.02202	1.4
133.03008	1.1
134.03757	7.2
135.04553	3.4
136.01782	0.7
137.02487	3.2
145.02927	3.3
149.02428	3.8
149.06107	1.5
150.03239	4.2
150.06808	0.7
151.00342	1.4
151.04036	1.2
152.01186	1.6
153.01953	1.5
153.05571	1.2
160.01669	5.5
161.02425	3.4
163.04022	54.9
164.04709	4.1
165.01987	1.5
165.05560	4.3
166.02711	3.9
173.04559	1.8
174.01733	1.6
175.00424	1.8
175.04028	5.3
176.01021	0.7
176.04781	2.2
177.01968	2.9
177.05608	0.7
178.02773	1.0
178.06380	0.9
179.03503	6.0
179.07127	3.0
180.04286	1.4
181.05086	3.3
190.02751	5.0
191.03560	1.2
191.05618	2.4
191.07164	0.8
192.04259	2.0
193.05042	7.9
193.08580	0.8
194.05928	3.1
195.06615	2.7
197.04514	1.3
203.06987	0.7
205.05066	4.5
207.03056	0.7
207.06650	2.0
209.08174	2.2
218.02223	0.7
219.02943	1.5
220.03717	1.1
221.08255	1.5
223.06131	2.9
233.04475	1.2
234.05322	1.8
235.06165	1.0
247.06131	0.7
249.04176	1.0
249.07719	2.3
261.04062	0.8
262.04831	0.7
264.06607	0.8
265.07169	3.5
271.02509	1.1
276.06354	0.7
277.07220	0.9
291.08881	1.9
298.04462	0.8
298.24628	0.6
299.01978	2.2
314.04352	2.9
321.09946	1.1
329.06656	4.9
335.64056	0.8
337.09277	5.3
365.06729	1.9
367.10324	4.9
371.11496	1.0
477.11627	0.7
525.13544	4.1
563.17914	2.6
593.20251	1.0
607.18146	1.0
609.19867	1.2
611.21234	6.6
612.21649	1.2
621.20740	1.0
637.19501	4.8
638.19751	1.2
649.19397	2.2
683.16467	0.9
697.21649	2.3
709.21765	1.7
729.40857	1.7
755.22278	7.6
756.22375	1.6
773.22607	15.4
774.23297	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	773.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.2
59.93438	0.6
60.62289	0.6
61.58133	0.6
61.98841	10.5
69.03454	0.7
70.70353	1.2
71.01376	4.1
71.26472	0.7
72.99319	1.1
73.02952	1.6
83.01376	1.6
83.65311	0.8
85.02948	2.7
87.00882	2.6
88.98816	3.0
89.02459	1.5
92.96308	0.6
93.03456	3.4
96.96017	7.3
99.00877	1.3
100.01673	1.6
101.02464	2.7
108.02175	1.6
109.02934	1.6
111.00891	3.5
112.98856	1.5
113.02454	0.9
116.92867	1.1
117.03492	2.8
117.94542	0.6
119.05036	100.0
120.05358	4.3
121.02975	2.1
123.00860	1.7
123.04511	1.1
125.02496	1.0
132.02202	1.4
133.03008	1.1
134.03757	7.2
135.04553	3.4
136.01782	0.7
137.02487	3.2
145.02927	3.3
149.02428	3.8
149.06107	1.5
150.03239	4.2
150.06808	0.7
151.00342	1.4
151.04036	1.2
152.01186	1.6
153.01953	1.5
153.05571	1.2
160.01669	5.5
161.02425	3.4
163.04022	54.9
164.04709	4.1
165.01987	1.5
165.05560	4.3
166.02711	3.9
173.04559	1.8
174.01733	1.6
175.00424	1.8
175.04028	5.3
176.01021	0.7
176.04781	2.2
177.01968	2.9
177.05608	0.7
178.02773	1.0
178.06380	0.9
179.03503	6.0
179.07127	3.0
180.04286	1.4
181.05086	3.3
190.02751	5.0
191.03560	1.2
191.05618	2.4
191.07164	0.8
192.04259	2.0
193.05042	7.9
193.08580	0.8
194.05928	3.1
195.06615	2.7
197.04514	1.3
203.06987	0.7
205.05066	4.5
207.03056	0.7
207.06650	2.0
209.08174	2.2
218.02223	0.7
219.02943	1.5
220.03717	1.1
221.08255	1.5
223.06131	2.9
233.04475	1.2
234.05322	1.8
235.06165	1.0
247.06131	0.7
249.04176	1.0
249.07719	2.3
261.04062	0.8
262.04831	0.7
264.06607	0.8
265.07169	3.5
271.02509	1.1
276.06354	0.7
277.07220	0.9
291.08881	1.9
298.04462	0.8
298.24628	0.6
299.01978	2.2
314.04352	2.9
321.09946	1.1
329.06656	4.9
335.64056	0.8
337.09277	5.3
365.06729	1.9
367.10324	4.9
371.11496	1.0
477.11627	0.7
525.13544	4.1
563.17914	2.6
593.20251	1.0
607.18146	1.0
609.19867	1.2
611.21234	6.6
612.21649	1.2
621.20740	1.0
637.19501	4.8
638.19751	1.2
649.19397	2.2
683.16467	0.9
697.21649	2.3
709.21765	1.7
729.40857	1.7
755.22278	7.6
756.22375	1.6
773.22607	15.4
774.23297	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	773.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01383	4.1
61.98831	9.5
71.01400	4.4
71.58496	0.7
72.99310	1.1
73.02949	1.7
75.00890	1.1
79.95750	1.2
83.01405	1.6
85.02967	3.4
87.00876	3.0
88.98830	4.0
89.02454	2.3
93.03455	3.6
96.96021	8.7
99.00930	0.9
100.01687	1.1
101.02448	2.9
105.01933	0.8
108.02225	0.9
109.03002	1.2
111.00886	3.6
113.02474	2.2
115.00442	0.8
116.09718	0.7
116.92861	0.9
117.03477	2.9
119.05044	100.0
120.05394	4.1
121.03025	2.0
123.00906	1.9
130.02725	0.7
132.02228	0.9
133.02960	1.5
134.03780	7.4
135.04532	4.8
137.02483	4.1
138.03232	0.7
142.99832	1.0
145.03004	2.0
146.03748	0.7
149.02466	3.1
149.06096	1.6
150.03195	2.4
150.06906	0.9
151.00354	1.8
151.04073	1.2
152.01144	1.1
153.01978	1.7
153.05615	1.6
160.01656	4.6
161.02444	4.8
162.03253	1.6
163.04027	55.6
164.04691	4.5
165.01965	2.7
165.05637	3.2
166.02734	4.3
167.03494	1.1
173.04634	1.7
174.01733	2.4
175.00426	1.7
175.04008	5.9
176.04785	2.6
177.01955	2.6
177.05475	0.8
178.02711	1.3
179.03532	7.3
179.07208	2.8
179.10785	1.0
180.04240	1.2
181.05084	4.3
189.05716	0.8
190.02739	4.8
191.03519	2.3
191.05632	1.8
191.07179	1.5
192.04314	2.0
193.05035	6.2
193.08749	0.9
194.05852	4.4
195.06651	3.4
197.04596	0.9
201.05710	0.6
205.05110	5.1
206.05862	1.9
207.02992	0.9
207.06688	1.9
209.08141	4.2
219.02946	1.7
221.08157	1.7
223.06139	2.7
234.05377	2.8
235.06026	0.9
237.07729	1.2
246.05266	1.4
247.02483	1.0
249.03976	1.5
249.07684	3.2
264.06396	0.8
265.07190	2.7
271.06311	0.7
271.09744	0.6
276.06305	0.7
277.07211	1.5
291.08884	1.8
299.01962	1.4
314.04489	1.6
321.09882	0.9
329.06702	2.5
337.09381	8.1
339.08685	1.3
365.06778	2.9
367.10342	2.0
371.11453	1.3
525.14258	2.1
563.17908	2.3
593.20520	0.8
595.18866	1.0
607.18274	0.7
609.19958	0.9
611.21375	4.8
621.20477	0.9
637.19598	5.4
638.19305	1.1
649.19446	1.9
697.21619	1.4
709.21741	2.0
729.24725	0.8
729.40002	0.9
755.21826	9.1
756.21698	3.3
773.22247	13.5
774.22675	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	773.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03191	0.1
61.98521	0.1
61.98832	0.3
69.79350	0.3
69.79757	0.3
71.01385	0.3
78.95911	1.6
79.95744	3.6
96.96020	100.0
97.95960	0.3
103.60738	0.1
106.46255	0.1
135.59871	0.1
171.10216	0.2
240.50192	0.1
291.03958	0.1
293.21497	0.2
311.22476	0.1
435.08105	0.2
452.64212	0.1
453.09253	0.2
655.50598	0.1
713.30225	0.5
773.43048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.2
64.66622	0.1
70.71341	0.2
71.01400	0.1
73.85873	0.1
77.72711	0.1
78.95914	2.4
79.95749	3.4
94.92527	0.1
95.97628	0.1
96.96023	100.0
96.96899	3.1
97.95950	0.4
117.75877	0.1
118.96606	0.1
146.96069	0.1
178.29549	0.1
191.70441	0.1
217.00281	0.1
234.38908	0.1
246.16901	0.1
261.47607	0.1
277.21976	0.1
350.82642	0.1
361.04578	0.1
397.13535	0.1
407.17743	0.2
435.08069	0.1
453.09222	0.4
517.21814	0.1
593.26898	0.1
713.30646	0.5
744.37549	0.1
781.23639	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	773.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26630	2.9
59.01390	15.1
61.98844	18.6
70.66096	6.9
71.01388	12.1
71.28589	2.9
73.02951	3.6
77.35663	3.6
83.01373	3.8
83.05045	3.5
85.02969	5.7
89.02489	5.2
92.49329	3.3
93.03453	7.7
96.96020	16.0
101.02458	5.5
102.96344	3.1
113.02459	4.8
125.02446	3.3
137.02449	10.2
147.04474	3.2
163.04053	6.2
171.15862	3.6
183.13914	4.2
191.05644	4.9
192.04285	10.9
209.11844	100.0
227.12915	20.9
229.05374	3.5
235.08142	4.5
263.07831	3.4
382.49744	3.2
387.14307	3.5
445.20831	9.4
773.37164	24.3
774.38562	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	775.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01391	4.6
60.25510	0.4
61.98852	2.0
71.01382	2.9
71.56454	0.6
73.02948	1.5
75.00909	0.6
78.95933	0.7
79.95756	3.5
80.96523	0.6
85.02946	2.8
87.00887	0.9
88.98827	1.1
89.02463	1.0
91.01884	0.4
93.03452	2.4
94.98089	0.6
95.01423	0.5
96.96023	100.0
97.02943	0.5
99.00903	0.5
101.02459	2.2
107.05031	0.5
108.02211	2.4
109.02976	1.0
111.00886	0.7
113.02465	1.7
116.92825	0.7
119.03542	0.4
119.05019	1.7
120.99740	0.4
121.02947	1.7
123.04536	1.0
125.02457	0.7
127.05020	0.5
133.02953	0.5
134.03746	1.3
135.04559	2.1
136.01663	2.1
136.82904	0.5
137.02438	1.8
145.02979	0.6
149.02422	0.6
150.03221	1.0
151.03996	2.7
152.01147	1.4
153.01877	0.5
157.02956	1.0
158.03743	1.2
159.04471	0.4
161.02451	0.8
163.04007	1.9
164.04871	0.8
165.01936	1.8
165.05565	1.3
166.02667	0.4
167.03467	0.6
173.04533	2.3
173.06058	1.2
175.03987	1.4
177.01920	0.8
178.02718	0.6
179.03543	0.8
180.04268	1.0
181.05045	2.1
190.02713	0.8
191.04015	0.5
191.05595	3.5
193.05074	1.7
194.05624	0.7
195.06586	1.9
195.08133	0.4
200.01144	6.5
200.04773	0.7
203.03548	0.5
205.05086	1.2
205.08859	0.4
209.06190	0.4
213.05525	0.5
217.05017	0.9
221.05965	0.6
223.06059	0.8
225.07726	0.9
228.00676	11.7
229.01436	25.1
230.01747	1.3
236.04738	1.0
237.05556	2.3
241.04953	0.6
243.03001	18.8
244.03270	1.3
248.04568	0.5
249.05556	0.6
252.07820	1.0
255.06691	0.5
264.04288	1.3
265.05075	4.0
266.05762	1.0
267.06564	1.4
269.04764	0.5
271.09647	0.5
279.06586	1.8
280.07440	3.5
281.08215	0.9
282.08875	1.6
283.06015	1.3
284.03104	0.6
289.00317	0.6
292.03900	0.6
293.04535	1.0
295.09711	1.0
296.06677	0.6
297.07660	0.8
299.05301	0.5
307.02536	0.5
307.06039	0.7
308.03293	0.9
308.06912	2.0
309.07498	0.6
315.07407	1.1
321.07391	0.5
323.05612	0.6
323.09134	1.5
324.06357	1.1
325.09387	0.7
326.07825	1.3
336.02591	1.0
337.07288	0.6
339.08878	2.0
341.10306	2.0
350.04208	0.7
351.05078	3.9
352.05850	3.1
362.51227	0.6
365.06650	1.1
366.07330	1.5
367.08237	37.6
368.08554	3.6
381.09897	1.2
389.15894	0.9
409.09286	0.7
436.09250	0.5
565.20831	0.5
613.14264	0.8
715.18372	1.2
775.20813	20.8
775.33099	0.9
776.21106	4.1
790.02148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
59.01384	67.2
61.98833	8.8
69.25552	18.2
69.25951	4.9
71.01389	31.4
72.99311	3.1
73.02959	20.2
75.00890	2.0
83.01411	7.3
84.29230	1.9
85.02945	11.5
87.00887	5.3
89.02454	5.0
91.24588	2.2
93.03471	3.6
96.96019	9.4
97.02967	4.1
99.00886	4.4
101.02459	18.9
108.02156	6.3
109.02976	2.5
111.00835	2.6
113.02457	17.8
116.92876	3.7
119.05021	5.4
121.02941	4.5
123.04532	5.4
125.02477	11.0
134.03722	6.2
135.04530	4.3
137.02438	5.5
143.03497	6.5
145.02950	2.6
149.02431	4.5
150.03218	3.2
152.01126	2.3
158.03735	4.1
160.01674	2.9
161.02467	3.2
161.04515	3.5
163.03989	4.6
164.04677	3.1
165.01871	3.2
165.05554	4.2
173.04651	2.6
173.06067	7.9
175.03995	3.4
179.03506	4.8
190.02740	6.4
193.05058	4.5
194.05453	3.0
195.06647	6.2
197.06105	2.9
200.01172	19.0
202.02609	5.6
203.03531	5.2
203.05545	3.7
205.04965	5.1
209.06071	6.1
211.04041	2.9
217.05032	9.2
219.04497	2.7
221.06291	2.3
225.05353	2.1
228.00662	39.4
229.01408	37.4
230.01631	2.8
236.04689	10.6
237.05556	33.0
238.06050	4.4
239.07217	2.3
240.04195	2.5
241.05228	3.3
243.03001	78.3
244.03346	4.8
248.04677	4.5
249.05534	5.7
251.07018	3.6
252.07915	13.8
253.05090	9.1
255.06717	5.5
263.03589	4.4
264.04211	16.2
265.05069	44.2
266.05853	14.5
267.06647	24.2
268.03745	9.7
268.07117	5.7
269.04541	8.6
269.08197	10.1
277.05115	2.9
279.06573	15.0
280.04300	3.6
280.07410	38.0
281.04965	4.8
281.08185	39.4
282.05536	4.8
282.08841	19.0
283.06146	40.5
284.06644	4.7
291.02991	3.4
292.03787	5.1
293.04416	11.3
295.06363	4.9
295.09744	53.2
296.06848	14.8
296.09937	4.6
297.07669	19.3
297.11264	8.5
305.08554	3.0
306.05359	9.7
307.06009	8.9
308.03656	3.1
308.06873	13.5
309.03986	3.6
311.05582	5.5
323.05688	4.7
323.09219	36.1
324.06366	18.3
324.09592	3.4
325.07053	16.0
326.07922	16.1
327.05029	2.8
334.04736	4.6
335.05530	2.8
338.08032	2.5
339.08759	42.3
340.09000	6.7
341.10324	46.5
342.10806	3.6
347.09839	2.7
349.07184	34.3
350.07492	3.9
351.05066	6.1
352.05792	6.9
353.09949	3.0
365.06628	4.9
365.10718	5.3
366.07370	8.6
367.08221	56.2
368.08478	6.3
383.11398	5.8
411.10580	4.9
413.12195	7.0
439.10330	6.0
467.13571	9.1
468.10489	4.5
483.12955	8.7
485.14288	5.9
511.12473	8.2
612.21747	3.3
613.21686	4.5
629.18732	14.1
647.19775	3.8
671.19861	49.0
672.20129	8.6
689.20953	22.7
690.21240	4.3
715.19226	19.2
731.22174	25.6
732.22064	7.2
733.19910	8.2
739.32257	5.3
775.20844	100.0
775.34906	5.2
776.21204	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98830	1.0
71.01388	0.2
78.95915	2.7
78.96375	0.2
79.95747	3.1
96.96021	100.0
97.95988	0.4
98.20412	0.9
110.86068	0.2
120.11126	0.1
135.04494	0.3
142.71448	0.2
151.54367	0.2
152.99611	0.3
173.04564	0.3
191.05634	0.4
218.78645	0.2
277.21884	0.2
279.23285	0.3
453.09286	0.3
641.49622	0.2
709.20142	0.2
715.31854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81679	0.1
55.53720	0.1
58.69445	0.1
59.08345	0.1
61.98826	0.3
70.11102	0.4
78.95906	1.4
79.95751	3.4
94.92554	0.1
95.97628	0.1
96.96024	100.0
97.95953	0.5
145.71501	0.1
196.85493	0.1
211.13358	0.1
216.93851	0.1
232.73929	0.1
453.09009	0.1
495.44077	0.1
715.32330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33876	2.0
55.14030	1.9
58.46036	1.8
59.01382	4.3
61.98833	8.0
70.85392	4.4
71.01401	4.6
97.43406	2.0
101.02457	2.9
109.06595	5.0
137.32794	2.0
161.04588	2.5
163.11296	3.6
163.78201	1.8
171.10287	25.2
172.10640	2.7
173.04555	5.0
176.40352	1.8
181.08731	3.6
183.65619	1.9
199.09750	14.4
201.11284	4.2
207.10268	21.1
208.10641	3.1
225.11328	49.2
226.11673	2.3
235.08220	10.4
253.09225	14.7
277.21756	100.0
278.22083	11.1
407.19315	3.6
417.17749	2.6
435.19406	2.4
435.35245	2.1
440.90179	2.4
443.19208	5.6
461.20438	11.0
513.30756	7.6
695.40088	35.7
696.40540	8.7
721.41711	34.0
722.42230	7.3
775.40479	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	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
61.98820	10.5
68.07100	3.1
71.01385	7.7
71.18533	6.7
85.02946	3.5
89.02412	3.6
101.02452	3.8
108.06990	3.2
109.06628	7.7
163.11258	7.3
163.88304	3.1
171.10257	17.4
172.10628	3.6
177.66687	3.6
181.08647	5.3
189.09256	4.8
199.09789	41.7
201.11314	7.1
207.10292	54.6
208.10704	4.2
225.11368	54.6
235.08173	5.2
253.09325	20.3
277.21747	100.0
278.22177	10.4
279.22748	4.4
435.18729	16.5
443.19257	14.7
461.20370	16.3
577.66809	3.5
600.70984	3.9
695.40088	57.5
696.41180	15.5
703.41321	4.3
721.41656	56.2
722.41779	11.2
775.40277	16.4
776.39319	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	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22961	1.3
59.01391	2.9
59.04230	1.5
61.98842	7.1
71.01402	3.5
71.20357	2.5
71.20713	2.4
73.02930	2.2
81.91974	1.4
96.96043	1.9
97.02994	1.7
101.02480	2.4
109.06586	1.6
113.02496	1.6
124.84821	1.4
161.04559	1.8
171.10289	93.4
172.10626	5.4
173.04536	2.1
201.11324	2.8
207.10205	8.3
217.16666	1.6
220.32002	1.7
225.11336	47.2
235.08296	7.2
253.09308	10.2
277.21747	100.0
278.22067	10.6
314.78278	1.7
407.19354	10.1
443.19299	10.3
461.20227	14.3
513.30817	5.9
667.40771	4.8
721.41718	27.9
722.42078	8.2
775.40338	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	775.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	58.5
67.97669	34.7
71.12206	65.4
73.82727	36.1
79.48495	33.1
80.96558	32.6
105.60589	40.5
127.35406	33.7
131.43350	43.0
138.31932	35.0
174.76636	34.6
211.13396	57.3
277.21796	100.0
453.31525	41.1
634.84955	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95590	0.1
57.59352	0.1
59.01386	0.1
67.85731	0.1
69.20456	0.3
69.20880	0.6
74.74266	0.1
78.95910	0.9
79.95748	3.1
85.02953	0.1
93.03464	0.1
96.96022	100.0
97.95964	0.3
116.24391	0.1
136.28912	0.1
137.02473	0.1
152.01152	0.1
176.61504	0.1
190.02690	0.1
191.05659	0.1
193.05156	0.1
198.86047	0.1
388.16849	0.1
388.41461	0.1
546.09576	0.1
653.03046	0.1
775.46887	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57307	3.7
59.01377	4.2
61.98811	4.2
69.12348	3.3
70.30506	7.2
70.30893	7.5
73.78896	3.0
90.81319	3.0
91.99734	2.9
98.20589	4.4
139.66098	3.6
197.43985	3.5
201.11314	43.4
209.11829	87.5
209.13788	5.0
210.12210	5.7
227.12904	17.1
235.08284	8.7
253.09319	14.4
277.21729	100.0
278.22076	13.7
445.20685	6.6
513.30597	12.3
697.42218	5.3
777.40979	16.1
778.42090	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	779.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
59.06337	0.3
60.99308	0.4
67.01888	0.6
71.01401	1.2
73.02958	0.5
80.96530	0.8
81.03498	0.4
83.05051	0.6
85.02959	9.4
87.00882	2.1
93.03467	4.2
94.98050	0.4
99.04518	0.5
109.02973	0.7
111.04508	1.0
113.02474	0.3
126.49702	0.3
127.04021	2.7
158.60130	0.3
171.03030	0.5
173.04567	2.0
177.47731	0.3
191.05627	100.0
192.05942	3.4
212.89153	0.3
235.84169	0.3
295.09644	0.6
320.83350	0.4
561.39832	0.6
587.37341	1.0
588.37769	0.5
605.38690	0.7
779.43243	1.7
780.43665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.9
61.98832	4.0
69.03480	1.2
70.79460	2.3
70.79787	1.5
71.01383	3.6
74.79682	1.2
77.69327	1.0
79.95766	1.2
80.96534	8.5
85.02964	1.6
87.00870	1.7
89.02435	2.2
94.98084	2.4
95.01354	1.2
96.96045	1.1
101.02466	3.9
111.13006	1.1
113.02471	1.8
130.71742	1.1
134.97606	1.2
161.04553	2.1
167.10812	2.1
179.14453	3.0
195.13916	7.3
205.12372	9.3
217.27957	1.1
223.13414	100.0
224.13812	5.1
225.00870	1.9
235.08247	3.2
253.09297	9.9
277.21744	79.3
278.22107	8.9
401.59900	1.3
409.98795	1.3
459.22394	15.4
460.22574	2.1
510.59195	1.1
719.44275	2.1
779.39087	8.8
780.39233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
60.99318	0.4
62.90846	0.5
71.01379	1.4
71.58057	0.5
77.03981	0.5
79.01890	0.8
83.01372	1.0
84.81786	0.5
85.02953	1.6
87.00867	0.8
89.02416	0.5
93.03465	1.4
96.96008	3.4
97.02927	0.5
101.02498	0.6
107.01373	0.7
109.02947	2.0
111.00910	0.5
113.02450	0.6
119.05037	1.0
120.42489	0.4
121.02969	1.5
125.02478	1.1
133.01947	0.7
133.02966	12.0
134.03714	0.9
135.04558	2.4
137.02464	1.7
145.02972	0.7
147.04509	1.1
149.02414	1.6
152.01109	0.6
161.02454	1.7
161.04553	0.5
163.00359	1.6
163.04076	3.2
165.01912	1.8
173.04523	0.8
175.04033	3.2
175.27808	0.4
177.01949	1.1
179.03552	0.9
189.05559	0.6
190.02786	0.6
191.02005	0.5
191.03539	2.1
191.05568	2.5
193.01408	1.2
193.05081	0.6
195.06589	0.7
198.03246	0.9
199.03998	1.5
201.02042	1.1
203.03491	0.5
205.05215	0.6
211.04089	0.9
213.05573	1.5
215.03581	0.5
224.04922	0.5
225.05614	0.5
227.03436	0.5
240.04366	0.6
241.05116	0.8
253.05075	1.4
255.02983	0.7
255.06598	0.6
256.03705	0.8
267.06985	0.8
269.04660	1.0
281.04578	0.6
283.06320	0.6
284.03302	9.9
285.04004	7.9
297.00656	0.6
297.04089	15.5
298.04764	9.0
299.05621	18.3
300.06003	1.8
309.04010	0.9
311.05777	2.1
324.02444	0.6
325.03506	0.6
327.05124	100.0
328.05484	9.2
339.05219	3.3
341.06528	0.6
357.06180	26.5
358.06555	3.2
369.06165	2.6
383.07526	1.0
393.06119	0.9
447.09369	94.9
448.09662	12.4
623.11298	0.6
680.81903	0.5
734.19141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
61.98839	2.0
66.67258	0.5
69.53719	3.4
72.99318	9.1
75.00887	4.5
87.00882	1.9
103.00390	2.6
104.00748	0.5
104.03557	1.0
105.01948	100.0
106.02290	1.7
117.92736	0.6
190.90205	0.5
247.02708	0.5
695.64063	0.5
738.27124	0.6
806.48962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.9
59.01387	13.5
61.98829	1.8
67.07360	0.6
69.03458	0.6
71.01395	3.6
71.05022	0.8
72.99320	0.6
73.02947	0.9
78.98595	0.6
79.95757	1.1
80.96522	3.6
85.02967	1.5
87.00895	1.2
89.02446	2.1
94.98100	0.8
95.01390	0.7
96.96021	1.0
97.02966	5.1
97.06584	0.6
99.00903	7.5
101.02463	2.6
109.06590	1.2
109.21360	0.6
110.03694	0.7
113.02470	1.4
117.23917	0.6
119.03556	1.0
125.02471	1.3
125.09738	2.3
135.08202	0.7
142.02716	1.7
163.11293	4.4
164.98631	0.6
179.05598	0.7
179.10866	0.7
181.12363	8.6
197.12030	0.6
207.10289	29.4
208.10635	2.3
225.00754	1.8
225.11349	60.0
226.11707	3.7
233.22745	0.6
235.08235	3.4
243.12444	6.6
253.09325	3.4
277.21747	100.0
278.22119	9.2
297.22229	0.5
328.00882	0.6
357.52328	0.8
443.19101	5.7
461.20334	10.3
461.26270	1.0
462.20663	1.3
513.30890	0.7
553.54596	0.6
634.75500	0.5
721.28815	1.2
721.41650	22.4
722.42151	4.8
781.40570	4.7
782.41431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.6
58.37181	0.5
59.01105	0.9
59.01386	15.1
61.98836	0.9
69.57317	0.5
71.01398	6.0
71.05031	1.0
71.28062	1.0
73.02965	1.6
80.96523	1.7
85.02945	1.9
87.00874	0.9
89.02454	2.3
95.05032	0.5
97.02952	6.2
99.00891	10.1
101.02474	2.8
107.52005	0.5
109.06620	1.2
110.03754	1.2
113.02451	1.4
119.03497	0.8
123.08183	0.7
125.09750	2.8
125.10538	0.5
135.08148	1.0
136.05316	0.9
137.32208	0.4
142.02715	2.3
149.94144	0.5
161.04565	1.3
161.09723	0.6
163.11305	8.1
164.11647	0.5
181.12357	16.0
181.13963	0.8
182.12701	1.1
183.23155	0.5
189.09166	0.7
197.11755	0.9
199.13431	1.3
207.10280	48.5
208.10631	3.0
208.74023	0.5
225.11337	100.0
226.11716	7.1
235.08240	1.9
243.12407	10.9
244.12794	0.9
253.09311	3.6
277.21744	85.6
278.22098	9.3
299.15039	0.8
317.16403	0.6
443.19171	3.5
460.22327	0.5
461.20322	43.7
462.20578	5.4
712.53650	0.6
721.41754	26.2
722.42175	6.3
781.40057	2.4
782.41486	1.0
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
54.99438	1.7
59.01384	21.7
61.98580	2.0
61.98840	23.3
66.27326	1.8
69.34612	10.4
69.35018	4.5
71.01383	7.6
73.02931	2.7
79.95729	4.7
80.96520	25.3
81.03479	3.2
83.05003	3.7
84.95151	1.5
87.00861	1.9
89.00468	1.6
89.02459	3.9
94.98076	6.6
95.04987	1.8
97.02960	7.1
98.20683	3.0
99.00889	2.9
101.02420	4.4
102.04325	1.8
103.50158	1.7
109.05902	2.3
109.06604	31.2
113.02468	4.8
121.06618	3.2
125.02414	2.2
134.97548	1.7
135.08182	4.6
148.99155	3.6
152.98633	2.1
161.09743	3.6
163.11296	25.1
164.98605	5.2
172.20013	1.8
179.05702	2.5
181.12361	5.1
189.09167	3.8
207.10274	100.0
208.10599	7.5
225.00734	6.6
225.11343	41.9
226.11673	3.5
235.08267	3.5
253.09294	16.3
254.31419	2.0
277.21741	86.8
278.22061	6.0
279.23230	2.6
441.33698	2.5
443.19110	6.5
461.20334	12.8
721.41779	33.2
722.42688	8.3
781.40509	31.3
782.41290	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	782.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37021	1.0
61.98837	2.2
71.02505	1.1
71.55364	1.3
77.23698	0.8
78.16349	0.9
80.96531	1.0
82.06632	2.2
84.08196	1.1
87.05636	7.4
88.91885	0.8
93.43394	0.8
93.84545	0.8
94.06628	1.0
96.96017	1.3
97.04082	1.3
98.02502	1.5
99.09773	0.8
111.02047	1.2
112.07710	2.2
113.03589	1.3
117.33430	0.8
117.56815	1.0
118.06598	1.2
121.04092	2.0
127.08801	1.3
129.10367	23.8
130.08728	2.6
139.08803	5.1
140.07175	5.3
140.67096	0.9
146.06116	2.4
149.41214	0.9
153.10335	2.0
154.10558	0.9
155.08282	5.6
155.11844	1.7
164.09575	4.7
165.10345	6.6
167.08231	1.1
178.41780	0.8
180.11446	1.1
181.09784	1.2
182.12999	4.0
183.11403	3.1
185.11610	1.0
191.05621	1.5
197.16556	4.1
200.14076	7.4
207.15057	19.4
208.15289	1.7
209.11891	1.1
216.14000	1.6
223.12065	1.5
224.17700	8.6
225.16066	4.8
237.97131	1.0
241.13431	1.9
242.11847	2.0
242.18761	12.9
243.18985	1.1
259.14380	4.7
268.16772	1.3
268.20352	1.7
269.21207	1.9
276.17374	1.3
277.21729	2.1
293.21179	1.0
295.21365	8.2
310.24896	1.4
312.17123	3.0
313.22528	3.6
330.18323	2.8
337.26108	8.5
355.27127	4.0
433.79715	1.1
539.39380	5.3
556.35040	1.7
573.37952	6.0
574.37537	1.1
615.42157	2.1
782.51892	100.0
783.52136	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12797	0.1
59.01386	0.3
61.98837	100.0
70.02922	0.5
71.01392	0.2
74.68700	0.1
78.98573	0.1
79.95748	0.2
80.96519	1.2
83.05054	0.1
94.98076	0.2
97.03005	0.1
99.00837	0.1
101.02480	0.2
185.11845	0.1
207.10342	0.3
208.10899	0.1
209.11848	1.6
210.12234	0.6
225.00874	0.4
225.11418	0.4
226.11754	0.4
227.12915	0.2
229.14452	0.1
253.09508	0.1
277.21793	1.5
278.22125	1.0
279.22186	0.2
463.20880	0.2
724.42719	0.1
733.10352	0.2
784.41895	0.8
785.38092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12797	0.1
59.01386	0.3
61.98837	100.0
70.02922	0.5
71.01392	0.2
74.68700	0.1
78.98573	0.1
79.95748	0.2
80.96519	1.2
83.05054	0.1
94.98076	0.2
97.03005	0.1
99.00837	0.1
101.02480	0.2
185.11845	0.1
207.10342	0.3
208.10899	0.1
209.11848	1.6
210.12234	0.6
225.00874	0.4
225.11418	0.4
226.11754	0.4
227.12915	0.2
229.14452	0.1
253.09508	0.1
277.21793	1.5
278.22125	1.0
279.22186	0.2
463.20880	0.2
724.42719	0.1
733.10352	0.2
784.41895	0.8
785.38092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.5
61.98837	2.8
62.70981	0.4
91.18961	0.5
93.05396	0.5
108.90215	4.3
120.02262	0.6
121.02969	100.0
122.03256	2.8
165.01933	2.4
173.04585	0.6
180.05954	0.8
181.06607	1.8
191.03502	2.3
191.05595	1.6
197.11928	0.8
209.04570	64.6
210.04839	3.9
225.05617	2.7
229.67537	0.6
313.07175	5.1
357.06238	1.7
401.08786	10.8
402.09094	1.5
459.47333	0.6
517.07788	0.6
549.10388	0.7
600.46088	0.7
649.69904	0.6
731.39050	0.7
782.02832	0.6
785.17133	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	785.1934
Annotation	Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside
Peak:m/z	Relative Intensity
59.01388	8.3
59.87580	1.4
61.98824	4.3
66.98736	1.4
69.03465	1.9
70.29541	5.3
71.01393	7.1
73.02912	2.6
78.95924	2.1
81.03453	1.6
83.01392	3.4
84.33522	1.6
85.02931	8.8
87.00838	2.0
88.98792	2.4
89.02449	3.9
93.03481	11.0
96.96021	16.4
97.02921	2.0
101.02438	5.4
108.02153	5.7
109.02947	6.7
111.00896	3.3
113.02441	2.9
118.28851	1.6
119.03500	3.0
119.05019	2.1
121.02962	8.6
123.00861	2.6
124.01642	3.5
124.44660	1.4
125.02477	9.6
129.01921	2.4
132.02147	2.0
133.02957	19.9
134.03699	2.6
135.04556	10.9
135.36217	1.6
136.01628	1.6
137.02461	8.4
145.02841	2.0
149.02449	23.0
149.99576	3.1
150.03003	2.1
151.00359	2.4
151.04021	2.3
152.01169	7.0
153.01927	3.7
155.03479	1.9
160.01732	1.8
161.02408	6.2
162.02235	2.1
163.00366	3.5
163.03952	5.3
164.04836	9.4
165.01837	3.0
165.05550	2.9
167.03503	3.2
168.00700	8.7
173.04584	13.7
175.03981	6.4
177.01906	4.6
179.03459	6.0
181.05051	2.2
190.02734	3.6
191.03490	5.0
191.05598	13.0
193.01315	2.0
193.05005	4.1
199.04013	2.1
201.01930	2.1
205.04974	4.1
207.06549	2.2
209.03046	2.0
223.06075	3.7
225.05635	1.8
250.90121	1.7
251.03555	1.4
253.05147	3.5
255.02933	5.6
267.06552	1.9
269.04510	5.8
270.05276	2.3
271.27512	1.5
281.04684	1.6
284.03293	13.3
285.04053	34.3
286.04599	3.3
297.04071	44.2
298.04825	32.0
299.05563	20.1
300.05927	2.8
309.04138	2.1
311.05563	8.1
324.02524	3.4
325.03448	3.5
326.04245	3.5
327.05109	100.0
328.05426	12.4
331.06812	11.7
339.04968	13.9
341.06696	2.9
356.05325	4.0
357.06183	90.4
358.06500	10.2
369.06082	3.1
371.07584	2.4
381.06070	6.3
383.05951	2.1
399.07306	14.2
417.08267	54.1
417.13766	3.2
418.08597	6.3
447.09332	5.9
489.10095	3.7
501.10394	2.4
509.66260	1.5
519.10956	2.2
579.13574	12.3
695.16010	15.1
696.16345	3.7
725.17242	18.0
726.17126	4.6
767.18335	7.2
785.19281	77.9
786.19568	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01387	2.2
60.99322	0.9
62.00005	0.5
65.01391	0.5
67.01891	4.1
69.03448	0.9
69.39545	3.3
69.39951	1.4
71.01406	4.7
78.95912	10.8
81.03452	1.2
83.05022	1.1
85.02961	9.2
87.00895	2.4
89.02455	1.3
90.69379	0.7
93.03469	35.2
94.03851	0.8
96.96033	7.0
96.96980	5.8
99.04528	0.6
101.02460	0.8
107.05026	0.9
108.02188	0.9
109.02975	1.8
111.00902	1.7
111.04527	5.2
112.85654	0.6
113.02470	0.8
117.03493	0.7
127.04047	1.9
133.02966	1.7
134.03775	4.2
135.04541	68.0
135.10310	0.6
136.04869	3.0
137.02460	28.8
138.02818	1.1
151.04010	0.7
152.01187	1.2
153.01903	0.8
155.03537	5.2
157.13164	0.5
158.92471	0.7
161.02458	3.6
161.49783	0.6
163.04070	1.2
167.03697	0.6
171.02992	0.6
173.04562	100.0
174.04892	3.6
179.03517	60.1
180.03793	3.3
180.99077	0.9
191.05629	43.8
192.05965	1.6
193.05132	1.6
209.03004	0.7
346.05679	1.4
353.08804	85.7
354.09174	8.6
367.10147	0.8
431.12003	8.6
432.11652	0.6
437.08841	1.2
438.09000	2.2
450.07608	0.6
785.15344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.2
61.98835	68.8
61.99723	1.7
62.00069	2.0
71.01385	28.9
71.55975	2.6
72.99326	2.7
73.02944	7.3
73.80145	1.8
75.00875	1.7
76.26709	1.7
78.91885	3.1
78.95921	2.2
79.95760	2.5
80.05054	2.4
80.96485	2.5
83.01379	4.6
83.05075	1.7
85.02964	13.6
87.00893	2.7
89.02468	10.5
93.03453	3.9
95.01401	2.8
96.96026	34.6
96.96953	2.2
97.02954	2.3
98.95595	2.1
101.02447	12.3
106.06611	6.6
113.02456	9.0
116.92852	4.6
119.03502	3.0
119.04981	2.0
121.02975	2.7
122.06119	5.7
132.04581	5.0
134.06142	36.5
135.04477	2.7
137.02435	3.6
141.81975	1.7
146.88947	1.6
152.07146	6.3
153.01886	3.1
160.04025	3.1
164.04816	2.2
173.04654	4.1
190.02602	2.7
190.05124	6.1
191.05560	4.9
192.06639	3.4
209.11772	3.2
213.10336	10.3
225.10397	2.0
227.11832	2.2
237.10213	2.0
239.11766	3.1
262.45102	2.0
267.11389	6.5
277.09778	4.7
285.12396	5.2
297.12659	1.9
305.09314	2.4
313.13370	1.8
315.07184	2.3
316.14529	6.7
324.11447	2.5
327.13409	4.5
328.11084	2.7
329.06650	3.6
332.67755	1.8
340.14581	13.4
341.15137	2.3
344.13861	2.4
351.10132	1.9
356.13959	4.0
358.15619	5.2
359.15762	2.6
370.15540	3.8
381.10822	2.1
384.13452	8.0
390.21606	1.7
396.13367	2.9
397.14432	2.5
398.15237	10.1
398.19412	1.8
399.16083	2.8
400.16898	2.0
410.14975	5.1
412.16757	5.1
425.13498	2.4
426.14465	5.8
433.39838	2.1
438.14539	3.2
440.30331	1.9
444.15646	3.3
491.12347	2.2
491.20865	2.4
505.22104	2.5
573.21124	5.0
591.22308	3.8
592.22833	4.7
685.28424	3.2
711.26556	3.2
712.27374	5.7
753.27747	100.0
754.28290	25.0
785.30408	83.4
786.30475	23.5
786.42419	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	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07368	0.1
59.01361	0.2
61.98837	100.0
62.98521	0.2
70.56538	0.4
71.01402	0.2
71.76305	0.1
71.98912	0.1
72.05244	0.1
78.95912	0.2
78.98602	0.1
79.95747	0.3
80.96512	1.9
82.22550	0.1
94.98121	0.4
118.84302	0.1
134.97620	0.2
135.03654	0.1
136.99205	0.1
148.99194	0.1
152.98633	0.2
164.98650	0.2
193.30565	0.1
209.11790	0.2
210.12242	0.1
222.70865	0.1
225.00865	0.2
269.35809	0.1
277.21649	0.3
279.22916	0.1
403.94376	0.1
477.02481	0.1
602.16296	0.1
734.42810	0.1
774.82892	0.1
786.38385	0.1
787.39349	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	787.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.3
61.98843	3.0
67.01877	0.6
71.01397	7.0
71.58613	0.8
72.99327	0.9
73.02958	4.4
74.02493	0.7
83.01392	2.3
83.84202	0.5
85.02954	4.3
85.54948	0.5
87.00883	1.0
87.22836	0.5
88.98810	2.2
89.02463	2.5
93.03474	2.3
95.01407	0.5
96.96017	4.9
99.00921	0.7
101.02457	6.3
107.05102	0.6
108.02142	1.1
109.02975	3.5
111.00900	0.6
113.02461	2.9
116.92855	3.1
119.03495	1.3
119.05065	1.4
119.12608	0.5
121.02940	2.5
125.02452	2.6
131.03523	0.7
132.02234	0.7
133.02966	10.1
134.03716	0.9
135.04538	3.3
137.02451	1.7
143.03473	0.7
145.02919	0.7
148.01660	0.5
149.02412	2.0
149.04544	1.2
150.03278	0.7
151.00325	1.0
151.04005	0.6
152.01141	1.2
153.01918	0.8
161.02432	2.2
161.04552	1.9
161.05835	0.7
162.03175	0.6
163.00392	1.0
163.03996	3.6
164.04790	1.0
165.01921	1.7
165.05598	0.8
167.03542	0.7
168.00700	0.9
172.05234	0.5
173.02470	0.5
173.04576	2.2
175.02762	0.5
175.04080	3.3
177.01897	1.3
179.03535	1.6
190.02667	0.5
191.03493	2.1
191.05626	3.9
193.01468	0.9
193.05095	0.9
195.06625	1.1
199.04097	1.0
203.03609	0.7
205.05176	0.5
213.05441	0.7
221.06708	0.5
223.05887	0.7
225.05568	1.0
227.03517	0.5
240.04327	0.8
241.05016	0.7
253.05002	0.8
255.03004	0.7
255.06709	0.7
269.04501	1.2
284.03308	7.2
285.04056	6.0
286.04257	0.7
297.04089	12.6
298.04825	6.8
299.05627	13.8
300.05899	1.2
309.03946	0.8
311.05457	2.7
312.05942	0.6
325.03397	0.7
327.05121	72.1
328.05475	8.0
331.06769	1.8
339.05188	3.5
341.06519	0.8
353.06250	0.5
357.06168	16.4
358.06531	2.8
363.05130	0.8
369.06189	1.1
373.18796	0.8
381.06137	1.9
399.05981	0.6
417.08295	100.0
418.08612	12.5
478.12320	0.6
481.82919	0.6
614.92999	0.6
625.25037	1.4
787.25031	1.1
805.76703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
56.18573	0.7
57.03444	3.6
58.00593	1.0
59.01385	17.8
67.01893	1.8
71.01391	22.8
71.55462	1.1
72.99314	4.2
73.02961	0.9
74.99127	0.8
75.00877	11.8
83.01363	1.8
85.02962	27.0
87.00873	10.0
89.02456	8.5
91.05534	4.4
92.25231	0.7
93.03460	3.8
95.01412	5.0
96.96058	2.0
99.00905	7.0
101.02481	1.7
103.00359	2.5
108.02207	3.3
109.02988	2.2
111.00938	1.0
113.02464	32.1
115.00401	1.5
115.36010	0.7
117.01983	1.5
117.03484	3.4
119.74714	0.8
121.02980	1.1
123.00881	2.0
125.02469	0.9
129.01915	3.1
133.03017	0.9
134.03755	1.2
135.04544	4.7
137.02470	1.2
138.03242	2.2
147.70169	0.9
149.02425	3.4
152.01215	4.0
153.01901	2.4
153.05614	1.5
155.03452	0.9
157.01459	1.0
161.04567	0.8
163.04050	1.1
164.04796	2.8
173.04616	6.1
175.02536	2.1
176.01297	0.8
179.03528	1.2
179.07077	1.1
191.01932	1.8
191.05632	9.9
193.01375	1.0
205.07199	1.6
207.05090	1.0
208.03754	4.6
223.06148	11.0
223.08160	1.7
249.06194	7.3
267.07233	100.0
268.07574	6.2
367.10300	1.1
385.11450	91.3
386.11691	9.2
419.06204	4.7
729.58069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.8
61.98837	18.7
65.00311	0.7
67.01863	0.6
69.64869	4.0
71.01389	8.2
73.02946	1.9
78.98592	1.0
79.95741	2.5
80.96528	13.7
81.03487	0.9
83.01391	1.9
85.02953	4.9
87.00890	1.4
88.98824	1.8
89.02462	1.8
91.01882	1.5
93.03478	4.0
94.98088	2.3
95.01424	0.7
95.05061	0.7
96.96020	10.7
96.97013	0.9
97.02959	0.7
98.19926	0.6
98.95583	1.5
99.04523	0.8
101.02449	3.8
107.05084	0.6
108.02222	1.5
109.02959	1.8
111.00845	0.8
111.04530	1.0
113.02456	2.4
116.92879	2.8
119.01395	4.5
119.03463	0.8
119.05039	1.8
121.02950	5.3
123.00889	1.3
123.04480	0.8
125.02485	1.3
133.02979	1.3
134.03755	2.2
134.97545	1.4
135.04523	4.2
136.01643	1.6
137.02478	6.1
145.02936	2.2
147.00893	4.9
147.04558	3.2
148.05348	1.8
148.99170	1.2
149.02448	16.9
150.03253	5.1
151.04019	6.5
152.01158	2.2
152.04811	1.6
152.98615	1.1
153.01955	2.3
153.05519	1.1
161.02451	2.0
161.04616	0.8
161.06021	0.9
162.03230	1.5
163.04030	8.0
163.07661	2.0
164.04811	14.5
164.98659	2.1
165.01917	2.4
165.05597	6.3
166.02734	1.7
167.03519	1.5
169.05154	0.8
173.02477	1.1
173.04585	2.4
174.03233	3.6
175.00378	28.1
175.03992	16.9
176.01018	2.5
176.04791	3.6
177.05583	2.3
179.03522	3.5
179.05798	0.9
179.07135	4.1
180.04317	8.2
181.05023	2.0
188.04810	2.7
189.01970	1.5
189.05608	6.8
190.02739	65.5
190.06342	16.6
191.03381	5.2
191.05574	3.2
191.07149	11.8
192.04262	1.1
193.01353	1.1
193.05058	7.7
194.05844	6.5
195.06621	5.8
203.07140	1.8
205.05078	69.8
205.08670	15.3
206.05499	4.5
206.09007	1.0
207.06607	7.0
208.03812	2.8
208.07419	7.8
209.04572	2.6
209.08003	0.9
209.11830	1.5
221.08231	1.2
222.09010	0.8
223.06137	15.5
223.09674	0.8
225.00737	4.2
247.06133	1.1
281.06793	0.9
299.02155	1.1
329.06671	1.5
352.08087	2.3
353.08609	1.2
367.10352	100.0
368.10672	10.6
374.13690	2.6
375.14523	5.0
387.14377	1.0
389.16095	34.1
390.16443	4.2
405.15439	6.0
406.15454	0.8
419.17264	0.9
446.89648	0.7
484.11002	0.7
583.21576	0.9
769.30920	0.7
787.27380	22.0
788.27521	5.5
813.36798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	6.1
61.98835	17.9
66.06077	1.0
69.40259	7.2
71.01389	6.6
73.02969	1.6
75.00900	0.9
78.98608	2.2
79.95751	4.5
80.96524	25.7
83.01395	1.2
85.02973	4.8
87.00880	2.1
88.35219	1.1
88.98810	1.5
89.02467	2.7
91.01874	1.7
93.03468	4.6
94.98103	5.2
95.01370	1.1
96.96027	11.4
98.19808	1.9
98.95592	1.1
99.00932	1.4
101.02461	4.5
106.98118	1.2
108.02229	1.5
109.02990	1.1
113.02475	2.0
116.92882	2.4
119.01413	4.1
119.05039	2.0
121.02990	5.4
122.97630	1.1
123.00919	0.9
125.02453	1.5
134.03770	2.0
134.97624	1.4
135.04541	4.3
137.02486	6.7
139.00383	1.1
145.02919	1.2
146.03537	1.0
147.00903	4.2
147.04520	2.3
147.80376	1.0
148.01645	1.0
148.99168	2.3
149.02454	16.6
150.03220	2.2
151.04027	4.1
152.01208	2.0
152.04776	2.0
152.98637	1.9
160.01604	1.0
161.02411	1.2
162.03226	1.4
163.04028	7.8
164.04817	12.4
164.98650	4.2
165.01962	2.9
165.05542	2.0
166.02702	2.3
173.02406	1.2
173.04561	1.4
174.03253	2.6
175.00389	23.6
175.04008	18.4
176.00938	1.4
176.04774	4.3
177.05531	2.6
179.03484	2.3
179.05719	1.1
179.07175	4.2
180.04329	7.5
181.05106	2.1
188.04826	2.9
189.05573	6.3
190.02733	63.5
190.06364	17.2
191.03413	5.1
191.05606	2.3
191.07150	11.1
192.07538	1.2
193.01477	1.1
193.05103	7.1
194.05875	6.4
195.06532	1.2
201.11349	1.1
203.07170	1.6
205.05072	61.6
205.08633	12.1
206.05565	4.0
207.06677	5.7
208.03764	1.7
208.07452	6.7
209.04651	2.3
209.07910	1.4
223.06155	16.1
224.06479	1.2
225.00772	8.5
352.07935	1.1
367.10355	100.0
368.10663	9.8
374.13562	2.0
375.14542	5.3
389.16101	34.7
390.16525	3.5
405.15735	6.2
468.40274	1.2
541.20111	1.4
743.31384	1.4
787.32520	23.1
788.29944	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	787.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01389	37.8
61.98835	100.0
68.99583	5.0
69.03461	2.5
71.01389	33.2
71.55925	3.2
73.02953	10.3
79.95742	8.9
80.96529	5.6
83.01400	8.0
83.05022	3.0
85.02968	17.9
87.00888	4.7
88.98782	3.9
89.02445	15.2
89.98904	2.1
93.03456	9.8
95.01427	3.9
96.96017	55.7
97.02950	3.2
99.00895	4.1
101.02446	16.9
103.47566	2.3
106.06629	5.1
107.01477	2.6
107.03821	2.7
108.02171	3.5
109.02999	2.8
112.98587	3.8
113.02486	15.2
116.92857	7.6
119.03517	6.7
119.05046	5.0
121.02977	4.7
122.06145	13.1
125.02474	6.5
134.03706	2.6
134.06137	31.9
135.04549	9.5
137.02475	16.0
149.02458	5.6
151.00397	13.0
152.07173	5.9
153.02022	4.1
161.04559	5.8
163.03979	5.3
164.04721	2.2
165.05536	3.9
167.03513	2.3
173.04602	8.5
175.00412	3.0
175.04027	3.4
179.03519	4.7
179.05609	3.6
179.07053	4.0
190.02748	6.5
190.05083	6.2
191.05620	8.9
193.05023	2.5
201.95790	2.1
205.05164	6.7
209.11942	2.7
221.10875	5.1
223.06183	3.5
249.10315	4.0
263.08286	3.8
264.08997	2.9
265.09766	5.8
271.02542	2.4
277.09787	8.1
278.10349	2.6
279.11450	11.8
287.05545	6.0
291.11368	4.3
298.67654	2.8
305.09433	11.8
314.04346	2.9
317.09073	2.8
325.12048	2.6
329.06720	6.3
337.12085	3.1
342.16040	2.9
399.16592	2.9
410.49811	2.6
449.10901	7.1
472.18802	2.7
501.45840	2.5
530.03595	2.3
548.82349	2.8
566.34161	2.6
577.56140	2.3
632.22888	13.8
633.23029	2.6
664.25244	81.0
665.25403	19.3
713.28546	5.1
755.29633	34.3
756.29877	9.1
787.31598	46.6
787.44946	3.1
788.32135	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	787.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03447	1.7
57.54758	0.4
59.01111	0.7
59.01388	10.9
67.01904	0.9
68.99800	0.4
69.03471	0.4
69.67865	1.4
69.68283	1.0
71.01392	9.4
72.99321	2.7
73.02942	0.8
75.00885	11.8
77.25555	0.3
77.26009	0.3
79.95735	0.4
81.03454	0.4
83.01422	0.7
84.80402	0.4
85.02963	14.4
86.03344	0.4
87.00887	4.8
89.02450	3.6
93.03473	1.4
95.01398	2.6
96.96024	0.7
97.02982	0.5
98.20651	0.5
99.00898	6.1
101.02435	0.7
101.06094	67.7
101.52036	0.4
102.06434	1.7
103.00377	1.2
108.02209	0.5
108.76550	0.4
109.02941	0.9
111.00902	0.9
113.02461	12.4
114.02828	0.4
115.00367	1.1
117.01962	1.9
123.00997	0.6
125.02448	0.5
129.01970	1.1
131.03491	0.4
131.53564	0.4
135.04434	0.5
137.02469	0.5
153.01904	0.7
157.01393	0.8
161.04538	0.6
173.04619	1.8
175.02483	1.7
175.03877	0.5
179.03505	0.5
191.01970	0.6
191.05667	2.9
205.07204	0.8
210.49342	0.4
231.05095	1.1
249.06177	9.7
250.06500	0.9
253.35175	0.4
267.07239	1.7
291.10846	0.9
309.40820	0.4
331.17664	0.7
333.12009	0.9
351.12997	100.0
352.13297	7.8
391.19681	1.0
691.93414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03456	0.7
59.01109	0.9
59.01389	13.4
59.99577	0.5
61.98837	8.6
71.01392	7.0
71.56098	0.8
72.01723	0.7
72.99344	0.7
73.02952	1.1
79.95758	0.9
80.96547	1.3
82.95455	0.7
83.01392	0.9
85.02953	3.4
87.00879	0.8
88.98793	1.0
89.02451	5.9
93.03471	1.4
96.96030	13.4
98.95611	3.3
98.96422	0.5
101.02460	6.4
109.02959	1.2
111.00865	0.7
113.02447	3.1
116.92872	2.5
119.01422	0.5
119.03503	2.0
121.02973	1.0
123.04523	0.6
134.03764	1.1
135.04556	1.2
137.02463	2.2
139.00533	0.6
147.00781	0.6
148.05324	100.0
149.02464	1.9
149.05630	5.0
152.01384	0.5
153.01788	0.5
163.07669	90.4
164.04810	0.9
164.07957	5.0
165.05525	0.8
166.02733	0.7
173.04570	0.8
175.00371	1.6
176.89073	0.6
179.03522	1.0
181.05185	1.3
190.02710	3.7
191.05641	2.3
195.13908	2.5
205.05092	4.4
223.06067	1.9
299.01871	0.6
304.16129	0.7
352.08090	0.8
367.10388	5.3
375.20261	40.5
376.20709	4.4
389.16116	1.7
645.14032	0.8
787.29089	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	789.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
57.81128	0.9
59.01384	6.6
61.98838	20.0
69.03481	1.4
71.01396	8.6
71.56090	1.5
72.99304	1.2
73.02960	3.0
75.00909	1.0
79.95764	1.0
80.96512	1.4
81.03437	1.1
81.98924	1.1
83.01406	2.1
85.02978	7.3
88.98808	2.3
89.02467	3.6
91.01918	2.9
93.03449	5.0
95.01410	3.1
96.96024	11.8
97.02981	1.9
99.04532	1.2
101.02438	5.5
107.01416	0.9
108.02187	64.0
109.02987	26.4
113.02458	2.3
116.92885	2.2
119.03516	1.3
119.05051	2.4
121.02978	3.9
123.00893	2.6
123.04527	2.0
125.02473	1.7
132.02205	1.0
133.03000	5.0
134.03683	1.5
135.00902	9.8
135.04544	2.5
136.01350	1.2
137.02454	5.7
145.02994	1.0
148.05339	0.9
149.02484	2.8
150.03259	1.1
151.04031	2.7
152.01172	75.4
153.01967	37.5
154.02254	1.2
158.15434	0.9
161.02423	1.7
161.04550	1.3
163.03981	4.9
163.07602	1.1
164.04829	0.9
165.01981	6.0
165.05540	1.1
166.02707	1.6
167.03441	1.2
173.04556	2.6
175.03981	1.5
176.01131	1.4
177.01944	31.7
178.02342	1.8
179.03508	1.9
179.05719	1.0
180.04335	1.2
181.05132	3.3
190.02734	2.1
191.03812	1.3
191.05652	4.4
193.05054	2.0
195.03009	1.6
195.06630	2.8
205.05063	2.0
210.23003	1.0
227.26489	0.9
262.19745	0.8
315.07251	100.0
316.07605	7.1
339.07217	44.7
340.07660	4.4
357.08237	2.7
383.06213	41.7
384.06351	4.0
401.07291	12.6
402.07407	0.9
417.15930	1.7
645.35242	1.4
789.18689	3.4
789.31506	1.4
790.18176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35209	0.4
57.03445	1.1
59.01384	5.7
60.99322	1.1
61.98838	16.0
69.03458	1.8
69.66498	3.0
71.01395	6.8
72.99292	0.5
73.02943	2.0
79.95740	0.5
80.96523	2.0
81.03469	0.9
83.01405	1.3
85.02969	5.1
87.00885	1.1
88.98805	5.2
89.02457	1.8
93.03484	3.5
93.71461	0.5
95.01376	3.4
96.96021	5.6
97.02980	0.7
99.00927	0.7
101.02434	3.8
107.01412	1.2
108.02187	69.7
109.02988	26.5
110.03293	1.1
113.02456	2.9
116.92888	2.4
119.05044	1.1
121.02978	4.0
123.00916	1.9
123.04522	1.4
124.01661	0.7
125.02438	3.0
132.02141	0.8
133.02963	3.5
134.03763	1.1
135.00888	3.1
135.04527	2.1
137.02443	5.3
143.03502	0.5
145.02959	0.6
148.05281	0.8
149.02458	3.0
149.99577	0.8
150.03127	0.9
151.04015	3.7
152.01167	74.1
153.01962	31.5
154.02403	1.5
161.04599	1.1
163.04059	3.1
163.07637	0.7
164.04735	1.5
165.01917	3.6
165.05502	0.9
166.02748	0.9
167.03439	0.9
168.00652	1.2
173.04564	2.3
175.00439	1.3
175.04021	2.2
176.01115	2.4
177.01945	28.0
178.02336	1.9
179.03506	1.4
179.07129	0.9
180.04207	1.3
181.05042	1.7
189.01958	0.5
190.02798	3.5
190.06252	0.7
191.03401	1.6
191.05624	2.3
191.07153	0.6
193.05128	1.3
194.05623	0.7
195.06590	0.6
203.03500	0.5
205.05095	3.3
206.05452	1.1
219.02911	0.9
223.06100	1.0
225.00684	0.9
225.07683	0.5
228.06381	0.5
315.07239	100.0
316.07538	8.0
339.07211	45.5
340.07532	3.7
367.10291	2.9
368.10788	2.6
369.10849	1.4
383.06238	38.2
384.06598	4.3
389.16336	0.8
390.16400	1.2
401.07327	10.1
417.15515	0.6
516.09521	0.6
556.39459	0.6
745.24261	0.7
789.17017	3.1
789.32300	2.9
790.18921	0.8
790.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98836	2.9
69.97742	0.8
71.01383	0.6
74.91520	0.2
75.65854	0.2
78.95916	2.0
79.95740	3.5
82.95426	0.2
85.02967	0.4
93.03457	0.2
96.96021	100.0
97.95956	0.3
98.95612	0.3
99.96284	0.2
101.02462	0.2
104.84471	0.2
106.15971	0.2
108.02171	0.2
113.02471	0.3
116.92890	0.6
119.05035	0.6
123.15752	0.2
135.04584	0.2
137.02411	0.2
140.75462	0.1
145.03000	0.2
161.04594	0.2
163.04005	0.2
171.10240	0.4
191.05641	0.3
209.11848	0.5
293.21313	0.2
314.45621	0.2
453.09058	1.1
789.42651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93573	13.8
61.98853	68.2
65.33315	12.9
71.01386	28.0
71.18494	25.2
78.95905	18.7
83.05067	15.1
84.18263	14.5
96.96034	42.9
100.03416	13.8
106.29662	14.4
109.06613	16.7
111.00853	23.2
116.92894	21.0
171.10194	15.4
173.04607	29.9
191.05594	28.2
192.93007	15.9
197.11726	20.5
207.10236	70.8
209.11827	53.1
211.13205	13.4
211.45503	12.9
224.65964	13.9
225.11353	37.3
227.12816	30.7
227.51994	14.2
235.08188	16.9
237.59294	14.9
239.80598	14.0
253.09320	19.1
265.55298	13.9
289.18085	26.3
291.19620	38.1
307.19217	18.9
309.20813	100.0
352.36145	17.1
461.20166	21.5
545.30139	17.6
753.40680	49.1
789.37781	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	790.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98836	100.0
62.66026	0.2
70.10661	0.7
70.11036	0.4
71.01405	0.4
96.96020	1.8
116.92868	0.3
117.03499	0.6
119.05048	1.5
121.03059	0.2
145.02986	1.5
150.79967	0.2
163.04036	1.4
165.05591	0.3
166.02782	0.2
171.10350	0.3
177.05383	0.2
191.05423	0.2
291.19772	0.2
427.50980	0.2
430.77725	0.2
727.24158	2.3
728.24963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28567	4.4
59.01395	10.1
61.98836	23.2
65.38654	5.3
71.01400	16.9
71.56255	7.3
78.95884	6.6
80.96532	11.0
85.02967	4.4
92.20294	4.6
96.96011	13.6
101.02419	7.4
104.97562	6.1
110.03713	6.0
111.04539	9.6
113.02467	5.7
113.20291	4.9
125.09747	10.6
161.09773	10.7
171.10280	27.6
179.10788	12.2
191.05623	5.9
197.11876	8.1
199.09814	31.8
205.08678	14.3
213.11528	4.6
223.09766	66.9
225.00919	5.1
241.10834	7.9
253.09198	11.0
277.21747	100.0
278.22217	11.0
295.22189	4.8
306.10510	5.3
362.69254	5.7
435.18744	11.0
441.17673	7.8
459.18848	14.5
637.32806	5.5
663.03113	5.9
689.42120	5.3
695.39771	22.2
719.40747	35.3
737.41101	29.2
738.42755	6.3
791.38617	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	791.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.4
61.98831	45.4
71.01379	25.7
71.56422	9.9
78.95921	10.9
80.06609	6.6
80.96548	7.6
84.57428	6.9
91.40074	7.5
94.05094	6.9
96.96014	33.0
101.02419	8.2
101.70378	6.8
111.08096	8.6
116.92815	9.1
119.05028	9.0
171.10255	24.8
173.04622	8.5
197.11928	15.5
207.10265	10.3
209.11876	100.0
211.13594	8.8
225.11278	12.7
227.12881	36.2
253.09290	25.7
291.19543	16.4
293.21310	12.5
309.20734	62.6
311.22052	12.4
743.56482	9.5
791.39539	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15870	12.5
58.28896	13.3
61.98822	18.1
65.99564	13.1
70.13729	13.3
76.23864	13.5
84.45200	13.2
86.56327	13.3
87.13649	13.2
128.31316	13.9
209.11832	100.0
229.00157	14.9
277.21823	90.9
290.89639	16.0
791.43744	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.2
59.01377	0.9
61.98840	0.9
68.99561	0.3
71.01406	0.3
71.95439	0.1
73.02956	6.1
73.42908	0.2
75.00903	0.4
80.96533	0.2
89.02464	0.2
96.96043	0.4
98.20731	0.3
99.00893	2.3
99.92596	11.4
100.92619	0.5
101.02454	0.1
111.08712	0.2
112.98580	0.2
114.93442	0.5
116.92873	100.0
116.97258	9.7
117.01949	10.6
117.05651	0.3
117.92879	5.8
117.97649	0.2
119.59379	0.2
126.48473	0.2
148.91379	0.2
191.05615	0.5
209.11891	0.2
277.21793	0.3
293.21173	0.3
335.17648	0.8
397.13739	0.2
471.18002	0.2
473.10159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
59.01379	0.6
61.98836	1.0
63.19647	0.2
70.11014	0.5
70.74541	0.2
71.01404	0.3
73.02954	11.2
74.02447	0.2
74.03287	0.2
75.00880	0.8
87.00887	0.4
89.02474	0.2
98.19951	0.2
99.00890	4.6
99.92597	11.6
100.92619	0.5
107.37038	0.2
114.93436	0.5
115.00406	0.2
115.99921	0.2
116.03551	0.3
116.92873	100.0
116.97261	2.3
117.01951	18.6
117.02818	0.4
117.05595	0.8
117.92877	5.2
118.02290	0.3
197.01205	0.2
253.09305	0.2
277.21695	0.2
281.64725	0.2
293.21329	0.2
315.64819	0.2
326.29166	0.1
335.17645	0.4
397.13611	0.3
416.31558	0.2
596.00159	0.2
716.72394	0.2
793.50702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22811	1.4
58.00614	1.9
59.01384	29.4
61.98833	4.8
64.71746	1.5
67.33680	1.4
70.85792	2.4
71.01389	43.5
73.02962	2.9
80.96535	1.4
83.01456	1.3
83.05058	1.3
85.02946	2.1
89.02444	4.1
96.96011	3.1
97.02961	1.6
99.00906	3.5
101.02457	5.5
109.06616	4.7
111.55105	1.6
113.02484	3.5
119.03532	1.9
125.09740	4.0
127.11308	4.3
134.17606	1.4
137.09735	2.5
155.10783	4.0
161.04622	2.4
163.11330	3.4
165.09308	2.1
171.10286	48.4
172.10617	1.7
179.05664	3.6
181.08749	3.0
181.12366	5.2
183.10176	2.0
192.64177	1.3
199.09773	32.2
199.13414	7.7
201.11346	90.0
202.11681	5.1
207.10286	25.6
225.11346	37.0
226.11615	3.1
235.08273	5.0
243.12411	7.3
253.09334	22.3
277.21741	100.0
278.22116	12.7
341.93335	1.5
407.19205	2.3
435.18747	6.7
437.20682	1.7
443.19308	2.9
461.20251	13.5
479.21417	6.0
497.22177	2.0
514.87415	2.0
542.11151	1.4
658.13580	1.6
695.40479	7.4
696.40497	2.2
721.41626	9.7
722.41620	2.0
739.42474	18.4
740.43097	3.9
757.43756	31.0
758.44000	7.6
793.41589	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	793.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.4
61.98829	2.3
69.25450	12.2
71.01387	21.4
73.02940	2.7
73.50250	1.3
78.95914	1.6
85.02970	1.4
88.67217	1.3
89.02454	2.9
97.02943	1.6
99.00919	4.7
101.02454	5.7
109.06609	1.5
116.92845	2.6
125.09783	3.0
127.11309	2.4
161.04529	2.6
163.11385	2.3
171.10324	14.2
179.86584	1.4
181.12343	4.1
199.09843	9.4
199.13425	5.0
201.11353	27.3
207.10304	9.5
225.11356	14.7
226.11685	1.7
235.08252	10.1
243.12408	3.6
253.09344	11.3
277.21750	100.0
278.22076	9.9
279.23245	1.7
309.17383	2.0
311.17334	1.8
443.19287	1.4
459.18692	1.5
461.20255	3.5
555.03369	1.6
649.82281	1.3
695.40173	4.2
721.41589	7.3
739.42456	10.0
757.44019	17.3
758.43903	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	793.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
61.98831	2.0
71.01397	21.1
72.48103	0.9
73.02955	3.5
78.95955	1.0
84.64667	1.0
85.02959	2.1
89.02464	3.8
90.61844	1.2
99.00885	1.9
101.02466	4.6
109.06592	3.5
113.02450	3.4
123.08219	1.1
125.09740	3.5
127.11292	2.5
133.05109	1.2
137.09732	1.7
155.10786	1.4
161.04604	1.9
163.11295	2.4
171.10309	23.4
172.10571	1.4
179.05707	1.7
181.08730	2.5
181.12363	2.9
199.09770	22.5
199.13417	4.4
200.10117	1.1
201.11351	25.5
202.11798	1.1
207.10272	16.9
215.12877	2.1
217.14505	1.8
225.11343	21.7
235.08249	7.1
243.12332	4.2
253.09361	14.4
261.13669	1.1
262.95932	1.0
277.21741	100.0
278.22131	8.3
292.82556	1.1
414.25040	1.1
435.13586	1.1
435.18542	5.3
443.19214	2.0
461.20343	6.2
479.21396	2.3
513.30829	1.3
695.39966	6.7
696.40643	2.0
703.38885	1.8
721.41449	7.5
722.42072	2.0
739.42853	6.7
757.43713	9.4
758.44366	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	795.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73449	0.2
59.01387	0.9
61.98835	1.0
65.48682	0.2
71.01405	0.5
71.56001	0.4
73.02949	4.4
75.00851	0.5
85.02948	0.3
96.96004	0.3
99.00889	1.5
99.92596	11.0
100.92603	0.7
114.93396	0.4
116.92874	100.0
116.97260	11.8
117.01954	8.7
117.92886	6.0
136.32176	0.2
139.26788	0.2
151.17610	0.2
171.78624	0.2
173.04640	0.4
191.05669	0.6
252.00537	0.3
258.57053	0.2
279.23169	0.3
291.19540	0.2
337.19263	1.0
397.13318	0.4
416.22049	0.2
429.16632	0.2
473.10403	0.4
611.79047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
59.01381	0.3
61.98836	0.3
71.01398	0.5
71.56734	0.1
71.57177	0.1
73.02957	1.5
75.00879	0.1
83.01411	0.2
85.02966	0.3
87.00881	0.1
89.02457	0.3
93.03484	0.5
96.96030	0.5
99.00870	0.4
99.92596	9.8
100.92616	0.6
100.93254	0.1
101.02455	0.2
108.02232	0.1
111.00887	0.2
111.04501	0.1
113.02449	0.2
114.93439	0.5
116.92876	100.0
117.01951	3.0
117.92883	5.4
119.03506	0.1
119.05106	0.1
133.02991	0.2
134.03789	0.2
135.04535	0.3
137.02452	0.2
147.04529	0.1
161.02464	0.2
163.04109	0.1
165.05629	0.1
167.03514	0.1
173.00938	0.1
173.04556	1.0
176.01054	0.1
177.02003	0.1
178.02628	0.1
179.03476	0.1
190.02762	0.1
191.05641	0.5
191.22502	0.1
193.05116	0.2
195.06664	0.1
205.05217	0.1
209.03062	0.1
209.11957	0.1
223.06044	0.1
229.14578	0.1
231.54198	0.1
314.04553	0.1
383.07941	0.2
410.06662	0.1
519.86243	0.1
557.12946	0.2
560.97388	0.1
677.49994	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	796.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
71.01384	1.1
71.55988	0.6
83.05034	0.5
85.02962	7.2
87.00880	1.6
93.03463	4.1
96.96035	2.1
109.02957	0.9
111.04531	1.1
113.02428	0.5
119.05048	0.5
121.95838	0.4
127.04034	1.0
131.39587	0.4
134.03697	0.7
135.04535	1.9
137.02411	0.7
143.19263	0.5
155.03532	0.5
161.02461	1.5
162.73328	0.4
173.04579	2.6
179.03490	1.7
191.05637	100.0
192.05969	3.7
193.05028	0.9
315.07355	0.8
353.08832	10.2
354.09146	1.3
367.10477	0.8
387.32858	0.5
408.84189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46202	0.4
59.01149	0.4
59.01388	5.4
60.91549	0.4
61.98843	0.7
71.01394	2.8
73.02953	1.2
75.91537	0.4
76.18874	0.4
77.03976	0.8
77.87856	0.5
83.01382	0.8
85.02949	4.2
87.00901	0.6
89.02451	1.3
89.41411	0.4
93.03474	3.4
96.96026	4.9
101.02462	1.4
108.02178	0.5
109.02944	1.9
111.00887	0.9
111.04511	0.7
111.45570	0.5
113.02438	1.0
119.03472	0.5
119.05017	1.6
121.02964	1.9
125.02465	0.8
133.02966	11.7
134.03682	0.7
135.04524	2.8
137.02455	1.6
145.02971	0.9
147.04520	1.3
149.02422	1.7
151.00310	0.7
152.03532	1.8
153.03816	0.6
161.02460	1.7
161.04515	0.6
163.00391	1.0
163.04007	3.0
165.01945	1.4
165.05629	0.6
173.00848	0.6
173.04599	4.8
174.04951	0.7
175.04008	3.2
177.01950	1.7
179.03506	1.3
179.05582	0.5
181.06421	0.6
191.01999	1.0
191.03569	1.8
191.05634	5.9
193.01427	1.6
199.04021	1.4
201.01846	1.0
203.03418	0.4
205.05017	0.5
209.06195	0.5
211.04074	0.8
212.04709	0.8
213.05595	1.3
225.05602	1.3
225.08093	0.5
227.03523	0.6
240.04401	0.8
241.05037	0.8
253.05049	1.4
255.02960	0.8
255.06557	0.5
257.04437	0.6
269.04645	1.0
271.06244	0.9
281.04587	0.9
284.03293	7.5
285.04059	8.3
286.04373	0.8
297.04065	14.2
298.04803	8.5
299.05612	16.6
300.05911	1.6
309.03964	1.1
311.05698	2.4
323.05869	0.6
325.03534	0.6
327.05124	100.0
328.05475	10.3
339.05133	3.9
341.06735	0.6
357.06186	24.8
358.06403	3.1
365.06656	0.6
369.06113	3.0
383.07797	3.7
384.08014	4.1
393.06458	0.8
442.32047	0.5
447.09360	90.5
448.09677	12.0
483.69327	0.5
796.24127	0.7
797.25037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33772	0.3
57.03444	1.2
58.00607	0.6
59.01109	0.6
59.01389	8.6
60.47022	0.4
63.62133	0.3
67.01900	1.1
68.99824	1.2
69.03468	1.2
71.01390	10.1
72.99324	2.8
73.02941	0.9
74.40797	0.3
75.00877	11.3
81.03474	0.8
83.01395	0.8
85.02961	13.2
86.03338	0.4
87.00887	4.2
89.02454	2.7
91.04041	0.7
93.03468	2.0
95.01396	2.9
96.96027	1.3
97.02962	0.5
98.20641	1.0
99.00896	5.9
101.02486	0.5
103.00395	1.2
106.98270	0.3
109.02956	0.7
111.00885	1.1
111.04519	0.8
113.02464	13.3
115.00388	1.3
117.01981	1.9
121.02969	54.9
122.03289	2.0
127.04051	0.3
129.01956	1.4
157.01472	0.6
164.07179	0.8
173.04605	1.6
175.02501	1.8
189.04062	0.5
191.01894	0.3
191.05595	1.4
193.05153	0.4
205.74174	0.3
206.08252	1.0
212.37613	0.3
220.83382	0.3
231.05153	3.5
249.06180	37.7
250.06506	1.7
257.24060	0.3
292.36093	0.3
353.08682	1.2
371.09848	100.0
372.10153	8.4
549.04993	0.4
627.88800	0.3
736.26093	0.3
798.25641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	39.9
61.98822	0.6
65.00321	0.6
69.36662	2.5
71.01386	1.2
75.00880	1.0
83.01409	0.5
85.02969	1.5
87.00874	0.5
89.02447	0.6
91.01904	10.1
92.02222	0.4
93.03467	25.5
94.03807	0.9
95.01396	0.4
95.20248	0.4
96.96043	2.0
101.02435	0.7
107.05053	1.5
108.02195	0.9
113.02478	0.9
119.01397	3.4
121.02970	12.6
122.03251	0.4
123.04504	0.6
133.02956	1.2
135.04543	1.1
136.01663	0.9
137.02457	42.9
138.02824	1.4
143.03529	0.4
149.02469	1.1
149.06209	0.4
151.04024	100.0
152.01173	0.4
152.04369	4.2
159.04507	0.4
160.01686	0.4
161.02431	1.1
173.04568	0.7
175.00330	0.4
179.03561	1.1
186.94299	0.4
187.04013	0.3
191.03571	0.4
191.05664	2.2
205.05061	0.5
223.06049	0.5
263.05554	1.8
281.06677	18.2
282.07056	1.6
297.04205	0.5
323.07709	6.5
325.03677	0.5
358.17456	0.4
431.67990	0.4
487.06552	1.8
607.11462	1.2
625.25128	0.6
799.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68010	0.9
57.03452	1.9
59.01383	2.7
61.83829	0.7
67.01881	1.2
69.82122	4.4
71.01389	3.1
75.00900	0.7
79.39873	0.8
81.12357	1.0
83.05032	1.2
85.02959	6.6
87.00912	1.6
89.02448	1.4
89.03984	1.6
93.03478	15.3
94.53738	0.8
96.96011	5.2
109.02897	1.3
111.00854	1.3
111.04521	3.2
113.02482	0.7
117.03486	8.5
129.01984	1.0
134.03761	80.5
135.04466	7.0
137.02477	16.3
147.16016	0.7
149.06116	7.1
154.52153	0.8
155.03497	2.7
161.02432	2.0
173.00952	1.6
173.04579	17.5
173.16710	0.7
179.03532	7.0
191.02000	2.4
191.05635	14.1
193.05081	100.0
194.05412	5.5
229.01643	0.9
259.95184	0.8
351.12857	0.9
353.08917	7.5
354.09247	1.0
367.10391	45.7
368.10651	3.4
431.11896	3.4
445.13495	1.0
813.18726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.2
61.98830	0.9
63.96240	0.9
69.03452	0.7
69.47419	2.7
69.47830	0.7
71.01388	7.2
73.02958	1.5
75.00858	0.6
78.98590	3.8
79.95741	7.8
80.96524	43.0
81.03490	0.6
83.01418	0.6
83.63953	0.5
85.02963	2.3
85.62002	0.5
87.00882	1.6
89.02460	1.6
94.98094	9.6
96.96046	1.0
97.02946	1.4
98.19967	1.0
101.02437	3.7
106.98075	2.0
111.28130	0.4
113.02462	0.9
122.97593	1.6
125.02448	2.3
134.97615	3.0
136.99168	1.1
143.03543	0.6
148.99182	4.2
152.98651	4.0
153.64619	0.5
154.21146	0.5
161.04582	1.5
164.98643	6.9
167.14380	0.6
171.10330	0.7
179.05647	0.7
183.13907	5.0
193.12390	1.5
206.99710	1.8
211.13408	100.0
212.13715	5.7
225.00754	12.5
225.02962	0.5
235.08224	1.8
253.09290	5.6
255.23155	0.8
259.20667	0.5
277.21744	57.1
278.22043	5.1
429.21259	1.6
434.04428	0.5
447.22394	9.2
448.22696	1.0
453.14001	1.3
509.40295	0.5
513.30695	0.8
709.38422	46.3
710.38818	9.9
781.40295	4.6
782.41315	1.2
799.41528	11.5
800.41534	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	800.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98836	100.0
69.18114	0.5
69.18536	0.8
71.01391	0.9
73.02966	0.1
74.88950	0.1
78.95942	0.2
79.95759	0.1
83.01414	0.2
85.02987	0.5
87.00936	0.1
89.02461	0.3
93.03479	0.3
96.96028	1.1
98.19950	0.3
101.02499	0.3
108.02204	0.3
109.02980	0.2
113.02477	0.3
116.50570	0.1
116.92855	0.1
125.92641	0.1
128.58620	0.1
135.04532	0.1
137.02489	0.3
145.02908	0.2
152.01225	0.5
153.01968	0.2
163.04024	0.2
166.53943	0.1
173.04573	0.2
186.42245	0.1
190.02817	0.2
191.05727	0.3
198.32022	0.1
209.11848	0.2
223.66429	0.1
233.15501	0.1
303.77338	0.1
309.36603	0.1
379.67615	0.1
418.76962	0.1
620.38898	0.6
800.48248	0.4
801.39801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
64.27121	0.7
70.95212	0.8
70.95535	1.5
71.01397	3.7
73.00124	0.7
73.02950	1.4
74.02985	0.7
77.32315	0.6
81.03474	0.7
83.09526	0.7
85.02964	5.8
87.00915	1.1
89.02485	1.0
93.03481	1.5
93.75996	0.8
95.01402	1.6
95.77477	0.7
96.96015	1.4
99.00876	1.5
101.02464	1.9
108.02187	33.2
109.02995	7.9
111.00908	4.1
113.02459	1.5
121.02964	1.1
123.00922	1.1
128.82545	0.8
129.01881	0.8
133.02943	1.2
134.03781	1.2
135.04535	8.3
151.04036	1.5
152.01167	63.7
153.01802	4.0
161.04596	2.2
163.04005	3.1
171.15494	0.9
173.00900	3.0
173.04572	1.5
179.03523	7.8
191.01920	2.2
191.05606	13.3
207.03203	0.9
236.84323	0.8
271.08246	0.8
315.07312	1.2
353.08829	9.8
445.23984	0.8
447.11456	100.0
448.11926	10.5
634.70837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.1
59.66575	1.6
61.98839	76.5
63.96234	2.4
68.99563	2.7
71.01390	21.5
71.55875	1.8
72.99311	2.7
73.02962	7.9
78.98586	7.8
79.95734	19.7
80.96527	97.4
81.03442	2.1
82.95445	1.5
83.01381	3.7
85.02972	11.0
87.00858	4.0
88.98829	2.4
93.03459	6.1
94.98090	21.5
96.96022	21.1
97.02954	3.0
99.00865	3.4
99.04517	1.9
101.02455	11.5
106.98112	4.3
109.02914	3.0
112.98586	2.1
113.02451	4.9
116.92906	1.8
119.03510	2.6
119.05007	2.6
121.02979	2.5
122.97578	3.0
123.00980	2.0
123.96659	1.4
125.02436	5.8
127.04022	2.3
134.97560	6.7
135.04539	1.6
137.02435	3.6
145.02933	2.0
148.99199	9.4
150.03214	1.7
152.98662	9.7
153.01973	1.9
161.04535	3.5
163.04016	3.9
164.04817	3.2
164.98636	16.0
165.01855	1.7
173.04584	4.1
175.04025	1.8
179.03450	2.2
179.05678	2.8
190.02737	3.0
191.05585	7.1
205.05103	2.1
206.99805	2.6
209.11832	5.6
223.06018	2.0
225.00775	32.4
299.02411	1.7
320.13470	1.9
367.57327	2.0
482.84802	1.6
541.19452	5.0
769.33752	2.8
801.35815	100.0
802.36243	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	801.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37186	1.7
59.01385	5.1
59.58936	1.8
61.98837	100.0
71.01379	3.0
77.04126	2.2
78.95921	2.3
80.96536	7.3
82.69601	2.0
83.05048	2.4
85.02972	1.9
96.96048	2.3
97.59596	1.7
98.19791	3.9
100.94359	2.0
162.70581	1.8
174.78737	2.1
191.05652	2.7
201.11333	22.5
209.11858	48.0
210.12309	4.4
227.12943	5.7
235.08127	4.2
245.93271	2.0
253.09389	11.0
277.21747	57.0
278.22040	6.4
289.18170	5.7
293.21201	6.1
363.66403	1.9
407.04272	2.1
513.30554	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	802.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98544	0.2
70.95893	0.4
71.01380	0.2
78.98624	0.3
79.95759	0.5
80.96529	2.0
89.55447	0.2
94.98106	0.3
95.86121	0.2
96.96037	0.6
123.18341	0.2
164.98663	0.3
167.28214	0.2
177.96733	0.2
225.00865	0.4
244.01254	0.2
247.09567	0.4
277.21793	0.4
619.61115	0.2
785.38013	0.5
803.38574	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	802.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98548	0.2
71.01404	0.3
71.39964	0.4
78.98602	0.2
79.95750	0.5
80.96516	1.5
94.98115	0.4
96.96019	0.6
112.98647	0.2
155.59172	0.2
164.98698	0.3
185.69841	0.2
225.00792	0.3
247.09537	0.2
331.92297	0.2
447.54431	0.2
509.55490	0.2
719.98260	0.2
785.38013	0.3
802.38367	0.4
803.38043	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	802.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.74172	1.9
71.01410	0.6
80.96521	2.0
82.96127	0.9
94.98117	0.5
96.96018	0.5
98.20639	0.5
105.17916	0.3
111.62839	0.3
118.91805	0.4
190.03439	0.3
202.92740	0.3
211.13487	1.3
212.13799	0.7
213.14104	0.6
217.84174	0.3
277.21902	1.5
278.22122	0.7
289.18167	0.4
343.16696	0.4
344.04572	0.4
712.38849	1.6
803.43201	1.1
809.32007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.1
67.01886	1.3
71.01382	4.0
72.99313	1.5
85.02979	7.8
87.00877	2.8
89.02464	1.7
93.03468	5.3
96.96015	3.1
98.20653	3.5
101.02449	2.6
108.02187	8.0
109.02953	5.0
111.04531	2.3
125.02486	2.2
127.04041	1.8
133.02966	8.0
134.03828	2.1
135.04533	7.0
137.02504	1.1
140.71199	1.1
145.02957	1.3
147.04504	1.4
149.02431	2.1
149.06058	2.5
150.03256	2.7
151.03935	1.1
152.01207	12.3
153.01878	1.5
161.02405	2.2
161.96292	1.1
163.00320	2.5
163.04016	3.1
165.01939	1.2
165.05588	2.3
173.00940	1.6
173.04608	8.8
173.05957	2.1
174.04755	1.2
175.03961	3.3
179.03477	5.2
187.04027	1.4
187.07631	5.6
191.01967	1.9
191.05637	38.1
192.05968	2.4
193.05049	3.5
211.04115	1.4
211.06070	1.8
213.05528	1.9
215.07072	1.6
217.08711	1.5
224.74367	1.2
231.10204	2.6
275.09232	4.0
284.03278	4.8
285.04028	10.6
295.09711	2.6
297.04077	15.6
298.04788	11.7
299.05539	8.6
311.05554	3.6
319.43600	1.2
324.02847	1.4
327.05127	50.9
328.05389	4.5
339.05020	7.9
339.12274	3.8
357.06168	38.0
358.06500	3.5
369.05997	1.9
387.16473	1.3
399.07098	2.0
429.08392	5.1
447.09332	100.0
448.09509	12.3
449.14273	3.2
455.13226	2.1
472.78775	1.4
502.56924	1.1
629.18701	3.8
660.91730	1.3
803.22784	15.2
804.23865	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	803.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.2
60.01720	0.4
61.98843	3.0
65.00318	0.9
67.01896	0.4
69.70408	0.9
69.70820	1.2
71.01360	1.1
71.12418	0.4
72.99400	0.4
73.02959	0.3
77.03967	1.0
79.01888	0.6
81.03458	0.4
85.02963	2.4
85.66697	0.4
87.00887	0.7
89.02440	0.5
93.03468	2.4
93.03939	0.4
96.96004	1.3
97.02950	0.8
99.47433	0.4
101.02441	0.5
107.01405	0.7
108.02200	0.7
109.02965	3.3
111.04508	0.4
115.00352	0.6
119.05020	0.7
121.02972	1.6
123.00899	0.4
125.02440	1.2
129.01962	0.4
132.02129	0.5
133.02965	12.3
135.04530	3.6
137.02428	1.3
145.02957	0.5
147.04483	1.4
149.02429	1.3
149.06068	0.5
151.00307	0.5
151.03961	1.2
161.02458	2.0
163.00342	1.8
163.04048	3.4
165.01950	2.2
166.02753	0.5
173.02419	0.4
173.04527	3.2
174.03168	0.5
175.00388	0.4
175.03963	3.4
177.01897	1.3
179.03531	1.1
181.05058	0.6
183.07875	0.4
187.03981	0.4
187.07600	0.7
191.01949	0.6
191.03517	1.6
191.05615	11.0
192.05957	0.5
193.01398	1.7
197.06038	0.4
198.03300	0.7
199.03984	1.3
199.07561	0.8
200.04802	0.4
201.01910	1.4
203.03508	0.5
209.06120	0.4
211.03986	0.8
212.04861	0.6
213.05560	1.5
213.09258	0.6
217.08653	0.6
224.82668	0.3
225.05585	0.8
227.03532	0.7
227.07053	0.7
229.05153	0.6
240.04195	0.6
241.04951	0.8
243.03008	0.4
253.05032	1.0
254.05830	0.5
255.03056	0.8
255.06555	0.7
257.04489	0.5
257.07986	0.4
267.06464	0.7
268.03693	0.5
269.04510	1.4
270.05173	0.5
281.04584	0.8
284.03278	7.9
285.04016	8.6
286.04468	0.7
295.09860	0.6
297.04080	16.3
298.04764	8.8
299.05624	18.8
300.05942	1.3
309.04065	0.9
311.05618	2.5
324.02856	0.7
325.03677	0.8
326.72156	0.4
327.05109	100.0
328.05453	10.4
328.08545	0.3
330.15897	0.4
337.03558	0.5
339.05157	2.4
339.12280	0.8
341.06769	1.1
353.09042	0.5
357.06186	27.3
358.06534	2.7
369.06189	2.1
393.06232	1.6
417.15366	0.8
418.16046	0.4
447.09357	88.5
448.09677	10.0
455.13419	0.9
629.19177	1.5
803.24298	2.1
804.25342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
59.01388	9.0
61.98829	4.2
66.09530	1.1
66.31517	1.0
71.01395	5.5
72.99309	1.3
73.02958	2.7
79.84355	1.2
83.01376	1.6
85.02978	9.2
87.00886	3.2
88.98810	1.8
89.02462	3.3
93.03465	14.9
96.96026	10.3
101.02450	3.4
106.04283	3.4
107.05049	26.1
108.02182	4.0
109.02960	3.7
111.00893	1.2
111.04514	2.0
113.02473	2.8
114.93419	4.6
115.00397	1.3
116.92871	2.7
119.01390	1.1
119.03521	1.1
121.02955	3.3
123.04552	3.1
124.01619	1.1
125.02434	1.4
127.03977	1.4
133.02943	1.8
134.03767	10.7
135.04546	87.3
136.04874	4.4
137.02467	5.1
139.00560	1.2
145.03001	1.4
147.04536	1.8
149.02454	4.6
149.06134	1.3
150.03258	1.7
151.00383	3.8
151.04021	1.8
152.01164	1.2
155.03543	1.3
161.02499	3.1
163.04022	2.1
164.04784	4.8
165.01907	1.2
165.05585	17.9
166.02777	5.4
173.04558	12.0
175.00359	3.7
175.03986	1.7
176.01237	1.4
177.01926	3.6
177.05644	1.4
178.02695	1.8
179.03539	6.3
181.05148	6.4
189.05518	1.4
190.02754	9.8
191.05626	46.1
192.04269	1.7
192.05965	3.2
202.02884	1.1
205.05037	10.4
207.06587	1.8
208.03494	1.1
223.06076	8.0
226.02629	2.1
241.04970	1.4
242.05908	1.6
243.03078	6.9
266.05865	1.3
267.06448	1.3
269.08228	2.7
270.01697	6.5
271.02475	14.8
285.04092	13.7
286.04749	1.9
295.06036	1.4
299.02014	31.8
300.02615	4.7
308.08887	1.6
312.06415	1.5
313.03561	22.3
314.04327	31.4
315.04974	6.3
315.08405	2.0
327.08759	2.1
328.05685	6.8
329.06696	64.6
330.07004	5.1
330.10693	1.4
331.11975	2.0
339.12253	1.3
340.05743	1.3
342.11127	1.4
343.11697	1.4
352.08093	5.5
353.08768	10.8
357.13464	3.4
367.10300	12.8
435.12964	2.5
447.10828	2.4
455.13654	3.6
477.11505	1.8
479.09677	1.2
489.14810	1.3
495.13388	2.4
542.17212	1.2
605.19684	1.1
629.19244	2.0
637.17798	100.0
638.18018	19.8
638.28131	0.8
706.18085	1.3
755.02704	1.4
785.23859	1.3
803.24792	10.8
804.25934	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	803.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
59.01386	9.9
59.25038	1.1
61.98825	3.2
67.01937	1.3
69.26856	4.8
69.27282	5.6
71.01388	8.0
73.02969	2.0
73.68380	1.1
82.86222	1.0
83.01410	1.7
85.02966	13.5
87.00880	2.6
88.98802	1.6
89.02458	3.5
93.03478	15.5
96.96029	8.0
98.19889	1.6
101.02443	3.3
106.04247	2.1
107.01411	1.4
107.05042	31.4
108.02180	4.2
108.05354	1.5
109.03004	5.7
111.00884	2.0
111.04539	3.7
113.02431	1.9
115.00387	1.9
121.02973	3.9
123.04543	3.8
125.02449	2.0
127.03967	1.9
129.01944	1.8
133.02956	3.4
134.03758	11.3
135.04547	100.0
136.01775	1.4
136.04837	5.2
137.02473	6.6
138.03198	1.1
147.04483	1.5
149.02432	3.2
150.03224	1.9
151.00377	1.8
151.03992	2.6
152.01190	4.6
153.01947	4.1
155.03499	2.3
159.04430	1.3
160.01692	2.0
161.02443	4.7
163.04030	2.1
164.04811	3.5
165.01907	1.9
165.05586	19.9
166.02754	3.3
166.05876	1.4
167.03481	2.2
173.04564	23.1
174.04872	2.3
175.00424	2.2
175.03886	1.7
178.02672	2.8
179.03494	8.7
181.05064	3.1
190.02747	5.2
191.05635	69.1
192.05966	6.3
193.04790	1.2
195.06570	2.5
203.03413	1.1
205.05067	6.5
223.06038	1.7
225.05655	1.2
226.02647	1.8
227.03477	1.8
229.08614	1.4
242.02101	1.3
242.05693	1.3
243.02934	5.9
256.07065	1.2
262.62769	1.2
269.08139	3.5
270.01736	7.5
271.02478	12.5
273.07562	1.6
283.05911	1.7
285.04129	13.7
286.04297	1.5
295.06107	2.1
299.02002	34.3
300.02655	6.7
307.08289	1.2
308.08969	1.5
313.03601	21.3
313.06937	1.9
314.04343	33.5
315.04938	10.8
327.05060	1.2
328.05875	6.2
328.68991	1.1
329.06686	75.1
330.06998	7.3
342.10950	1.3
347.52283	1.1
352.07928	4.8
352.71533	1.2
353.08795	14.3
354.09302	1.5
357.13565	1.3
367.10498	7.5
447.10742	13.7
448.11029	2.2
449.13736	1.9
455.13324	4.2
463.11081	1.2
495.12906	6.2
611.17163	2.5
629.18146	1.9
637.17804	97.2
638.17938	18.3
651.08331	1.1
706.17529	2.5
755.21808	2.5
785.25726	2.2
803.23907	19.8
804.24402	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	803.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01385	5.1
61.98838	4.6
67.01891	1.8
69.46404	4.8
71.01381	7.3
73.02962	2.3
75.68505	0.8
83.01409	1.7
85.02953	8.0
87.00909	3.1
89.02466	1.9
91.01935	1.4
93.03471	14.8
95.01432	1.7
96.96010	7.2
101.02458	4.0
107.05032	1.1
108.02195	4.2
109.02985	4.6
111.00910	1.4
111.04561	2.6
113.02473	2.8
116.92873	1.7
119.01372	5.3
119.03560	1.0
119.05064	1.5
121.02968	4.6
123.00903	2.5
123.04561	1.2
124.01674	4.0
125.02462	1.9
127.04043	1.5
129.01941	1.3
133.02977	2.5
134.03752	5.5
135.04538	16.9
137.02467	10.7
138.03157	1.4
139.03993	3.7
145.03000	1.8
147.00891	5.3
147.04536	5.9
148.04044	1.0
149.02444	16.2
149.06075	1.2
150.03180	3.5
151.00386	17.4
151.04004	3.6
152.01152	6.6
153.01971	2.9
153.05606	1.6
155.03545	1.2
159.04451	1.0
160.01698	1.5
161.02374	3.7
161.04546	1.0
162.03246	1.2
163.04086	3.4
164.04802	13.8
165.01965	3.4
165.05511	2.6
166.02728	39.2
167.03459	3.3
173.02422	2.0
173.04562	17.0
173.06056	1.6
174.03389	1.6
174.04866	1.4
175.00378	28.9
175.03964	9.6
176.01096	3.2
177.01952	1.4
177.05630	1.4
178.02707	1.3
178.06398	1.0
179.03554	6.5
179.07185	2.3
180.04271	1.5
181.05083	48.5
182.05453	2.0
188.04820	1.1
189.01982	1.2
189.05673	3.2
190.02731	71.3
190.06325	6.7
191.03479	5.0
191.05611	43.8
192.06035	3.6
193.01433	1.1
193.04948	5.4
194.02151	0.9
194.05991	1.2
195.06662	0.9
203.03540	1.1
204.04358	1.1
205.05075	68.2
205.08527	4.1
206.05473	3.7
207.06657	1.1
208.03850	2.1
208.07489	2.1
209.04588	1.4
209.08214	1.1
223.06133	17.2
223.09720	1.9
229.01434	0.8
232.03757	0.8
241.05145	1.4
247.06194	0.8
253.05043	1.0
265.07382	1.4
267.06491	1.1
269.04602	2.2
269.08170	2.3
270.08798	1.0
273.59964	0.7
284.06534	0.8
296.06851	1.5
297.04099	8.0
299.09271	0.9
308.09119	1.2
311.05725	1.1
312.06326	9.6
312.09274	0.9
313.06888	1.2
323.87784	0.8
327.08737	17.5
328.09268	2.8
342.11090	19.9
343.11685	3.3
352.08038	5.8
353.08688	10.1
357.13431	20.2
358.13901	2.7
367.10355	100.0
368.10675	7.5
375.14581	3.0
391.13977	7.9
405.15601	10.2
417.15659	1.9
421.15091	1.2
427.10315	1.3
435.16501	1.2
455.13501	2.6
549.16534	4.7
611.16870	1.4
629.19067	2.8
706.17651	1.5
773.26715	5.5
774.27844	1.4
803.27673	34.4
804.28357	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	803.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
59.01385	25.4
61.54520	1.5
61.98838	43.7
67.01904	2.2
71.01392	19.5
72.99301	2.7
73.02966	4.0
78.96844	1.6
79.95765	2.5
83.01375	2.0
85.02969	17.6
87.00877	7.7
88.98814	5.9
89.02457	7.4
90.94051	1.4
91.01907	3.2
93.03471	29.3
95.01383	3.3
96.96011	24.3
99.00870	3.1
100.12255	1.7
101.02454	6.7
103.71342	1.5
104.57327	1.7
107.05023	3.8
108.02197	5.4
109.02979	8.4
110.77256	1.7
111.00884	4.6
111.04532	4.0
113.02460	4.6
115.00405	3.8
116.92872	3.6
119.01411	4.7
119.03493	1.9
119.05035	3.2
121.02962	11.4
123.00861	2.7
123.04563	2.0
124.01659	4.4
125.02464	4.2
127.04032	2.1
130.29906	1.9
133.02959	6.8
134.03769	15.7
135.04535	45.3
136.01625	1.7
136.04865	2.0
137.02473	17.0
138.03194	2.7
139.04048	2.0
143.03583	2.3
145.02939	2.6
146.03688	1.8
147.00871	3.7
147.04477	4.4
149.02451	31.6
149.06073	3.5
150.03137	5.4
151.00385	7.0
151.03990	5.8
152.01176	8.5
153.01906	3.0
153.05667	3.4
155.03474	4.3
159.04562	3.3
160.01611	2.2
161.02412	7.0
161.04553	3.5
162.03217	8.2
163.04076	14.3
164.04808	28.4
165.01964	3.5
165.05533	4.1
166.02708	16.6
167.03397	1.9
173.02437	2.2
173.04565	26.4
174.05013	2.4
175.00388	21.0
175.03983	6.1
176.01123	4.2
176.04803	3.4
177.01907	4.5
177.05563	6.0
178.02713	4.4
179.03516	26.3
179.07133	4.6
179.90958	1.7
180.04198	3.8
181.05055	16.8
183.06630	4.9
188.04836	2.1
190.02742	50.9
191.03618	5.7
191.05623	100.0
192.04352	2.4
192.05986	6.5
193.01483	3.1
193.04860	2.3
193.06343	1.8
194.05750	3.0
198.03557	1.9
203.07202	1.8
205.05066	41.5
206.05649	5.2
207.03070	4.1
207.06497	2.2
208.03697	4.6
209.08318	3.2
209.11839	2.1
221.08105	3.2
222.05348	6.8
223.06113	42.8
224.06512	2.8
227.07066	2.0
237.07700	4.0
241.05016	2.7
242.05719	2.6
253.05075	2.1
255.06638	3.6
256.07263	2.8
265.07272	11.1
267.06641	2.7
268.07462	3.6
269.08252	11.1
271.09735	2.8
275.65738	1.7
283.06418	1.8
284.06778	4.6
289.05493	2.3
293.04453	1.8
295.08215	5.4
299.09143	7.6
300.09909	2.4
316.09375	2.8
323.09253	3.3
325.09283	7.3
327.05359	1.9
327.08969	4.4
329.06735	2.3
331.11887	2.6
338.11551	2.7
339.08649	2.4
339.12369	2.7
352.08105	13.0
353.08813	31.3
354.09192	2.8
367.10287	7.8
368.11111	1.8
385.11453	2.6
387.14499	4.5
413.12338	25.1
414.12589	2.2
417.15576	2.3
427.10065	2.2
455.13525	9.4
463.10999	1.9
479.13629	8.8
494.16092	3.4
509.18188	43.7
509.25671	2.4
510.18414	7.1
539.19250	6.9
593.20367	63.7
594.20569	12.0
611.16125	2.1
613.16156	2.1
623.21442	14.1
624.21130	3.0
629.18536	6.6
630.19824	1.9
645.32275	1.5
706.17401	6.6
741.33472	6.9
773.27063	3.1
803.26892	29.4
804.27319	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	803.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01397	3.1
61.90443	0.4
61.98829	1.6
67.01899	0.9
69.03462	12.2
69.62914	2.7
71.01382	2.0
73.02976	0.6
73.58026	0.5
79.01902	6.4
81.03470	1.3
85.02945	5.1
87.00883	1.5
88.98836	0.6
89.09100	0.5
89.40007	0.4
93.03471	4.1
95.01393	2.8
96.96051	2.2
97.02968	6.2
98.03356	0.5
98.19977	0.7
101.02479	0.7
107.01399	15.5
109.02962	1.5
111.00886	0.8
111.04524	0.6
113.02452	0.8
121.02951	0.7
123.00889	3.4
125.02461	14.0
127.04051	0.6
133.02965	0.7
134.03732	1.1
135.00899	58.8
135.04518	4.3
136.01242	3.0
136.04831	0.8
137.02438	0.9
147.04558	0.6
151.00342	1.6
152.01202	0.5
153.01952	0.5
161.02466	0.8
161.06175	0.5
163.04071	0.5
166.02715	5.0
167.03510	100.0
168.03860	5.8
173.04559	5.8
175.03964	0.7
179.03552	2.5
191.02040	0.9
191.05618	21.4
192.05975	1.3
203.03671	0.5
209.04588	1.8
220.41069	0.5
269.08078	0.7
275.09174	0.8
299.44287	0.5
353.08865	2.1
354.09097	0.8
371.09821	6.4
387.20206	0.7
437.12024	0.6
455.13550	0.7
611.16956	0.7
629.19128	0.9
803.24182	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	804.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50670	0.1
59.01389	0.2
61.98836	100.0
62.98536	0.2
71.01392	0.7
71.56681	0.3
73.02950	0.2
78.98608	0.4
79.95756	0.7
80.96525	4.6
85.02959	0.2
93.28367	0.1
93.88558	0.2
94.98106	1.1
97.02988	0.2
106.98122	0.3
122.97582	0.2
124.77937	0.1
125.02441	0.2
134.97533	0.3
148.99190	0.4
152.98660	0.3
164.98668	0.8
201.11375	0.2
206.99754	0.2
209.11865	0.3
225.00801	1.2
252.53638	0.1
277.21722	0.3
302.39188	0.1
693.07947	0.2
761.37848	0.2
804.40057	1.1
805.40558	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	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01394	5.8
61.98831	8.0
65.83838	0.6
67.01891	1.8
68.02718	0.8
69.36534	2.0
69.36956	4.2
71.01382	5.6
71.01711	0.8
73.02938	1.4
75.00868	1.0
79.01836	0.8
80.96490	0.8
83.01391	1.0
83.92587	0.7
85.02948	14.0
87.00873	1.6
88.98814	1.3
89.02469	1.9
93.03452	5.4
96.96022	9.6
99.00909	1.0
101.02448	2.6
107.05022	1.3
108.02158	1.8
109.02973	5.0
111.00904	1.1
113.02421	1.2
116.92890	1.3
119.03551	1.0
119.05122	0.8
121.02950	2.5
122.03745	1.2
123.00871	2.9
123.04565	1.0
124.01664	1.4
125.02490	1.5
129.01962	2.2
134.03773	1.8
135.04544	5.5
136.01654	2.5
137.02457	27.7
137.03522	1.5
138.03230	1.6
139.00423	1.1
145.02946	1.1
147.04503	1.3
149.02472	3.7
149.06026	1.0
150.03230	6.3
151.00378	9.7
151.04005	4.9
152.01096	1.7
152.04787	1.6
153.01959	1.9
153.05565	2.3
159.04491	1.0
160.01563	1.1
161.02420	1.7
161.04646	1.1
161.06061	1.0
162.03230	1.6
163.04033	2.7
164.01106	1.6
164.04774	3.1
165.01942	100.0
165.05559	8.1
166.02731	26.2
166.11775	0.7
167.03479	4.0
168.04301	0.9
173.04546	6.4
175.00360	2.4
175.03995	2.1
176.01028	1.5
177.01939	2.3
177.05476	2.3
178.02713	3.7
179.03511	26.2
179.07155	1.3
180.04292	57.3
181.05075	30.8
182.05403	2.6
184.03839	0.9
187.04083	1.3
188.04755	1.3
189.05585	1.3
190.02675	4.0
190.06294	1.1
191.01945	6.2
191.03506	2.5
191.05608	19.3
191.07341	1.0
192.04300	2.3
192.05861	1.1
193.01389	1.3
193.04947	3.8
194.05806	3.1
195.02928	2.7
195.06638	72.9
196.06926	3.6
202.06425	1.0
203.03415	0.8
203.43805	0.9
204.04286	1.0
205.03197	1.3
205.05009	7.3
205.08694	1.5
206.05568	1.8
207.06583	3.5
208.03743	2.0
209.08189	1.0
210.05302	10.5
211.06056	2.8
219.06712	0.9
220.07338	3.3
223.06117	5.5
225.07697	52.6
226.08015	3.6
265.07175	0.8
297.03839	0.9
301.07159	1.0
327.08557	0.9
339.08725	1.0
342.11026	1.1
353.08948	1.2
357.13370	1.7
367.10364	3.4
368.10742	2.8
387.10535	2.2
387.15060	4.1
389.16153	1.2
402.13116	3.1
403.14133	2.1
416.14679	4.2
417.15546	38.2
418.15829	4.4
439.13849	2.3
565.18146	1.5
580.18933	1.2
583.22345	1.4
595.21948	46.0
596.22046	8.1
613.21674	1.3
643.24060	23.1
644.24445	5.5
805.27448	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	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22323	0.6
57.03445	1.7
59.01394	5.3
61.98532	0.9
61.98838	13.8
67.01894	1.4
67.84138	0.6
69.66914	2.8
71.01395	4.3
71.32590	0.5
72.99285	0.7
73.02949	1.3
81.03461	0.6
83.01397	1.0
85.02961	7.0
87.00888	1.3
88.98801	1.7
89.02458	1.6
93.03471	4.5
95.01402	1.5
96.96032	5.8
99.04536	1.2
101.02454	2.3
108.02197	1.7
109.02969	5.7
111.00900	0.7
111.04548	0.9
113.02474	1.2
116.92911	0.8
119.01385	0.7
119.05047	1.1
120.86532	0.6
121.02959	1.7
123.00903	2.2
123.04545	1.1
124.01660	1.4
125.02457	2.2
129.01970	1.1
133.02991	0.9
134.03708	1.7
135.04547	4.6
135.18924	0.6
136.01686	0.8
137.02458	28.9
138.02893	1.4
139.03999	0.8
145.02992	0.7
148.04076	2.0
149.02481	2.1
149.06047	0.6
150.03256	3.7
151.00395	10.8
151.04053	4.9
152.01122	1.8
152.04761	3.0
153.01910	1.9
153.05602	0.8
155.03542	1.0
159.04475	0.7
161.02461	2.0
162.03236	1.0
162.79092	0.6
163.04059	1.7
164.01176	2.1
164.04727	1.3
165.01950	100.0
165.05576	4.5
166.02733	30.2
167.03435	3.9
173.04533	4.1
175.00478	0.8
175.04010	2.1
176.01100	0.7
177.01921	2.1
177.05647	1.3
178.02681	1.7
179.03523	23.0
179.05200	1.1
179.07080	1.2
180.04298	57.5
181.05078	34.3
182.05412	1.2
182.59894	0.6
184.03670	0.9
187.03973	2.0
188.04803	0.6
189.99515	0.6
190.02754	2.3
191.01996	4.0
191.03635	1.2
191.05646	8.4
191.07210	1.2
192.04309	1.4
193.05060	2.6
194.05945	3.9
194.24921	0.6
195.03024	2.9
195.06644	75.8
196.06943	4.0
205.05046	6.0
206.05708	1.3
207.02942	0.6
207.06642	1.4
210.05350	11.0
211.05978	0.9
220.07419	2.7
223.06075	1.3
225.07704	66.0
226.08067	3.7
260.09576	0.6
329.06479	0.8
345.09622	0.8
351.10797	1.3
352.07999	0.9
356.12903	0.7
359.11496	1.3
367.10443	0.8
371.11423	1.1
372.12109	0.9
378.08334	1.0
386.13757	1.5
387.10132	4.5
387.15247	4.9
402.13342	2.7
403.14017	2.4
415.14114	1.0
416.14877	3.0
417.15570	48.2
418.15845	4.9
565.19049	1.4
580.19379	1.2
595.21899	45.1
596.22162	7.1
613.22241	0.8
643.24017	20.6
643.34662	1.0
644.24396	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	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.3
59.01384	6.2
61.98838	33.0
67.01900	1.2
69.03471	0.5
71.01387	5.2
71.56698	0.5
72.99310	1.0
73.02952	1.5
75.00910	0.6
79.95748	0.6
80.96525	0.7
81.03466	0.6
83.01413	1.2
85.02958	7.4
87.00896	0.9
88.98829	1.6
89.02462	2.0
92.05692	0.5
93.03466	5.5
96.96032	6.9
99.92610	0.6
101.02466	2.1
108.02223	1.3
109.02988	2.5
111.00881	0.9
111.04544	0.6
113.02461	1.5
116.92871	5.2
119.03558	1.1
119.05035	1.2
121.02991	2.2
123.00916	1.7
123.04530	0.8
124.01720	0.6
125.02485	1.3
133.02985	0.9
134.03746	1.3
135.04552	3.9
136.01688	0.6
137.02455	24.4
138.02873	0.8
139.04050	0.9
143.03456	0.6
145.02960	0.7
147.04517	1.1
148.01753	0.7
149.02449	2.1
150.03204	0.8
151.00389	6.7
151.03955	2.4
152.01118	1.2
152.04674	0.6
153.01903	1.2
159.04556	0.9
161.02414	1.5
161.04605	1.2
163.04010	1.8
164.01073	1.0
165.01945	99.0
166.02727	17.5
167.03401	1.2
173.04588	4.0
175.00354	0.6
175.04068	1.4
176.01065	0.5
177.01913	3.2
177.05637	0.7
178.02539	0.7
179.03500	17.0
179.07100	0.8
180.04297	61.1
181.05070	18.7
182.05415	0.9
188.71201	0.5
190.02748	2.0
190.06482	0.6
191.01936	3.2
191.03647	1.0
191.05608	8.6
192.04279	2.4
192.05991	0.8
193.04944	1.2
194.05847	3.9
195.02986	2.7
195.06641	79.8
196.06982	4.3
205.05052	2.6
206.05597	1.0
207.06581	2.0
209.02986	1.1
209.08195	1.0
210.05351	14.0
211.05917	0.9
220.07426	0.9
221.08257	0.6
223.06067	0.9
225.07701	100.0
226.08029	5.9
229.01118	0.5
251.07306	0.6
253.08934	0.6
264.17798	0.5
283.05710	0.5
312.07071	0.6
329.06366	0.5
352.07950	0.7
353.08694	0.9
355.06638	1.3
369.10123	0.8
372.12115	0.7
387.10620	2.1
387.14905	4.6
402.13193	1.0
403.13644	0.6
417.15585	22.1
418.15689	3.5
439.14273	0.6
581.20477	1.2
595.21844	7.4
596.22559	1.6
608.71704	0.6
613.22186	0.6
643.23907	12.0
644.24316	3.3
805.32178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.2
59.01380	15.3
60.99317	1.0
61.98836	25.2
69.28765	2.4
69.29174	8.4
71.01387	13.3
72.99303	2.2
73.02938	2.6
78.95924	1.7
79.95740	1.6
80.05062	2.9
80.91676	1.2
83.01407	1.4
85.02949	5.4
87.00886	1.9
88.98823	2.6
89.02444	6.7
89.57616	1.0
93.03463	3.2
94.06629	3.8
95.01369	2.0
96.96030	20.7
101.02461	6.1
104.05044	1.7
106.06654	2.7
107.03787	10.5
108.02155	1.3
113.02457	5.1
116.92857	4.5
119.03511	2.6
119.05030	1.7
120.04560	1.8
120.08214	6.5
121.02960	1.9
122.06131	81.2
123.04509	1.5
123.06503	1.7
125.02455	1.4
132.04610	2.1
133.02951	3.5
134.06117	10.5
135.04491	3.4
135.16676	1.1
136.07649	1.9
137.02438	3.8
139.02763	4.8
147.04404	1.5
148.05309	3.9
150.03162	1.5
150.05592	2.4
151.00357	1.1
151.04008	1.4
152.07182	95.9
153.07504	3.7
160.04051	1.9
161.02478	7.6
161.04532	2.5
162.05582	1.8
162.06860	1.9
163.07637	8.6
164.04787	1.4
165.02016	1.5
173.04623	2.6
174.05634	2.4
176.03564	1.6
180.04211	1.4
190.02713	2.4
190.05121	3.8
191.05617	3.3
197.11818	1.5
205.05028	3.0
209.11813	2.2
211.08904	1.3
215.11873	1.9
221.10971	1.1
223.06216	2.4
223.08722	5.8
224.09496	3.6
225.10335	3.5
235.12602	1.4
237.06671	1.4
237.10251	8.1
238.11082	3.3
239.11920	7.3
241.13455	4.4
243.14989	1.8
245.12843	2.6
250.07552	2.5
251.08179	5.2
251.11975	2.6
263.08191	5.3
264.09061	4.5
265.09854	7.3
266.10480	1.6
271.10757	2.0
277.09714	2.4
278.10580	3.1
279.11356	14.7
280.11969	2.3
281.12991	1.9
283.10797	2.5
285.12238	2.1
287.14087	1.5
291.07831	1.5
291.11362	2.6
292.12021	1.5
295.10925	3.2
299.05841	1.2
305.09290	1.6
307.10815	2.7
313.12033	1.3
323.10464	3.1
324.11298	1.9
325.11938	3.0
337.11938	1.5
339.13504	4.4
342.16138	1.3
344.14017	1.5
353.06284	1.1
355.13162	2.5
359.16373	2.9
360.17139	5.5
361.17581	1.9
369.14450	1.2
384.17282	2.4
385.14682	1.4
386.15125	6.1
387.15518	2.7
389.17310	1.3
398.15295	1.6
400.16403	1.9
402.18289	11.5
403.19128	1.8
404.19720	2.1
412.12936	1.4
414.18185	2.0
428.16241	3.5
430.17599	1.5
440.15656	1.2
444.19699	5.9
448.18747	6.3
459.18021	3.0
460.19083	6.1
461.19296	1.5
472.18881	2.4
488.18112	4.2
489.18997	3.1
502.19684	1.3
504.21262	6.1
505.21600	1.2
511.23987	1.2
520.20807	12.8
521.21234	3.2
525.24866	10.5
526.25574	1.4
549.25220	2.3
551.22620	5.3
552.23572	1.9
567.26215	10.0
568.26801	1.9
571.25555	1.9
593.23871	8.1
594.24420	2.5
611.25177	35.8
612.25555	7.2
625.26672	100.0
626.27008	20.4
643.27777	74.3
643.39398	3.1
644.27985	18.2
685.28644	8.4
686.29004	2.3
715.29565	1.5
745.30725	1.5
774.38788	1.8
776.33026	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	805.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01830	0.5
57.03444	1.3
61.98847	3.1
70.01354	2.5
70.66055	0.4
71.01395	0.6
75.77924	0.4
78.95909	1.3
78.98604	0.6
79.43240	0.5
79.95761	0.8
80.96531	3.8
83.05006	0.6
93.07081	1.2
94.98090	1.0
96.96017	1.1
97.06599	1.5
121.02998	0.9
121.10242	8.5
122.10538	0.5
125.09729	5.1
141.12906	0.8
147.08118	1.0
164.98660	0.8
165.12952	0.8
171.10295	0.7
185.11844	11.4
186.12144	0.8
197.11887	3.0
209.11821	1.5
211.13420	1.9
220.53246	0.5
223.13307	1.5
225.00597	1.0
247.20702	0.7
253.09332	1.0
273.18478	0.6
277.21756	5.7
291.19693	100.0
292.20020	8.7
476.27991	0.7
505.06531	0.6
702.58191	0.5
805.40509	3.3
806.41345	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	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
59.01371	0.7
61.98821	0.8
69.60121	0.8
69.60525	0.4
71.01377	0.5
73.02946	0.2
78.95894	0.3
78.98592	0.3
79.95752	0.2
80.96526	1.5
81.03467	0.2
83.05019	0.4
85.02934	0.4
93.07088	0.5
94.98112	0.3
95.05019	0.2
96.96027	0.6
97.06583	1.0
101.02438	0.4
111.69800	0.2
120.76665	0.2
121.10246	8.6
122.10590	0.4
123.08160	0.9
124.50053	0.2
125.09734	4.5
127.11249	0.4
127.23347	0.2
141.12825	0.7
147.08133	0.6
165.12805	0.4
171.10280	0.4
185.11838	11.9
186.12117	0.4
191.05630	0.4
197.11870	3.3
209.11880	1.1
211.13345	1.5
223.13405	0.8
225.00832	0.2
247.13327	0.6
247.20654	0.8
253.09337	1.1
273.18567	1.1
277.21744	6.9
278.22049	0.8
289.17969	0.5
291.19672	100.0
292.20038	9.5
805.40552	1.3
806.40356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01104	0.2
59.01384	2.9
61.98837	1.2
69.03448	0.3
69.40247	1.2
71.01394	2.5
73.02972	0.3
79.95739	0.2
80.96529	0.9
82.95428	0.6
85.02966	0.5
85.27255	0.1
87.00871	0.5
89.02450	2.0
94.98106	0.2
95.05035	0.2
101.02459	2.5
111.08115	0.2
113.02427	1.2
113.09780	0.4
119.03499	0.6
143.03508	0.3
161.04558	1.0
167.10751	0.2
171.10338	0.3
172.10625	0.1
178.52690	0.2
179.05617	0.3
179.14453	0.7
181.12447	0.2
195.13910	7.9
196.14354	0.7
205.12299	0.7
205.15999	0.3
211.13411	0.4
223.13399	5.5
224.13887	0.5
225.14922	0.2
228.13547	0.7
231.21152	0.3
235.08252	0.7
249.11203	0.4
253.09305	16.4
254.09660	0.8
256.13202	1.3
265.21704	0.6
265.87933	0.2
275.20172	5.8
276.20508	0.6
277.21863	0.2
285.78448	0.2
293.21246	100.0
294.21573	9.6
351.10345	0.2
449.94110	0.1
455.60233	0.2
481.30414	0.2
492.22168	0.4
529.29919	0.9
569.42072	1.6
570.42310	0.4
660.35034	0.2
805.40845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
61.98838	30.8
63.96255	3.9
67.75370	1.9
71.01389	9.3
71.55394	2.4
78.98596	8.0
79.95747	16.8
80.96524	95.8
82.95438	3.8
85.02967	3.7
86.24635	1.6
87.00882	4.1
94.98100	23.2
96.96018	4.7
97.02930	3.2
101.02448	4.5
106.98077	5.0
122.97565	4.2
125.02463	3.7
134.97627	7.6
148.99211	7.6
152.98642	6.4
157.65642	1.4
158.13008	1.6
164.98651	13.0
167.00139	1.7
171.10335	2.1
200.69902	1.9
201.11253	2.3
206.99678	3.3
209.11798	2.7
225.00795	22.7
246.28032	2.0
253.09305	2.0
255.23256	4.9
279.23346	2.4
324.83023	1.7
332.84998	1.8
347.12424	1.7
361.03323	1.8
364.71072	1.7
394.57291	1.9
525.12207	1.9
527.17383	2.5
763.39502	2.7
807.42151	100.0
808.42291	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	20.4
59.01390	35.8
59.02519	20.5
61.98838	96.5
64.80598	22.3
68.08268	19.1
69.63006	36.4
69.63412	89.9
71.01395	17.3
78.95886	18.4
81.28563	16.3
85.02943	36.8
87.04510	29.9
91.07220	19.5
96.96057	41.9
98.20629	34.9
111.00887	29.2
117.60553	19.0
127.83178	19.2
129.02010	19.9
131.01064	25.2
131.03503	87.6
161.25363	19.6
171.10321	29.1
181.27272	22.4
209.11865	100.0
293.21313	64.2
378.01099	20.4
807.42169	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28292	83.1
78.15321	45.6
93.71986	34.7
96.79152	40.2
97.89371	37.0
103.53974	46.9
114.49982	39.8
119.01648	35.9
122.30569	41.7
158.57417	51.2
199.11226	45.3
235.10039	46.7
273.13626	40.7
277.21707	100.0
307.96786	38.1
504.21625	49.4
626.57214	50.1
789.88910	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01446	0.2
57.03441	0.6
58.37820	0.2
58.44379	0.2
59.01367	0.3
59.88706	0.2
61.98811	0.2
69.03458	0.3
69.69352	0.3
69.69746	0.9
71.01402	0.2
80.96552	0.3
89.85995	0.2
97.06592	0.6
101.02451	0.2
123.08161	0.5
125.09748	2.7
141.12854	1.2
149.09711	1.5
151.11232	0.2
171.10211	0.2
173.37244	0.2
185.11841	7.1
185.13492	0.4
186.12279	0.3
197.11842	2.0
209.11926	0.3
213.40128	0.2
218.52602	0.2
239.05780	0.2
249.22183	1.0
253.09300	0.8
275.20108	0.4
277.21658	0.3
279.23328	5.7
280.23602	0.4
293.21249	100.0
294.21585	9.7
313.23898	0.2
352.30322	0.2
384.07568	0.2
510.25076	0.2
520.36884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
58.00565	0.5
59.01386	8.4
61.98830	3.5
69.03477	0.8
71.01391	7.1
71.58465	0.7
72.99332	0.7
73.02969	2.0
75.00880	0.8
76.14961	0.4
80.91692	0.9
83.01412	1.3
85.02962	4.5
87.00895	1.6
88.98838	0.6
89.02467	1.5
91.01907	2.4
93.03455	3.0
95.01409	0.9
96.96022	5.6
99.00880	0.6
99.87516	0.4
101.02460	4.3
108.02222	1.0
109.02972	1.0
111.00932	0.9
113.02486	3.2
115.00389	0.5
116.92872	0.9
118.99020	0.5
119.01396	7.7
119.03510	0.6
119.05083	0.6
121.02964	6.6
123.04536	0.8
125.02478	1.5
129.01941	0.5
132.02158	0.6
133.13406	0.6
134.03745	1.4
135.04541	3.4
136.01709	0.8
137.02483	1.0
145.02965	0.9
146.03738	1.6
147.00888	6.3
147.04536	2.0
149.02457	30.1
150.03102	1.1
151.04013	0.9
152.01180	3.0
160.01677	0.8
161.02490	1.3
161.04581	1.6
161.05956	0.4
162.03209	0.8
163.03992	1.9
164.04810	21.3
164.11623	0.5
165.01938	3.1
165.05228	1.4
166.02582	0.7
173.04568	1.4
175.00380	46.3
175.03796	1.0
176.00911	3.0
177.01929	0.7
179.03593	0.9
179.07123	2.3
180.04172	0.9
181.04926	0.7
189.01936	1.3
189.05685	0.5
190.02734	88.3
191.03296	6.0
191.05656	1.7
192.04213	0.5
193.01323	0.8
193.05130	0.6
195.06602	0.9
205.05074	100.0
206.05403	5.8
208.03749	3.3
209.04568	1.5
218.02245	1.3
223.06133	28.6
224.06447	1.4
225.07730	0.8
233.04515	3.0
237.09792	0.8
327.05161	0.6
330.60272	0.5
339.84186	0.6
373.70087	0.6
385.09814	0.6
417.08212	0.7
425.14871	1.4
442.01663	0.5
443.15607	3.4
564.62592	0.6
572.16760	0.6
573.17694	0.8
587.19849	39.9
588.20282	6.1
605.11633	1.0
605.20929	16.5
605.30756	0.8
606.21094	2.1
811.26495	10.2
812.27417	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	813.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
65.00353	0.8
70.59544	1.5
71.01384	1.5
73.02956	0.8
79.01897	0.7
83.01410	0.8
85.02979	1.8
88.98804	0.5
93.03447	1.3
95.01824	0.7
96.96007	1.7
97.02915	1.6
101.02445	1.7
107.01420	1.1
109.02982	1.6
113.02466	1.3
119.05035	1.5
121.02960	1.8
125.02465	1.3
133.02980	11.3
134.03775	0.9
135.04533	2.6
137.02487	1.4
139.26874	0.5
145.02928	0.8
147.04506	1.9
149.02426	2.1
151.00426	0.9
151.03993	0.7
153.01910	0.9
161.02446	2.0
163.00368	1.2
163.04059	3.1
164.04747	0.7
165.01904	1.6
173.04616	0.6
175.03995	3.0
177.02037	1.1
179.03470	1.2
182.29234	0.6
183.06602	0.8
191.03491	1.9
191.05583	1.6
193.01389	1.7
193.05045	0.9
199.03979	1.8
201.01926	1.0
203.03506	0.7
203.12852	0.7
211.04007	0.9
212.04680	0.8
213.05611	1.5
225.05702	1.0
227.03409	0.7
240.04295	1.0
241.04970	1.1
243.02928	0.8
253.04997	1.3
255.02942	0.7
255.06682	0.9
267.06915	1.2
269.04559	0.9
277.15628	0.8
284.03296	9.3
285.04071	7.5
297.04044	16.8
298.04739	10.0
299.05627	18.4
300.05954	1.4
309.04239	1.0
311.05536	3.2
324.02722	0.7
325.03690	1.2
327.05121	99.6
328.05487	9.6
339.05081	3.1
341.06625	0.9
357.06192	26.3
358.06598	2.7
365.18170	28.5
366.18475	2.9
369.06155	2.7
385.11633	1.0
393.06183	1.4
411.07257	0.9
447.09357	100.0
448.09689	13.8
828.26965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.3
59.01394	7.0
61.98822	1.8
63.02072	0.8
69.59910	1.6
69.60312	4.7
71.01383	4.1
73.02944	1.7
75.00822	0.8
81.03458	2.6
83.01371	1.3
83.05027	5.3
85.02936	4.7
87.00874	2.2
89.02441	3.2
90.19650	0.8
91.05541	30.2
93.03455	5.9
95.01406	1.1
96.96014	10.2
98.65931	0.8
101.02452	2.8
108.02181	3.7
109.02960	2.2
111.00866	1.9
113.02458	2.6
119.05045	2.5
120.04648	0.7
121.02990	1.9
123.04571	1.6
123.54603	0.9
128.03554	1.5
129.01962	1.2
133.01401	1.7
133.02971	2.0
134.03767	1.6
134.89487	12.2
135.04538	69.2
136.04837	3.4
137.02444	3.3
145.06621	1.3
149.02452	1.8
150.03238	1.6
151.04024	1.6
152.01146	3.4
153.01973	1.5
155.03517	0.9
161.02443	2.8
161.04460	1.1
163.04016	1.7
164.04868	0.8
165.01945	1.1
165.05519	2.2
167.03458	1.0
173.00923	0.9
173.04582	5.1
175.04010	1.4
177.01869	1.1
179.03433	3.2
180.04265	1.0
181.05009	1.6
189.05649	1.9
190.02660	1.8
191.01941	1.1
191.05609	9.9
193.05016	1.5
195.06598	2.0
205.05052	1.5
206.05638	0.9
208.98750	1.0
209.08128	0.8
218.09238	0.8
225.16104	7.5
233.04556	1.1
249.05444	1.3
297.04028	1.2
315.07315	1.8
342.97903	0.8
423.82037	1.0
451.32996	3.1
461.57388	0.8
491.11914	1.1
550.42474	1.0
595.14752	1.5
621.13232	0.9
651.15332	1.5
677.49731	100.0
678.50110	22.5
730.21967	1.0
813.21161	0.8
813.27356	0.7
813.55487	1.4
838.03101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16333	0.6
59.01384	9.5
67.01900	3.5
69.63452	1.8
69.63859	2.3
71.01390	2.6
72.99308	2.6
73.02968	0.9
81.37612	0.6
83.01388	4.1
85.02967	16.1
85.25040	0.7
87.00884	1.1
88.48859	0.6
89.02463	2.4
93.03474	1.1
96.96036	1.5
98.20640	1.0
99.00870	0.9
101.02445	3.6
111.00895	100.0
112.01247	3.3
119.03490	1.1
125.15079	0.7
129.01930	4.2
133.02960	0.8
134.03758	2.3
135.04553	1.7
151.03917	0.7
154.99886	14.4
160.06172	1.1
161.02495	0.8
161.04541	0.8
168.04344	1.5
173.00931	59.3
173.04582	1.9
174.01305	1.7
175.04025	1.1
179.03506	1.0
183.06596	1.4
191.05600	4.0
193.05116	1.7
209.11882	1.1
211.09648	0.7
253.45261	0.7
285.04047	1.4
294.77887	0.8
297.03946	1.9
298.04877	1.2
299.05563	0.8
325.14581	0.8
326.12936	0.7
327.05222	4.7
357.06259	3.4
367.06653	4.4
387.16504	0.7
447.09369	8.3
448.09543	1.0
695.04388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00859	0.6
59.01394	3.8
70.85954	1.6
71.01395	1.1
77.03980	1.1
83.01424	0.9
85.02953	3.3
87.00855	1.0
93.03481	3.7
96.96023	1.1
101.02486	0.9
108.02149	1.1
109.02972	2.7
111.00895	1.1
111.30811	0.7
113.02415	0.7
119.04989	0.7
121.02957	2.1
125.02461	1.2
127.03986	1.3
133.02959	10.0
134.03749	1.2
135.04523	2.5
137.02499	1.5
149.02434	1.2
151.00401	0.8
161.02452	2.1
163.00360	1.5
163.04007	2.7
165.01942	0.8
173.04524	2.8
175.04019	3.3
177.01909	1.0
179.03534	1.0
181.08730	0.8
191.03726	1.6
191.05630	31.2
192.05931	2.0
193.01447	1.1
193.05057	1.0
199.03719	0.8
201.02115	0.8
205.05191	0.9
213.05534	1.3
240.04576	0.7
253.05101	1.3
255.03104	0.9
255.06725	1.1
264.71555	0.7
284.03229	8.3
285.04077	7.5
297.00992	1.3
297.04102	14.4
298.04822	8.8
299.05627	16.4
300.05841	1.9
309.03940	1.0
311.05722	2.5
325.03622	0.7
327.05121	100.0
328.05515	10.9
339.05179	3.4
357.06213	26.4
358.06534	3.0
367.10510	3.8
369.06119	2.8
393.06116	1.6
447.09360	89.6
448.09790	14.1
482.09271	0.7
616.82526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.4
61.98835	4.5
66.07153	0.4
71.01392	3.2
73.02984	0.6
78.66291	0.4
80.96546	0.9
83.01419	0.7
85.03000	1.3
87.00894	0.7
88.98838	0.8
89.02481	1.5
93.03476	6.9
94.77014	0.4
95.01405	0.6
96.96033	2.4
98.20679	0.9
98.34048	0.5
99.00906	0.3
101.02476	1.8
105.83805	0.4
108.02174	2.1
111.00902	0.4
111.68855	0.5
112.70284	0.3
113.02464	0.7
113.68990	0.3
117.03477	0.5
119.05102	0.7
121.03025	1.1
123.04518	2.0
125.02506	0.4
126.90942	0.3
130.42418	0.3
131.05083	0.7
134.03761	2.3
135.04500	0.5
137.02489	1.3
143.05063	4.5
145.02980	0.8
147.04539	0.4
149.02475	0.5
149.06113	1.2
150.03217	0.5
151.00343	0.6
155.04973	0.5
158.03783	1.5
159.04495	3.2
160.01746	0.6
161.02451	4.1
161.04594	0.4
161.06194	0.7
163.04051	0.9
163.07664	0.9
164.04814	0.9
171.04576	1.3
173.04602	1.5
173.06041	0.8
175.04057	1.0
185.02444	0.5
187.04025	5.0
190.02754	0.7
191.05659	1.4
199.04034	4.6
202.02826	0.4
203.03539	1.6
205.05048	0.9
207.08224	1.3
221.06091	0.7
223.06142	0.5
226.02771	1.6
227.03552	6.6
229.01326	0.5
235.07750	3.3
236.08432	2.2
237.08936	0.4
243.02972	3.4
247.07643	3.2
248.08328	1.4
249.05724	0.7
263.07141	5.9
264.07941	11.0
265.08267	0.8
267.06531	0.4
270.01706	2.2
271.02505	14.2
272.02853	1.4
279.10321	8.0
280.10550	0.5
284.03265	1.0
285.04111	6.0
286.04538	0.7
299.02005	45.1
300.02356	3.2
308.06967	1.2
309.03918	0.5
309.07748	0.4
313.03580	9.5
314.04349	48.9
315.04773	4.2
323.09265	25.0
324.09546	2.3
328.05823	1.8
329.06686	100.0
330.07025	8.8
336.06653	0.4
378.52603	0.4
397.57837	0.4
461.07196	3.9
474.73853	0.5
476.09683	4.4
477.09665	0.7
491.11993	10.8
492.11969	0.8
617.26660	0.4
653.16656	33.8
654.17084	8.0
815.22040	0.7
815.48175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98833	3.6
65.00340	0.6
71.01384	3.7
71.58322	0.5
72.99308	0.7
73.02918	0.7
79.01722	0.4
80.96523	1.6
83.01397	0.5
85.02946	1.7
86.50117	0.4
88.98827	0.9
89.02456	1.6
93.03466	2.5
96.96009	3.1
97.03024	0.5
101.02435	1.7
108.02155	0.5
109.02975	0.8
112.06366	0.6
113.02446	0.6
117.03476	1.6
119.05039	42.5
120.05360	1.8
121.02957	1.2
125.02409	1.0
128.03526	0.7
134.03780	0.6
135.04547	0.6
137.02438	1.1
148.05258	0.5
149.02455	0.8
151.00366	0.8
152.01154	0.8
163.04028	23.9
163.07614	0.7
164.04398	1.3
173.04572	1.5
181.05035	0.5
190.02847	0.6
191.05638	1.6
195.06564	0.5
204.63469	0.5
205.04996	0.9
266.02213	2.2
267.02991	1.1
269.13013	0.5
274.14517	0.4
280.03793	0.5
281.04370	0.5
294.01657	3.2
295.02527	3.2
296.03027	0.5
307.02542	0.5
307.06201	0.7
308.03430	1.1
309.04007	0.7
323.01993	4.4
324.02679	1.6
325.03424	0.7
327.06949	0.5
329.06760	0.9
335.01855	1.0
336.02640	1.4
337.03525	7.7
338.04303	6.5
339.04831	1.0
349.03513	1.0
349.48489	0.5
350.04303	0.9
351.05167	2.4
353.06607	1.5
359.05624	1.0
363.72055	0.5
365.06699	0.8
372.06479	0.6
387.04755	0.8
387.09216	0.6
388.05832	0.9
398.04233	0.6
399.05203	1.3
400.05994	0.8
415.04575	1.6
416.05133	1.0
427.04553	2.1
431.07901	3.1
443.03802	1.8
443.08585	1.1
444.04684	5.4
445.05057	1.2
458.05933	0.7
459.07187	17.6
460.07605	2.8
461.08615	1.5
473.08643	3.9
474.09613	11.0
475.10092	2.0
489.11954	36.5
490.12415	4.8
492.10516	0.5
507.12943	3.3
508.13721	0.6
528.13281	0.6
531.12952	1.4
638.14301	0.6
641.35168	0.6
651.17554	0.8
653.16663	100.0
654.17017	22.0
669.18170	0.8
690.56775	0.5
815.21643	1.0
815.35413	0.8
815.49127	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	815.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01148	0.8
59.01390	8.5
61.98837	8.6
67.31148	0.8
71.01391	10.1
71.58321	1.1
73.02940	2.1
79.95721	1.1
80.96526	4.8
83.01389	1.5
85.02959	3.4
86.77749	0.8
87.00877	1.4
88.64852	0.8
88.98839	1.3
89.02464	4.0
93.03477	5.7
96.96036	3.6
97.02938	1.1
99.04486	0.9
101.02456	4.9
108.02167	2.6
111.04525	1.5
113.02452	3.7
116.92899	0.7
117.03465	1.0
119.03551	1.4
119.05041	26.7
120.05344	1.1
121.02970	1.5
123.04542	1.3
125.02463	1.2
134.03709	0.8
135.04482	1.4
137.02431	2.1
143.05089	1.8
145.02934	0.9
146.23837	0.8
148.05310	10.7
149.02409	1.1
149.06024	1.5
151.00417	1.9
152.07179	0.8
152.08417	1.4
153.09244	5.1
158.03615	0.8
159.04453	1.4
161.02472	4.6
161.04552	3.2
163.04021	12.0
163.07646	12.2
164.08014	0.7
165.05545	1.0
166.63928	0.8
173.04588	1.0
183.04628	0.8
185.02498	0.9
187.04027	2.2
191.05618	1.8
195.06615	0.8
199.04030	2.8
203.03522	2.6
205.05054	2.0
205.12347	2.7
223.13287	1.3
225.00653	0.9
227.03508	9.4
229.01357	1.4
229.03525	1.1
235.07706	1.9
236.08461	1.6
243.03008	1.7
259.96204	1.0
263.07190	3.2
264.07907	7.3
267.03098	1.2
271.02521	15.5
279.10312	4.2
280.03857	1.0
285.04041	1.5
294.01764	2.3
295.02438	1.9
299.01999	60.4
300.02359	4.7
308.03262	0.9
308.06842	1.1
308.57700	0.9
313.03378	4.0
314.04346	61.3
315.04645	4.3
323.01917	2.1
323.05649	1.5
323.09296	15.0
324.02530	1.1
324.09705	2.0
325.13000	1.3
329.06683	100.0
330.07065	8.7
337.03497	6.7
338.04160	4.3
339.05038	1.3
349.03339	1.1
351.05035	2.2
385.18759	3.6
393.11948	5.6
415.04654	0.9
427.19424	1.1
428.05316	1.0
431.07779	1.9
443.03314	0.8
444.04907	2.3
453.17645	13.2
454.17871	1.4
459.07251	10.5
460.07568	2.2
473.08725	3.5
474.09534	7.2
475.09848	1.1
489.11987	23.1
490.12439	3.0
491.11612	1.0
507.13141	1.2
562.28339	1.0
651.16650	3.9
653.16681	79.3
654.16998	15.7
669.17932	1.1
815.21716	4.3
815.35687	1.1
815.50079	5.0
816.21637	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	815.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98816	2.4
64.36417	1.0
71.01377	8.1
71.02847	2.5
71.21258	1.1
73.02949	1.4
78.95904	3.3
78.98605	3.4
79.95738	8.0
80.96523	38.3
83.01391	1.3
83.05030	3.4
85.02971	3.5
87.00912	1.6
88.98821	2.5
89.02444	3.2
94.98100	8.1
97.02992	1.1
101.02454	2.8
106.98081	1.8
122.97608	1.8
125.02456	2.0
125.49237	1.1
133.18756	1.3
134.97621	2.4
148.99150	4.2
152.98643	3.2
161.04530	1.5
163.11305	3.1
164.98653	6.2
165.12793	2.2
171.10181	1.2
206.99728	1.5
209.11845	100.0
210.12138	5.8
225.00761	6.7
227.12897	12.5
235.08272	4.8
253.09322	7.5
255.23315	2.1
277.21741	95.4
278.22006	8.5
279.23254	1.8
320.53363	1.1
445.20917	2.0
725.39490	2.1
815.49896	39.9
816.49878	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	815.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56519	0.8
63.96225	2.5
64.11177	0.8
70.20947	3.2
71.01391	9.3
72.34727	0.7
73.02945	3.0
78.98608	7.8
79.37685	0.7
79.95746	16.5
80.96529	97.3
81.03482	1.0
85.02955	3.5
87.00880	4.9
88.76310	0.8
94.98099	21.0
96.96007	2.1
97.02955	1.9
101.02435	3.3
106.98104	4.4
122.97607	3.7
124.31419	0.9
125.02427	3.0
134.97610	6.0
136.99144	1.4
146.97610	1.2
148.99171	8.1
152.98669	6.7
164.98651	14.8
191.05544	1.4
206.99791	3.8
225.00749	18.0
255.23586	1.8
277.21924	1.0
537.27692	1.7
559.26056	1.1
561.39307	1.0
588.09155	0.8
779.43829	1.3
815.49933	100.0
816.35211	1.5
816.50269	21.8
816.65344	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	815.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87850	0.3
57.03454	0.4
59.01392	1.8
61.98830	1.5
62.95067	0.3
63.96244	2.5
69.03457	0.9
69.99052	0.4
69.99375	1.6
71.01395	9.8
72.99323	0.5
73.02950	1.9
78.95908	0.7
78.98606	7.8
79.95748	17.2
80.96528	100.0
81.03474	0.9
81.96471	0.6
85.02964	3.4
87.00889	4.0
93.97345	0.3
94.98100	22.4
95.01395	0.4
96.96040	1.7
97.02951	1.5
99.00896	0.9
99.04548	0.4
101.02461	3.0
106.98109	5.0
107.17709	0.3
113.02477	0.3
116.97369	0.3
122.97597	4.4
124.26910	0.3
125.02462	4.2
127.04033	1.1
134.97603	6.1
136.99159	2.0
141.01732	0.4
146.97614	0.7
148.99158	7.6
152.98651	7.8
152.99614	0.3
164.98645	15.2
167.00136	0.4
169.19121	0.3
206.99721	2.8
225.00771	18.2
226.01073	0.6
255.23300	2.6
277.21768	0.8
283.04962	0.4
318.42139	0.3
347.84839	0.4
520.80103	0.4
537.27515	1.0
559.25922	1.8
572.44843	0.4
604.41711	0.3
708.80664	0.3
815.49927	90.1
816.50250	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	817.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
59.01386	100.0
60.99302	3.2
61.98541	3.4
61.98836	57.7
64.68520	3.1
69.44652	24.6
71.01389	42.6
72.99316	7.2
73.02948	13.1
75.00900	5.6
78.01775	3.2
80.96528	3.8
83.01389	11.1
85.02949	25.2
87.00883	6.6
88.98800	7.0
89.02450	22.8
93.03463	17.8
95.01389	4.3
96.96016	36.1
99.00877	5.9
101.02457	26.6
106.97445	3.2
108.02164	10.7
109.02930	5.7
113.02446	22.2
116.92877	7.0
119.03510	4.2
119.05093	3.5
121.02926	5.5
122.41747	3.2
123.00843	4.2
123.04493	3.9
125.02421	10.5
133.02884	3.9
134.03758	9.7
135.04562	15.4
137.02463	19.8
139.67307	3.4
143.03549	3.5
145.02943	4.6
149.02423	8.0
149.05995	3.7
150.03276	4.0
150.06857	26.8
151.00336	3.3
151.03925	4.0
152.01082	7.3
153.02002	4.0
161.02470	8.1
161.04590	6.0
163.03989	5.6
163.07661	11.7
164.04767	9.5
164.08379	5.8
165.01985	7.6
165.05463	4.1
173.04532	15.8
173.05978	5.8
175.03960	4.7
179.03522	6.1
179.07069	5.5
179.10808	22.7
187.04196	3.7
190.74158	3.4
191.05685	21.2
193.04988	4.9
200.01128	9.0
200.75777	2.9
201.37337	3.2
202.02756	3.7
205.05008	7.4
209.06184	6.1
217.05051	10.3
221.06145	3.5
228.00690	19.1
229.01384	11.9
236.04808	6.1
237.05563	18.1
238.06256	5.2
239.07141	5.7
243.03101	26.0
252.07961	7.9
253.05130	6.2
264.04333	9.5
265.05042	24.5
266.05820	11.7
267.06787	17.6
268.07516	3.4
269.04306	6.9
269.08136	6.7
279.06696	10.6
280.07416	22.7
281.05142	5.5
281.08218	38.9
282.08893	11.0
283.06149	24.2
284.06659	3.9
285.03903	4.1
295.09799	28.1
296.06863	4.5
297.07703	10.0
297.10864	5.6
299.02060	5.2
308.06973	6.3
310.04767	3.7
314.04379	4.3
323.05829	8.1
323.09247	31.9
324.06305	6.2
325.07098	12.6
326.07858	16.5
329.06567	13.8
339.08820	17.2
341.07230	3.2
341.10342	31.2
351.05191	6.4
352.08249	7.4
365.10693	3.5
367.08121	20.6
383.11447	4.8
384.08200	3.5
467.13416	12.7
469.15341	3.7
483.12839	3.9
493.35242	4.3
629.18927	7.9
637.17584	4.2
637.39050	3.2
654.40582	5.2
655.40686	66.1
671.20001	22.2
689.20868	11.3
713.20782	14.6
731.22577	17.7
732.21893	4.1
757.20349	4.8
773.22858	15.8
775.21979	4.5
816.50330	5.1
817.22357	44.0
817.35120	5.0
817.46460	12.8
818.21429	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	817.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.3
59.01108	4.6
59.01387	73.7
60.86631	2.7
61.98571	2.6
61.98835	28.5
67.01887	7.9
69.03447	5.4
69.57090	18.9
70.60832	3.3
71.01389	35.7
72.99306	6.6
73.02955	17.6
73.36856	2.6
75.00878	3.0
80.08018	2.8
80.96475	3.5
83.01384	11.9
83.05058	2.6
85.02956	44.0
87.00875	10.5
88.98804	11.1
89.02446	9.9
93.03465	42.7
95.01404	3.7
96.96023	40.3
97.02930	3.1
97.14870	2.6
99.00902	5.8
99.04566	2.6
99.50315	2.7
101.02457	21.9
108.02174	11.9
109.02937	7.7
109.61462	3.0
111.00895	11.2
111.04502	3.9
113.02445	9.4
116.92891	3.1
119.05082	6.3
121.66782	2.6
123.04469	5.6
124.01680	5.2
125.02465	9.1
130.04282	3.3
133.02997	17.1
133.76114	2.7
134.03784	16.0
135.04547	33.5
136.01796	3.3
137.02451	24.8
139.03989	2.7
143.03477	4.8
145.02982	4.3
145.06065	3.6
148.05301	7.1
149.06155	3.1
150.03258	3.6
151.04015	7.9
152.01161	4.9
153.01979	4.5
157.02902	2.7
158.03687	4.0
159.04495	2.9
161.02400	7.1
161.04529	4.4
163.03989	19.3
163.07658	12.0
164.04803	3.9
165.05682	3.3
166.02597	3.0
167.55057	2.4
173.00938	3.6
173.04578	47.9
173.06020	4.9
174.04797	3.0
175.03973	5.4
177.01883	4.4
178.02721	7.9
178.06387	13.2
179.03560	14.2
189.05540	5.1
190.02705	5.1
191.01958	12.6
191.05640	60.5
192.05972	5.8
193.05016	7.4
193.08745	22.2
194.45818	3.2
195.06647	4.4
200.01175	26.7
203.03426	3.3
205.05051	4.3
209.03049	12.6
209.06079	5.6
209.11833	7.6
217.05127	4.7
219.04533	5.6
223.06091	3.7
225.05727	3.0
228.00638	48.0
229.01457	44.1
230.01958	3.6
236.04768	9.9
237.05569	23.8
240.04301	4.5
241.04973	4.0
243.03011	100.0
244.03291	6.0
248.04845	3.5
249.05637	3.2
251.07179	3.9
252.07880	10.1
253.05110	3.6
255.06685	3.7
263.03510	3.2
264.04251	13.3
265.05045	33.5
265.07550	4.9
266.05698	7.7
267.06635	10.0
268.03687	10.9
268.07190	4.7
269.04449	6.5
269.08154	12.5
279.06619	12.2
280.07388	22.9
281.04709	4.5
281.08121	11.6
282.08936	7.3
283.06189	34.8
284.06641	3.6
291.02832	4.9
291.06418	2.9
292.03650	5.3
293.04541	11.6
295.09790	30.9
296.06845	9.1
296.09995	4.2
297.04483	4.8
297.07639	16.6
306.05173	7.8
307.02625	3.4
307.06146	8.6
308.06821	8.5
310.04584	3.4
311.05334	3.3
323.05750	3.6
323.09274	7.3
324.06378	16.6
325.07162	5.1
326.07889	3.3
329.06638	4.7
330.06924	3.1
332.07239	3.0
334.04706	5.6
339.08755	35.5
341.10458	14.5
349.03271	2.1
349.07199	44.9
350.07654	4.2
351.05066	8.4
352.08603	13.8
365.06543	5.6
366.07190	13.8
367.08051	57.7
368.08600	7.4
370.05365	4.5
383.11343	3.3
411.10678	3.1
413.12241	5.5
469.14908	11.5
511.12411	4.2
525.14606	4.4
527.15753	3.3
619.88965	2.9
625.24927	4.6
655.40601	3.5
687.18671	3.5
692.58893	3.0
705.19897	4.6
713.20050	4.6
757.19977	13.9
775.21350	8.8
799.30646	16.2
817.21985	98.7
817.35535	4.1
818.21967	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	817.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01385	1.4
67.01890	0.5
71.01395	1.1
71.57330	0.2
73.02947	0.3
81.03490	0.2
83.05041	0.2
85.02960	6.8
87.00888	1.7
93.03471	4.1
96.96038	1.1
101.02453	0.5
108.02165	0.3
109.02972	0.9
111.00896	0.3
111.04539	1.2
113.02451	0.5
115.84134	0.2
123.02158	0.2
125.02361	0.2
127.04018	1.9
127.79108	0.2
133.02974	0.8
134.03754	0.3
135.04553	4.9
137.02463	0.6
155.03513	0.5
161.02469	1.9
161.04436	0.2
171.03006	0.5
173.04565	7.5
173.06055	0.4
174.04909	0.3
179.03514	4.6
180.03873	0.3
191.05632	100.0
192.05975	4.6
250.28864	0.2
276.98642	0.2
351.07321	0.2
353.08801	16.0
354.09244	1.9
408.14432	0.2
463.13812	0.2
604.28900	0.2
707.99762	0.2
817.22601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
57.20175	0.6
58.00604	1.0
59.01104	1.2
59.01384	15.5
65.11602	0.7
66.32286	0.7
67.01885	1.3
68.99834	1.3
69.03472	1.4
71.01385	19.9
71.56519	1.0
72.99316	4.6
73.02950	2.2
75.00880	13.9
78.16094	0.7
81.03446	0.7
83.01387	1.7
85.02958	23.5
87.00881	8.5
89.02449	5.8
91.05542	10.9
93.03474	3.6
95.01382	4.4
96.96027	4.2
99.00891	7.5
100.35793	0.6
101.02472	1.4
103.00377	2.3
108.02171	0.8
109.02991	1.8
110.00118	1.4
111.00893	1.6
113.02460	28.2
114.02776	1.1
115.00373	1.4
117.01958	1.6
117.03462	3.7
121.02956	0.8
125.02464	2.2
129.01947	2.4
133.02971	1.7
134.03722	1.3
135.04559	7.1
137.02444	3.2
137.99602	2.5
139.00211	0.7
139.95787	0.7
151.55647	0.7
153.01955	52.7
154.02248	2.4
157.01465	1.1
159.04535	0.7
161.02393	0.7
165.05573	0.7
168.04292	48.9
169.04597	2.5
173.04561	3.9
173.05891	0.7
175.02473	2.3
178.02617	1.0
183.06638	47.0
184.06950	2.2
184.48022	0.8
187.07629	1.0
191.01982	0.8
191.05649	9.4
192.05966	0.9
193.05099	1.5
203.05650	0.7
203.53250	0.7
205.07172	1.0
207.05083	1.1
211.06100	1.7
231.05074	1.5
249.06166	24.9
250.06522	1.4
257.44696	0.7
267.07217	68.8
268.07516	4.5
281.06662	0.9
284.03262	1.0
285.04013	0.9
297.04056	1.7
298.04630	0.7
299.05582	1.9
325.46661	0.7
327.05090	8.1
328.05429	3.2
329.05685	1.5
353.13748	0.7
357.06244	1.5
358.06680	0.8
385.11432	100.0
386.11850	10.1
387.12967	1.0
447.09460	5.6
448.09845	3.7
449.09943	1.8
493.13483	2.1
756.23206	0.8
817.24963	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	817.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44633	0.3
58.46326	0.4
59.01385	100.0
60.01724	1.4
61.98835	18.8
65.26472	0.3
69.03449	0.6
70.10373	1.6
71.01387	2.5
73.02966	0.7
78.95876	0.5
78.99942	0.3
79.95747	0.7
80.96526	2.2
82.96120	0.4
85.02954	0.9
87.00880	0.5
89.02459	1.6
90.15923	0.4
94.98078	0.4
96.96017	1.1
96.99313	0.6
97.02949	1.1
101.02450	1.7
113.02470	1.2
119.03514	0.5
125.02477	0.9
141.01717	53.8
142.02046	1.0
142.05061	0.8
148.99130	0.4
153.01709	0.5
176.37453	0.3
179.05710	0.6
209.11777	0.8
235.08295	1.0
275.59354	0.3
277.21747	6.4
278.21927	0.4
284.57556	0.4
305.08875	0.6
359.21964	4.2
397.13522	9.3
398.13971	1.2
415.14618	1.8
419.11646	2.6
437.12842	3.7
469.06583	0.4
675.35461	0.7
697.34174	1.4
817.50195	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	817.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84358	0.3
59.01388	100.0
60.01721	1.0
61.98840	10.9
63.41588	0.3
63.96042	0.3
69.03473	0.3
70.57799	0.8
71.01388	2.9
73.02968	0.5
78.95892	0.5
79.69854	0.3
79.95757	0.4
80.96537	1.9
82.96122	0.6
85.02985	0.8
87.00893	0.6
89.02460	2.1
90.24609	0.3
92.30788	0.3
95.01421	0.4
96.96030	0.5
96.99309	1.7
97.02983	1.0
101.02465	1.5
113.02467	0.9
119.03503	0.7
125.02422	0.9
141.01721	54.1
142.02043	1.3
142.05089	0.5
153.01758	0.5
158.76012	0.3
176.56760	0.3
197.11726	0.4
217.07184	0.4
235.08276	1.2
243.04967	0.4
277.21741	5.9
278.22070	0.9
287.23416	0.4
305.08597	0.5
359.22076	4.5
360.22516	0.6
397.13535	11.3
398.13876	1.2
415.14740	2.4
419.11728	2.4
437.12723	4.0
469.06290	0.5
675.36005	0.7
697.34741	1.9
698.34790	0.4
816.50836	0.5
817.51056	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	819.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
61.98824	0.7
67.62849	0.3
69.50335	2.0
70.24362	0.3
70.55637	0.3
71.01400	1.7
73.02950	1.1
79.95765	0.4
85.02972	0.9
87.00896	0.6
88.20663	0.3
89.02464	0.5
95.01416	0.3
96.96019	3.7
97.02946	0.7
101.02454	1.1
107.01370	0.6
108.02156	0.5
109.03010	0.4
113.02462	1.3
117.03458	0.8
119.05016	0.7
121.02888	0.4
125.02470	1.4
132.02182	29.3
133.02890	1.9
134.03751	15.8
135.00905	1.0
135.04596	1.5
137.02446	1.1
140.85912	0.3
141.28955	0.3
147.04518	0.4
149.06099	2.7
152.01190	1.8
160.01671	94.1
161.02243	5.6
161.04530	0.3
163.04047	0.3
171.10374	0.4
175.04010	100.0
176.04359	6.2
178.02745	2.1
179.03474	0.9
188.54295	0.3
191.03856	0.3
191.05594	0.6
191.07220	0.5
193.05063	11.2
194.05370	0.9
209.11824	0.9
209.89214	0.3
215.14468	0.4
235.05853	0.5
243.06624	2.2
247.06186	0.6
265.07062	0.8
301.06931	0.3
305.60364	0.3
319.08304	1.1
337.09344	1.2
362.16345	0.4
403.25037	0.5
513.14099	2.4
541.16052	1.1
559.16797	0.9
565.15454	0.4
583.16760	1.8
584.17090	0.5
601.17804	3.6
602.18365	0.5
625.18018	1.1
626.18835	0.4
643.18640	2.5
644.42444	0.3
717.20795	1.3
735.21246	0.8
759.21625	2.9
760.22418	0.6
777.22516	5.1
778.23572	1.2
819.23785	10.4
819.40228	1.9
820.23846	2.8
831.30847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.0
60.41053	0.4
61.98838	6.7
69.03479	0.7
71.01397	2.2
73.02966	0.8
77.33547	0.4
78.95939	0.5
79.95755	0.6
80.96535	1.6
87.00900	0.7
87.26305	0.4
89.02443	2.4
96.96034	1.5
96.99344	1.2
97.02950	1.1
98.20761	0.9
99.80206	0.4
101.02465	2.3
113.02498	0.8
115.16883	0.4
117.83229	0.4
119.03477	0.5
125.02500	1.1
141.01714	55.7
142.02080	1.3
161.04692	0.5
175.21112	0.5
183.52794	0.5
229.21078	0.6
235.08321	0.9
253.09178	0.5
256.60056	0.5
279.23291	7.5
361.23633	4.2
367.32074	0.5
397.13541	11.7
397.18414	0.7
398.13947	1.6
415.14798	2.7
419.11765	2.6
437.12994	3.6
677.37677	1.0
699.36298	1.9
819.39233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
58.00584	0.7
59.01389	36.7
60.01718	0.5
69.26815	1.0
69.27241	1.9
71.01391	9.0
72.99310	1.1
73.02954	0.3
76.86506	0.3
83.01392	0.8
85.02965	3.4
87.00861	0.4
89.01933	0.6
89.02455	8.3
89.81207	0.3
93.03457	0.9
95.01396	0.9
95.05032	0.4
96.96026	3.7
101.02450	6.8
105.89149	0.3
108.02188	0.3
113.02465	3.8
119.03506	2.9
119.70147	0.3
129.01888	0.3
133.02928	0.3
135.04562	0.7
137.02467	0.7
138.01979	1.6
143.03520	0.3
147.02841	0.3
147.08121	0.4
161.04590	0.5
163.11313	20.6
164.11597	1.3
173.04526	0.7
179.05673	0.5
191.01944	0.3
191.05655	4.2
192.05916	0.4
207.06650	1.0
207.10222	0.6
209.02994	0.6
353.08786	0.5
387.16638	100.0
388.16977	10.4
766.22656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
61.31505	0.2
61.98835	100.0
63.99258	0.2
69.70998	0.2
70.39283	0.2
70.91025	0.2
71.01396	0.6
71.56091	0.3
78.91901	0.4
78.95922	0.2
79.95744	0.4
80.96527	1.7
93.35933	0.2
96.96021	0.7
101.02388	0.3
112.98593	0.2
141.01765	0.3
211.13510	0.2
225.00783	0.2
253.09392	0.3
265.10706	0.4
277.21802	0.6
291.19824	0.2
293.21286	0.7
309.20850	0.4
387.33176	0.2
469.73044	0.2
483.18924	0.3
555.18744	0.4
731.37604	0.8
821.40729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01377	6.3
61.98837	76.8
62.98528	0.8
67.94797	0.7
68.95221	0.8
69.03462	1.0
71.01380	6.0
71.56664	0.8
73.01643	0.7
73.02956	1.3
74.45435	0.7
78.91882	0.6
78.95975	1.0
78.98598	0.6
79.95732	1.2
80.82113	0.7
80.91702	4.3
80.96523	7.0
81.16016	0.6
82.96091	0.7
85.02956	1.7
87.00907	1.2
89.02457	4.4
94.19678	0.7
94.98109	1.0
96.96020	5.5
97.02948	2.1
97.06559	0.7
101.02457	4.6
111.00125	0.6
111.08183	4.7
113.02441	2.1
119.03500	1.2
137.09734	1.5
161.04597	2.6
165.12842	1.9
169.12381	2.8
171.10277	4.5
177.12721	0.7
179.10696	0.7
179.14410	1.7
195.13905	8.3
197.11842	27.9
198.12166	2.4
199.13419	2.4
209.11797	1.5
211.13422	4.9
223.13403	5.6
225.00722	1.4
227.12868	2.4
235.08170	2.3
247.20680	2.0
253.09320	28.5
254.09689	1.6
256.13199	1.7
263.20206	1.2
265.10629	0.9
265.18158	0.9
265.21561	0.8
267.11578	0.7
273.18643	1.4
275.20224	6.3
277.21634	2.0
286.77661	0.8
286.92490	0.7
291.19711	25.0
292.20117	2.3
293.21255	100.0
294.21576	9.6
309.20746	60.4
310.21088	8.3
331.19662	0.7
545.29907	1.4
585.41583	3.0
586.42291	1.0
668.33502	0.7
731.23511	0.9
731.37213	2.3
821.40778	3.3
822.42310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
61.98840	22.0
67.01900	1.2
69.03465	2.1
69.72270	5.7
71.01381	6.8
72.13116	1.1
72.99308	1.4
73.02959	2.1
75.00880	1.2
75.46510	1.0
78.95926	8.8
81.03478	6.7
83.01402	1.9
83.05031	9.1
83.50935	1.2
85.02956	11.0
87.00882	1.9
88.45874	1.0
88.98805	2.3
89.02461	3.1
93.03477	7.8
94.03830	1.3
94.06643	3.4
95.01379	1.3
96.96024	41.6
96.96956	1.7
97.02956	1.7
100.07681	1.6
101.02484	2.2
102.99729	1.2
106.06630	2.9
107.03786	6.0
108.02187	36.2
109.02988	13.0
111.00903	2.0
113.02448	3.4
116.92858	2.4
119.05019	2.1
121.02979	3.2
122.06133	29.8
123.00870	2.6
123.04514	1.2
123.06512	2.0
124.07665	1.5
125.02438	2.0
133.02937	3.3
134.03761	3.6
134.06137	12.8
135.04556	7.9
136.01619	1.1
137.02473	3.9
139.02780	2.0
145.03004	1.0
149.02452	2.6
150.03244	2.2
150.05690	1.8
151.04004	1.7
152.01176	40.4
152.07188	40.7
153.01973	13.0
153.07555	2.5
160.01677	2.2
161.02402	5.4
161.04594	1.8
162.88681	1.1
163.04016	3.2
165.01875	2.7
165.05635	1.7
165.09184	1.1
171.00671	6.1
173.04565	8.2
177.01956	8.7
179.03502	3.6
181.05064	1.2
190.02666	2.1
191.01991	3.4
191.05629	11.4
192.05988	2.3
193.05144	3.3
195.06725	1.5
199.18039	1.4
205.04979	1.6
209.02884	1.5
213.06711	1.3
215.11929	2.2
219.18037	1.1
225.16011	1.7
227.08385	6.5
229.09851	1.4
237.10280	1.5
239.08292	1.8
239.12067	1.2
241.09824	4.8
243.17111	3.5
253.06158	1.6
253.09743	3.9
255.07756	2.2
255.11525	2.1
257.12994	1.4
265.05930	1.5
265.09802	2.9
267.07782	7.3
267.11066	1.2
279.07776	1.4
279.11346	1.4
281.09250	4.8
282.10040	1.3
283.10956	9.2
293.09341	2.6
295.10870	3.2
309.08798	4.3
309.12241	2.2
315.07208	7.9
321.08905	1.9
329.06631	1.9
353.20969	1.3
418.17783	2.1
430.17603	1.9
446.17056	1.6
469.33682	3.1
474.16708	3.0
597.19910	2.5
665.66925	1.5
695.50726	1.5
746.25940	5.3
759.25043	2.2
790.24701	100.0
791.25079	27.5
822.26837	16.0
823.27460	8.2
823.55420	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	823.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.1
61.98828	59.0
70.82812	30.2
70.83154	11.2
71.01394	35.2
80.96531	24.4
81.03446	14.3
85.02979	23.7
96.96027	52.5
101.02455	16.5
115.93074	13.5
119.04995	28.3
124.28290	12.6
129.40036	12.6
160.54509	12.2
162.26408	12.8
163.04039	16.1
171.10178	17.2
197.11749	17.8
201.11354	31.0
208.56178	14.9
209.11864	100.0
225.11371	15.7
253.09283	30.5
289.18222	19.9
291.19598	19.6
307.19397	17.0
309.20682	58.5
316.83813	14.2
559.65613	14.8
823.41577	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	28.6
61.98834	13.1
67.81226	1.5
69.03463	5.8
71.01389	24.9
71.05035	1.6
71.56299	3.1
72.99326	2.1
73.02950	5.3
78.82773	1.4
78.98592	2.8
79.95755	6.8
80.02677	1.6
80.47521	1.6
80.96526	32.2
82.95434	3.2
83.01418	4.3
83.05015	1.8
85.02962	15.5
87.00887	5.5
89.02451	17.4
89.99061	1.5
94.98100	7.9
95.05039	2.2
96.96030	9.8
97.02995	5.0
97.06599	14.3
101.02448	15.6
113.02481	9.7
119.03477	3.4
123.08188	8.4
125.02480	3.8
125.09742	70.1
126.10085	4.1
127.11309	2.3
134.97620	3.3
137.09729	4.2
141.29628	1.7
143.03540	2.3
152.55170	1.7
152.98637	1.7
161.04584	2.8
164.98640	5.1
167.15746	1.8
167.86601	1.9
171.10286	33.3
172.10652	1.7
179.05661	2.3
183.13991	2.5
187.09789	31.4
195.13889	4.0
197.11871	3.0
201.11266	2.9
209.11829	2.0
211.13412	16.3
221.11827	2.6
225.00742	8.1
229.14467	8.8
235.08206	7.8
239.12941	2.2
253.09311	32.9
254.17657	1.6
255.23315	37.8
255.25954	3.2
256.23700	3.5
275.20294	2.0
277.21750	67.0
277.24832	3.2
278.22141	6.3
291.19772	9.3
293.21301	21.9
295.22812	13.0
309.20743	24.3
310.21259	2.3
311.22314	18.1
327.21793	89.2
328.22153	6.2
397.13501	5.0
414.88904	1.8
545.29413	2.5
563.30865	6.1
585.24524	2.1
587.43036	2.1
713.48328	2.2
733.38354	24.1
733.50024	2.7
734.38971	4.7
805.40155	3.9
823.47058	100.0
824.47528	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	823.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
60.41677	1.0
61.98825	5.3
71.01385	1.0
71.56692	1.3
78.95945	1.0
80.02684	3.4
80.96489	1.4
83.05020	1.1
84.02147	1.3
93.11427	1.2
96.21283	0.9
96.96014	4.3
97.06554	1.6
99.08141	1.1
112.98586	1.2
116.45731	1.1
123.08167	7.8
125.09729	8.8
127.11296	4.6
135.08018	1.1
137.09726	9.2
139.11304	2.6
141.09222	1.3
151.03996	1.3
151.07649	1.3
153.09218	1.7
155.09587	2.0
155.10791	29.3
167.10739	3.8
171.10283	58.6
172.10580	3.1
185.11838	45.9
185.13480	2.3
193.15968	1.4
203.81036	1.0
209.15511	1.4
212.10548	2.7
219.09186	1.3
247.20680	2.3
253.09161	1.4
263.20157	3.9
265.21701	1.8
277.21793	7.7
281.21201	7.8
282.21326	1.2
291.19699	22.6
292.20105	2.5
309.20712	100.0
310.21042	9.3
329.14868	1.1
408.82373	1.2
420.25916	1.2
526.58038	1.0
648.71112	1.0
823.39850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.2
60.83839	0.8
61.98836	4.1
69.00243	0.8
69.03456	2.0
69.41442	3.5
69.41865	3.0
71.01386	11.0
73.02964	3.4
78.98592	2.4
79.95739	6.6
80.96523	28.0
82.95420	2.3
83.01382	1.8
83.05098	1.0
85.02955	10.5
87.00886	3.6
89.02466	4.9
94.98109	6.0
96.96021	9.2
97.02967	2.2
97.06600	2.7
101.02463	8.5
106.98096	1.4
113.02457	3.9
119.03535	1.3
122.97611	1.4
125.02446	1.4
125.09776	1.7
133.05075	1.1
134.97569	1.3
137.09782	1.9
145.05118	1.3
148.99146	2.1
152.98636	2.1
155.10797	1.3
157.71846	0.9
161.04596	3.8
164.98631	4.8
171.10277	20.1
183.13890	5.7
189.93530	0.8
195.13889	1.4
197.11783	1.9
201.23289	0.8
206.99689	1.3
209.11797	1.3
211.13432	9.9
221.11722	1.8
225.00752	8.5
229.14357	3.0
235.08238	15.0
239.12891	1.1
251.16675	1.3
253.09305	27.5
254.09697	1.8
257.94229	0.9
259.20770	0.9
277.21735	100.0
278.22070	9.6
279.23099	1.4
289.09943	0.8
291.19791	6.0
293.21353	5.3
295.22809	3.0
309.20749	14.2
310.20880	1.6
311.22333	3.6
327.21771	74.9
328.22116	6.4
513.30829	1.0
537.95599	0.9
545.29669	2.0
563.30408	2.5
622.93219	0.9
733.25958	1.9
733.38391	23.8
734.38580	5.2
805.40765	2.3
823.41266	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	824.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.6
61.98838	2.0
64.50597	1.1
69.03479	1.6
69.48193	1.2
71.01382	1.3
71.55231	1.4
71.55654	1.3
77.98441	1.0
78.95921	8.9
80.02676	1.6
81.03463	4.7
83.01387	9.0
83.05042	2.6
85.02951	1.7
92.38184	1.0
95.05028	3.6
96.96021	2.2
97.02955	3.9
97.06596	9.4
102.05594	1.1
107.05022	1.3
109.06633	2.3
110.03731	1.2
121.06587	2.0
123.04519	6.6
123.08173	4.4
125.09730	17.6
135.08156	2.8
137.09724	8.4
141.12834	1.5
142.02722	1.7
148.08904	1.1
149.06053	1.7
152.99652	1.5
163.07698	1.7
163.11292	16.8
165.12831	3.9
167.10822	2.3
168.04353	1.8
171.10251	1.3
179.10837	1.4
181.12321	3.7
185.11826	11.9
191.10747	3.4
191.14417	16.0
192.95142	1.1
207.10262	8.7
209.11832	81.2
210.12131	4.3
211.13374	1.4
224.06984	1.3
225.11360	6.7
242.07979	4.2
245.19083	27.5
246.19476	2.5
247.17122	2.0
263.20053	2.0
271.16986	1.9
277.21735	90.7
278.22083	8.1
289.18112	100.0
290.18488	9.7
307.19168	89.5
308.19604	7.9
369.36557	1.0
502.29410	37.5
503.29556	3.9
614.96356	1.5
689.60327	1.2
773.35712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
71.32509	84.5
79.45944	49.9
80.96539	67.7
90.81052	42.2
97.18842	48.1
145.47356	44.2
146.56259	52.3
220.56743	52.0
261.05301	49.4
277.21698	90.2
293.21371	86.8
485.39606	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.0
67.01859	0.9
69.33006	9.0
71.01398	3.2
75.00882	1.0
76.10065	0.9
77.03983	1.1
83.01424	1.1
85.02969	5.0
89.02434	1.7
91.01896	4.8
91.20087	0.9
93.03461	10.1
95.01410	1.1
96.61782	1.0
96.96070	2.1
101.02451	2.2
107.04964	1.3
111.00840	1.1
112.14804	1.0
113.02458	1.8
115.08894	0.9
117.03472	7.7
119.01399	2.8
119.05051	1.7
121.02983	8.9
125.02477	1.2
133.02969	1.5
134.03769	1.2
135.04588	3.2
136.01709	1.0
137.02472	11.5
137.61252	1.0
145.02994	1.0
149.02483	2.0
151.04028	61.8
152.01241	1.1
152.04356	2.6
159.04456	2.2
161.02475	3.5
161.04558	1.6
163.04030	3.6
165.01941	1.9
173.04597	2.7
175.03993	1.5
179.03471	1.8
190.02660	1.0
191.03764	1.6
191.05638	6.5
193.05107	1.6
197.06271	1.3
204.53748	0.9
239.07047	1.3
241.05077	1.9
250.13641	0.9
256.07416	1.1
268.03717	1.8
269.04611	3.0
281.04233	1.9
281.06799	3.2
282.05383	3.1
282.87976	1.0
283.06165	44.8
284.06555	3.4
293.04565	2.6
295.06030	1.8
311.05655	78.2
312.06046	7.4
323.05673	3.7
341.06693	11.0
431.09869	100.0
432.10196	12.7
495.11890	1.1
515.11804	1.1
553.17181	4.3
554.17847	1.6
805.44562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18630	0.6
76.46720	0.7
77.03966	0.7
85.02968	0.8
91.05505	0.9
109.02945	1.5
113.02452	0.7
118.88156	0.8
121.02946	1.7
125.02431	1.3
133.02042	1.2
133.02972	12.7
135.04523	1.3
147.04440	1.1
149.02441	2.2
151.00389	1.0
158.66945	0.6
161.02435	1.1
163.00365	2.4
163.02771	0.7
163.03984	3.6
165.01939	2.5
175.03987	3.0
177.01868	1.0
191.03474	1.9
193.01407	1.9
199.03970	2.0
201.01883	0.9
212.04834	0.7
213.05612	1.5
223.08818	0.6
225.05453	1.0
240.04367	0.8
241.05064	1.1
253.05164	1.6
267.07294	1.7
269.04510	1.3
284.03287	9.0
285.04059	7.7
297.04080	16.4
297.30081	0.7
298.04797	8.9
299.05615	19.4
300.06061	1.3
309.03986	1.1
311.05637	2.5
324.02774	0.9
325.03476	1.0
327.05118	100.0
328.05463	7.5
339.05112	4.3
341.06653	1.1
357.01706	1.4
357.06174	26.2
358.06561	2.0
369.06198	1.8
385.11475	1.0
447.09372	87.8
448.09674	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	833.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.3
61.98827	1.8
62.65617	0.5
67.01893	0.9
68.99813	1.0
71.01397	6.9
71.58524	1.1
72.99316	0.8
73.02949	1.6
76.48985	0.5
79.95726	0.6
83.01397	1.9
84.81790	0.6
85.02966	4.8
87.00883	1.6
88.98824	0.8
89.02461	1.3
89.43531	0.6
90.73116	0.6
93.03466	5.5
95.01392	2.2
96.96037	4.9
99.00851	1.0
101.02444	2.3
107.01417	1.2
108.02167	2.3
109.02950	2.4
111.00892	1.3
111.04493	0.7
113.02442	1.7
119.04996	1.4
121.02975	10.7
122.00080	0.6
123.00904	5.4
123.04510	1.2
124.01682	0.9
125.02444	1.1
127.00341	0.7
129.01921	0.6
133.03027	1.4
134.03723	1.2
135.04529	4.6
136.01643	0.7
136.98827	0.9
137.02457	9.5
138.03232	1.7
139.00363	1.6
139.04024	2.7
145.02942	0.9
147.02954	0.7
147.04491	1.0
149.02429	1.2
150.03329	1.2
151.00391	1.3
151.03973	1.2
152.01186	1.5
153.01913	2.0
153.05617	7.5
155.03520	0.8
161.02423	3.5
162.60718	0.5
163.04034	1.2
164.04836	0.9
165.05594	1.0
166.02718	0.7
166.99889	3.3
167.03497	1.9
168.00613	1.9
169.01350	0.7
173.04602	4.3
175.04025	1.6
177.01929	1.0
177.05486	0.8
177.37163	0.7
179.03592	3.3
181.01477	3.1
181.05051	0.7
182.02255	8.1
183.02982	9.6
190.02711	1.8
191.05647	11.5
192.04298	0.6
192.05954	0.9
193.05016	1.5
196.03709	0.7
197.04570	15.6
198.04852	1.3
200.79285	0.6
202.02594	0.7
203.03487	0.6
205.05093	1.2
211.06065	0.8
223.06111	0.8
225.04042	1.4
226.02722	2.3
227.03477	1.8
242.02286	0.6
243.02945	1.0
251.05605	1.4
270.01727	3.4
271.02530	6.9
281.06650	1.5
285.04059	10.4
286.04636	0.7
299.02011	28.1
300.02493	3.9
311.07684	1.8
313.03580	17.4
313.07242	0.9
314.04327	27.1
315.04791	3.5
326.06430	2.3
327.07645	3.2
328.05890	14.8
328.09695	1.1
329.06662	33.1
330.07028	2.8
341.08673	1.4
343.08298	6.3
371.07547	1.0
407.60141	0.8
461.07144	0.7
467.13461	0.6
491.11923	4.6
521.13739	0.6
630.71246	0.6
671.16138	100.0
672.16467	18.8
833.21747	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	833.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
61.98823	6.4
67.25589	0.6
70.96551	1.3
71.01389	4.3
72.99339	0.9
73.02944	1.5
83.01386	0.8
85.02960	2.5
87.00903	0.8
88.98806	1.7
89.02475	3.0
93.03470	4.0
95.01402	0.9
96.96014	5.0
101.02457	3.3
108.02162	1.2
109.02981	1.2
112.98625	0.6
113.02453	1.9
116.92865	1.2
117.03474	2.0
119.05038	100.0
120.05400	4.0
121.02962	1.2
123.04547	0.7
133.02945	0.6
134.03737	0.7
135.04568	1.2
136.01668	0.7
137.02461	2.4
145.02963	2.4
147.04518	1.1
149.02437	1.2
150.03189	0.8
151.00449	1.3
151.03955	0.7
153.01921	0.9
161.02455	5.4
161.04529	0.8
162.03233	1.7
163.04019	41.8
164.04456	2.0
165.05592	0.9
167.03349	0.6
173.04546	1.2
177.01794	0.6
177.05533	0.7
179.03520	0.9
179.07127	1.1
191.05649	2.4
197.04543	1.2
203.03503	1.8
205.05075	2.1
207.10190	0.9
209.11833	1.8
225.11339	2.8
226.02733	1.4
227.03505	7.0
241.09898	0.8
241.36986	0.6
243.02913	1.3
270.01828	1.2
271.02484	16.5
272.02832	1.1
285.04041	4.3
293.08142	0.7
299.01987	55.1
300.02356	4.1
313.03494	7.2
314.04327	59.9
315.04544	4.8
328.05872	3.9
329.06677	76.7
330.06995	6.2
350.67282	0.6
355.08313	0.9
397.13229	0.6
461.07593	0.7
476.09753	0.7
491.11896	1.1
507.13138	1.2
638.35052	0.6
671.17725	89.6
672.18134	19.0
672.26471	0.4
672.29651	0.7
833.23840	1.1
833.41473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
59.90095	0.3
61.98845	2.7
69.03442	0.4
70.80711	0.3
70.81033	0.7
71.01397	3.8
72.99282	0.5
80.96499	0.3
83.01358	0.9
83.05012	0.3
85.02951	1.5
87.00833	0.7
88.98780	0.7
89.02440	2.1
93.03429	1.0
95.01392	0.4
96.96030	4.2
100.80716	0.3
101.02483	2.0
107.01349	0.4
108.02166	0.7
113.02438	1.3
117.03458	2.7
119.05042	22.7
120.05358	0.9
121.02946	1.0
125.02447	0.7
134.03738	0.6
135.04507	0.9
137.02440	0.9
140.01993	0.3
145.02959	1.7
149.02461	0.5
150.03035	0.3
151.00354	0.8
152.01056	0.4
160.01595	1.0
161.02499	2.3
162.03172	0.7
163.02754	0.6
163.04031	9.7
164.04587	0.6
165.05586	0.6
173.04498	0.8
174.03242	0.5
175.03952	0.5
177.05562	0.5
179.03476	0.4
179.05611	0.4
185.02470	0.7
187.00438	0.4
191.05620	0.8
198.03229	1.4
199.03973	0.6
202.02711	1.6
203.03476	1.2
207.10136	0.5
209.11795	0.7
214.02757	0.6
223.06161	0.3
225.11276	0.7
226.02727	3.9
227.03503	4.2
229.01350	0.5
242.02196	2.2
243.02716	0.6
255.03073	0.6
257.04538	1.0
268.03769	0.4
270.01709	12.1
271.02454	8.0
272.02972	0.6
274.01251	0.8
281.04547	1.9
282.05429	2.4
284.03372	1.2
285.04065	31.3
286.04474	2.3
297.03946	0.6
299.02017	23.7
299.05548	1.3
300.02414	1.8
309.03973	2.2
311.05789	0.6
313.03564	49.9
314.04288	27.5
315.04630	1.8
323.09213	0.8
323.45462	0.4
327.05038	4.2
327.08597	0.6
328.05902	100.0
329.06604	41.4
329.10718	0.8
330.06937	3.1
397.13724	0.5
489.11902	4.0
490.13004	0.4
491.10455	0.4
507.12952	0.4
532.98560	0.4
593.53577	0.4
653.16956	0.8
671.17780	18.1
672.17889	3.7
833.23425	5.2
833.39410	0.9
833.48438	1.2
834.22052	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	833.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98828	1.0
70.03654	1.3
70.50217	0.3
71.01397	1.9
83.01434	0.7
85.02974	1.6
86.03332	0.4
87.00867	0.4
88.98827	1.2
89.02451	1.0
93.03458	2.8
96.96033	2.8
101.02470	1.0
108.02210	0.8
109.03015	0.5
113.02473	0.8
121.02969	3.2
122.03757	7.5
123.00900	0.4
124.01672	1.0
133.02969	1.1
134.03749	0.6
135.04543	1.0
136.01704	0.6
137.02486	1.9
141.00217	0.5
148.01549	0.4
149.02457	10.9
150.03246	45.8
151.00383	0.6
151.03630	1.6
152.01125	0.6
153.02011	0.5
159.04514	0.4
160.01651	0.7
161.02429	1.8
164.04805	1.4
165.05580	33.3
166.05920	1.8
173.04575	1.3
174.03229	0.4
175.04083	0.5
177.01950	0.4
179.03523	0.7
180.04303	2.3
191.05611	4.5
195.06636	14.8
196.06865	0.8
198.03262	0.9
202.02808	0.7
218.05756	0.3
226.02690	1.6
227.03546	1.1
242.02254	1.1
243.02954	5.1
267.06766	0.4
268.03824	0.4
270.01743	5.9
271.02490	12.0
272.02887	1.1
282.05322	0.9
283.06137	1.2
284.03314	0.7
285.04080	13.1
286.04446	0.8
297.04129	0.8
298.04727	0.5
299.02011	28.9
300.02625	4.2
311.05682	1.0
312.02899	0.8
313.03580	19.4
313.06918	0.9
314.04337	30.3
315.04947	6.9
316.05423	0.5
327.05096	1.6
328.02127	0.5
328.05905	6.7
329.06680	65.3
330.03476	0.6
330.07037	6.1
343.04745	0.6
369.06131	0.5
371.07782	0.7
402.06387	0.4
427.10507	0.5
433.09930	0.4
473.11456	0.8
477.11914	7.6
478.11981	1.4
479.13815	0.4
488.02194	0.5
507.12943	1.5
525.14142	5.0
526.14600	0.9
607.13245	0.8
637.17786	100.0
638.18109	15.6
671.18365	0.8
785.22656	1.3
833.24872	5.7
834.25159	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	833.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98830	0.5
69.43632	2.5
71.01386	1.1
85.02962	0.9
88.98825	1.4
89.02448	0.5
93.03459	2.2
96.96030	2.4
101.02460	0.4
103.03974	0.4
109.02966	0.5
111.41035	0.5
121.02982	2.0
122.03757	5.5
123.00914	0.5
126.85378	0.3
127.11800	0.4
133.02974	0.9
135.04517	0.4
136.01677	1.0
137.02472	0.9
142.66347	0.4
149.02441	7.1
150.03242	34.0
151.03566	1.4
160.01656	0.5
161.02484	0.5
164.04767	0.8
165.05580	27.2
166.05867	1.1
173.04532	0.6
180.04332	2.1
191.05717	1.7
195.06645	11.1
195.34311	0.4
196.07156	0.4
198.03224	0.4
200.01035	0.5
202.02695	0.8
214.02742	0.4
226.02731	1.9
227.03456	0.8
242.02254	0.9
242.76930	0.4
243.00703	0.6
243.02988	4.6
244.03442	0.6
270.01660	5.3
271.02466	11.4
272.02786	0.7
282.05234	0.4
283.06064	0.4
284.03195	0.6
285.04083	12.1
286.04443	1.0
290.42337	0.4
297.03952	0.5
299.01993	23.9
300.02618	3.4
309.03857	0.4
311.05759	0.5
313.03571	18.7
313.06894	0.7
314.04337	26.1
315.04941	6.1
316.05188	0.5
327.05096	1.4
328.05887	5.9
329.06674	54.5
330.07034	5.5
343.04315	0.5
369.06021	0.6
371.08008	0.6
438.76154	0.5
450.39203	0.5
473.11606	0.5
477.11676	3.2
478.12039	0.5
507.12640	1.8
525.13947	1.3
607.12201	0.5
637.17773	100.0
638.18097	16.9
638.28839	0.7
785.22876	0.4
791.41254	0.4
833.25525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30633	0.3
59.01384	15.4
61.98828	1.1
71.01381	1.7
71.17771	0.8
73.02953	0.5
79.95738	0.6
80.96520	1.1
81.05882	0.4
89.02459	0.8
93.82167	0.4
101.02453	1.1
101.36933	0.4
103.87175	0.4
112.34106	0.4
161.04623	0.5
193.71237	0.5
228.12515	0.4
235.08298	1.4
253.09290	4.4
277.21732	100.0
278.22073	9.2
508.56186	0.4
513.30408	0.6
699.06995	0.5
833.49731	0.8
834.51813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
60.15988	1.5
61.98838	11.8
63.37854	1.4
64.05315	1.6
68.99557	2.1
69.17167	1.4
71.01392	7.6
71.15723	3.3
72.99300	1.8
78.95889	1.7
83.01408	1.8
85.02945	4.2
89.02440	2.5
93.03462	2.8
96.96028	14.6
101.02427	4.7
106.46008	1.5
107.01362	1.7
111.00898	1.9
119.05019	5.2
121.02913	1.8
127.41933	1.5
134.03720	2.4
137.02426	3.3
139.09491	1.6
149.02415	1.5
151.00328	3.7
163.04021	4.4
171.10294	2.0
173.04579	3.2
191.05614	3.8
203.03561	2.0
205.05191	1.6
209.11789	6.2
227.03474	3.5
252.41028	1.6
267.03006	5.6
270.01569	2.1
271.02466	4.2
284.03171	2.5
285.03970	6.9
295.02383	7.1
296.03235	2.9
299.02060	15.7
299.05380	2.5
300.02661	7.4
308.03226	2.0
313.03543	7.5
314.04349	10.5
315.04852	2.5
323.01944	7.9
324.02805	24.0
325.03464	7.3
327.28943	1.9
329.06693	9.5
338.04013	7.8
339.05069	20.2
346.04709	2.9
353.02951	2.0
374.04196	2.1
387.05133	2.3
389.02838	2.3
401.03098	3.4
428.05103	2.2
430.03052	3.4
445.05716	6.4
446.05817	1.9
459.07254	2.2
460.07834	2.4
789.15662	2.1
820.15967	2.6
835.18842	100.0
835.44208	4.7
836.19159	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	835.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.6
65.00332	0.4
69.44646	2.3
71.01402	1.6
73.02933	0.8
77.04011	0.3
77.32287	0.3
83.01379	0.5
85.02947	1.3
89.02444	0.8
91.99539	0.3
93.03464	0.6
96.95992	0.6
101.02412	0.9
104.13718	0.3
105.03491	0.6
107.01389	0.5
108.02176	0.4
109.02949	1.9
113.02451	0.6
117.03416	0.4
119.03514	0.5
119.05006	0.7
121.02944	1.2
123.00901	0.4
125.02415	1.0
133.02963	8.8
134.03749	0.8
135.04565	1.4
137.02435	0.9
145.02945	0.4
147.04506	0.7
149.02412	1.3
149.04706	0.3
151.00360	0.5
151.03960	0.4
161.02470	1.0
163.00432	1.8
163.04004	2.6
165.01929	1.4
165.05597	0.3
173.02382	0.3
173.04546	0.9
173.05992	0.4
173.80571	0.3
175.04016	2.5
177.01917	0.9
179.03464	0.4
189.01915	0.5
190.02701	0.3
191.01991	0.4
191.03526	1.5
191.05626	2.4
193.01418	1.1
193.05165	0.4
198.03325	0.3
199.03958	1.2
201.01907	0.9
203.03537	0.6
212.04788	0.5
213.05569	0.9
217.05014	0.5
225.05617	0.7
226.02747	0.3
226.06128	0.3
227.03413	0.6
229.05078	0.4
240.04308	0.6
241.05008	0.7
243.03111	0.3
252.04227	0.4
253.05118	1.0
255.02951	0.6
255.06728	0.7
256.03583	0.4
257.04453	0.6
268.20865	0.3
269.04514	1.0
270.05151	0.4
271.06253	0.4
281.04639	0.5
284.03278	6.3
285.04059	5.4
286.04404	0.7
297.04086	12.7
298.04758	8.1
299.05618	14.2
300.05905	1.3
309.04147	1.2
311.05658	1.9
324.02838	1.0
325.03540	0.4
325.07025	0.3
327.05112	77.8
328.05469	7.6
339.05103	2.8
341.06418	0.5
351.05179	0.3
353.06689	0.5
357.06174	16.5
358.06412	2.1
363.05145	0.6
369.06204	1.1
373.18591	1.3
381.06339	2.4
382.06326	0.4
399.07086	0.4
417.08295	100.0
418.08618	11.7
567.67957	0.3
572.98590	0.4
779.28058	0.3
814.31628	0.3
835.27435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98535	0.2
71.01411	0.1
71.35662	0.1
71.36008	0.2
77.48985	0.1
78.95942	0.2
79.95748	0.3
80.96522	1.2
93.93538	0.1
94.98142	0.1
148.99298	0.1
164.98676	0.3
201.51067	0.1
277.21906	0.2
278.22217	0.3
279.22540	0.1
717.05396	0.1
724.35791	0.1
734.22443	0.1
837.48047	1.1
845.46246	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	839.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
65.00328	0.4
71.01377	1.2
71.56588	0.6
77.03950	0.6
78.95918	1.5
79.01915	0.7
79.95751	2.1
81.03437	0.6
83.01407	0.5
85.02962	1.5
86.29242	0.4
89.02491	0.4
93.03459	2.4
94.03802	0.3
96.96020	56.8
97.02977	0.7
97.22427	0.4
99.04536	0.9
101.02481	0.7
105.03448	0.7
107.01398	0.7
108.02183	0.5
109.02988	2.5
119.05016	0.8
121.02961	1.6
123.04498	0.5
125.02468	1.0
129.01944	0.5
133.02966	11.4
134.03526	0.8
135.04532	2.6
137.02466	2.8
138.02788	0.5
147.04524	1.4
149.02475	1.4
151.00423	0.4
151.04027	1.0
155.92822	0.4
157.02933	0.5
160.01736	0.3
161.02441	0.9
163.00365	1.6
163.04022	3.5
165.01949	1.7
171.04478	0.5
173.02470	0.7
173.04591	1.3
175.04033	3.6
177.01949	1.4
179.03583	1.1
191.01997	0.7
191.03539	1.5
191.05623	3.2
193.01450	1.8
193.05043	0.5
199.03983	0.9
199.07657	0.4
201.01997	1.3
211.04024	0.8
211.07605	0.5
212.04716	0.5
213.05649	1.0
215.03455	0.6
217.05148	0.4
225.05620	1.1
227.07234	0.6
240.04318	0.9
241.05205	0.6
253.04984	1.2
255.02925	0.7
255.06783	0.7
256.03809	0.6
267.07117	0.4
269.04507	1.1
271.06119	0.5
281.04544	1.0
284.03256	9.9
285.04022	7.2
286.04172	0.8
297.04071	14.8
298.04764	8.9
299.05612	17.6
300.05814	1.4
309.04117	1.1
311.05576	2.8
312.06213	0.4
324.02771	0.7
325.03561	1.4
327.05103	100.0
328.05466	10.9
329.05652	2.4
331.06113	0.5
339.05127	2.9
341.06735	0.8
357.06174	26.4
358.06378	2.9
359.06561	0.5
369.06076	2.7
383.07394	0.8
387.09113	0.6
393.06165	1.2
447.09341	95.6
448.09662	12.7
449.10126	2.5
450.10022	1.1
451.10455	0.7
509.40845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40752	44.6
61.98829	84.9
64.42349	43.1
71.45047	100.0
79.16328	36.3
90.77122	43.4
116.92860	73.7
196.80005	46.8
251.20110	47.7
277.21851	57.8
307.19171	51.7
314.25583	47.9
380.06842	43.0
839.48553	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	30.0
65.32864	16.8
75.43074	16.9
80.96526	37.3
81.16289	17.8
96.96037	32.4
98.42840	19.0
130.55386	18.8
225.40843	22.2
277.21722	100.0
289.18124	52.4
321.22205	18.1
357.67886	20.9
615.32977	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	841.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.1
67.01918	1.3
69.03446	1.4
70.68346	3.6
70.68730	2.3
71.01389	12.6
72.99295	1.7
73.02936	3.0
75.17545	1.2
81.03470	1.7
83.05024	1.6
85.02957	25.8
87.00904	4.6
89.02450	5.0
93.03471	16.9
95.01342	1.4
96.96013	10.8
99.00907	2.1
101.02454	5.7
101.88116	1.3
107.69329	1.7
108.02208	1.9
109.02991	4.3
111.00894	3.2
111.04531	5.4
113.02454	5.1
119.03511	1.5
120.48226	1.5
121.02957	4.3
121.05099	1.7
125.02398	1.3
127.04041	4.0
133.02951	3.6
134.03760	3.4
135.04530	4.8
137.02492	4.1
140.60994	1.4
146.03772	2.8
146.45164	1.2
151.03958	1.5
151.43979	1.5
153.05545	2.4
155.03474	3.5
157.08676	1.8
159.04507	8.5
161.02460	3.0
173.04547	18.4
175.03964	1.5
177.01935	1.7
178.02711	1.3
179.03474	3.0
185.02507	2.2
186.03273	1.5
191.05624	100.0
191.76289	1.1
192.05942	2.1
193.05107	2.6
198.25659	1.3
203.03490	1.5
209.03082	1.9
225.05440	1.7
237.05563	2.4
241.05101	1.4
249.05930	2.6
250.06267	1.8
251.03575	1.6
253.05112	5.6
263.03537	6.6
264.04214	4.4
265.05060	5.9
266.05743	2.5
267.02594	1.6
267.06747	2.7
274.08536	1.3
279.02817	1.7
280.03680	2.0
281.04596	16.5
282.05304	3.7
283.06226	2.4
287.09000	1.5
291.03091	2.7
292.03775	3.2
293.04578	11.7
294.05225	3.1
295.06183	2.4
296.06876	9.6
297.07309	1.8
298.08710	3.2
306.05228	1.8
307.02463	2.2
307.05975	3.0
308.03275	12.4
308.06805	3.5
309.03989	9.9
309.07614	3.2
311.09399	6.8
313.10910	3.7
323.05658	18.3
324.06323	16.6
325.06631	2.0
338.08026	4.1
339.08734	61.7
340.09021	6.3
353.06625	2.8
365.06744	2.1
368.05389	3.9
371.09821	2.7
383.07733	22.0
407.15298	6.1
408.15982	5.9
548.52246	1.5
557.13263	6.4
605.18768	3.9
623.19952	16.3
624.20728	2.6
649.17719	33.3
650.18268	5.7
667.18982	31.2
668.18683	3.5
841.23920	32.0
842.24139	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	841.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	8.2
69.98378	21.3
70.64253	3.8
71.01396	10.4
78.98621	6.0
79.95767	16.7
80.96533	100.0
84.33495	4.2
94.97538	4.5
94.98096	16.3
98.19830	5.6
101.74793	4.7
106.98125	5.7
122.97562	5.4
125.02491	5.7
127.69013	5.1
152.98628	5.5
153.43433	5.2
164.98650	13.2
206.99829	4.6
225.00854	13.0
327.65942	5.0
740.40399	5.0
841.51520	91.9
842.51288	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	843.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01714	1.2
61.98838	2.6
66.59210	0.7
69.24901	5.0
69.25309	1.6
71.01395	16.4
72.99334	1.6
73.02957	11.0
78.05239	0.7
80.07089	0.7
81.03500	1.3
82.95396	0.9
83.01389	4.1
85.02966	9.7
87.00900	2.0
89.02454	6.3
92.50561	0.7
93.03486	2.6
95.01439	1.6
96.96043	6.1
99.00904	2.1
101.02457	15.9
105.69962	0.7
108.02218	1.0
109.02988	1.6
111.00887	1.3
113.02470	8.5
116.92905	0.7
117.05643	0.7
119.03547	2.0
119.05056	0.9
120.99709	0.8
123.04592	0.8
125.02520	1.1
128.90381	0.7
129.01958	1.0
131.03526	0.8
133.02979	1.9
134.03760	1.4
135.04553	4.6
137.02493	1.6
143.03551	1.0
149.02480	1.5
149.04576	1.5
150.03290	1.4
152.01245	1.4
161.02513	1.8
161.04568	4.9
165.01959	1.6
165.05624	1.4
167.03502	0.8
173.04570	3.7
177.01947	1.1
179.03555	2.9
179.05676	0.7
190.02769	2.4
191.02010	1.0
191.05673	5.9
193.05069	1.3
195.06665	2.6
205.05118	2.1
223.06331	1.0
225.07671	0.9
225.15056	2.7
369.19202	18.6
369.23578	1.2
370.19559	2.1
387.20251	11.8
388.20801	0.9
408.70688	0.7
429.21286	18.7
430.21899	2.4
550.19318	0.8
595.27527	0.9
651.54077	0.8
807.28241	1.0
843.27863	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	843.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	23.3
61.98830	47.3
71.01398	21.5
71.56441	15.7
73.51557	10.9
82.87292	10.5
89.02449	13.6
104.04176	9.8
110.98497	9.6
116.92863	28.6
125.02396	13.8
156.14809	10.9
171.10301	100.0
175.48714	9.6
252.11128	11.5
255.23392	50.5
260.59827	11.1
277.21667	20.0
379.11969	11.6
397.13522	47.8
658.35876	10.2
785.46075	13.1
843.44720	58.1
844.46710	15.7
877.58960	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	845.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.7
71.01387	3.8
71.01783	1.5
73.02954	0.8
77.03978	2.4
79.01907	0.8
81.03467	0.9
83.01405	1.0
85.02960	3.1
86.08077	0.6
89.02418	0.7
93.03451	3.1
96.96033	3.2
99.04527	35.9
100.04855	1.1
101.02452	9.6
105.03497	1.1
107.01328	0.7
113.02434	1.6
113.95683	0.7
117.03486	9.1
119.05021	0.8
121.02970	2.8
125.02457	20.7
126.02853	0.6
133.02986	0.9
135.04539	2.8
140.57396	0.5
143.03525	3.4
147.04584	0.9
149.02434	2.0
159.03224	0.5
159.04546	2.1
161.02452	4.5
161.04503	1.7
163.04045	4.1
165.01884	0.8
166.20523	0.6
173.02333	0.8
175.04073	0.8
179.03532	1.1
182.03569	0.5
188.11115	0.6
191.03616	1.2
191.05498	1.2
197.06235	0.8
203.03499	0.9
211.07664	0.6
224.04747	1.0
239.07141	1.7
243.06529	0.9
268.03741	2.2
269.04532	2.6
269.10229	3.4
269.30365	0.5
281.04575	2.5
282.05307	1.7
283.06131	51.1
284.06381	3.1
293.04590	1.9
295.06195	1.2
309.04141	0.8
311.05637	83.5
311.10913	7.4
312.05975	6.8
314.04202	0.7
323.05634	3.5
341.06699	8.0
351.14548	0.9
353.07010	0.8
413.14603	12.0
414.14920	1.7
431.09845	100.0
432.10223	10.8
637.00848	0.6
676.46942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.8
61.98829	5.7
69.03463	1.6
71.01386	12.9
72.99313	1.6
73.02978	1.5
78.95930	1.2
81.43366	1.3
83.01385	1.8
85.02957	4.5
87.00865	3.6
89.02458	8.8
95.05031	1.3
96.96037	2.2
97.02977	2.5
97.06606	12.1
99.00854	1.9
101.02451	11.7
113.02440	2.8
119.03484	1.7
123.08174	6.2
125.02438	2.7
125.09738	71.8
126.10076	3.1
163.04008	1.9
169.08678	1.8
187.09770	31.7
188.10094	1.6
189.30144	1.3
191.05602	2.2
201.91429	1.2
221.06718	1.6
235.08228	1.8
247.00323	1.3
277.21716	30.0
278.22153	1.7
397.13327	4.1
567.23242	2.3
585.24127	2.3
845.45416	100.0
846.45825	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	845.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.9
61.98835	100.0
66.82959	0.9
69.03471	1.7
71.01390	9.6
71.56039	1.5
72.99294	1.4
73.02951	1.6
74.02444	0.8
76.39090	0.8
80.04920	0.7
85.02934	3.8
87.00858	2.2
89.02449	6.8
90.76404	0.7
95.05083	0.9
96.96012	1.0
97.02928	1.6
97.06602	10.4
101.02449	5.7
113.02462	2.8
117.40553	0.7
119.03529	1.4
123.08188	5.3
125.02430	1.9
125.09740	72.8
126.10046	3.3
143.10870	1.0
161.04570	1.2
169.08601	0.9
187.09778	46.1
188.10077	1.8
197.03911	0.7
209.11774	0.8
213.38153	0.8
221.06653	2.9
235.08240	1.2
277.21735	7.8
278.22162	1.3
397.13422	1.6
524.03894	0.9
567.23029	1.1
585.24146	6.0
586.24121	0.8
603.29584	0.9
686.03406	1.0
782.51788	4.5
783.52002	1.3
845.45380	72.0
846.45819	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
63.06401	0.2
67.09745	0.2
77.87960	0.2
88.98808	0.2
96.96001	0.3
101.76910	0.2
129.10359	0.4
149.24016	0.2
158.26845	0.2
173.75371	0.2
187.72563	0.2
207.15071	0.4
226.91368	0.2
277.21979	0.3
507.79471	0.2
554.94922	0.3
705.51160	0.3
763.99646	0.2
782.52002	4.7
783.51874	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	847.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
63.35843	0.5
63.96242	2.3
64.50922	0.5
69.03449	0.5
70.86743	0.5
70.87071	0.8
71.01388	9.2
72.99306	0.6
73.02958	2.2
78.98601	7.9
79.95741	19.5
80.96525	100.0
81.03455	0.6
82.96106	1.5
85.02956	4.2
87.00897	3.3
94.63248	0.4
94.98098	21.5
95.01398	0.5
96.96017	1.5
97.02953	2.5
99.00916	0.7
101.02467	2.7
106.98112	3.6
113.02457	0.5
122.97615	5.2
125.02457	3.4
127.04020	0.7
134.97610	7.1
136.99127	1.8
148.99138	7.5
152.98645	6.5
161.04633	0.6
164.18561	0.5
164.97310	0.9
164.98634	13.7
166.37415	0.5
206.99680	2.2
218.32597	0.5
225.00761	19.5
226.01114	1.3
255.23257	1.8
283.04724	0.5
289.57007	0.4
302.77490	0.5
402.86166	0.4
457.80814	0.5
471.77716	0.5
537.27496	1.3
591.24652	1.8
847.48804	97.2
848.49194	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	847.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.2
60.95382	1.4
61.98825	5.1
63.96234	1.8
65.75919	1.7
71.01391	9.6
71.18049	2.0
71.18442	2.4
78.98616	8.3
79.95745	22.3
80.96527	89.1
85.02934	4.6
87.00864	3.4
94.98089	18.4
96.96008	2.4
97.02941	2.4
101.02423	1.9
106.98087	4.3
110.47082	1.5
110.79510	1.8
113.25983	1.5
122.97560	4.9
125.02451	1.8
134.97617	7.3
136.99126	1.9
148.99124	6.6
152.98676	6.9
164.98660	14.2
169.61392	1.5
180.64922	1.5
206.99689	2.7
211.99129	1.7
225.00735	18.0
255.23407	2.5
286.20117	1.7
500.14517	1.6
828.92065	2.1
847.48749	100.0
848.49048	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	849.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.0
60.99305	0.5
66.04168	0.6
70.48314	0.6
71.01389	35.5
72.01745	0.8
72.99320	3.4
73.02941	1.4
75.00847	0.7
83.01400	2.0
85.02959	7.4
87.00883	2.6
88.98804	0.6
89.02450	36.7
93.03471	1.7
95.01375	3.7
96.96022	2.4
99.00868	1.0
101.02452	12.3
107.01405	0.7
109.02930	1.0
111.00906	0.7
113.02453	13.3
119.03509	10.4
121.02934	0.9
122.06079	0.8
123.00880	1.4
123.04554	0.6
124.01712	0.9
125.02441	1.9
131.03529	1.2
133.03012	0.7
134.03755	0.7
135.04518	0.9
136.01624	0.7
137.02438	1.0
143.03523	1.8
149.02414	4.6
149.04576	1.1
149.99576	2.0
151.00407	2.4
152.01112	0.9
152.07140	1.7
160.01697	0.7
161.02403	0.7
161.04546	3.4
164.04868	0.6
165.01987	0.6
167.03522	1.3
168.00653	2.4
173.04608	0.7
173.82391	0.6
175.03992	0.8
178.04782	1.5
179.03564	0.6
179.05624	6.1
190.02769	1.3
191.05606	4.0
195.06648	1.0
198.03300	0.8
205.05058	1.0
226.02769	3.6
227.03429	1.3
242.02248	2.0
243.03156	1.3
255.02826	0.9
256.03653	1.0
270.01694	9.6
271.02484	3.8
281.04666	1.4
282.05353	2.1
283.03412	0.7
283.06137	4.1
284.03400	1.1
285.04062	24.1
286.04407	1.2
296.03302	0.7
297.04062	1.2
298.04855	1.7
299.02017	8.3
299.05341	1.0
300.02692	3.7
309.04068	1.9
311.02332	0.9
311.05585	8.2
312.02560	0.8
312.06027	1.4
313.03577	46.5
313.07034	3.8
314.04227	12.6
315.05014	1.9
327.01651	1.0
327.05139	4.6
328.05890	100.0
329.06567	31.0
330.06989	1.9
357.06110	1.8
367.10303	1.0
419.08093	0.8
430.06540	0.8
433.09256	2.2
461.07486	1.4
462.08932	0.9
476.09491	2.8
477.11935	48.8
478.12213	5.3
481.13733	1.0
490.11176	1.1
491.11951	23.4
492.12323	1.9
507.12973	47.9
508.13293	6.2
525.14050	0.9
669.18787	1.3
849.20215	1.4
849.34705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	9.4
63.02401	2.4
65.00327	9.0
67.01891	1.4
71.01401	4.9
71.20982	1.9
73.02942	1.1
79.95766	1.0
80.96535	1.2
82.95444	0.9
83.01393	5.3
85.02953	1.4
89.02458	3.2
93.03514	1.1
96.96028	9.1
101.02473	3.0
107.01398	10.5
107.05053	1.3
109.02912	1.7
109.06601	2.0
113.02477	1.7
113.97075	1.0
119.03496	1.3
119.05019	1.2
121.02965	1.3
135.04504	0.9
136.01649	4.1
137.02469	10.7
149.02484	1.5
151.00388	22.3
151.03992	2.6
161.02466	10.1
161.04546	1.1
164.01155	3.4
164.04741	1.5
165.01942	14.7
173.04549	0.9
179.03511	16.6
179.05841	1.3
180.04008	1.8
183.04567	1.1
184.01373	1.0
185.02428	1.7
191.05701	1.2
199.04080	1.4
203.03491	3.1
207.10277	2.3
211.13367	2.7
222.23871	1.0
226.02837	1.0
227.03494	12.1
229.01385	1.8
242.02266	1.5
243.02983	3.0
255.02924	2.4
270.01764	3.7
271.02487	24.1
272.02850	3.3
283.02689	1.9
283.06122	2.9
284.03323	2.0
285.04056	7.6
297.04068	1.9
298.04825	2.4
299.02002	64.9
299.05212	2.4
300.02502	6.9
312.02545	1.0
313.03561	12.2
313.07233	3.0
313.98834	1.4
314.04340	60.5
315.04660	5.7
329.06686	100.0
330.07162	6.8
331.05823	1.2
347.05515	1.5
359.05661	4.4
374.04187	1.7
375.05200	6.9
387.05167	6.1
389.06610	1.3
397.13431	1.4
398.04150	1.5
400.06296	1.6
402.07367	1.2
403.04550	9.5
404.05173	1.4
414.03918	3.9
415.04437	5.1
416.05499	1.7
417.05862	1.9
418.06784	2.8
429.06033	1.3
431.03842	16.0
432.04486	1.5
445.05420	1.7
446.06461	16.0
447.07156	6.5
461.08810	81.9
462.09299	7.5
476.94156	1.3
478.09085	4.2
491.09912	5.6
492.10272	1.3
493.11469	53.6
494.11655	6.4
505.11508	1.4
509.25113	1.1
523.12494	60.3
524.12677	8.5
805.17786	3.4
853.19879	47.3
853.44452	1.9
854.20148	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84285	0.3
60.99316	0.7
67.01897	4.3
69.03450	0.9
69.79050	1.6
71.01387	3.4
72.99295	0.3
81.03466	1.0
83.05019	0.9
85.02966	2.5
87.00879	1.3
89.03958	0.4
93.03466	27.8
94.03792	0.7
96.96017	1.2
98.19952	0.3
100.32032	0.3
109.02944	1.1
111.00898	1.1
111.04528	4.2
112.94952	0.3
113.02467	0.6
117.03483	1.8
121.02997	0.5
125.02458	0.3
126.56663	0.3
127.04032	0.4
129.01945	0.5
130.27736	0.3
134.03755	16.6
135.04123	0.5
137.02466	4.8
149.06113	1.5
155.03497	4.0
173.04561	100.0
174.04872	3.9
177.01892	0.3
190.02782	0.5
191.01930	0.5
191.05626	9.5
192.05939	0.4
193.05064	14.4
194.05399	0.8
295.94821	0.4
360.52316	0.4
367.10358	29.2
368.10571	2.8
371.09689	0.7
385.08551	0.6
550.23181	0.4
712.92511	0.4
857.27399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84285	0.3
60.99316	0.7
67.01897	4.3
69.03450	0.9
69.79050	1.6
71.01387	3.4
72.99295	0.3
81.03466	1.0
83.05019	0.9
85.02966	2.5
87.00879	1.3
89.03958	0.4
93.03466	27.8
94.03792	0.7
96.96017	1.2
98.19952	0.3
100.32032	0.3
109.02944	1.1
111.00898	1.1
111.04528	4.2
112.94952	0.3
113.02467	0.6
117.03483	1.8
121.02997	0.5
125.02458	0.3
126.56663	0.3
127.04032	0.4
129.01945	0.5
130.27736	0.3
134.03755	16.6
135.04123	0.5
137.02466	4.8
149.06113	1.5
155.03497	4.0
173.04561	100.0
174.04872	3.9
177.01892	0.3
190.02782	0.5
191.01930	0.5
191.05626	9.5
192.05939	0.4
193.05064	14.4
194.05399	0.8
295.94821	0.4
360.52316	0.4
367.10358	29.2
368.10571	2.8
371.09689	0.7
385.08551	0.6
550.23181	0.4
712.92511	0.4
857.27399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	7.7
71.01397	16.9
73.02967	3.3
73.60596	2.7
78.95914	2.4
85.02975	4.0
87.00916	3.5
89.02432	13.2
96.96017	24.2
97.84061	1.9
98.19759	3.8
98.95599	7.6
99.00914	2.4
101.02455	12.2
111.53554	2.3
113.02466	7.0
116.92878	27.5
119.03541	2.7
125.02466	7.2
179.05632	3.2
181.12326	7.8
197.11827	2.9
199.13416	100.0
200.13765	3.6
221.06720	2.5
235.02222	2.7
235.08298	4.2
270.24200	2.2
277.21741	53.6
278.22281	4.9
287.07364	2.5
293.21283	6.8
309.20740	6.5
330.85431	2.5
379.12598	4.4
397.13596	35.7
398.14041	2.8
415.14771	11.4
459.34909	3.4
853.65900	2.5
857.48730	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	859.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	29.4
71.01066	2.6
71.01393	32.2
71.56096	2.1
72.99307	3.5
73.02954	15.1
75.00915	3.5
79.95763	2.2
83.01376	6.0
85.02967	14.6
88.98820	2.6
89.02446	14.9
89.55661	2.4
93.03458	8.5
95.01379	5.0
96.96015	53.9
97.02973	4.7
99.00880	3.0
101.02436	18.7
108.02177	5.5
109.02955	3.6
113.02469	13.5
116.92852	6.0
119.03521	4.2
119.05047	8.0
121.02961	3.7
123.00899	2.2
123.04496	3.6
124.01606	2.9
125.02462	6.6
127.00388	2.3
133.02928	2.8
134.03743	5.3
135.04468	3.8
136.01671	3.4
137.02486	10.7
143.03416	3.0
145.03029	4.0
149.02405	2.4
151.07594	3.0
152.01155	4.2
153.09201	7.8
159.04539	2.4
159.86052	2.1
160.01627	2.8
161.02480	3.1
161.04549	4.4
163.04034	5.9
164.04819	3.1
165.05525	3.3
173.04530	3.1
175.03990	2.7
179.03519	3.8
180.04236	2.3
190.02774	3.5
191.05574	8.4
193.05025	3.4
200.01170	24.0
205.12236	4.8
209.06088	6.4
209.11859	3.5
211.03894	2.2
213.05437	3.2
219.04361	4.6
221.06146	4.1
228.00650	58.8
229.01434	37.4
235.04146	3.8
236.04778	8.5
237.05585	23.0
238.06221	4.9
240.04178	4.9
243.03000	100.0
244.03255	7.0
247.04295	2.6
248.04961	3.1
251.07135	4.8
252.07832	8.2
253.05013	6.0
255.06541	5.5
264.04312	15.2
265.05075	36.3
266.05710	8.6
267.06628	5.1
268.03772	4.6
269.04709	3.5
269.08209	10.0
278.05670	3.1
279.06586	13.9
280.04434	3.7
280.07349	24.6
281.04767	4.6
281.08057	9.5
282.05508	3.3
282.08765	3.2
283.06137	26.6
292.03763	5.8
293.04489	8.2
295.02588	2.6
295.06543	2.8
295.09723	23.8
296.06888	8.6
297.04523	3.0
297.07721	16.0
306.05310	9.0
307.02652	3.4
307.06021	10.1
308.03275	3.0
308.06876	6.2
309.04163	5.2
311.05704	3.7
316.07697	3.0
322.04764	3.3
323.05673	4.1
323.09244	8.6
324.06461	14.3
325.06927	3.1
334.04758	4.1
335.05667	3.2
336.02814	2.6
339.08838	21.6
341.10196	6.5
349.02966	3.3
349.07159	45.3
350.07617	4.7
351.04977	9.8
352.05862	6.5
365.06641	9.4
366.07315	11.9
367.08231	51.4
368.08649	3.1
385.18280	3.0
402.04263	2.4
437.18225	11.7
452.10977	2.6
453.17532	13.8
454.18021	3.0
467.13242	2.4
483.13153	2.6
495.19092	4.5
509.14590	2.9
525.13281	4.1
525.20697	2.6
553.13184	3.3
671.19763	2.8
731.21533	4.7
747.21240	3.1
757.19653	4.7
758.20972	2.9
773.22986	4.4
775.20532	6.0
799.20929	11.6
800.20844	3.2
817.22339	21.6
818.23267	3.9
859.22937	96.0
859.35522	3.8
860.23096	27.6
881.88367	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	859.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	41.6
70.12624	17.7
70.13015	21.8
71.01390	23.8
89.02451	23.2
101.02453	20.3
103.00380	8.6
113.02461	9.9
116.92884	29.8
118.70914	8.6
134.89600	8.5
173.76617	9.1
197.54083	7.6
199.13403	100.0
231.35292	8.7
235.08260	25.5
253.09431	38.6
277.21722	96.6
279.23260	68.2
309.20804	22.8
327.21826	73.8
328.22275	12.4
361.34778	9.6
379.12076	10.4
397.13596	43.4
415.14746	14.3
502.60495	9.4
563.30792	12.4
823.52112	10.1
859.49915	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	861.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75301	0.6
61.98817	1.3
63.18859	0.6
71.01381	2.9
71.33115	1.7
71.33527	0.8
73.02962	0.7
78.95910	1.0
85.02936	3.8
87.00892	1.0
89.02478	0.9
91.01881	1.3
93.03465	5.3
96.96009	4.0
101.02435	1.3
105.03465	0.9
106.72274	0.7
108.02183	1.0
111.04588	0.7
121.02951	1.6
123.00874	0.7
133.02994	2.5
134.03770	3.9
135.04543	0.8
137.02457	5.7
147.04497	1.3
149.02489	1.7
151.04021	9.5
161.02477	1.5
163.00334	1.4
165.01949	1.5
173.04546	2.6
179.03488	2.4
191.02000	1.7
191.03554	1.2
191.05672	3.2
193.05054	1.5
205.05095	1.0
235.84096	0.8
247.13304	0.6
255.03009	0.9
269.04556	1.2
270.05228	1.5
281.06671	1.6
284.03348	1.1
296.03088	1.1
297.04089	9.5
298.04840	59.4
299.01999	1.2
299.05249	5.6
309.04169	1.7
313.03745	1.5
313.07178	10.5
314.07547	0.8
326.04300	3.7
329.06635	1.3
341.06683	78.2
342.07077	7.1
353.06723	0.9
371.07718	3.0
434.59656	0.7
461.10916	100.0
462.11234	10.0
699.18225	1.8
861.33307	0.7
894.96973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	0.5
65.10601	0.3
69.51291	0.7
69.51705	1.2
71.01382	0.7
73.02950	0.9
83.01414	0.2
98.19933	0.6
101.02460	0.7
104.02685	0.6
112.76806	0.3
113.02510	0.3
117.03494	0.9
125.02467	0.6
132.02185	33.1
133.02876	2.1
134.03749	12.7
135.04599	0.4
137.02441	0.6
147.04541	0.3
149.06111	1.6
149.10945	0.3
160.01674	100.0
161.02290	6.8
162.02919	0.3
170.69377	0.3
175.04018	96.2
176.04358	4.3
177.05725	0.3
178.02742	1.5
179.03458	0.7
187.07574	0.3
193.05078	9.5
194.05319	0.4
196.40622	0.3
217.05254	0.4
259.06134	0.4
265.06989	0.5
289.07227	0.4
319.08182	0.8
361.09363	1.3
379.10095	0.5
555.15332	0.6
583.16693	0.6
597.03912	0.3
601.17578	1.0
625.17932	2.0
626.18579	0.4
643.18640	2.5
667.19604	1.3
685.19550	2.1
686.20221	0.3
759.20630	1.3
760.21240	0.5
777.22498	0.7
801.22418	4.1
802.22839	0.7
819.23627	4.2
820.24060	1.1
861.24542	11.4
861.41193	0.6
862.24805	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	861.283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99323	1.4
61.98829	3.7
65.23481	0.6
67.01893	4.1
69.03486	0.9
69.22105	3.0
69.22527	3.5
71.01399	3.0
71.04321	0.7
81.03490	1.0
83.05043	1.3
85.02982	2.8
87.00890	4.8
89.02456	1.0
93.03471	29.1
96.96030	3.6
101.02464	1.1
111.00927	1.0
111.04539	3.7
116.92863	1.2
117.77669	0.7
119.05003	1.2
121.02976	0.8
129.01953	1.0
133.02971	2.0
134.03766	8.6
135.04535	2.0
137.02464	2.5
142.07201	0.6
145.02945	0.9
148.05321	91.9
149.02449	1.1
149.05620	5.6
150.03191	0.7
150.88434	0.7
152.01099	1.4
155.03571	1.5
160.01683	0.8
161.02441	2.8
162.03232	5.9
163.07666	100.0
164.07977	7.3
173.04567	37.7
174.04959	0.7
179.03487	0.8
191.05594	3.4
205.05070	1.0
213.14989	5.0
231.10240	2.4
253.09300	2.6
275.09283	15.8
276.09619	1.5
449.14581	29.8
450.14890	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	861.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	0.8
61.98834	1.3
63.87726	0.2
67.01904	2.6
69.03473	0.9
71.01382	1.8
71.56179	0.2
73.02958	0.5
81.03483	0.6
83.01410	0.2
83.05054	0.3
84.65783	0.2
85.02975	0.9
87.00887	2.3
89.02463	0.6
92.28167	0.2
93.03467	15.5
94.03839	0.4
94.09007	0.2
94.88693	0.2
96.96031	1.6
99.00935	0.3
99.04559	0.2
99.98796	0.2
101.02454	0.6
105.03434	0.3
109.02977	0.3
111.00883	0.4
111.04552	2.1
112.55227	0.2
113.02442	0.6
116.92870	0.9
119.05013	0.4
129.01982	0.3
133.02979	1.0
134.03757	6.2
135.04549	1.2
137.02455	1.8
137.45738	0.3
143.74162	0.2
144.38161	0.2
145.02985	0.6
148.05324	89.9
149.02490	0.3
149.05644	5.2
150.05827	0.3
153.02022	0.3
155.03516	1.3
160.01671	0.4
161.02493	1.5
161.19069	0.2
162.03246	5.0
163.07668	100.0
164.07990	6.5
165.05545	0.3
173.04565	18.0
174.04868	0.6
178.02637	0.3
179.03510	0.5
183.13905	0.7
191.05615	1.6
193.05003	0.3
194.18228	0.2
195.06775	0.3
195.13956	0.7
205.05003	0.2
213.14981	6.3
214.15329	0.4
231.10312	1.0
232.10420	0.2
253.09296	2.8
275.09283	13.1
276.09537	1.2
310.38593	0.2
449.14575	17.0
450.14902	1.9
506.03992	0.3
529.17883	0.2
563.09753	0.2
655.29633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69898	0.4
69.40717	3.4
72.17478	0.4
77.03967	1.5
78.89623	0.4
79.01922	0.9
79.84303	0.4
93.03469	2.4
117.03479	7.6
118.75215	0.5
119.05037	0.9
121.02960	2.3
125.02435	0.5
135.04549	2.2
137.02425	0.6
145.02945	0.5
147.00992	0.4
149.02405	1.6
159.04533	1.6
161.02454	3.7
163.04056	3.1
163.68675	0.4
165.01952	0.9
173.04573	1.1
183.08102	0.7
185.06062	0.5
191.03494	1.4
191.05621	1.3
195.08163	0.6
197.06094	0.9
203.03554	1.2
211.07819	1.0
239.07123	1.6
241.05093	0.5
243.06633	0.8
267.06421	0.5
268.03760	1.9
269.04608	3.3
281.04529	2.9
282.05341	1.7
283.06149	42.6
284.06491	3.8
293.04572	1.7
295.06113	1.5
309.04266	0.7
311.05637	78.9
312.06009	6.7
323.05533	4.2
341.06680	10.9
342.07217	0.7
353.06897	0.5
359.88828	0.5
370.28259	0.5
431.09839	100.0
432.04962	0.4
432.10172	9.9
444.63959	0.5
503.60687	0.5
678.31232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.7
67.01902	0.8
71.01391	2.5
73.02945	1.0
79.95755	0.6
80.96520	0.7
83.01370	0.7
85.02957	2.9
87.00896	0.8
88.98817	0.5
89.02445	1.2
93.03481	3.7
94.03829	0.5
95.01381	0.7
96.96024	3.4
98.20572	0.5
101.02440	1.6
108.02184	1.4
109.02959	1.2
110.00151	0.5
111.00868	0.6
113.02433	0.6
116.92876	1.3
119.05061	0.6
120.99676	0.6
121.02972	1.2
121.56826	0.4
123.00928	0.7
124.01688	1.0
125.02430	1.0
125.32285	0.5
129.01981	0.5
134.03763	0.9
135.04536	2.7
136.01656	0.9
137.02463	12.8
138.02942	0.6
145.03081	0.6
147.04425	0.5
149.02458	1.0
150.03200	1.5
151.00420	0.8
151.04024	1.0
152.01146	1.0
153.01949	1.4
155.03491	0.5
160.01631	1.3
161.02440	1.6
161.04652	0.7
163.04044	1.0
164.01181	0.8
165.01952	43.1
165.05630	1.1
166.02370	1.6
167.03537	0.6
168.00645	0.8
173.04543	2.1
174.04930	0.5
175.03951	0.9
178.02776	0.6
179.03520	8.1
180.04312	22.9
181.04922	1.5
190.02618	0.7
191.01956	0.6
191.04074	0.6
191.05627	3.4
193.05110	1.1
194.05865	0.9
195.02942	1.5
195.06650	24.4
196.06949	0.8
198.03183	0.7
202.02733	0.8
205.05028	0.7
209.02901	0.5
209.08080	0.5
210.05318	3.6
219.69850	0.4
225.07713	12.5
226.02715	1.8
226.08148	0.7
227.03613	0.6
240.04211	0.4
242.02240	0.8
243.03030	4.5
244.03378	0.5
251.09161	0.5
268.03754	0.6
270.01682	5.2
271.02496	12.5
272.02902	1.0
273.40726	0.5
281.04388	0.7
283.06213	0.9
284.03314	0.6
285.04102	12.5
286.04538	0.9
299.02017	27.1
300.02628	4.8
311.05515	1.2
313.03568	16.0
313.07037	0.7
314.04327	26.4
315.04965	6.8
327.05200	1.3
328.02332	0.6
328.05872	5.3
329.06689	58.7
330.07050	4.7
343.04572	0.8
371.07706	0.7
420.08551	0.6
468.14853	0.5
473.11075	0.6
477.10083	0.6
507.12915	5.0
508.12878	0.5
537.13794	0.7
555.15198	4.6
607.12231	0.6
621.28595	0.6
622.15497	0.6
637.17798	100.0
638.18140	16.1
659.23706	0.6
728.51105	0.6
815.24420	1.6
863.26086	7.5
864.26599	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	863.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.9
67.01920	1.0
68.46085	0.7
69.45998	5.2
71.01390	5.4
72.99334	0.8
73.02930	1.4
75.00889	0.7
76.93156	0.7
79.95730	1.0
80.96500	0.9
85.02944	4.0
87.00876	1.3
88.98795	3.0
89.02428	1.8
93.03462	6.4
95.01443	0.8
96.96017	9.6
101.02463	1.8
108.02164	1.8
109.02958	2.3
111.04519	0.9
113.02470	1.7
116.50906	0.7
116.92868	1.8
119.03427	0.9
121.02956	1.3
123.00906	0.7
123.04542	1.0
125.02454	0.8
125.04128	0.7
129.02008	1.0
133.02954	1.7
134.03740	1.6
135.04520	3.2
136.01660	1.6
137.02464	14.5
149.02415	1.2
150.03246	2.4
151.00394	1.1
151.04041	1.4
152.01180	1.3
153.01927	1.8
160.01646	1.1
161.02460	2.5
162.03259	0.8
163.04031	0.9
165.01953	39.1
165.05560	1.7
166.02351	1.7
166.05116	1.1
167.03499	1.3
168.00645	0.8
169.01237	0.7
172.96458	0.9
173.04543	3.5
175.04036	1.0
177.01935	0.9
178.02637	1.3
179.03517	7.5
180.04309	21.8
181.04739	1.1
190.02751	1.3
191.02003	1.1
191.05637	4.7
193.05066	1.8
194.05798	1.2
195.02986	1.6
195.06645	22.8
196.06937	0.7
205.05055	1.6
210.05360	3.2
223.06171	1.1
225.07732	13.5
226.02704	2.1
226.07957	1.4
227.03419	1.1
242.02177	1.0
243.02951	4.4
270.01657	5.0
271.02502	10.0
282.05475	0.9
285.04071	13.4
286.04492	1.1
299.02017	25.4
300.02530	3.6
313.03503	15.7
314.04330	29.8
315.05096	6.6
327.05020	1.1
328.05930	6.0
329.06671	57.1
330.06952	5.0
339.04974	1.2
391.76303	0.9
507.12875	1.8
537.13715	1.3
555.15002	1.0
615.24689	0.8
637.17761	100.0
638.18018	14.9
863.25806	3.3
864.27985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.484
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96229	1.3
66.30638	1.1
71.01390	7.2
71.55949	1.5
73.02951	2.0
78.98590	4.5
79.95746	20.5
80.96528	74.9
82.95413	1.6
85.02944	3.4
85.30991	1.2
87.00893	1.5
94.98087	15.7
96.96010	1.4
101.02447	1.8
106.98122	3.1
122.97575	3.4
125.02439	2.7
134.97549	5.3
136.99188	1.7
148.99158	4.6
152.98608	6.0
161.24371	1.2
164.98669	11.7
206.99651	3.5
225.00734	17.6
226.01025	1.6
231.76346	1.2
283.05017	1.4
537.28021	1.7
540.37006	1.3
607.25421	1.4
637.97205	1.3
765.20935	1.4
811.02728	1.5
863.48328	100.0
864.48596	23.1
897.16241	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	863.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.7
67.88384	0.5
69.03450	1.0
70.13364	0.8
70.13699	2.4
71.01390	17.8
72.99318	1.8
73.02942	2.4
73.57787	0.6
76.99539	0.6
80.02671	1.4
80.96537	0.7
81.03466	2.2
83.01379	1.9
83.05022	3.9
84.02217	0.7
85.02950	3.8
87.00883	4.3
89.02453	13.2
89.03006	0.8
93.03465	0.8
95.01344	1.4
97.02975	3.2
98.20602	0.7
101.02456	12.3
109.02957	0.6
111.00888	0.7
111.04559	0.8
113.02463	8.3
114.02818	0.8
117.53909	0.6
119.03532	4.0
125.02477	6.6
141.01747	6.1
143.03497	2.7
157.68835	0.6
161.04514	3.7
163.02907	0.6
163.11273	4.2
165.12852	2.6
179.05637	3.7
181.39204	0.6
191.10854	1.2
192.98000	0.6
209.11845	100.0
210.12216	5.7
217.07202	1.0
221.06644	1.7
225.18251	0.6
227.12912	17.2
228.13269	0.9
235.08205	4.8
253.09285	0.9
255.23320	57.8
256.23676	3.6
269.24982	0.8
287.07742	1.8
297.24466	0.9
305.08731	1.9
379.12445	8.3
397.13531	43.8
398.13721	3.5
415.14651	8.2
416.15015	0.7
553.23340	0.6
580.66614	0.7
607.25677	0.9
653.37866	1.0
849.14410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08910	0.3
69.03474	1.2
70.04832	0.3
71.01392	15.9
71.05064	0.4
71.27093	0.5
72.99325	1.5
73.02953	2.6
80.02701	1.1
81.03448	2.2
83.01411	2.1
83.05040	4.6
84.02187	0.7
85.02950	4.0
87.00882	3.7
89.02457	14.0
89.03017	0.7
95.01415	1.4
95.05064	0.9
97.02962	2.5
99.00920	0.6
101.02452	11.8
103.00455	0.4
111.00886	0.5
111.04501	0.7
113.02460	6.8
113.03252	0.4
119.03512	3.2
125.02475	6.1
125.06114	0.7
131.03535	0.5
133.05116	0.4
135.08234	0.7
139.04027	0.6
141.01790	1.0
143.03523	2.9
145.05093	0.4
161.04535	3.0
163.11324	3.3
165.12822	2.0
167.03479	0.5
179.05606	3.0
181.12350	0.4
191.10773	0.8
199.06065	0.6
207.30014	0.4
209.11842	100.0
210.12175	5.9
217.07144	0.7
221.06664	1.0
227.12909	13.4
228.13184	0.7
235.08238	4.8
236.08638	0.4
253.09134	0.5
255.23311	57.0
256.23657	4.3
269.24759	0.7
287.07785	2.3
305.08813	1.7
323.09927	1.1
361.11462	0.6
379.12445	8.3
380.12756	0.7
397.13519	40.7
398.13885	2.9
415.14584	8.1
416.15103	0.5
589.25201	0.5
607.25964	0.9
644.78326	0.4
653.37622	1.3
655.37628	0.4
679.38794	0.3
863.16888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.1
68.99831	1.2
69.03445	0.6
69.56372	2.1
71.01390	7.7
72.99303	2.8
73.02950	1.3
75.00464	0.6
75.00878	9.9
75.71228	0.3
81.03473	0.5
83.01408	0.5
85.02956	10.8
87.00891	3.2
89.02451	2.1
91.04041	0.3
93.03472	2.6
95.01386	3.3
96.96000	0.5
99.00890	5.3
101.02470	0.4
103.00405	0.5
108.02174	0.3
109.02990	0.9
111.00874	0.7
113.02463	11.2
114.02800	0.3
115.00395	0.9
117.01953	1.6
121.02966	47.6
122.03291	1.4
129.01971	1.2
131.03494	0.3
134.03716	0.7
135.04546	0.4
137.02444	0.7
137.29788	0.4
144.43050	0.3
157.01421	0.6
160.01735	0.5
161.02386	0.4
162.83450	0.3
173.04526	3.0
174.04866	0.3
175.02475	1.3
175.04016	1.0
179.03694	0.3
189.04056	1.2
191.05646	2.1
193.05147	0.9
231.05057	3.0
249.06163	33.4
250.06462	1.8
353.08707	0.9
367.10306	0.5
371.09845	100.0
372.10175	7.8
381.19269	0.6
437.92380	0.4
452.79330	0.3
560.57623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	4.5
71.01390	21.7
71.28086	8.8
80.49340	4.9
85.91393	4.0
87.00892	5.6
89.02479	22.6
89.45560	4.1
96.96021	5.1
101.02454	15.1
103.84901	4.5
113.02419	10.5
119.03528	7.0
120.74220	5.4
125.02445	10.6
148.15906	4.1
161.04607	6.1
171.10300	100.0
209.11842	22.0
210.12187	9.7
211.12645	4.4
235.08266	9.7
255.23293	11.0
262.71463	4.5
277.21716	53.9
379.12726	21.1
397.13477	58.6
398.13818	7.4
415.14566	14.7
430.73550	5.0
551.23224	7.7
569.24542	7.0
801.76172	5.6
865.43304	33.6
866.43890	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	865.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	9.3
70.96602	16.8
70.96934	9.7
71.01376	25.5
72.01771	7.4
81.58737	7.0
83.01399	8.1
85.02937	8.6
89.02447	26.1
101.02429	20.5
103.84970	9.1
113.02483	16.6
121.76345	7.2
125.02423	7.6
127.54108	7.6
142.72742	7.2
171.10312	100.0
179.05675	9.7
209.11827	61.4
210.12173	35.7
229.02040	7.9
255.23277	28.0
256.23651	22.2
277.21750	71.9
369.81149	7.8
379.12463	16.4
397.13586	80.3
398.13763	23.5
399.13989	13.2
463.90424	8.7
551.23029	13.8
865.43738	47.8
866.44073	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	865.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16897	1.1
61.98840	2.9
64.95496	1.1
71.01387	3.2
71.18388	2.3
76.93786	0.9
80.96526	2.1
85.02974	2.3
88.14289	1.1
89.02444	2.3
97.02956	5.3
101.02463	3.9
109.15831	1.0
111.08201	1.5
113.02461	1.6
119.03506	1.0
127.62911	1.0
134.26436	1.0
139.95499	1.0
161.09746	1.3
165.12842	1.5
171.10278	3.7
175.62434	1.1
177.48848	1.0
183.13943	1.8
211.13336	2.3
229.50774	1.0
235.08260	6.2
247.20789	1.2
251.16489	1.7
253.09306	15.9
254.09673	1.3
277.21750	100.0
278.22092	9.0
291.19699	25.9
292.20062	2.1
309.20749	63.7
310.21259	5.1
545.29608	1.2
569.41602	1.6
865.50104	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	867.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	1.2
64.96490	0.3
67.01900	5.4
69.03471	1.0
69.21791	2.5
69.22195	0.8
71.01389	4.7
72.99330	0.7
73.02939	0.7
74.80862	0.4
80.15689	0.4
81.03476	1.8
83.01383	0.5
83.05038	1.4
85.02954	4.5
87.00888	2.6
88.91806	0.3
89.02445	0.5
89.03996	1.6
93.03468	34.8
94.03778	0.6
95.01433	0.6
96.96063	0.8
98.19905	0.7
99.00892	1.5
99.04511	0.5
101.02459	0.7
108.02151	0.4
109.02947	2.6
111.00896	3.0
111.04537	7.3
111.05280	0.3
111.37445	0.4
113.02499	0.9
115.00365	1.1
117.03485	6.2
118.03825	0.6
121.02966	0.4
127.04023	1.6
128.03555	0.5
129.02065	0.5
133.02977	1.1
134.03754	76.2
135.03992	2.0
137.02455	4.4
139.04031	0.5
149.06087	7.5
153.01915	0.5
155.03526	5.4
160.01706	0.5
161.02519	2.5
161.04619	0.5
165.05638	0.5
173.04561	100.0
174.04889	3.5
175.02464	2.4
175.04042	1.0
177.01912	1.4
178.02769	0.8
179.03464	0.6
186.27829	0.4
187.03952	0.4
191.05629	41.7
192.05957	1.1
193.05069	76.0
194.05409	3.3
219.02962	0.7
229.01434	0.6
233.04579	0.8
235.68745	0.4
237.03999	1.0
247.06042	0.4
262.80286	0.4
277.03583	0.6
319.04428	0.4
337.05722	5.4
339.05057	0.4
349.11374	0.5
353.08929	0.5
367.10345	74.3
368.10706	7.1
381.06104	1.0
499.10962	12.4
500.11395	1.5
846.93323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99288	0.6
67.01906	3.0
69.03455	1.1
71.01385	4.6
71.56415	0.8
73.02932	1.0
77.03905	0.5
79.01903	0.6
81.03450	1.1
83.01387	1.2
83.05038	1.2
85.02956	7.5
87.00875	2.3
89.02444	1.0
93.03466	21.9
94.03825	0.6
95.01385	0.6
96.96008	2.2
97.02965	0.5
97.24004	0.5
99.97655	0.5
101.02435	1.0
105.03443	0.8
107.01414	0.7
108.02139	0.9
109.02972	3.6
111.00867	2.4
111.04522	4.9
113.02440	1.8
119.05022	0.6
121.02953	1.5
123.04522	1.0
125.02440	1.1
127.04002	1.6
133.02954	11.4
134.03783	5.3
135.00914	0.7
135.04553	4.8
137.02458	5.7
145.02846	0.5
146.03714	1.1
147.04572	1.3
149.02431	1.7
149.06020	1.5
151.00368	0.6
151.04008	0.6
153.01923	0.8
154.99860	0.6
155.03523	5.4
158.03741	0.9
159.04509	2.1
161.02475	1.7
161.04541	0.6
163.00369	2.0
163.04031	2.4
165.01923	1.7
172.05334	5.4
173.04564	66.4
173.05943	3.1
174.03323	0.8
174.04845	2.4
175.03975	2.3
175.07603	0.8
177.01953	2.1
178.02736	2.1
179.03482	2.4
187.04153	3.3
187.07658	51.8
188.08003	2.2
191.01956	1.1
191.03764	1.5
191.05624	39.4
192.05954	1.6
193.01425	1.8
193.04980	3.0
199.04037	1.7
200.04779	0.6
201.01927	1.2
201.05563	3.6
202.06374	8.9
203.03506	0.8
203.06967	0.7
203.10931	0.6
212.04909	0.6
213.05568	1.4
213.09230	9.3
215.07140	4.2
216.07799	0.8
227.03499	1.0
228.04112	0.6
229.08707	2.5
231.06615	20.5
231.10262	27.8
232.10576	1.5
233.06593	0.8
253.05113	1.5
255.03053	0.7
255.06720	0.8
257.08188	11.4
269.04605	1.0
269.13000	1.3
275.09274	57.8
276.09595	5.6
279.10986	0.5
280.55298	0.5
284.03320	7.9
285.04016	5.6
286.04794	0.6
297.04037	12.9
298.04791	8.7
299.05609	14.0
300.06006	1.5
309.04080	1.1
311.05722	2.6
324.02603	0.8
327.05112	75.2
328.05414	5.9
339.05215	2.8
357.06171	18.5
358.06393	1.6
363.04959	0.9
369.06076	0.7
381.06165	1.8
399.07098	0.6
405.11887	2.2
417.08282	100.0
418.08585	10.1
431.13486	1.5
449.14566	22.2
450.14764	3.1
469.12885	0.6
487.15436	0.5
867.30786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	0.3
69.03463	12.4
70.35838	0.6
70.36235	0.6
71.01391	1.2
73.02970	0.3
77.78014	0.3
79.01897	5.6
81.03057	0.3
81.03454	1.5
82.43913	0.3
83.01363	0.5
83.05053	1.7
85.02959	1.9
89.02472	0.5
93.03464	1.1
94.05964	0.3
95.01398	2.8
96.96041	1.6
97.02960	6.8
101.02460	0.8
107.01400	18.1
108.02219	0.8
109.02973	1.2
111.00889	0.4
113.02430	0.4
121.02921	0.3
123.00903	4.0
125.02461	14.5
127.95954	0.3
129.01945	0.3
133.02965	0.3
134.03720	0.7
135.00900	66.7
135.04527	1.2
136.01233	2.0
137.02422	0.8
142.83907	0.2
149.99615	0.3
151.00352	2.0
151.04036	0.3
152.01181	0.9
153.01868	0.6
161.02473	0.4
166.02713	3.8
167.03511	100.0
168.03859	3.5
173.04564	1.1
177.01912	0.5
179.03438	0.3
181.05084	0.4
191.05597	2.9
192.05928	0.4
193.05023	0.6
207.15018	0.4
209.04578	1.7
225.16081	1.8
311.07870	0.6
326.93463	0.3
329.25699	0.3
333.22815	0.5
348.87576	0.3
371.09918	4.2
372.10159	0.7
431.09570	0.5
433.31866	1.0
451.32944	21.0
452.33255	3.1
652.60748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.1
69.25040	8.9
70.74791	0.8
71.01392	17.8
72.99323	1.8
73.02955	3.6
81.03409	1.0
83.01398	2.0
85.02964	5.0
86.35986	1.0
86.65961	1.0
87.00891	5.8
89.02457	17.1
95.01398	2.4
97.02952	3.3
101.02451	12.6
113.02456	8.8
119.03503	3.9
125.02449	8.8
125.09702	1.7
127.11298	1.5
143.03546	2.6
150.91568	1.0
161.04584	3.3
171.10291	100.0
172.10564	4.8
179.05595	4.5
217.07219	1.8
221.06589	1.7
235.08278	6.2
253.09282	1.2
255.23323	76.1
256.23630	6.6
287.07666	2.6
293.21344	1.7
295.22812	1.6
305.08673	2.5
323.09717	1.4
334.46747	0.9
377.29858	1.1
379.12433	20.4
380.12799	2.2
390.52811	1.1
397.08316	2.2
397.13541	45.9
398.13904	4.4
415.14691	6.9
504.50903	1.1
551.23444	3.0
569.24512	2.8
635.36346	4.0
653.37152	5.2
654.38403	1.2
764.67950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	29.1
67.89342	4.2
68.99550	6.9
71.01385	49.8
71.56051	5.4
72.99318	5.3
73.02956	13.0
78.95925	5.9
79.95735	9.1
80.96510	5.0
83.01387	5.5
85.02966	19.7
89.02433	5.2
95.34357	3.8
96.17638	4.5
96.96021	100.0
101.02437	18.5
105.81486	5.0
113.02477	20.5
114.69088	4.9
125.26457	3.9
135.07909	4.9
141.40572	4.9
161.04587	17.7
171.10303	6.5
209.11781	6.9
211.13194	4.1
224.03835	4.2
247.70056	4.3
253.09393	5.3
280.59280	4.2
287.66324	4.6
307.19058	5.1
309.20639	5.3
325.20340	5.4
372.34775	4.1
481.52322	4.5
765.47809	40.7
766.48566	12.6
783.49091	17.8
825.49829	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	871.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53438	1.6
67.01880	1.7
69.84176	7.0
71.01389	21.9
71.86304	1.4
72.99308	5.3
73.02955	4.2
75.00875	7.3
79.75730	1.7
81.03450	2.5
83.01408	2.4
83.05053	2.2
85.02962	43.4
87.00878	8.6
89.02460	12.4
93.03471	22.4
93.04037	2.7
95.01398	4.1
96.96015	4.2
98.19960	1.8
99.00906	5.9
99.04539	1.8
100.94382	1.6
101.02456	6.6
109.02956	8.6
111.00897	2.9
111.04518	4.6
113.02464	13.0
115.00388	4.4
119.03535	2.0
121.02977	43.4
123.00912	3.1
127.03976	2.1
129.01956	3.3
133.02943	3.5
134.03751	5.1
135.04550	7.5
137.02432	3.2
146.03763	2.1
147.04555	3.9
149.06102	5.0
151.06181	2.6
153.05600	3.8
155.03513	4.0
159.04514	16.6
161.02451	6.6
163.03989	2.2
171.02991	2.4
173.02390	2.5
173.04567	21.2
175.02475	7.3
175.03925	3.2
176.30771	1.5
177.01930	3.8
179.03508	4.1
187.04103	1.8
191.02003	3.6
191.05632	100.0
192.05972	4.4
193.05028	4.2
197.08307	1.9
203.03542	4.5
209.03079	2.9
225.05486	3.8
227.31233	1.8
233.04576	3.8
234.78081	1.6
235.04099	3.8
237.03896	2.5
237.05920	2.2
249.06068	8.8
253.05096	11.5
263.03503	9.5
264.04245	2.6
265.05063	8.4
266.05701	2.3
268.07477	2.1
271.06107	2.5
277.05069	2.2
279.02960	1.8
280.03833	4.8
281.04559	28.2
282.05099	5.9
283.06030	7.2
286.08441	2.1
291.03009	4.5
292.03781	3.2
293.04431	14.1
293.16885	1.6
294.05087	2.7
295.05933	1.8
296.06894	15.6
297.07706	3.1
298.08459	4.4
299.08682	1.9
301.10831	7.0
306.05252	3.4
307.06091	4.7
308.03400	20.7
308.06708	3.0
309.04031	18.2
309.07309	3.0
311.09305	10.9
312.09705	2.1
313.10910	6.1
323.05652	30.8
324.06339	24.8
325.06699	2.1
337.05634	11.1
338.07880	5.2
339.08740	97.8
340.09015	11.2
350.04428	1.7
353.08685	2.1
355.08432	2.8
365.06680	4.6
368.05304	3.0
371.09830	65.9
372.10141	6.5
381.06277	2.0
383.07611	16.9
399.10782	5.0
499.10965	27.0
500.11578	3.0
517.33752	1.9
547.88190	1.8
551.82635	2.0
557.12952	5.8
619.75220	2.0
625.03101	1.6
635.19562	3.4
653.20947	27.9
654.21490	3.1
679.18835	29.1
680.19312	4.9
697.19855	45.7
698.20300	8.3
781.99127	1.6
871.25287	58.4
872.25299	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	871.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27956	1.1
61.98834	1.6
63.57410	1.1
71.01383	13.4
71.57656	1.8
72.29826	1.1
73.02936	1.8
83.01383	1.9
83.05009	1.4
85.02966	5.6
87.00893	3.5
88.00754	1.1
89.02451	13.0
96.96008	3.4
97.06596	2.2
101.02454	10.5
105.29792	1.1
111.04542	1.4
113.02444	5.1
119.03524	1.7
125.02440	3.2
127.66483	1.1
148.99648	1.2
149.09691	1.0
151.11325	10.2
169.12361	61.9
170.12717	1.5
174.98087	1.1
213.11349	7.9
221.06647	2.3
277.21725	19.1
293.21198	1.3
305.17535	1.7
323.37030	1.2
397.13525	4.5
484.11606	1.3
593.24829	1.5
611.25702	2.7
871.47015	100.0
872.47150	19.3
872.94928	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	873.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99323	0.9
61.98847	1.6
62.14392	0.7
67.01897	2.3
69.03452	0.9
69.40895	5.3
71.01386	8.2
72.99311	1.1
73.02950	1.8
81.03473	1.3
83.01411	0.8
83.05019	1.3
85.02959	21.8
87.00899	6.1
87.10773	1.0
88.98803	0.8
89.02442	5.8
93.03465	22.1
96.96016	6.5
98.19923	1.5
99.00955	0.8
101.02443	3.9
105.03467	1.1
108.02187	6.8
109.02242	1.1
109.02962	10.5
111.00890	2.4
111.04545	6.0
113.02468	2.4
116.92828	0.7
117.03485	0.7
119.03506	1.7
121.02981	2.3
123.00916	1.0
123.04581	1.3
124.01662	0.8
125.02455	3.2
127.04026	3.7
129.01952	2.0
133.02969	4.9
134.03741	7.9
135.04536	65.3
136.01663	1.3
136.04880	3.2
137.02461	13.0
138.03123	0.9
145.02939	4.5
146.03816	1.0
147.04581	1.0
149.06017	1.1
149.99637	1.4
150.03224	0.8
151.00496	0.9
151.04039	1.2
152.01213	4.3
152.03600	1.7
153.01973	4.1
155.03503	4.5
159.00372	0.9
159.04538	6.6
160.01692	1.7
161.02438	2.8
161.04701	1.0
161.06100	3.0
163.03984	1.4
167.03392	0.8
168.00681	1.8
171.03036	0.8
171.04486	1.2
173.00946	0.9
173.04572	18.3
175.04034	0.9
177.01927	2.2
178.02774	0.8
179.03464	3.4
179.05608	3.6
180.04329	0.9
181.05090	1.3
181.06584	0.8
187.07684	0.9
191.01981	2.8
191.05624	100.0
192.05971	3.6
192.75085	0.8
193.05103	1.1
195.06664	1.5
202.65604	0.7
205.05098	0.9
209.03053	2.3
213.09146	0.8
231.10141	0.9
239.07169	1.2
251.07074	1.5
263.07242	1.3
266.05899	1.0
267.06622	2.4
279.06778	1.8
281.08215	3.7
285.11218	1.3
289.08792	1.2
291.06842	1.7
292.07382	2.4
295.09805	1.3
305.08206	3.1
306.08875	1.6
307.09744	2.2
314.07892	1.5
315.07166	5.4
316.07333	0.8
317.08115	1.6
319.09674	1.4
320.10501	1.4
321.11084	0.8
322.12097	2.6
335.09259	1.9
337.14502	1.2
350.11673	1.3
353.08862	0.9
365.13953	3.3
381.13281	1.7
383.07715	2.1
409.10959	1.4
425.14029	1.0
427.11844	9.2
428.12305	0.9
441.13831	0.9
442.14267	28.1
443.14633	3.2
457.16592	99.5
458.16940	12.9
483.14542	2.1
501.15558	2.7
521.12946	1.3
561.20374	1.4
637.23224	9.2
638.23492	0.9
663.20642	1.4
681.21674	2.9
699.23242	1.2
735.24548	3.5
781.87134	0.9
855.27216	9.8
856.27478	2.9
870.52917	0.8
873.28015	24.9
874.28882	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	873.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	24.0
69.79785	10.8
71.01373	15.0
92.53006	12.2
96.95998	15.5
98.96207	12.8
116.92860	31.1
134.04741	19.8
152.99634	18.0
153.30882	11.9
157.14909	12.9
171.10286	17.5
197.11740	32.1
253.09193	16.9
277.21606	24.1
305.60886	13.3
309.20767	100.0
313.51382	13.6
370.89294	14.1
410.13388	14.0
470.85083	13.8
535.44800	13.6
563.73517	16.4
564.39020	16.4
813.12128	13.8
873.48450	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	877.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13605	0.6
69.03461	4.0
70.30296	1.9
71.01392	12.2
71.05014	0.9
72.99319	1.6
73.02950	1.9
75.29116	0.6
83.01384	2.0
83.85960	0.6
85.02965	3.1
87.00874	1.8
89.02463	6.9
95.01397	0.7
97.02937	2.4
97.06590	1.1
99.00893	1.2
101.02464	9.0
112.79849	0.6
113.02470	3.1
119.03527	1.6
123.08114	0.9
125.02420	2.1
125.09699	1.7
143.03355	0.7
151.11263	2.4
153.12830	1.1
161.04503	0.9
161.09705	3.1
175.33194	0.7
179.10791	5.4
187.70155	0.6
197.11841	30.0
198.12219	1.5
204.02180	0.8
209.11835	1.5
221.06584	1.1
223.09674	0.9
235.08333	1.0
241.10872	2.4
255.23312	42.3
256.23660	3.1
269.24838	1.3
362.55609	0.7
397.13474	2.8
404.03751	0.6
408.32965	0.6
665.30481	0.7
877.48090	100.0
878.48407	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	879.221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.5
69.28269	0.8
69.28687	2.1
75.00860	0.5
75.41604	0.3
77.03963	0.3
79.01893	0.5
80.66724	0.3
83.01378	0.6
85.02930	0.6
93.03452	0.7
97.02956	0.7
99.00859	0.4
100.33758	0.3
103.59134	0.3
105.03479	0.5
107.01402	0.4
109.02969	1.9
113.02447	0.9
117.03493	0.3
119.05011	0.7
121.02956	1.2
125.02434	0.9
133.02965	10.0
134.03510	0.3
135.04532	1.7
137.02440	0.9
147.04550	1.1
149.02440	1.8
151.00352	0.5
151.03964	0.5
153.01923	2.1
161.02484	1.3
163.00394	1.7
163.04033	2.5
165.01923	1.7
168.04298	1.5
173.02443	0.4
173.04590	0.3
175.03995	3.1
177.01917	0.9
183.06659	0.9
185.06151	0.3
191.03508	1.8
191.05550	0.4
193.01398	1.3
198.03220	0.4
199.03978	1.4
201.01924	1.0
203.03473	0.7
209.06073	0.3
211.03929	0.5
211.07693	0.4
212.04713	0.6
213.05487	1.0
213.71902	0.3
215.03508	0.6
217.05069	0.4
225.05568	0.9
229.05081	0.3
240.04231	0.9
241.05049	1.1
242.02295	0.4
242.06145	0.3
243.03088	0.5
249.05980	0.6
253.05130	1.2
255.02986	0.6
255.06689	0.7
256.03912	0.4
257.04578	0.6
267.07239	1.7
269.04520	0.9
270.05063	0.3
271.06113	0.4
284.03250	9.3
285.04083	6.7
297.04053	14.4
298.04791	7.5
299.05609	17.8
300.06006	1.2
309.03983	1.0
311.05652	2.4
324.02695	0.6
325.03577	1.3
327.05109	100.0
328.05426	7.4
339.05136	3.3
341.06750	1.0
357.06171	25.4
358.06622	1.9
369.06161	2.8
385.11423	2.8
393.06076	0.8
411.07346	0.3
447.09351	89.1
448.09650	9.5
786.63690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	3.1
64.40280	1.0
64.57998	1.0
69.03466	1.7
71.01389	58.2
72.99307	6.1
73.02967	5.4
83.01410	2.0
85.02962	16.9
87.00883	4.5
87.90907	1.0
89.02459	45.9
89.03009	2.5
93.03455	9.3
95.01393	6.8
96.96017	11.7
97.02970	1.8
99.00883	4.8
101.02456	20.8
107.01398	1.5
108.02187	5.4
109.02976	4.2
111.00903	2.5
111.04509	1.4
113.02461	19.5
116.92860	1.9
119.03527	13.5
121.02987	2.9
123.00913	3.8
123.04539	1.3
124.01670	4.7
125.02485	8.2
131.03532	3.1
133.02977	2.3
134.03764	2.6
135.04539	5.8
136.01691	1.8
137.02454	11.5
143.03482	3.8
145.02966	1.2
149.02432	2.3
149.04588	2.9
149.99609	6.5
150.03188	1.6
151.00360	3.0
151.04018	2.0
152.01166	5.5
153.01953	2.9
155.03471	1.3
160.01648	1.5
161.02443	2.6
161.04561	5.6
161.05763	1.0
163.03984	1.5
164.04822	1.4
165.01959	1.7
165.05632	2.5
166.02742	1.5
166.05122	1.2
166.99896	1.1
167.03510	1.9
168.00604	8.6
169.01297	1.5
173.00723	1.0
173.04602	4.9
178.02769	1.4
178.04834	6.0
179.03531	5.2
179.05623	10.5
181.05042	1.2
191.01971	1.2
191.04060	1.1
191.05627	8.4
193.05067	1.9
195.06633	2.1
197.04570	3.0
198.03081	1.1
205.05049	3.0
214.02650	1.3
226.02713	4.1
229.01468	1.6
241.05247	1.4
242.02292	1.4
243.03041	2.1
255.03145	1.7
269.04645	1.4
270.01749	9.3
271.02460	4.2
282.05365	1.9
283.06137	4.8
284.03278	2.4
285.04092	30.1
286.04413	2.1
297.03934	2.3
299.02106	8.6
299.05371	1.7
299.63284	1.1
300.02737	3.2
309.04025	1.9
311.05478	6.3
313.03592	49.9
313.07031	3.2
314.04205	12.9
315.04791	1.1
327.05203	4.7
328.05908	100.0
329.06573	32.5
330.07095	3.2
357.06183	2.7
383.08359	1.4
445.61868	1.1
447.09372	1.4
461.07162	1.4
463.10410	1.6
476.09653	6.1
477.09665	1.5
490.11069	2.9
491.12045	41.8
491.19299	2.2
492.12109	4.5
507.12994	42.5
508.13348	6.5
511.11334	2.3
537.06158	2.2
537.14020	33.2
538.14563	5.5
699.20068	1.6
708.11395	1.6
809.90839	1.4
879.22003	10.2
880.21844	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	879.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.5
69.03449	1.4
69.66193	4.6
71.01009	1.0
71.01392	17.5
71.05017	2.5
72.99300	1.0
73.02960	1.3
75.00884	1.0
78.95921	0.7
83.01387	2.1
83.05043	1.0
85.02942	4.1
87.00887	3.7
88.31664	0.7
89.02455	12.8
95.01398	1.1
95.05013	0.7
96.96019	1.4
97.02982	5.9
97.06594	2.9
99.00886	12.2
101.02463	10.0
109.06580	1.2
110.03748	0.8
111.08166	0.8
113.02469	4.1
119.03490	2.1
123.08193	1.4
124.39038	0.7
125.02463	3.7
125.09770	4.9
135.08133	0.8
142.02710	1.2
143.03485	1.7
150.04062	0.7
158.62973	0.7
161.04610	2.0
163.11313	6.6
171.10272	6.7
172.10530	1.0
179.05598	1.3
181.12350	10.2
197.11958	1.2
199.13399	8.1
201.11285	1.7
207.10278	25.2
208.10587	1.8
221.06606	1.7
225.11336	34.2
226.11774	2.0
235.08121	1.6
243.12462	7.1
253.09314	0.8
255.23314	52.2
256.23624	3.8
291.19836	3.6
293.21420	1.1
309.20840	2.2
376.98358	0.9
379.12851	1.9
397.13556	9.9
415.14417	1.3
605.24628	2.9
623.25543	2.3
835.95178	1.0
861.48621	13.3
862.48438	3.3
879.49664	100.0
880.49957	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	881.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31564	1.0
67.01892	4.8
69.03479	2.0
69.43904	7.6
71.01389	4.2
81.03474	2.2
83.05037	1.2
85.02949	9.7
87.00901	4.6
93.03470	33.1
96.96017	3.1
97.35050	1.2
105.03471	1.5
108.02179	4.0
109.02972	3.1
111.00880	1.5
111.04545	7.0
112.75208	1.1
117.03471	6.8
121.02972	2.8
125.02441	2.6
127.04018	2.0
133.02974	2.5
134.03755	4.7
135.04584	5.4
136.01639	1.2
137.02467	5.2
146.03761	1.8
147.04561	1.3
149.02431	2.9
149.06108	2.0
151.03996	2.3
152.01173	2.8
153.01997	2.0
155.02434	1.4
155.03540	6.3
158.03732	2.2
159.04532	3.9
161.02460	3.5
163.04092	2.3
166.02751	1.5
172.05290	5.0
173.04573	93.3
173.05991	6.1
174.04883	2.1
174.06860	1.9
175.04089	1.5
175.07713	2.0
179.03426	1.3
183.04575	1.6
187.04086	3.5
187.07661	33.9
188.08128	1.6
189.05371	1.3
191.05632	100.0
192.05936	3.5
201.05594	6.0
202.06410	11.7
203.10753	3.9
211.07626	1.2
213.09218	13.8
214.09447	1.2
215.07161	9.9
223.06145	1.2
229.08653	5.8
231.06569	4.8
231.10281	29.1
232.10609	1.8
257.08215	15.6
258.08606	2.5
268.03888	1.9
269.04590	1.9
275.09280	66.0
276.09650	3.4
282.05423	1.4
283.06152	29.4
284.06458	2.9
311.05649	50.6
312.06027	4.5
323.05649	3.5
327.05228	2.5
341.06653	4.9
405.11844	1.7
431.09827	75.0
432.10269	8.3
447.08749	1.6
449.14612	85.7
450.14835	8.1
467.15884	2.6
520.26062	1.3
523.11188	1.3
635.21692	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	881.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	26.3
65.98486	1.8
67.01898	2.3
69.03456	6.4
69.69920	10.3
71.01384	22.8
71.05022	2.6
72.99321	3.9
73.02950	3.8
81.03442	4.3
83.01392	3.9
83.05032	6.9
85.02953	12.2
87.00878	4.7
88.98816	3.3
89.02473	11.1
93.03459	7.6
95.01385	2.4
96.96027	33.1
97.02944	3.5
98.95576	1.7
99.00859	3.7
101.02458	16.5
108.02179	2.5
109.02946	3.5
111.00874	12.5
113.02498	9.4
116.92846	2.6
119.03515	2.8
119.05053	3.2
121.02987	1.9
121.10574	2.1
125.02494	3.9
125.09708	1.6
130.72450	1.7
133.54572	1.7
134.03792	3.5
135.04491	4.2
137.02428	7.8
151.00398	1.6
151.11269	2.9
153.01912	2.4
154.99873	1.6
161.02414	2.1
161.04512	2.8
161.09726	6.4
163.04022	5.1
163.11269	6.2
163.62781	2.0
165.05487	2.2
165.12808	2.1
173.00974	4.5
173.04562	4.8
175.04025	3.0
179.03490	3.5
179.05679	2.0
179.10788	6.8
179.13661	1.7
180.13138	1.7
190.02737	4.7
191.05611	5.8
197.11852	70.2
198.12173	2.4
209.11845	66.6
241.10817	5.3
287.09720	1.8
397.13690	2.1
397.76593	1.9
676.50763	2.0
849.37708	100.0
850.37994	18.1
881.40564	46.8
882.40289	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	881.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	7.7
71.01395	30.1
71.57539	2.7
72.99309	3.5
73.02947	4.8
73.30030	2.0
83.01408	4.3
83.05032	5.1
85.02940	5.0
87.00876	6.1
89.02453	22.4
97.02943	6.1
99.00906	4.4
101.02444	15.4
112.98818	2.5
113.02465	10.5
115.00388	2.8
115.03867	2.2
119.03506	4.2
121.65086	2.0
124.62196	2.1
125.02453	9.6
125.09737	2.6
141.01790	2.4
142.99832	6.3
143.03490	2.9
161.04579	5.1
163.11278	3.1
165.12749	3.2
171.10194	3.0
174.01698	7.4
175.02560	4.1
179.05597	6.6
201.11327	74.9
209.11832	100.0
210.12192	7.2
211.13396	19.5
226.11662	2.6
227.12915	11.1
235.08203	7.3
253.09235	5.3
255.23311	85.1
256.23694	6.5
277.21722	14.0
291.19589	8.8
293.21207	14.3
305.08878	3.0
309.20764	18.0
379.12442	8.5
397.13498	70.0
398.13928	6.8
415.14929	11.8
460.41998	2.3
581.24622	3.1
623.89453	2.6
653.37592	9.6
881.50110	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	883.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.7
64.56961	0.2
65.03975	0.2
69.35352	1.3
71.01379	0.6
78.89306	0.2
79.95727	0.2
85.02936	0.5
89.02455	0.3
93.03474	1.2
96.96034	1.1
101.02464	0.2
107.05046	0.4
108.99529	0.3
113.02453	0.2
119.05032	0.2
135.04539	12.7
136.04872	0.5
137.02448	1.7
146.66359	0.2
149.02455	0.2
149.06122	0.6
161.02473	0.2
161.05977	0.2
163.04025	76.0
164.03079	0.4
164.04359	3.6
173.04517	0.5
177.05646	0.4
178.06369	72.0
179.06714	3.2
191.05624	0.7
193.08711	100.0
194.09047	4.8
195.06615	0.2
397.66684	0.2
421.75949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.2
69.03462	4.1
71.01389	100.0
72.01727	1.6
72.99319	4.6
73.02955	82.6
75.00881	1.9
83.01398	32.7
84.02158	1.1
85.02962	17.6
87.00877	4.9
88.98792	1.2
89.02452	40.2
91.22906	1.1
91.69404	1.2
93.03471	4.6
93.97224	1.2
95.01395	5.9
96.96028	5.7
97.02953	2.6
99.00889	1.5
100.76142	1.3
101.02454	94.0
102.02808	1.6
103.18636	1.2
108.02170	1.4
109.02997	1.6
111.04547	1.9
113.02459	44.3
114.02815	1.3
117.03505	1.3
119.03518	21.3
125.02466	4.7
131.03519	12.9
133.02982	6.0
134.03763	2.9
135.04520	5.2
137.02435	2.1
143.03499	14.4
145.02951	1.6
149.02541	1.4
149.04561	24.2
150.03168	2.2
152.01230	1.3
153.01945	1.1
155.03487	4.6
160.01653	2.2
161.02524	14.4
161.04561	41.4
165.05582	1.9
173.04556	5.8
175.03926	1.6
179.03595	2.5
179.05663	5.4
187.09451	1.1
190.02655	1.5
191.01961	1.5
191.05618	7.5
193.05043	2.1
203.05576	4.6
205.05025	2.3
216.13658	1.4
221.06702	17.5
261.13391	1.4
271.02173	1.9
285.04117	1.2
287.53070	1.1
292.05743	1.3
299.02081	3.7
303.14484	8.7
314.04266	4.2
329.06839	7.7
347.13651	1.3
363.20084	1.5
373.25940	9.7
374.26086	1.1
379.73068	1.1
422.68939	1.3
475.29254	1.7
502.01376	1.5
535.31274	78.5
536.31445	10.2
595.40253	1.4
637.18207	1.6
689.38580	1.1
721.20245	4.9
827.06415	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.5
67.01921	0.3
69.03455	0.9
71.01390	14.0
71.05034	0.3
72.99321	1.1
73.02947	2.4
75.00916	0.4
78.95899	0.6
79.25295	0.2
79.95752	0.7
80.02692	1.1
80.96505	0.3
81.03454	2.0
83.00970	0.3
83.01396	1.7
83.05029	4.8
84.02185	0.7
85.02962	4.1
87.00890	3.8
89.02450	11.1
95.01401	1.3
95.05038	0.8
96.95996	0.3
97.02961	2.3
99.00893	0.9
101.02451	10.3
109.02964	0.3
109.06593	0.5
110.98547	0.6
113.02457	6.3
119.03500	3.0
121.34653	0.3
125.02454	5.2
125.06108	0.6
131.03539	0.7
133.05077	0.3
135.08167	0.8
139.04039	0.7
143.03528	2.3
149.04572	0.5
161.04559	3.4
163.11308	4.2
165.12845	2.7
174.87288	0.3
179.05630	4.4
180.05923	0.4
181.12375	0.8
185.02231	0.7
185.04352	0.3
191.10796	1.0
199.06055	0.5
199.13422	1.2
207.10240	1.3
208.10822	0.3
209.11842	100.0
210.12189	4.9
211.13368	0.8
217.07268	0.7
221.06737	1.4
225.11343	1.8
225.13287	0.3
226.11528	0.4
227.12923	13.0
228.13266	0.7
229.46985	0.4
235.08266	5.1
251.12833	0.8
253.09352	0.6
259.08179	0.7
277.21741	51.3
278.22119	4.9
279.23291	0.5
287.07806	1.7
305.08932	1.5
323.09824	0.9
361.54276	0.3
376.59268	0.3
379.12473	5.8
380.12775	0.4
397.13531	31.0
398.13831	2.6
415.14563	7.5
416.14716	0.8
445.23779	3.2
532.27533	0.3
586.90479	0.3
587.80774	0.3
589.25397	0.7
607.26141	1.8
625.26929	0.5
885.47699	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	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.4
69.03466	0.9
69.98232	1.0
71.01389	14.1
72.99314	1.2
73.02954	2.0
75.00896	0.3
80.02682	1.1
80.96522	0.3
81.03468	1.9
83.01418	1.7
83.05035	4.5
84.02156	0.6
85.02964	4.1
87.00880	3.0
88.89290	0.2
89.02454	10.8
93.03419	0.2
95.01382	1.2
95.05039	1.1
97.02976	2.3
97.06586	0.2
99.00881	1.0
99.04514	0.3
101.02454	11.3
102.02752	0.2
109.02993	0.3
109.06584	0.7
111.00874	0.4
111.04455	0.3
113.02457	6.0
119.03502	3.0
121.02986	0.3
125.02458	6.3
125.06114	0.4
126.13960	0.2
131.03558	0.7
132.32864	0.2
133.03250	0.2
133.05072	0.5
135.08179	1.1
139.04045	0.4
142.52779	0.2
143.03499	2.2
149.04579	0.3
159.39091	0.2
161.04556	2.5
163.11279	3.6
165.12831	2.4
174.09436	0.3
179.05612	3.6
181.12372	0.7
191.10831	0.9
199.06163	0.6
199.13513	0.3
207.10301	0.5
209.11842	100.0
210.12160	4.6
216.13560	0.2
217.07065	0.5
221.06682	1.5
225.11328	0.5
227.12915	12.3
228.13161	0.5
233.11861	0.3
235.08264	4.5
235.13576	0.3
236.08571	0.3
245.06682	0.3
251.12889	0.6
253.09383	0.6
259.08212	0.4
263.07635	0.4
277.21741	45.1
278.22141	3.3
287.07697	1.6
305.08762	1.7
323.09854	1.0
361.11664	0.3
379.07971	0.5
379.12509	5.5
380.12387	0.3
393.48230	0.2
397.13531	31.9
398.13846	2.2
415.14615	8.6
415.18835	0.2
416.14902	0.5
418.53247	0.3
528.68225	0.3
582.14221	0.3
589.25195	0.9
607.26227	1.1
675.35895	0.5
885.48541	0.8
909.73273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01529	0.3
67.01898	5.3
69.03452	1.1
71.01386	3.6
71.72696	0.2
73.02981	0.3
78.24686	0.2
81.03480	0.8
83.01382	0.3
83.05049	1.3
85.02959	3.1
87.00904	1.9
89.03985	0.4
93.03467	29.9
94.03802	0.8
98.19810	0.3
100.78512	0.2
101.02454	0.7
108.02163	0.3
109.02977	1.2
111.00905	1.3
111.04532	4.7
111.94800	0.2
113.02467	0.8
115.03880	0.2
117.03476	1.5
123.08144	0.3
127.03954	0.6
129.01973	0.4
134.03758	19.5
135.04637	1.8
137.02444	3.9
147.32928	0.3
149.06082	2.1
155.03511	4.7
160.01703	0.3
161.02519	0.3
163.04027	0.3
164.04788	0.3
171.02829	0.2
173.04561	100.0
174.04904	3.1
175.00453	0.3
175.03935	0.5
178.02782	0.4
179.03476	0.8
184.61552	0.2
190.02676	0.3
191.05626	29.6
192.05969	1.1
193.05067	15.5
194.05411	0.8
205.05083	0.4
243.06651	0.4
301.07208	0.4
313.88846	0.3
331.12076	0.4
353.08713	0.3
367.10358	38.0
368.10629	3.4
369.10922	0.3
457.15482	0.3
490.20444	0.2
519.17047	0.6
540.12714	0.3
641.03308	0.3
713.18188	0.3
887.23639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	3.8
71.01380	2.3
71.56300	0.4
85.02978	1.4
87.00874	0.6
88.98802	0.8
89.02448	0.9
93.03461	1.9
96.96024	4.5
101.02461	1.2
108.02193	1.0
109.02950	0.5
111.00896	0.5
113.02428	1.1
117.03479	24.5
118.03818	0.8
119.05041	75.9
120.05357	3.5
121.02952	1.4
123.00897	1.6
133.02982	0.8
133.06537	0.6
134.03787	0.6
135.04565	0.9
137.02460	1.4
138.03253	0.9
145.02968	52.0
146.03304	1.9
147.04544	0.6
149.02499	0.6
150.06848	1.6
151.00410	4.0
151.04021	0.5
152.01158	6.1
153.01924	1.4
153.05501	0.5
162.03214	0.7
162.06853	0.6
163.04028	50.5
163.07610	1.1
164.04381	2.4
165.01936	1.1
166.02716	7.0
167.03520	3.1
173.04549	0.7
175.04036	0.9
175.19626	0.4
177.01981	0.7
177.05591	1.8
178.02690	0.5
179.03528	0.7
179.07143	0.5
179.10794	1.2
180.04405	0.5
181.05115	4.0
190.02675	0.6
191.05571	0.8
192.04428	0.5
195.06706	0.7
197.52838	0.5
203.03529	0.7
205.05145	0.5
209.11804	0.5
218.05887	0.5
257.08237	0.4
315.07275	0.8
317.10196	0.9
555.22235	0.4
581.19775	0.6
640.41382	0.7
641.42383	1.0
642.44159	0.5
683.43597	1.5
727.24017	100.0
728.24353	21.5
769.23846	0.7
845.48840	0.9
889.42395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.9
62.01684	0.6
65.36923	0.6
71.01389	3.0
71.56087	0.8
72.07192	0.6
85.02967	1.9
88.98788	0.7
89.02455	1.3
91.67532	0.6
93.03495	2.0
96.96015	4.0
101.02452	1.6
102.05563	0.7
108.02162	0.7
109.02956	1.5
113.02478	1.5
116.92846	0.8
117.03484	27.1
118.03799	0.7
119.05039	84.1
120.05376	2.7
121.02965	2.5
122.06145	1.0
123.00915	1.5
124.01767	0.7
133.03041	0.6
135.04565	0.9
137.02461	1.5
137.06145	0.7
138.03212	0.9
145.02968	57.4
146.03334	2.9
149.02486	0.9
150.06886	1.1
151.00383	4.7
152.01175	5.8
152.07190	1.2
153.01941	1.5
155.60388	0.7
161.02422	0.7
161.04565	0.7
163.04024	49.5
164.04373	1.3
165.01978	0.8
165.05595	1.2
166.02734	8.1
167.03467	2.7
177.05579	1.5
178.02696	0.9
179.03481	1.1
179.10875	0.8
180.04271	0.8
181.05069	4.9
190.02734	0.9
191.05574	1.2
192.04305	0.8
193.05055	0.7
205.04982	0.8
225.07518	0.7
225.76405	0.9
302.07840	0.8
355.80371	0.6
563.19281	0.9
581.20441	1.6
625.27081	1.9
641.42145	0.9
727.23993	100.0
728.24402	20.5
845.45618	1.2
889.28882	2.3
889.43634	0.8
890.27716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99834	0.8
69.03444	0.6
71.01009	0.8
71.01395	14.1
72.99324	3.7
73.02948	1.4
75.00881	11.5
83.01396	1.3
84.02217	0.4
85.02961	20.5
85.81577	0.4
87.00885	5.8
87.33882	0.4
88.87968	0.5
89.02451	4.3
91.04012	0.9
91.05547	9.1
91.06118	0.5
92.05892	0.5
93.03454	2.6
95.01399	3.3
96.96007	0.6
97.02952	0.5
98.20660	1.3
99.00893	6.7
101.02459	0.8
103.00375	1.5
109.02975	1.2
111.00877	0.7
113.02464	22.2
114.02787	0.8
115.00375	1.6
117.01940	1.9
117.03469	2.7
129.01936	1.9
131.03560	0.5
133.02933	0.5
135.04535	6.7
137.02423	1.6
138.05568	0.5
139.00444	0.5
149.02461	0.8
153.01912	0.6
157.01421	0.8
164.04863	0.8
165.45801	0.4
173.04526	1.0
175.00366	0.6
175.02528	1.2
179.03552	1.3
189.03981	0.5
190.02745	1.8
191.01965	1.3
191.03561	0.5
191.04074	0.5
191.05627	4.1
193.05019	0.8
196.00369	0.5
205.05035	1.7
205.07014	0.8
206.05298	0.6
207.05101	0.7
209.02991	0.6
223.06187	0.8
223.08270	0.6
231.05093	1.6
235.63086	0.5
249.06174	23.6
250.06541	0.5
267.07233	67.8
268.07559	3.0
325.09442	0.6
327.05124	1.7
357.05896	0.5
383.07953	0.7
385.11435	100.0
386.11746	9.0
447.09210	2.4
503.17654	0.9
665.22681	0.8
889.25330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.8
65.63563	0.6
67.60624	0.6
69.03445	1.4
70.02727	3.3
70.43343	0.6
71.01393	17.4
72.99306	2.3
73.02963	3.2
73.50883	0.6
75.00896	0.8
83.01391	1.6
85.02969	4.4
87.00874	5.9
89.02454	12.4
90.02787	0.7
95.01387	1.2
97.02961	2.8
101.02448	13.4
111.04521	1.0
113.02463	8.2
116.92873	1.1
118.05114	0.7
119.03541	3.3
125.02468	6.1
125.09723	0.7
127.11283	1.6
143.03488	3.7
149.04553	0.8
161.04585	4.5
171.10291	100.0
172.10628	3.4
179.05638	3.4
199.06055	0.7
209.11821	6.7
217.07059	1.2
221.06641	1.6
221.39038	0.8
225.11401	0.6
227.13051	0.7
235.08244	6.8
253.09412	0.8
259.08279	1.0
277.21744	72.6
278.22104	5.4
279.23315	1.4
281.24911	2.5
287.07855	2.4
305.08908	2.2
332.82077	0.7
379.12482	17.0
380.12790	0.9
384.36981	0.7
394.30481	0.7
397.13519	50.4
398.13895	2.9
415.14600	8.7
447.25226	0.8
481.25568	0.9
551.23346	2.4
569.24408	1.6
657.35303	1.8
675.36414	3.2
889.49774	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	889.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.6
69.03464	0.8
69.24194	2.4
69.24627	2.6
71.01392	16.3
72.99316	1.0
73.02952	2.2
81.03448	1.0
83.01411	2.1
85.02951	4.2
86.00158	0.6
87.00893	3.5
89.02455	11.3
91.04005	0.7
95.01391	1.3
97.02956	2.3
99.00880	0.9
101.02454	12.3
112.98760	0.5
113.02464	8.9
116.92846	0.8
119.03522	4.0
125.02456	7.5
125.09797	1.1
127.11298	2.0
133.05042	0.5
141.01920	0.7
142.16937	0.5
143.03514	2.9
161.04549	4.0
171.10286	100.0
172.10690	3.6
179.05669	3.5
185.11922	0.6
199.06241	0.8
209.11847	5.5
210.12170	0.6
213.11418	0.9
217.07207	1.3
221.06673	2.1
235.08263	5.4
253.09384	1.2
259.08380	1.0
277.21747	56.8
278.22046	4.0
279.23508	0.9
281.24780	2.0
287.07776	2.2
301.09241	0.7
305.08820	2.0
323.09772	1.1
356.39532	0.5
379.12463	13.9
380.12854	0.7
397.13531	42.1
398.13901	2.1
415.14566	8.8
416.14670	0.6
467.79233	0.6
551.23590	3.3
569.24658	4.8
657.34595	1.0
675.35968	1.8
841.12952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	3.1
73.02949	1.2
83.01382	0.4
85.02968	2.2
87.21690	0.4
87.47079	0.3
89.02494	0.6
95.01382	0.5
99.00893	1.3
101.02452	1.3
108.02188	27.5
109.02989	7.0
113.02459	1.5
121.02905	0.3
123.00880	0.4
123.04539	0.4
134.03778	0.4
135.04547	0.7
151.04045	1.6
152.01169	53.3
153.01736	2.4
161.04567	1.2
163.03996	2.3
177.01923	0.6
179.03426	0.4
191.05600	0.7
205.44284	0.3
207.03050	0.6
207.90782	0.4
300.17621	0.4
315.07169	0.8
447.11469	100.0
448.11795	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	897.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	1.2
67.69273	0.5
69.03448	0.5
69.30309	1.2
69.30717	3.8
69.44297	0.4
71.01397	3.8
73.02954	0.9
77.03974	0.7
78.52319	0.6
81.03463	1.4
83.01398	0.6
85.02957	4.7
87.00875	1.1
89.02464	0.6
93.03473	3.9
95.01382	1.5
96.96011	2.1
101.02463	2.0
107.01390	1.2
108.02189	36.6
109.02979	19.1
111.00895	1.1
113.02451	1.6
117.03488	4.2
119.05025	1.0
119.17444	0.6
121.02958	1.8
123.00888	2.5
123.04530	3.2
124.01698	1.3
125.02454	2.6
129.01970	0.7
133.02980	1.1
134.03745	0.8
134.69472	0.6
135.00880	1.3
135.04552	3.0
137.02441	2.2
149.02484	0.8
149.99632	0.7
151.00345	2.2
151.04005	1.6
152.01166	45.7
153.01965	20.7
159.04535	1.2
161.02402	1.9
161.04561	0.6
163.04082	3.0
165.01941	1.0
167.03523	9.4
168.00653	0.7
173.04608	3.6
173.05855	0.6
177.01929	0.9
179.03479	1.7
181.05118	0.8
187.07671	1.4
191.05641	10.2
195.02899	1.1
195.06737	0.7
197.04494	0.7
202.06410	0.6
208.57990	0.8
239.07178	1.0
268.03870	0.7
269.04407	0.9
275.09302	1.9
281.04495	1.2
283.06122	18.5
284.06528	1.9
293.04456	0.8
295.06274	1.1
296.05490	1.1
297.06396	2.9
311.05511	28.0
312.05893	4.1
315.07208	2.9
323.05557	1.8
327.05103	2.5
341.06741	2.4
353.08789	0.7
421.11469	1.3
431.09863	37.1
432.10150	4.3
433.07797	1.1
447.09351	2.3
449.14615	1.6
465.10391	100.0
466.10687	9.3
897.23450	1.2
926.23596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36816	7.2
69.37225	2.4
71.01382	3.0
71.89190	0.8
72.99303	1.0
73.02956	1.3
79.79361	0.9
85.02977	1.5
87.95760	1.0
93.03456	1.8
96.63309	0.9
96.96040	10.9
97.02946	1.0
98.19868	2.1
110.36326	1.0
113.02460	1.8
119.05021	2.6
132.02185	29.1
133.02942	1.9
134.03761	12.8
149.06111	1.8
160.01677	100.0
161.02281	6.0
163.04025	2.6
173.04448	1.9
175.04021	76.2
176.04361	3.3
191.05617	3.0
193.05063	8.9
271.02444	1.2
299.02032	3.1
314.04379	4.6
317.34674	1.1
329.06699	7.4
330.06815	1.0
392.34146	1.1
400.40485	1.0
667.19183	1.8
685.19611	2.5
777.22125	1.5
801.22388	6.1
819.23541	4.6
861.24628	30.3
862.24652	6.6
897.26813	1.3
897.43652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.8
69.30874	0.5
71.01393	0.9
77.03961	0.5
81.03455	0.7
83.35452	0.6
85.02954	1.5
87.00849	0.6
90.90427	0.5
93.03463	4.8
96.96022	0.9
97.02946	1.0
98.19827	1.0
102.42764	0.5
105.03464	0.7
107.01389	1.0
109.02971	3.1
111.00912	0.5
111.04499	0.9
119.05049	1.5
121.02957	2.2
123.00906	0.6
125.02451	1.4
133.02975	17.8
134.03331	1.9
135.04523	1.9
137.02464	1.7
147.04523	1.2
149.02434	2.1
151.00334	0.6
151.04024	0.8
155.03510	1.4
158.03650	0.8
159.04504	1.4
161.02400	1.1
162.02887	0.7
163.00458	2.5
163.04117	3.8
164.04410	0.7
165.01962	2.8
171.04544	0.9
173.04579	11.8
173.06000	0.9
175.04001	3.4
176.04321	1.0
177.01945	1.2
187.04004	0.9
187.07683	5.1
191.03571	2.2
191.05621	8.7
193.01476	1.6
195.98524	0.6
197.04138	0.7
197.05952	0.6
199.04041	1.3
201.01996	1.4
202.06413	1.5
203.03542	0.8
203.10750	0.6
213.05582	1.2
213.09245	1.0
214.05876	0.5
215.07193	1.0
217.05048	0.7
225.05556	0.7
228.03966	0.8
229.01428	0.6
231.06561	1.0
231.10298	4.4
240.04295	1.3
241.05206	0.7
242.02287	0.8
253.05029	1.0
255.06554	0.9
256.07114	0.6
257.04480	0.7
257.08209	2.0
269.04626	1.1
270.04861	0.7
275.06546	0.9
275.09317	12.0
276.09583	0.6
282.04822	0.6
284.03265	8.6
285.03912	11.4
286.04236	3.7
287.04590	0.8
297.04092	14.8
298.04639	13.8
299.05539	21.4
300.05942	8.1
301.06140	3.6
309.03992	0.8
311.05594	2.8
312.05774	1.5
313.06003	0.7
314.49060	0.6
325.03387	0.9
327.05124	100.0
328.05472	43.9
329.05692	22.2
330.06006	1.0
339.05133	2.8
340.05600	1.3
341.06110	2.0
357.06171	24.2
358.06491	12.0
359.06750	6.7
369.06161	1.9
370.06644	1.5
371.06744	0.7
380.57413	0.6
393.06735	0.6
447.09375	81.1
448.09692	44.9
449.09879	30.5
449.14850	8.0
450.09979	1.6
450.15076	1.5
709.12085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01357	24.2
71.01407	12.1
75.00886	7.6
96.96028	12.8
99.00916	8.9
104.06875	6.5
115.04407	7.2
157.35086	6.6
164.10382	6.9
172.80930	7.0
173.04605	8.7
207.10239	21.7
212.82988	7.1
225.11417	33.9
250.21640	9.2
255.23331	34.9
291.37881	8.1
397.13681	12.9
512.62634	7.9
525.34821	7.3
623.25470	8.4
656.68372	9.6
861.48865	100.0
862.49396	16.8
897.46686	86.6
898.47638	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.5
69.27695	1.0
69.65035	0.9
71.01389	100.0
72.00388	1.3
72.99310	2.6
73.02947	5.3
75.00871	3.6
76.15102	1.0
78.95908	1.1
83.01382	2.4
83.05042	1.8
84.06473	1.0
85.02958	7.1
87.00886	5.7
87.13557	1.0
89.02453	15.5
91.03986	1.2
95.01402	1.7
95.38310	1.0
97.02966	5.0
99.00883	2.9
100.09422	1.1
101.02473	15.0
109.06591	4.1
111.04434	1.2
113.02451	9.9
119.03523	5.8
125.02448	6.0
125.09698	2.4
127.11305	1.3
135.08264	1.0
139.04041	1.2
143.03561	2.4
158.19073	0.9
161.04546	3.8
163.11253	3.2
171.10281	50.9
172.10664	2.8
174.65646	1.0
179.05629	3.4
181.12286	1.6
199.09795	9.0
199.13455	1.8
201.11308	9.5
207.10275	13.4
221.06670	2.1
221.11855	4.6
225.11372	10.9
235.08269	5.0
239.12874	1.9
243.12340	1.6
245.06705	1.2
253.09369	1.4
255.23320	62.8
256.23517	2.7
277.21741	2.5
287.07764	2.2
305.08838	1.6
379.12512	5.5
397.13553	35.7
398.13757	2.1
415.14606	10.6
453.57355	1.3
531.12402	1.2
653.37714	1.3
685.70862	1.2
835.46283	1.9
861.48352	7.7
862.49017	3.4
864.44855	1.2
879.48993	1.6
897.50507	10.5
898.49072	1.7
933.72241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	2.6
69.03468	1.3
69.42638	6.0
71.01411	3.7
71.97570	0.8
77.03957	1.4
79.01894	1.0
81.03503	1.3
83.05051	1.2
85.02966	13.3
87.00887	2.3
93.03468	19.4
95.01413	0.7
96.96017	2.2
97.06609	0.8
101.02460	1.0
105.03451	1.4
108.02191	3.9
109.03008	3.8
111.00893	2.5
111.04543	4.8
113.02473	1.4
117.03476	8.5
121.02976	2.3
129.01901	1.4
133.02924	2.3
134.02731	1.3
134.03758	27.0
135.04608	8.5
136.01643	4.0
136.59999	0.6
137.02470	4.8
147.03029	1.6
147.04564	1.1
149.02472	1.5
151.04015	1.0
152.01198	3.1
153.01836	0.8
155.03523	3.1
159.04498	1.8
161.02472	2.8
163.04050	3.0
167.03580	1.2
173.04570	51.8
174.04837	0.9
174.06886	1.8
175.03886	0.8
177.01921	2.9
178.02727	7.7
179.03540	2.3
187.07663	3.4
190.02760	1.0
191.01978	7.7
191.03654	1.4
191.05624	20.2
193.01321	0.8
193.05034	0.9
197.06053	0.8
202.06435	1.3
203.10764	2.0
209.03033	1.6
213.09210	1.8
215.07219	0.9
231.10266	5.3
239.07175	0.7
253.05002	0.8
257.08334	1.8
268.03802	2.0
269.04544	1.5
275.09268	10.4
281.04474	2.6
283.06155	39.6
284.06604	3.9
293.04858	1.6
293.10358	35.1
294.10730	2.0
295.06198	1.3
311.05646	71.2
312.06021	6.2
323.05698	3.0
341.06750	7.0
383.07687	3.0
431.09872	100.0
432.10214	10.9
449.14621	16.9
450.15164	2.1
465.10446	3.2
466.10760	2.7
467.15857	31.8
468.15717	2.4
534.99652	1.0
557.13159	2.9
644.39948	0.8
745.50055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.8
69.24272	4.5
71.01385	16.3
71.05014	1.6
72.99303	2.0
73.02966	2.5
75.00863	1.9
80.96515	0.7
81.03462	0.6
83.01383	1.9
83.05001	0.4
85.02944	3.5
87.00886	5.2
89.02451	8.2
95.01385	1.3
96.96017	0.8
97.02966	2.7
97.06586	0.8
99.00858	0.9
101.02451	9.1
109.02954	0.5
111.00877	0.6
111.04514	0.7
113.02467	4.4
115.00373	3.8
119.03482	1.5
123.08161	1.6
125.02455	1.9
125.09742	1.2
127.03986	0.6
127.75912	0.5
143.03473	0.8
151.11264	1.6
153.12796	1.1
161.04547	1.3
161.09718	2.0
169.12347	3.1
171.10262	1.9
175.02504	8.3
179.05693	1.1
179.10837	3.6
197.11841	56.7
198.12169	2.8
211.13503	2.3
221.06645	2.3
223.09740	2.9
235.08168	0.9
241.10773	3.4
241.14471	1.8
251.12906	0.6
253.09152	1.2
263.12888	0.7
277.21738	25.6
278.22040	2.1
295.22705	0.7
387.67801	0.5
397.08536	0.6
397.13336	3.8
415.14832	0.9
590.42584	0.5
621.23267	0.6
634.33704	0.5
737.44965	0.9
781.44073	1.2
881.45984	0.7
883.31201	0.5
899.46515	100.0
900.46802	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31340	0.8
69.03463	4.9
70.01385	2.7
71.01388	15.5
71.05009	1.5
72.99330	1.4
73.02955	1.9
75.00877	2.0
78.95900	1.6
80.96532	1.4
83.01389	1.4
83.05059	0.8
85.02941	2.8
87.00877	2.9
89.02452	9.2
96.96007	1.0
97.02932	3.0
97.06573	0.9
101.02453	8.0
111.04562	0.8
113.02470	4.2
115.00377	2.2
119.03530	2.1
123.08204	1.4
125.02428	1.9
125.09705	1.9
151.11308	2.3
152.99609	1.3
153.12851	1.0
161.04584	1.1
161.09705	4.3
169.12360	1.4
171.10274	1.4
175.02461	2.3
179.10803	4.5
190.06979	0.9
192.78166	0.8
197.11845	39.0
198.12254	1.1
204.46378	0.8
211.13353	1.5
221.06616	1.1
223.09781	1.0
235.08269	1.1
241.10645	1.1
265.55106	0.8
277.21756	35.8
278.22107	3.6
318.71265	0.8
357.39795	0.8
397.13492	3.3
415.14664	1.2
781.43756	1.8
899.46552	100.0
900.46857	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	901.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60271	0.2
67.01890	0.5
68.99823	0.5
69.03460	0.4
71.01396	6.4
72.99321	2.1
73.02949	0.9
75.00886	8.6
83.01394	0.5
84.02161	0.3
85.02962	11.1
87.00884	2.9
89.02451	1.7
93.03465	1.0
95.01413	3.1
96.96043	0.6
98.16869	0.2
98.19920	0.5
99.00900	5.1
101.06095	58.4
102.06452	1.3
103.00403	0.8
104.69077	0.2
109.02978	0.6
111.00924	0.5
111.04530	0.5
113.02466	11.7
115.00436	1.2
117.01961	1.8
129.01955	1.4
133.02966	1.0
135.04530	1.2
137.02467	0.3
139.00339	0.3
157.01382	0.4
159.04634	0.3
161.02460	0.3
173.04617	1.3
175.02496	0.9
177.01895	0.3
179.03496	0.7
183.32262	0.3
189.04141	0.2
191.02040	0.6
191.05630	3.2
196.05438	0.3
201.71535	0.2
205.07140	0.4
209.03116	0.5
231.05122	1.5
249.06178	10.0
250.06424	0.4
267.07159	0.7
282.88931	0.3
291.10834	0.6
295.05789	0.3
296.06808	0.4
333.11926	1.0
339.08640	0.4
351.12991	100.0
352.13370	5.5
353.08951	0.2
368.05542	0.4
381.06216	0.3
383.07867	1.4
421.61844	0.3
549.16467	0.5
557.12885	0.5
622.50360	0.2
679.69739	0.3
901.26318	0.4
902.25079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47409	0.6
69.03459	1.6
70.09621	0.6
71.01390	19.6
71.05025	2.8
72.99323	2.0
73.02950	3.1
79.95749	1.0
80.96531	3.3
81.03460	1.3
83.01389	1.5
83.04997	0.8
84.03671	0.6
85.02959	5.0
87.00896	3.2
89.02460	11.2
92.12719	0.7
94.77502	0.7
94.98113	1.0
95.01400	1.6
95.05064	0.8
96.96026	1.2
97.02955	7.0
97.06599	2.0
98.21108	0.7
99.00890	11.0
101.02453	10.4
109.06625	1.7
110.03776	1.0
113.02463	5.6
116.97260	0.8
119.03535	2.0
123.08163	1.1
125.02438	3.7
125.09737	4.4
127.11287	2.1
135.08199	1.2
142.02750	1.1
143.03534	1.6
161.04564	2.3
163.11316	7.1
171.10301	9.8
179.05611	1.7
179.10805	1.4
181.12360	15.0
182.12691	0.8
194.59355	0.7
199.13412	14.1
201.11354	4.3
207.10271	32.6
208.10596	1.8
215.77104	0.7
221.06769	3.4
225.11345	50.6
226.11679	2.7
235.08244	1.9
243.12379	14.7
253.09380	0.8
277.21747	29.4
278.22070	2.3
305.08856	0.8
379.12503	2.5
387.29019	2.3
397.13565	10.4
415.14545	1.6
441.90353	0.7
581.38239	0.9
605.24841	3.5
623.25616	6.7
641.26862	0.8
769.07928	0.9
883.47095	13.7
884.47125	2.2
901.47986	100.0
902.48407	24.1
932.03345	0.8
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
69.03443	1.6
69.41879	7.6
71.01385	19.5
71.05012	2.7
72.99312	2.1
73.02952	3.0
79.95737	1.9
80.96518	6.2
83.01414	2.0
85.02963	5.4
87.00883	4.5
89.02450	12.7
96.96029	2.6
97.02973	6.7
97.06627	1.1
98.19933	2.1
99.00892	12.5
100.61732	1.2
101.02444	12.0
109.06582	3.1
110.03720	1.3
113.02491	6.1
116.92863	4.2
119.03508	2.8
123.08189	2.2
125.02438	4.7
125.09731	5.9
126.74123	0.9
127.11287	1.4
134.04724	1.0
135.08214	1.4
142.02722	1.3
143.03496	2.1
161.04529	1.2
161.09753	1.5
163.11299	7.3
171.10297	9.4
179.05611	2.0
181.12352	10.5
197.11845	1.7
198.30171	1.0
199.09723	1.7
199.13383	10.4
201.11281	5.6
207.10269	26.6
221.06760	2.0
225.00789	1.3
225.11337	36.3
226.11717	1.5
235.08194	3.4
243.12361	11.3
277.21738	45.2
277.24789	2.2
278.22092	3.7
306.10950	1.1
366.74841	1.0
379.12439	2.5
397.13498	14.4
415.14413	3.1
416.42194	1.1
430.43137	1.0
478.98004	1.2
483.39368	1.2
571.72137	1.2
605.24469	4.2
608.81439	1.0
623.25739	3.6
624.26343	1.1
883.47107	15.9
884.47888	2.6
901.47949	100.0
902.48132	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.2
69.73392	7.7
69.83720	1.3
71.01392	17.8
71.92825	1.3
73.02957	2.0
78.95905	2.1
79.95688	1.9
80.96527	5.7
85.02955	4.2
87.00877	2.5
89.02443	8.9
94.98090	2.2
95.01389	1.6
97.02942	3.6
99.00861	1.8
101.02447	5.4
113.02442	4.0
125.02433	2.3
125.09692	1.6
151.11287	1.7
153.12825	1.5
161.09680	2.2
168.48958	1.4
179.10774	4.6
197.11858	32.8
198.12126	1.4
207.10304	1.5
219.39275	1.4
223.09711	1.8
225.11365	2.1
235.08318	1.5
241.10782	1.5
277.21725	3.6
279.23303	41.7
280.23660	1.8
303.54788	1.4
397.13428	5.7
527.20056	1.3
901.47955	100.0
902.48376	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	5.5
69.03478	1.8
69.66587	1.5
69.66991	1.8
71.01396	5.8
72.99337	0.6
73.03014	0.6
81.03471	1.6
83.01414	1.0
83.05058	2.0
85.02968	10.4
87.00897	4.5
89.02476	0.8
93.03467	38.4
94.03835	1.1
95.01418	0.9
95.05090	0.8
96.96016	3.2
97.02979	1.1
98.20628	1.1
99.00912	0.7
99.04545	0.8
101.02475	1.2
105.03511	2.2
108.02208	1.3
109.02975	2.4
111.00881	3.4
111.04525	8.4
111.05206	0.6
113.02457	1.3
117.03487	1.0
119.03485	0.8
119.58372	0.6
121.03033	1.1
123.04546	0.8
125.02469	0.8
127.04028	2.7
129.01955	0.9
131.32970	0.6
133.02968	6.1
134.03763	7.7
135.00929	0.5
135.04578	5.9
137.02467	5.6
143.03506	1.1
145.03032	0.8
146.03751	0.7
149.02530	1.2
149.06139	0.9
150.03201	0.7
151.03987	1.1
153.01913	1.1
155.03526	5.8
158.03754	1.6
159.04507	2.4
160.01743	0.6
161.02437	1.6
161.06131	0.6
167.03531	1.1
172.05302	3.4
173.04567	100.0
174.03484	0.8
174.04898	3.7
174.06863	2.3
175.03979	1.2
175.07574	1.3
177.01941	1.2
178.02663	1.2
179.03503	2.5
187.04099	1.1
187.07674	11.8
188.07970	0.8
191.02068	2.9
191.05624	83.9
192.05966	3.1
193.04985	1.3
201.05592	0.8
202.06400	3.2
203.07033	0.8
203.10855	4.0
208.03749	0.6
209.03035	1.4
213.05826	0.9
213.09235	17.8
213.66125	0.6
214.09479	1.3
215.07103	3.2
223.06076	1.0
229.08694	0.8
231.06726	1.0
231.10278	23.6
232.10657	0.9
233.06612	1.3
234.83885	0.6
246.64767	0.7
257.08212	23.0
258.08624	1.3
275.09265	53.6
276.09680	3.3
301.07199	1.4
309.03699	0.6
311.05640	1.5
316.09293	0.8
327.05136	0.9
331.11847	1.8
353.08603	0.7
383.07593	1.6
431.13550	0.9
447.12582	0.9
448.12869	1.6
449.14572	59.2
450.14893	4.7
503.16730	2.5
504.16666	0.8
557.12775	1.4
583.11896	0.6
597.56879	0.7
646.00952	0.7
655.93677	0.8
901.27576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19231	0.4
65.71396	0.4
67.01895	4.3
69.03469	1.0
71.01392	3.9
71.55574	0.6
72.99317	0.6
73.02948	0.7
74.21731	0.4
81.03473	1.3
83.05036	1.2
85.02959	9.8
86.03300	0.4
87.00892	1.9
89.04002	0.6
91.05534	0.5
91.74841	0.4
93.03469	28.3
94.03809	1.0
99.04488	0.5
101.02485	0.9
107.05057	1.3
108.02167	0.6
109.02988	2.0
111.00902	2.5
111.04527	4.8
113.02473	1.3
116.17470	0.4
117.03497	0.7
121.02980	0.8
127.04008	1.8
129.02016	0.9
133.02971	2.2
134.03754	4.1
135.04538	68.2
136.04877	2.8
137.02464	6.6
149.06088	0.4
155.03529	4.9
161.02469	4.0
173.04559	100.0
174.04922	3.8
177.01971	0.4
179.03514	63.0
180.03833	2.3
191.02106	1.8
191.05624	58.2
192.05986	1.7
193.05029	0.8
197.04541	0.6
209.03030	0.6
232.08395	0.4
242.05846	1.1
256.95322	0.4
257.08035	0.5
271.05933	0.4
287.09262	1.6
295.15448	0.4
351.12918	0.5
353.08786	75.5
354.09161	5.1
355.09119	0.4
389.07434	1.0
389.12320	1.0
422.56522	0.4
551.16229	0.6
731.21539	0.5
905.26794	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	907.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94494	8.7
66.86026	7.8
70.33437	8.1
71.01385	33.5
71.56258	15.8
71.65455	9.8
73.02969	8.4
79.76586	7.8
80.96562	9.4
89.02439	24.9
96.96018	17.2
101.02441	17.1
113.02440	11.3
121.34628	8.5
125.02373	11.5
158.59756	9.4
161.04498	13.8
175.62357	9.7
179.05635	9.2
195.13849	11.5
201.11351	67.1
209.11809	76.7
213.15031	90.3
227.12875	15.5
277.21762	48.7
281.24820	58.2
379.12277	25.6
397.13528	100.0
415.14621	19.5
512.45764	8.5
611.29053	11.1
907.48102	48.1
908.48761	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	907.6493
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18670	0.1
67.01888	0.3
69.03460	0.3
69.43047	0.7
69.43465	0.3
71.01402	0.6
71.05010	0.2
71.79549	0.1
75.86678	0.1
81.03461	0.9
83.01383	0.3
83.05033	2.4
84.02142	0.2
85.02975	0.9
87.00875	0.2
93.03471	0.3
96.96030	0.6
97.06582	0.2
101.02458	0.3
108.02192	0.4
108.04558	0.1
109.02980	0.3
111.00911	0.2
113.02467	0.3
117.74651	0.1
119.05045	0.3
121.02979	0.2
125.02395	0.1
125.09714	1.5
127.11299	2.8
133.02982	0.2
134.03740	0.2
135.04515	0.3
137.02460	0.4
140.33743	0.1
149.02513	0.2
150.03284	0.2
151.04031	0.2
152.01140	0.4
153.01903	0.2
155.14401	0.6
163.11324	0.2
165.12839	0.6
167.14442	1.8
171.10307	2.4
173.04550	0.5
177.01874	0.2
179.03488	0.3
181.05101	0.3
183.13936	1.3
190.02725	0.2
191.05556	0.7
193.05089	0.2
193.12297	0.5
195.06529	0.2
205.05116	0.2
207.15053	0.2
209.11824	2.2
211.13412	7.2
212.13747	0.3
224.17732	0.3
225.16125	2.2
229.14455	100.0
230.14786	4.7
299.01987	0.2
309.21951	0.2
315.07309	0.2
327.04977	0.6
341.29129	0.3
367.27127	0.2
432.76880	0.2
433.31729	0.1
447.09058	0.3
450.34677	0.2
451.32843	1.3
491.12503	0.2
659.49268	0.4
677.49713	33.1
678.50031	5.7
907.30511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00301	0.6
67.01886	3.8
71.01382	4.4
71.56282	0.9
72.99316	5.0
73.02945	0.7
75.00873	1.2
77.16228	0.5
81.03474	1.5
83.01389	1.7
83.05035	1.6
85.02454	1.2
85.02958	19.4
87.00900	3.5
89.02475	0.6
93.03467	25.0
94.03840	0.8
96.96008	1.0
101.02439	1.3
105.03459	1.0
105.37204	0.7
109.02979	4.3
111.00890	3.0
111.04539	4.5
113.02460	1.2
115.04021	0.7
119.05029	1.2
121.02956	2.2
125.02457	1.8
125.46025	0.7
127.04063	1.5
128.03549	1.2
129.01956	2.3
133.02965	11.4
134.03688	2.2
135.04573	3.0
136.01656	2.8
137.02467	3.9
143.04630	1.9
146.03596	1.1
147.03018	1.4
147.04526	1.7
149.02492	1.3
151.03963	1.0
155.03493	3.1
156.03816	0.6
157.08904	0.6
158.03723	0.8
159.04489	1.8
161.02431	1.8
161.49629	0.7
163.00452	1.3
163.04063	3.1
165.01950	1.9
169.96785	0.6
172.05281	0.9
173.00914	1.7
173.04572	51.3
173.05942	2.1
174.04924	1.4
174.06778	1.1
175.04012	4.0
177.01935	1.0
177.09254	3.3
179.03535	1.2
187.04123	1.4
187.07674	10.1
189.05530	0.9
190.02763	0.7
190.06242	0.7
191.02048	8.4
191.03746	2.2
191.05623	58.9
192.05992	1.5
193.01399	1.9
199.04025	1.2
201.01869	1.1
201.05554	6.0
201.09286	0.7
202.06253	3.0
203.10811	3.1
205.08641	2.5
209.03055	9.8
211.03958	1.1
213.05589	1.2
213.09225	3.0
215.03410	0.9
215.07126	1.5
219.10097	0.8
225.05576	0.9
231.10307	11.7
240.04260	1.3
241.05070	1.5
249.11371	4.8
253.05083	0.8
255.02933	1.2
255.06511	1.0
257.04449	0.8
257.08200	5.2
269.04523	1.2
275.09286	16.1
276.09662	0.8
284.03278	10.4
285.04004	7.8
285.10815	0.6
293.10385	7.7
297.04059	16.2
298.04807	9.5
299.05621	19.9
300.05884	1.7
306.07614	3.9
311.05612	2.4
324.02853	0.7
325.03506	0.9
327.05118	98.5
328.05505	8.5
329.05838	1.0
339.05176	2.4
341.06705	1.3
357.06171	26.0
358.06537	2.3
366.79535	0.7
369.06210	2.5
393.06342	1.3
423.13101	2.4
447.09354	100.0
448.09689	10.7
449.08484	1.5
449.14624	30.9
450.14990	3.1
467.15689	63.6
467.21265	3.9
468.16174	6.1
470.86133	0.6
916.37616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76640	7.4
71.01381	13.5
74.80034	6.5
79.95746	7.5
80.96539	5.8
82.95461	6.2
87.00890	12.1
88.98774	11.2
89.02413	7.8
96.58454	5.6
96.96024	48.0
97.02952	7.4
99.00886	9.4
101.02422	10.5
102.49131	5.8
103.61532	5.9
115.00389	15.2
132.46307	6.1
163.11385	6.5
171.38083	5.6
174.01636	6.8
175.02477	25.6
176.89973	9.2
181.12399	11.4
207.10297	34.5
225.11353	58.6
243.12328	18.7
277.21805	48.5
397.13437	15.4
397.60614	6.3
605.24536	18.0
623.25525	33.8
625.35681	8.0
769.49335	6.3
883.46863	100.0
884.47705	14.3
919.44806	78.0
920.44757	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	919.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	23.9
71.56097	13.9
87.00895	23.7
88.98821	44.4
89.02456	14.3
91.43336	9.7
96.96031	75.8
112.98820	11.3
115.00419	52.5
128.23328	8.6
129.17233	10.9
137.51634	10.8
142.99901	15.1
174.01752	16.2
175.02507	100.0
181.84828	11.2
207.10324	24.0
211.13422	42.8
225.11340	25.8
277.21899	57.9
278.22217	10.9
310.12927	10.9
329.58044	10.2
397.13556	18.8
509.98257	11.1
605.24976	18.0
734.66809	10.1
883.47363	51.2
919.44855	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93182	2.7
71.01382	14.3
71.56438	4.6
79.95735	3.2
80.96525	7.4
85.02949	4.2
87.00908	3.4
89.02451	10.6
96.96014	7.1
97.02975	7.0
98.07464	3.0
99.00891	3.0
101.02440	10.4
107.55157	2.9
113.02407	3.4
125.02411	3.5
125.09736	3.1
126.34822	3.2
127.11269	5.3
151.91940	2.8
163.11292	4.9
171.10332	5.7
181.12346	3.1
199.13483	4.2
201.11336	40.5
207.10254	9.5
225.11278	12.1
243.12430	3.9
277.21747	37.9
278.22125	3.7
281.55853	2.9
293.21130	7.2
397.13602	7.9
398.44907	3.2
463.32016	3.2
508.42587	3.7
607.36932	17.4
625.38324	11.7
883.47003	7.2
901.48358	4.4
919.49048	100.0
920.49237	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	919.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99844	1.5
69.03446	1.5
70.17532	1.1
71.01387	100.0
72.99300	2.1
73.02949	4.4
75.00895	1.1
80.96511	1.5
81.03455	1.8
83.01391	3.1
85.02988	5.6
87.00874	5.7
89.02450	16.4
95.01369	2.1
97.02940	4.5
98.19911	3.9
99.00886	2.6
99.04546	1.0
101.02456	16.5
109.06577	6.2
111.04582	1.1
113.02458	8.4
119.03517	5.9
123.04597	1.1
125.02466	8.5
125.09724	2.4
127.11263	3.3
131.03479	1.3
143.03505	4.1
156.08002	0.9
161.04556	2.9
163.11263	3.0
171.10283	48.6
179.05573	3.9
181.12344	2.3
199.06068	1.0
199.09793	10.7
201.11337	15.6
207.10274	18.9
221.06653	1.1
225.11304	12.8
235.08357	5.9
243.12297	1.4
277.21738	65.0
278.22049	4.7
287.07657	1.5
305.08829	1.7
379.12354	4.2
397.08286	2.0
397.13528	34.8
398.13959	2.2
415.14679	10.4
496.85971	1.2
605.24640	1.5
623.25494	2.5
643.31110	1.2
750.46075	1.6
857.45294	1.8
883.47028	10.2
884.46478	2.4
887.78528	1.2
901.47144	1.8
919.48981	12.6
920.48401	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	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.6
71.01389	100.0
71.18713	2.3
73.02941	4.5
83.01395	3.7
83.05080	1.8
85.02972	5.8
87.00877	6.2
89.02454	22.4
96.96024	16.3
97.02958	4.7
99.00874	2.6
101.02454	17.6
109.06604	9.1
113.02460	9.5
114.79449	1.5
119.03529	7.2
125.02503	7.9
125.09750	3.8
127.11317	4.7
137.09740	3.2
143.03482	3.7
155.10808	1.8
161.04507	5.5
163.11269	6.1
167.22118	2.1
171.10295	59.4
179.05634	5.7
181.12389	1.9
199.09785	16.8
199.13487	1.7
201.11316	23.7
207.10278	25.2
221.06674	4.5
225.11330	23.0
235.08235	4.3
243.12433	2.3
265.14816	19.1
277.21732	56.7
278.22083	4.0
287.07745	1.9
324.30359	2.0
379.12576	3.6
397.13553	35.7
398.13907	2.1
415.14679	13.5
597.23907	3.3
605.24017	2.0
623.25793	6.3
624.25977	1.8
692.10614	1.8
857.44684	2.8
883.46588	12.5
884.48285	4.8
901.48059	2.1
919.49231	19.8
920.48865	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	1.6
69.42558	11.0
71.01393	100.0
72.99306	2.2
73.02947	4.7
81.03448	1.9
83.05025	1.8
85.02950	5.6
87.00885	8.6
89.02462	15.1
95.01382	3.7
96.95996	2.9
97.02958	4.5
98.20639	2.6
99.00874	2.7
101.02464	17.2
109.06583	7.7
113.02474	11.8
119.03498	5.1
125.02470	8.3
125.09698	3.9
126.87021	1.4
127.11291	4.0
130.55733	1.2
142.02823	1.3
143.03487	2.5
143.86163	1.2
149.74831	1.1
155.10715	2.5
161.04546	5.9
163.11249	4.5
171.10292	58.0
172.10576	1.7
179.05658	6.1
181.12321	3.9
195.50809	1.3
199.09772	13.8
199.13446	1.8
200.61748	1.3
201.11353	21.5
207.10268	24.3
214.52312	1.3
221.06557	3.0
225.11328	19.2
235.08229	3.7
243.12538	3.2
253.09447	1.9
260.76224	1.3
277.21738	57.7
278.22131	4.4
305.08820	1.6
355.85974	1.4
379.12473	5.1
397.13525	33.5
398.14319	1.7
415.14575	9.6
465.59686	1.4
579.23743	1.5
597.23846	2.8
605.24927	2.0
623.25568	4.3
741.17120	1.3
857.44958	2.0
858.46912	1.9
883.47028	10.8
884.47363	3.6
901.47876	3.4
905.16882	1.5
919.49017	14.2
920.50085	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	919.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23130	1.8
70.77171	3.9
71.01391	16.3
72.99312	2.2
73.02934	2.2
80.96521	7.0
87.00880	3.6
89.02462	9.5
93.48841	1.7
96.95998	4.4
97.02937	2.1
99.00887	5.2
101.02454	9.8
113.02454	4.2
119.03478	2.7
123.57616	1.5
125.02440	2.1
125.09730	5.3
127.11292	6.4
143.03432	2.2
156.11459	1.8
163.11238	2.7
164.31885	1.8
165.09264	2.2
168.22906	1.6
171.10263	3.1
179.05623	1.6
181.12328	5.4
181.13840	1.8
191.05450	1.5
199.09789	1.6
199.13432	6.3
201.11336	65.0
202.11667	2.6
207.10226	10.6
219.00163	1.5
221.06688	2.4
225.11357	20.5
243.12318	9.4
277.21756	19.9
397.13568	4.4
415.14771	2.5
524.66992	1.9
555.33435	1.9
623.25330	2.5
686.86993	1.8
699.78979	1.9
883.47443	8.8
901.48444	8.3
919.49030	100.0
920.49536	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	921.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.4
71.01385	1.6
79.01905	0.4
83.01418	0.6
85.02962	1.1
85.14818	0.3
87.00870	2.0
89.02456	0.9
93.03453	0.4
96.96054	0.4
98.19861	0.9
98.52143	0.3
101.02438	0.9
109.02959	1.3
111.00888	0.3
113.02424	0.4
119.03536	0.5
119.05038	0.5
121.02885	0.8
125.02476	0.6
133.02975	8.5
134.03770	0.5
135.00917	0.4
135.04520	1.3
137.02480	0.4
147.04498	0.4
149.02460	2.1
151.00441	0.4
151.04077	0.3
159.47046	0.3
161.02458	1.1
163.00401	1.5
163.04019	1.8
164.04776	1.1
165.01918	0.6
173.02441	0.3
175.04042	2.3
177.02055	0.7
177.05650	0.5
179.03412	0.4
181.05161	0.5
187.40225	0.3
190.02782	0.7
191.01993	0.4
191.03500	1.3
191.05559	1.0
193.01399	0.6
199.04015	0.8
201.01968	0.7
203.03517	0.7
205.05020	0.7
206.05699	0.7
209.02913	0.4
213.05574	0.5
221.08191	0.7
223.06125	2.2
225.05534	0.9
227.03540	0.3
237.07706	0.5
241.04958	0.4
253.05135	0.9
255.03078	0.6
255.06639	0.3
257.04593	0.8
265.07187	1.8
267.07245	4.2
269.04611	1.2
284.03281	4.0
285.04077	10.3
286.04404	0.9
297.04062	14.7
298.04794	11.0
298.14127	0.4
299.05597	7.8
300.05881	0.4
309.04236	0.4
311.05594	3.6
324.02802	1.2
325.03519	1.0
325.09781	0.5
327.05115	42.2
328.05411	3.0
337.03531	0.4
339.05130	4.6
341.06644	0.7
357.06192	34.8
358.06363	2.4
369.06290	2.4
370.06540	0.4
381.06253	0.4
383.07831	0.3
387.07388	0.5
387.16486	2.4
399.07123	0.8
411.07254	0.5
429.08228	3.8
447.09354	100.0
448.09650	7.6
451.64359	0.4
473.13040	12.2
474.13275	0.6
549.51111	0.4
741.23169	0.3
751.66693	0.4
888.10638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	1.0
68.99794	0.7
69.03456	1.0
69.33068	0.3
69.73315	1.8
71.01386	12.2
72.99316	3.0
73.02959	0.8
75.00879	9.4
76.47590	0.3
83.01382	1.0
85.02958	14.7
87.00874	4.9
89.02455	3.9
91.04003	0.5
91.05014	0.6
91.05543	7.2
93.03465	1.8
95.01392	3.4
96.96016	0.8
99.00887	5.0
101.02448	0.4
103.00407	1.6
109.02938	0.7
109.33381	0.3
111.00861	0.6
113.02457	18.6
114.02770	0.4
115.00388	1.2
117.01940	1.4
117.03469	2.4
119.05093	0.3
121.02955	0.5
129.01938	1.4
131.03479	0.4
133.02945	1.7
135.04529	5.1
137.02444	1.8
157.01450	0.7
161.02425	0.3
163.04002	0.4
164.04726	0.4
165.01950	0.4
169.48618	0.3
173.04616	0.6
175.02467	1.1
175.03957	0.8
191.01959	0.7
191.05640	1.8
205.07268	0.6
207.05089	1.2
209.03069	0.4
231.05083	1.3
249.06168	20.3
250.06584	0.5
267.07227	53.9
268.07507	2.3
273.94009	0.4
284.03354	1.0
285.03928	0.5
297.04080	2.0
298.04803	0.9
299.05655	2.2
327.05112	10.3
328.05374	1.0
339.05084	0.6
357.06076	2.7
373.09238	0.9
385.11429	100.0
386.11780	7.0
387.09296	0.6
447.09384	10.8
448.09741	1.2
453.14182	0.3
473.13037	1.0
479.28604	0.3
511.75778	0.4
763.45947	0.4
778.64661	0.4
896.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56499	6.2
71.01395	51.0
72.01731	2.6
73.02942	5.1
78.95911	2.7
80.96520	3.1
82.95432	5.4
83.01413	1.9
83.05032	3.7
85.02961	4.2
87.00887	4.4
89.02462	17.1
96.96028	7.8
97.02943	2.9
98.20283	3.6
101.02465	17.1
109.06647	2.3
113.02447	10.0
116.92860	2.2
119.03503	4.9
125.02438	6.6
135.08110	2.1
142.81323	1.9
143.03558	3.7
149.34053	1.8
152.99602	4.8
161.04605	5.0
163.11290	4.9
171.10304	23.0
171.99367	1.8
172.10661	2.9
179.05629	8.7
199.09792	5.9
201.11267	9.2
207.10269	7.0
209.11844	100.0
210.12172	3.8
221.06592	3.1
225.11349	6.8
227.12895	24.4
235.08241	7.3
277.21729	51.2
278.22153	4.9
279.23196	15.6
287.07739	2.3
305.08871	2.6
306.78671	2.3
323.09821	2.7
350.49680	2.1
356.47284	2.1
379.12543	14.9
397.13531	67.9
398.13971	5.6
415.14587	15.5
575.50421	2.4
589.24500	4.1
607.26068	10.0
657.34595	3.3
675.36646	4.1
867.48315	3.1
885.48309	4.0
921.46649	34.0
922.46606	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	921.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	49.2
71.55896	4.2
71.81554	2.8
83.01347	3.0
83.05055	3.0
85.02953	7.8
87.00864	4.8
89.02461	18.2
96.96040	5.8
97.02958	3.4
98.61672	2.8
101.02463	15.6
113.02457	7.8
116.92953	3.1
119.03535	6.1
125.02477	4.7
136.30066	3.1
149.52977	2.7
161.04608	5.6
163.11415	3.2
163.93456	3.0
171.10284	23.1
179.05696	6.2
199.09850	3.0
201.11383	4.8
206.80901	2.8
207.10289	6.5
209.09874	6.3
209.11848	100.0
210.12234	3.1
225.11299	7.6
226.05902	2.8
227.12950	26.2
235.08199	7.5
272.35828	2.8
277.21765	61.6
278.22110	5.5
279.23367	21.9
280.23755	4.2
305.08737	3.2
309.86295	2.9
379.12524	14.6
397.13519	78.3
398.14084	6.1
415.14581	17.0
433.85248	4.0
466.42542	2.9
589.24921	5.1
675.37177	3.3
777.30670	3.2
894.84399	3.4
921.46692	32.7
922.47205	6.1
924.98273	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	921.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01364	2.7
71.01393	16.0
71.18860	4.4
73.02975	3.3
81.03475	2.5
85.02956	4.1
87.00860	5.1
89.02459	6.0
96.96030	7.8
97.02972	7.9
99.00887	15.0
101.02456	7.9
113.02428	5.7
116.92874	4.7
116.95060	2.0
125.02442	3.6
125.09731	4.9
138.06670	2.0
163.11299	6.7
181.12387	16.3
207.10275	37.8
225.11354	59.0
235.08275	2.3
243.12360	20.5
243.19435	2.2
255.23305	48.8
256.23599	4.0
332.77994	2.2
346.02829	2.3
397.13516	7.9
412.53247	2.1
458.25931	2.4
605.24707	15.4
606.24341	3.1
623.25641	6.2
624.26569	2.8
657.65228	2.2
861.48541	100.0
862.48773	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	924.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15560	3.0
71.79079	1.5
73.02964	1.7
86.66784	1.6
92.44585	1.6
93.03463	3.1
96.96025	5.3
101.02442	2.1
119.05082	2.5
132.02179	27.0
133.02979	2.4
134.03767	12.3
137.02515	2.5
143.66660	1.5
145.03052	1.9
149.06119	3.5
160.01672	100.0
161.02287	6.3
163.04036	2.9
175.04012	91.3
176.04413	2.2
193.05069	11.0
225.46010	1.5
225.63440	1.4
233.24193	1.7
348.33990	1.7
382.59363	1.7
583.03540	1.7
643.18585	1.7
695.44897	1.8
801.22247	6.2
819.23810	6.3
861.24707	38.0
862.24823	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	927.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	2.6
71.56475	0.6
72.99309	0.6
77.03986	0.6
79.01907	0.7
81.03448	0.7
83.01388	1.3
85.02962	2.1
85.20085	0.4
85.40500	0.5
87.00873	0.8
89.00349	0.5
92.11383	0.4
93.03463	1.9
95.01387	1.3
96.96006	1.5
99.00858	0.8
101.02444	1.5
104.90520	0.5
107.01400	2.3
108.02187	35.3
109.02986	13.3
111.00871	1.4
113.02444	1.3
117.03474	3.5
120.99719	0.6
121.02988	2.9
123.00903	3.8
123.04556	0.6
124.01687	0.7
125.02396	0.9
127.00374	1.2
134.03751	0.6
135.00883	1.6
135.04501	1.8
136.98804	1.2
137.02449	3.0
138.03185	0.6
139.00352	1.3
139.04033	2.4
140.01169	0.5
141.81334	0.4
147.04567	0.5
149.02480	1.3
150.03259	0.5
151.04024	0.6
152.01166	36.5
153.01968	10.7
153.05565	1.7
154.02730	0.8
155.03568	0.6
161.02463	1.3
161.04697	0.5
163.04034	2.2
165.01941	1.0
166.99823	1.0
167.03506	0.6
168.00626	1.5
169.01398	0.8
173.04556	1.1
179.03502	1.2
181.01424	1.4
182.02237	3.6
183.03000	9.2
191.03558	0.6
191.05655	1.2
193.05128	0.6
197.04584	5.9
197.06256	0.8
198.89938	0.5
268.03784	1.3
269.04514	0.8
281.04486	0.9
282.05066	1.0
283.06174	20.9
284.06537	1.5
293.04617	1.0
311.05634	33.9
312.05884	2.2
315.07175	2.4
316.07376	0.6
323.05682	1.3
326.06454	0.9
327.07358	3.9
341.06674	2.0
341.09296	0.8
376.47037	0.5
431.09854	44.0
432.10260	4.9
451.12408	1.0
463.08780	1.6
495.11490	100.0
496.11823	10.8
631.75616	0.5
705.55170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53956	1.0
96.12437	0.8
109.47817	1.0
115.02526	6.3
117.00472	5.8
117.01183	1.0
117.02271	1.4
119.00203	1.1
120.15742	0.9
122.07581	1.0
130.50299	1.0
134.69286	0.9
136.94025	1.5
144.39088	0.9
154.80479	0.9
157.03571	2.7
159.01506	82.9
160.01636	13.7
161.01218	12.4
164.82643	0.9
178.95061	6.5
201.02573	36.6
202.02745	7.1
203.02393	3.9
217.00334	4.0
219.41452	0.9
259.01520	2.3
261.01538	1.5
283.01697	1.5
294.93088	1.8
301.02670	100.0
301.99442	2.0
302.02829	38.4
302.06238	2.3
303.02481	32.8
304.02646	1.9
306.33344	1.1
306.44666	1.0
317.00449	2.3
318.00659	2.0
319.00098	1.6
320.96204	3.9
338.93808	1.1
343.03644	5.8
344.04202	1.1
345.03635	2.2
359.01602	3.6
360.01767	2.3
361.01590	2.7
401.02814	3.3
402.02899	1.6
403.02365	2.7
443.03888	14.9
444.04065	9.6
445.03659	12.0
446.03955	1.7
502.95374	2.1
503.95441	1.2
504.95193	2.0
582.93408	1.1
619.12659	1.0
662.05536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	13.9
71.55968	1.4
72.99341	1.2
73.02944	2.8
75.00877	1.4
83.01402	1.9
85.02966	4.0
87.00880	4.7
89.02449	12.4
96.96018	5.0
97.02923	3.0
98.51084	1.3
101.02451	11.0
101.94234	1.4
105.01896	1.3
106.58508	1.3
113.02459	5.4
119.03487	3.0
125.02442	4.3
138.87523	1.4
143.03552	1.8
161.04518	2.8
179.05659	3.1
183.13885	4.9
211.13416	100.0
212.13704	4.3
235.08173	5.7
277.18893	2.8
277.21756	46.4
278.22137	3.2
287.07635	1.9
295.82037	1.5
305.08633	3.2
309.00201	1.5
379.12427	10.1
397.13504	35.4
415.14606	7.4
434.25974	1.5
591.26770	7.0
609.28131	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	931.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06908	25.4
71.01389	16.7
73.62073	6.5
89.02469	14.4
97.84864	8.5
101.02460	11.1
120.48653	6.6
125.02448	7.2
209.10139	12.4
209.11865	100.0
213.14977	10.4
227.12920	20.1
255.23280	70.0
301.49173	7.1
379.12366	22.9
397.13519	75.3
415.14496	12.4
573.69714	7.9
579.75623	7.7
589.25238	11.1
607.26874	8.3
653.37482	18.9
931.50494	52.7
932.50378	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	931.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	12.3
71.55925	1.8
71.56294	1.7
80.96520	2.3
85.02950	4.3
87.00874	3.7
89.02465	10.7
96.96030	14.9
97.02910	1.6
97.60111	1.3
101.01883	1.3
101.02467	9.5
112.07378	1.2
113.02451	4.4
113.49657	1.2
119.03522	3.2
125.02440	4.6
143.03494	1.3
157.67151	1.4
161.04489	2.0
177.15018	1.3
179.05634	3.2
183.13934	10.2
189.37294	1.3
191.05618	1.5
195.13936	11.9
198.57927	1.5
213.14977	100.0
214.15253	3.6
235.08215	5.3
243.18176	1.6
249.35912	1.5
253.09348	1.9
255.23337	11.1
259.08130	1.4
277.21759	41.6
278.22086	2.9
305.08817	2.0
323.09851	1.6
379.12564	6.7
397.13544	38.2
398.13687	1.9
415.14624	11.8
483.27066	6.1
593.27808	1.8
611.29138	2.1
834.44781	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	935.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94611	1.0
71.01395	4.7
75.00874	1.4
85.02956	8.0
87.00895	4.9
88.46363	0.8
89.02450	1.4
91.05560	1.5
93.03477	5.0
97.02959	1.0
99.00884	1.7
101.02438	1.7
108.76352	0.9
109.02974	3.2
111.00928	0.8
113.02505	4.5
113.03143	0.9
119.05005	1.0
121.02957	2.0
123.04532	1.0
125.02471	3.0
125.06117	1.4
133.02963	12.6
135.04527	5.2
137.02458	7.0
137.99615	1.0
138.47813	0.8
143.04774	1.1
149.02472	2.0
150.03271	1.3
151.04031	1.4
153.01961	29.7
161.02419	1.4
161.04546	1.7
163.00372	1.8
163.04039	3.2
164.04785	1.3
165.01938	1.4
165.05562	1.5
168.04294	34.5
173.04547	3.3
175.04015	3.8
175.20549	0.9
179.03534	1.6
183.06644	27.5
184.06998	1.0
190.02734	3.0
191.01955	1.2
191.03537	2.2
191.05627	4.9
193.01385	1.5
199.03993	1.7
201.01962	2.0
203.03613	1.1
205.05092	1.8
211.03867	0.9
213.05554	1.6
241.05115	1.2
243.03136	0.9
249.06180	3.7
253.04779	1.3
255.06607	1.3
257.04504	1.4
267.07199	6.2
269.04581	1.1
282.05225	0.9
284.03241	8.0
285.03992	9.1
287.09326	1.9
297.01193	0.5
297.04041	17.6
298.04803	9.6
299.05594	19.3
300.05969	1.5
309.03735	1.0
309.09927	0.9
311.05582	3.8
313.07202	1.6
327.05115	100.0
328.05420	8.1
339.05240	5.9
341.06760	1.7
341.10419	1.5
357.06183	26.0
358.06641	2.0
369.06165	10.5
381.06039	1.1
383.08725	1.7
383.13516	24.7
384.13684	2.3
385.11606	10.3
386.11526	1.0
387.09482	2.0
399.07104	8.1
401.14548	8.6
411.06909	1.1
429.08118	1.8
441.08142	1.3
443.15564	13.8
444.16522	1.3
447.09363	85.2
448.09750	10.1
459.09274	2.5
487.14658	2.0
489.10031	1.2
503.17749	5.8
549.12543	34.9
550.12903	3.5
668.92645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14182	15.2
71.14517	10.8
83.53375	8.3
89.02435	11.6
96.96040	15.8
99.92619	18.6
101.02462	14.2
115.18025	9.1
116.92883	100.0
123.25466	9.1
141.78806	8.2
153.94284	7.9
168.77255	8.3
211.13460	74.6
216.21904	10.8
222.72733	9.1
277.21768	40.2
279.23273	9.8
328.55487	7.9
397.13474	31.1
591.26636	14.3
609.27063	16.6
675.36127	11.1
710.63434	10.1
869.48926	14.9
892.90045	9.5
937.49811	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04431	0.4
71.01400	3.2
71.01709	0.3
71.26456	0.7
73.02969	1.2
75.00903	0.5
83.01388	1.2
84.80939	0.4
85.02974	1.8
87.00898	1.3
88.98804	0.6
89.02451	0.8
93.03474	2.0
96.96031	4.4
97.02954	0.9
98.95691	0.4
99.00930	0.5
101.02454	2.9
105.03514	0.6
105.95286	0.5
108.02189	0.5
108.30148	0.4
109.02954	0.9
111.00942	0.8
113.02457	2.0
117.03498	1.0
119.05054	1.4
121.02984	1.0
123.00887	0.9
123.04532	0.6
124.01685	1.1
125.02461	2.4
132.02193	24.2
133.03035	2.1
134.03758	20.6
135.04599	2.9
137.02466	3.0
139.04041	0.5
145.02985	0.8
147.04512	1.0
149.02451	1.0
149.06126	4.6
149.99596	1.0
150.03200	1.1
151.04039	0.6
160.01680	91.4
161.02171	4.6
161.04602	0.6
163.03995	0.9
164.04790	0.6
165.01840	0.6
165.05589	0.6
168.00633	1.2
169.01440	0.5
169.06804	0.4
173.04588	2.0
175.04021	100.0
176.04372	4.4
177.01904	0.5
178.02756	3.8
179.03522	3.0
180.04163	0.6
181.05020	0.9
186.53821	0.4
190.02769	1.2
190.06389	0.5
190.37280	0.4
191.01877	0.6
191.05566	2.3
193.05072	17.8
194.05409	1.0
195.06656	0.9
202.02701	0.5
205.05040	1.4
225.07663	0.5
229.01381	0.5
235.06122	0.7
265.07129	1.6
275.09357	0.9
299.02139	0.4
299.05554	0.8
319.08179	1.1
337.09274	1.6
367.09985	0.5
409.21689	0.4
513.13849	1.6
523.13971	0.5
541.15460	1.9
559.16669	1.1
583.16656	2.6
601.17786	7.1
602.17798	0.8
659.55804	0.5
717.20404	3.7
735.21448	3.3
759.23376	0.5
777.22565	35.3
778.22772	5.8
939.31287	2.9
940.29962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	9.8
71.56049	5.3
73.02945	6.7
85.02945	7.7
87.92972	3.6
88.98797	6.4
96.96036	20.0
97.40594	3.0
101.02449	5.8
102.27250	3.8
106.06622	11.0
107.03747	3.2
108.02190	73.3
108.04503	3.7
109.02969	23.9
111.34938	3.3
116.92866	4.2
119.05018	9.0
121.02962	6.9
122.06128	20.9
123.00830	4.0
134.03879	4.1
134.06134	41.1
135.04547	5.7
137.02516	3.5
145.02951	3.9
152.01181	84.4
152.07268	21.2
153.01953	21.2
163.04039	12.2
165.01994	7.3
189.05368	3.8
190.02715	3.5
213.10457	5.3
237.10275	4.6
239.11913	6.1
254.53088	3.3
267.11609	5.8
285.12326	4.2
315.07245	11.3
343.13477	3.9
384.13422	10.2
398.15094	6.9
412.16650	6.2
464.69516	3.5
563.22620	3.9
583.19257	4.8
591.22272	7.8
631.58392	3.7
907.30634	100.0
908.30890	27.7
939.33173	74.8
939.48138	2.6
940.33380	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	939.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	13.9
72.99288	2.6
73.02940	3.9
85.02937	6.1
87.00861	4.2
89.02447	16.9
94.39615	2.3
95.01339	2.4
96.96009	11.8
98.16332	2.2
98.19943	7.5
101.02483	14.0
113.02456	9.1
119.03516	5.4
125.02435	5.8
125.09748	3.4
127.11251	2.8
161.04539	8.1
179.05617	10.4
201.11343	100.0
202.11620	3.6
209.11836	95.2
210.12169	6.2
227.12907	20.9
235.08189	8.6
277.21741	67.6
278.21991	3.5
300.05368	2.9
305.08585	5.1
350.28528	2.6
379.12442	23.4
397.08316	4.9
397.13513	90.1
398.13794	4.6
415.14594	20.5
551.19342	3.1
553.19452	6.1
581.24365	9.2
589.25134	8.2
599.25330	7.1
607.25818	9.7
627.20929	10.5
628.21216	8.5
629.20856	17.7
657.35193	8.0
675.35760	19.8
725.92523	3.8
754.03870	3.0
859.47009	14.8
867.46423	5.5
939.47180	32.7
940.48041	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	941.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30082	0.8
69.03456	1.4
70.94066	0.9
71.01382	4.5
71.21237	2.0
73.02956	1.3
74.02438	1.1
83.01376	1.5
84.64137	0.8
85.02934	4.4
85.85342	0.8
88.98802	1.6
89.02486	1.3
91.78770	0.7
93.03458	4.9
94.06668	2.3
95.01396	2.0
95.05002	0.9
96.96024	7.3
97.02950	1.1
97.19666	0.8
100.73507	0.9
104.05109	0.9
106.06631	2.7
107.03774	3.7
108.02188	83.1
109.02986	22.4
113.02470	1.9
119.05053	2.2
120.08185	1.3
121.02974	6.4
122.02395	0.9
122.06133	17.8
123.00906	2.5
125.02449	1.1
127.04070	0.9
128.37091	0.8
133.02965	1.6
133.39174	0.9
134.03725	1.2
134.06140	11.5
135.04512	3.0
137.02473	5.5
139.02783	1.6
145.02950	1.2
147.39224	0.9
148.04112	1.0
149.02446	2.2
150.03230	2.1
150.05637	2.1
151.00424	0.9
151.04004	3.0
152.01170	100.0
152.07185	21.3
153.01965	18.7
154.99667	0.8
161.02443	2.7
161.04652	1.1
163.03993	2.7
165.01913	7.1
165.05576	0.9
166.02699	1.3
169.50269	0.9
176.01128	1.3
177.01944	1.8
179.03494	2.1
181.01466	5.2
190.02623	1.1
190.04932	0.9
191.05675	1.2
195.03012	2.5
210.08025	0.9
211.12366	1.3
223.06384	1.1
223.08784	2.3
224.09518	1.3
237.04083	1.2
237.10428	2.3
239.11920	2.6
249.06702	1.2
249.10399	2.5
250.07553	1.9
251.08322	5.1
251.11870	2.7
252.01099	1.0
261.10251	1.3
263.08286	2.5
263.11798	1.0
264.09073	1.2
265.09845	11.9
267.11340	1.7
277.09927	4.5
278.10535	1.9
279.11417	4.0
280.12012	1.1
285.12378	1.6
291.07993	0.9
291.11346	2.4
295.10959	1.1
297.06168	2.9
304.08295	1.2
305.09418	5.0
307.10864	1.9
315.07272	9.9
318.38721	1.0
323.10382	2.0
325.11780	1.7
336.11374	0.9
349.12039	0.9
363.86005	0.9
386.15079	2.8
398.14828	1.0
402.18030	1.0
410.15045	0.9
416.16272	3.6
428.15833	1.1
430.17432	1.3
442.17767	1.0
443.18481	1.1
444.19519	1.4
448.18512	1.1
454.17712	1.0
456.15414	1.1
471.18124	3.7
585.21069	1.1
621.17303	2.1
743.23413	1.5
746.25830	2.3
787.25842	6.3
788.26202	1.2
818.27124	1.1
819.29828	1.9
888.75781	1.0
909.13989	2.2
909.32031	41.1
910.32666	10.1
941.34656	67.1
942.34985	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	943.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	16.1
71.05011	2.8
71.55933	1.7
73.02958	2.6
81.03455	2.0
82.78134	1.2
83.01389	3.3
83.05009	1.7
85.02961	5.1
87.00867	7.3
89.02476	7.4
95.01399	2.4
97.02956	10.6
97.06606	2.7
97.74048	1.2
99.00893	19.2
101.02449	10.4
102.99512	1.3
108.28197	1.3
109.06613	1.4
110.03729	1.6
113.02460	4.7
119.03513	1.8
125.02467	8.9
125.09736	6.6
142.02666	1.9
143.03485	2.7
161.04578	1.5
163.11304	10.8
181.12360	18.7
181.50606	1.2
182.12598	2.2
189.25629	1.2
199.13420	4.4
207.10283	56.6
208.10591	1.9
209.11942	2.2
225.11334	87.0
226.11717	3.9
235.08328	4.0
243.12384	26.4
244.12831	1.6
277.21744	55.1
278.21960	3.4
317.16055	3.4
379.12497	2.7
397.13708	7.6
415.14526	2.4
469.32617	1.5
483.22272	1.4
605.24481	28.4
606.24945	2.6
623.25574	29.0
624.25739	3.6
883.47052	100.0
884.47345	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	943.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	3.1
71.01396	19.4
71.05022	2.0
71.55914	2.6
71.56301	3.4
83.01392	2.3
85.02977	4.4
86.61125	2.1
87.00894	6.2
89.02464	10.4
96.96022	2.9
97.02975	9.5
99.00890	20.8
101.02447	10.4
108.84317	2.0
110.03722	2.3
111.37609	2.1
113.02469	4.3
119.03490	2.2
125.02462	6.1
125.09735	6.8
137.02428	2.8
163.11240	11.4
163.46809	2.1
179.05672	2.2
181.12329	19.4
199.13498	2.6
207.10265	54.7
210.09401	2.2
225.11334	80.8
226.11859	4.4
235.08362	2.3
243.12392	24.9
277.21765	62.6
278.22141	4.5
279.23752	2.4
300.99893	13.8
309.77328	2.5
379.12332	3.0
397.13510	11.6
605.24646	16.6
623.25439	9.4
883.47064	100.0
884.47632	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	949.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.5
68.99808	0.2
69.03438	0.2
69.38853	1.4
71.01391	6.9
72.99324	2.0
73.02937	0.6
75.00883	9.0
75.02807	0.2
83.01394	0.5
83.05065	0.2
84.02207	0.3
85.02964	10.8
86.03292	0.2
87.00883	3.8
89.02451	2.0
93.03486	0.9
95.01398	2.7
96.96021	0.4
99.00893	4.6
101.02434	0.4
101.06092	57.2
102.06408	1.2
103.00378	0.9
103.72399	0.2
109.02950	0.3
111.00893	0.8
111.04518	0.4
113.02464	11.3
115.00375	1.1
117.01957	1.7
125.02419	0.2
129.01973	1.2
131.03546	0.3
133.02965	0.3
134.03775	0.4
135.04533	0.7
137.02438	0.2
139.00404	0.2
149.02492	0.3
157.01445	0.4
159.04546	0.3
173.04585	0.9
175.02513	1.2
175.03923	0.4
179.03493	0.5
189.04123	0.2
191.01839	0.3
191.05659	2.0
201.94398	0.2
205.07248	0.2
223.07996	0.3
231.05081	1.6
249.06177	8.6
250.06433	0.4
267.07181	1.2
271.06116	0.4
272.07010	0.2
286.08298	0.3
291.10834	0.5
296.40723	0.2
301.10883	0.7
304.10040	0.2
333.11865	1.0
351.12985	100.0
352.13318	5.3
397.21793	0.2
520.06134	0.2
525.89172	0.2
792.81091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68640	0.4
69.03471	0.6
71.01389	15.6
71.55518	0.7
72.99319	0.7
73.02946	2.4
77.19759	0.4
77.62921	0.4
78.95901	0.6
81.03445	0.6
83.01386	2.2
85.02954	3.3
87.00887	3.2
89.02454	14.4
95.01385	1.6
96.96022	2.8
97.02966	3.0
99.00880	1.0
101.02457	12.0
111.04510	0.8
113.02473	4.9
113.09721	1.5
119.03506	3.3
125.02469	5.3
131.03542	0.8
135.03027	0.4
139.04062	0.7
143.03571	2.4
143.06180	0.5
149.04520	0.5
161.04578	3.1
179.05589	3.0
179.14412	0.9
195.13927	14.4
196.14223	0.5
209.11902	0.7
221.06682	0.7
235.08228	6.6
245.06628	0.6
253.09314	1.2
255.23322	36.3
256.23669	1.3
263.07742	0.6
277.21753	14.4
278.22046	1.1
287.07834	2.3
295.22815	100.0
296.23193	5.3
305.08694	2.3
310.50516	0.5
323.09616	0.7
362.33521	0.6
397.13550	64.3
398.13785	3.4
415.14618	18.4
416.15112	1.1
649.15814	0.5
653.37610	4.7
677.30408	0.5
777.31293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.6
71.01386	2.9
72.41819	0.4
72.99317	0.6
73.31503	0.3
75.00877	0.8
76.79789	0.3
81.95819	0.3
82.93790	0.3
83.01392	0.4
85.02960	4.3
85.87430	0.4
87.00868	0.9
89.02473	1.8
90.60695	0.4
90.93163	0.3
93.03472	3.0
95.01410	0.4
96.96024	0.7
99.00909	0.7
101.02470	1.0
109.02971	0.9
111.00879	0.9
111.04522	0.7
113.02461	1.0
121.02964	3.9
129.01994	0.4
133.02965	3.4
134.03754	1.3
135.04556	2.8
137.02455	0.6
147.04553	0.5
155.03552	0.4
161.02411	0.9
163.00375	1.1
163.04010	0.4
164.01085	0.3
165.01964	0.6
173.02350	0.5
173.04597	3.5
175.00485	0.7
175.03998	0.9
177.01930	0.4
179.03513	1.4
191.01970	1.0
191.05611	3.7
199.04030	0.5
201.01996	0.5
205.05113	0.4
209.03008	1.0
225.82045	0.3
227.03595	0.5
229.04961	0.4
239.03500	0.4
240.34962	0.3
241.05098	0.7
249.06197	2.6
253.05168	0.4
257.04575	0.4
265.04993	0.4
269.04587	0.7
270.05286	0.8
271.06131	1.0
281.04483	0.7
283.06262	0.5
284.03308	2.8
285.04062	4.8
286.08539	1.1
287.09219	1.0
295.05847	0.3
297.04044	7.0
298.04837	27.9
299.05502	5.5
300.06049	0.4
309.04068	9.8
310.04581	0.7
311.05606	2.6
313.03635	2.8
313.06995	0.7
313.10693	0.6
323.05551	0.5
325.03461	1.5
326.04404	1.6
327.05118	18.6
328.05487	1.0
330.03864	2.2
337.03757	0.5
338.04495	1.0
339.05136	4.6
341.06628	0.5
351.05280	1.1
353.03003	0.9
354.03534	0.4
357.06192	9.9
358.06506	0.6
367.10046	0.3
369.06351	3.3
371.09918	7.9
372.10214	0.9
373.09375	0.3
381.06155	1.1
384.78461	0.4
384.94543	0.3
399.07330	3.0
403.10110	0.4
411.07150	0.8
417.08322	6.5
418.08789	0.8
429.08392	3.5
459.09341	8.7
460.09732	0.7
489.10300	1.0
519.11871	0.4
579.13605	100.0
580.14001	11.6
615.20251	0.4
777.26263	0.8
849.97351	0.4
951.31763	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	959.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32042	0.6
71.01385	0.2
78.95905	0.6
79.95753	4.9
82.30413	0.1
87.00895	0.1
92.24148	0.1
96.96026	100.0
97.95423	0.1
97.95950	0.4
99.76894	0.1
113.02463	0.1
119.05071	0.1
125.79153	0.1
128.03598	0.1
134.03767	0.1
160.01653	0.5
164.04704	0.1
175.04047	0.4
181.05037	0.1
193.05072	0.1
234.99197	0.1
247.51634	0.1
275.99515	0.1
300.21530	0.1
418.29886	0.1
503.88318	0.1
861.25562	0.2
959.22229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55383	0.4
69.53911	1.8
69.54345	1.6
71.01395	3.0
73.02963	0.6
79.95798	0.5
83.01421	0.6
83.09433	0.6
85.02976	2.0
93.03475	9.0
93.66803	0.5
95.05050	0.5
96.96024	9.1
96.96593	0.7
98.20631	0.6
101.02457	1.2
106.22410	0.5
108.02171	3.4
109.92404	0.5
111.00913	0.5
111.04599	0.5
113.02452	1.4
119.05075	1.3
121.03020	1.6
123.04569	2.2
125.02473	0.8
130.04286	1.1
131.05084	1.5
133.02988	0.6
134.03793	3.5
135.04536	1.2
137.02484	2.2
141.55441	0.5
143.03352	0.6
143.05037	7.0
145.03004	1.6
149.02440	0.9
149.06107	1.9
150.03235	0.9
151.00420	0.5
152.01250	0.7
153.01909	0.8
155.05135	0.5
158.03781	2.3
159.04517	5.5
160.01680	1.5
161.02466	1.4
163.04004	1.0
164.04842	0.8
171.04562	2.4
173.04611	0.9
173.06117	0.9
174.03310	0.6
175.04094	0.9
176.04797	0.5
179.07213	0.5
187.04016	8.5
190.02824	2.3
191.05621	1.5
193.05106	0.6
193.06595	0.5
198.03252	1.1
199.04034	5.9
202.02803	0.9
205.05135	2.0
207.08195	1.9
214.02762	0.5
217.82678	0.5
221.06221	0.8
223.06294	0.6
224.47565	0.5
226.02701	3.3
227.03526	1.5
234.07050	0.7
235.07666	6.0
236.08443	5.2
242.02188	1.2
243.02986	9.5
245.06151	0.8
246.06760	0.7
247.07619	2.7
248.08427	2.1
249.05403	0.9
249.09140	0.7
263.07111	10.0
264.07925	15.4
265.08456	0.7
270.01785	7.5
271.02481	19.3
272.02829	0.9
274.01187	0.9
279.10281	10.4
280.10571	0.8
282.05389	0.7
283.78003	0.6
284.03146	0.8
285.04068	21.1
286.04431	0.9
297.04004	0.8
299.02002	47.2
300.02606	5.4
308.06931	0.7
309.04153	1.2
312.02814	1.2
313.00800	0.6
313.03564	28.0
314.04349	45.9
315.05075	9.1
323.09290	19.6
323.13150	0.9
324.09711	1.4
327.05301	1.0
328.02399	0.7
328.05923	8.0
329.06699	100.0
330.06903	5.5
343.04758	1.1
371.08160	0.7
473.10791	0.9
477.10391	0.6
559.11072	0.6
637.17786	89.0
638.18256	7.9
653.17035	2.7
961.27557	32.0
962.27527	6.5
967.93579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69255	0.4
71.01391	1.3
71.47527	0.9
85.02960	1.4
87.00905	0.8
89.02471	0.5
93.03458	0.9
96.95972	0.4
99.00883	0.6
100.93791	0.4
101.02481	0.5
101.06097	4.4
105.03436	0.5
109.02955	1.1
113.02450	1.1
121.02962	1.0
125.02471	1.1
133.02965	7.6
133.03911	0.7
134.03722	0.6
135.04514	1.4
137.02449	0.9
147.04500	0.9
149.02428	1.1
161.02464	0.9
163.00380	1.6
163.03993	2.4
165.01950	1.5
173.04610	0.4
175.03926	2.2
177.01918	0.7
179.03456	0.4
189.01938	0.5
191.03514	1.8
191.05641	1.0
193.01451	1.2
193.05101	0.7
199.04033	1.6
201.01889	0.7
203.03459	0.5
211.03873	0.4
217.04903	0.6
221.04457	0.5
225.05621	0.6
227.03459	0.7
240.04411	0.8
241.05014	1.0
243.03114	0.5
249.06267	0.5
253.05074	0.5
255.06772	0.9
269.04544	1.0
271.06137	0.6
281.04480	0.5
284.03268	8.3
285.04074	6.2
286.04584	0.5
297.04068	14.1
298.04834	18.0
299.05624	20.1
300.06000	0.8
309.04153	1.5
311.02057	0.9
311.05624	3.0
313.03577	8.0
314.04224	0.5
325.03610	1.0
327.05127	96.9
328.05518	6.3
330.03778	0.7
339.05164	2.9
340.05313	0.5
341.06860	0.8
351.13034	3.9
357.06198	24.0
358.06448	1.5
369.06097	2.7
393.06091	1.3
430.98486	0.4
447.09369	54.9
448.09744	4.1
489.10413	7.8
490.10675	1.0
519.11383	2.6
531.11401	0.4
609.14648	100.0
610.15051	10.0
977.70795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	16.6
71.56219	2.6
72.99350	1.7
78.79070	1.7
82.63154	1.7
85.02973	2.9
87.00901	2.7
89.02448	12.7
89.02927	2.0
90.16020	1.6
96.96053	3.4
97.02982	2.8
101.02454	11.4
113.02456	6.4
119.03596	4.0
125.02427	3.4
136.89127	1.6
141.01709	3.4
143.03413	1.9
161.04527	3.3
179.05583	3.8
183.13889	9.1
193.12392	2.0
208.78255	1.9
211.13412	100.0
212.13657	2.9
235.08226	5.6
277.21732	51.5
278.22034	3.3
379.12408	11.4
379.20633	2.0
397.13626	35.0
415.14514	6.8
469.97940	1.8
591.26660	13.1
609.27441	10.4
675.35858	3.6
869.48236	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	961.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	0.6
78.95906	6.3
98.12169	0.5
110.98556	4.4
113.80695	0.5
119.89308	0.4
123.37462	0.4
125.32710	0.4
145.95192	0.4
167.01126	2.0
185.02225	3.6
227.93138	0.5
233.22751	0.6
251.05849	0.4
277.21738	100.0
278.22079	6.4
294.27515	0.6
444.31995	0.5
445.23639	46.2
446.24026	4.0
516.14557	0.5
588.01288	0.5
590.96613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01054	1.0
71.01392	4.1
71.56084	1.4
73.02950	1.5
85.02974	5.1
87.00910	1.9
89.02460	1.8
89.03979	1.3
93.03475	6.3
96.96027	12.1
99.00903	1.5
101.02491	2.9
107.05027	1.2
108.02191	2.4
109.02943	2.9
111.00893	1.3
111.86623	1.0
113.02477	2.2
116.92859	1.4
117.03502	2.7
119.05061	2.3
119.09625	1.0
121.02979	4.4
123.00901	1.8
130.08936	1.1
132.02185	2.0
133.02977	26.6
134.03770	22.9
135.04543	72.9
136.04880	1.8
137.02458	6.1
139.00374	1.1
145.02982	1.4
149.02461	6.6
149.06099	3.0
150.03241	2.4
151.00414	3.1
151.04008	2.0
152.01164	6.2
153.01897	2.5
153.05405	1.2
160.01711	4.1
161.02463	44.7
162.02965	1.8
163.04070	2.4
164.04790	2.9
165.01930	3.3
165.05606	1.3
166.02783	6.7
167.03523	3.1
173.04553	3.1
175.00383	4.6
175.03972	5.3
177.01936	1.7
178.02719	3.4
179.03525	43.7
179.07123	1.8
180.04144	3.5
181.05078	7.0
187.04140	1.0
190.02730	8.8
191.03458	2.1
191.05632	6.1
192.04306	1.7
193.05066	14.6
195.06622	3.8
205.05135	6.9
223.06129	4.2
265.07037	1.5
353.08725	1.5
367.10312	2.9
449.14728	2.1
455.72330	1.2
489.99368	1.7
567.18665	2.9
579.18860	1.2
597.19800	100.0
598.20020	11.2
623.26959	1.1
683.84045	1.4
759.25385	6.4
803.28369	1.6
823.54541	1.4
827.88306	1.3
965.30682	12.6
966.31641	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	967.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63893	1.1
71.01393	14.7
71.58498	1.4
73.02953	2.2
80.05054	2.1
83.01424	2.4
83.05003	1.3
85.02966	5.8
87.00885	3.1
88.98795	1.7
89.02455	11.8
93.03468	4.5
94.06638	2.7
96.96019	14.3
101.02466	8.4
106.06623	2.6
107.03803	8.3
109.02953	1.2
111.00868	1.9
113.02466	5.4
119.03493	4.3
119.05054	3.9
120.04572	1.8
120.08176	1.7
121.02940	1.4
122.06139	51.0
123.00905	1.5
125.02406	1.3
131.65199	1.2
132.04492	1.5
133.02960	4.0
134.03737	2.6
134.06136	9.8
135.04491	3.8
136.07655	1.2
137.02466	4.1
139.02742	5.1
143.03520	1.4
149.02492	2.8
150.03261	1.7
150.05635	2.1
152.01173	1.4
152.07190	76.3
153.07524	1.9
160.01662	1.6
160.04053	2.6
161.02519	7.5
161.04663	2.6
163.04044	4.6
164.04758	1.5
166.02654	1.7
173.04539	4.0
173.99724	1.2
175.00383	1.6
175.03984	2.5
177.01903	1.4
179.03517	1.9
179.05634	3.0
180.04115	2.0
181.05038	2.2
190.02721	2.1
190.05078	1.8
191.03627	1.3
191.05629	6.4
193.05013	3.3
205.05106	2.6
211.08698	1.6
213.10234	2.4
215.11931	3.9
223.08797	2.8
224.09569	2.0
225.10332	2.7
237.06674	3.7
237.10408	2.3
238.11028	1.3
239.11884	1.9
241.13466	4.1
249.06737	1.6
250.07524	2.6
251.08226	3.6
251.11993	1.6
261.10352	1.5
264.08945	2.4
265.09741	4.8
277.09872	1.6
278.10513	1.3
279.11343	3.8
281.12912	1.4
283.10873	2.0
287.13968	4.2
295.10870	1.8
305.09161	2.0
307.10873	3.0
316.57950	1.4
323.10321	1.9
325.12045	2.6
329.15033	2.6
330.12299	1.8
332.14008	1.7
339.13843	1.5
341.10925	3.5
342.15799	1.6
344.14078	2.8
346.15579	3.0
351.13306	1.1
355.13034	4.0
358.11694	3.0
358.15720	2.3
359.16483	1.9
360.17078	3.0
371.12918	1.3
372.17340	1.8
373.14230	1.5
374.14957	1.9
384.17215	2.3
386.15094	7.6
387.15778	1.6
400.16550	2.4
402.18332	2.2
412.12845	1.4
428.16238	4.4
440.16165	1.9
448.18826	1.6
459.18057	1.6
460.18781	7.4
472.18497	2.2
502.19620	1.5
504.21341	3.3
525.25195	2.2
551.22949	2.8
552.23956	1.7
570.25281	2.0
571.25653	4.1
593.24115	26.0
594.24493	3.0
611.25189	7.7
612.25269	1.6
625.26727	100.0
626.26758	12.9
643.27527	11.8
685.28693	5.3
745.30518	1.9
893.34705	1.8
894.36127	2.7
903.43359	1.6
935.35583	17.0
936.36053	1.9
967.38324	15.9
968.38049	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	967.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	0.6
71.01392	8.6
72.99316	0.9
73.02962	1.2
78.95900	0.8
82.79940	0.5
85.02966	1.6
87.00861	2.2
89.02451	7.7
94.27099	0.5
96.96011	1.3
97.02973	0.9
99.00894	0.9
101.02458	6.3
113.02441	2.9
119.03493	2.0
125.02464	2.6
143.03522	1.3
152.99570	0.9
161.04541	1.6
171.10323	0.8
179.05608	2.0
179.14413	0.6
195.13918	8.4
196.14418	0.6
201.11290	0.6
209.11839	0.4
211.13388	0.8
211.46893	0.4
221.06618	0.7
223.13396	5.2
228.13698	1.0
235.08176	1.9
255.23349	6.3
256.13190	1.8
256.23529	0.8
275.20148	5.4
276.20496	0.5
276.28925	0.5
277.21774	1.0
287.07721	0.7
291.19604	0.6
293.21259	100.0
294.21594	6.5
305.08786	0.6
309.20776	0.8
317.21210	0.6
323.09848	0.6
362.67538	0.6
379.12613	1.0
397.08286	1.0
397.13519	16.8
398.13879	1.2
415.14590	10.2
483.27304	4.2
484.27460	0.7
569.42120	1.7
673.33722	0.6
691.35345	2.5
747.48395	0.6
929.83508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	2.8
71.01395	12.8
73.02935	2.8
78.95886	3.0
80.05095	3.2
83.01384	3.2
85.02943	11.4
87.00901	3.3
87.07330	2.4
87.51249	2.3
88.98819	3.1
89.02465	5.3
93.03467	14.9
94.06626	2.7
96.96030	30.6
97.02917	3.0
98.95614	3.8
101.02457	8.3
106.06652	11.7
108.02192	94.7
109.02987	25.1
111.00886	3.3
113.02458	5.7
116.92855	3.1
117.03539	2.9
119.05045	27.4
120.05379	6.2
121.02929	10.2
122.06143	27.4
123.00903	3.1
123.04486	2.4
124.01692	3.1
125.02448	4.7
132.02193	2.7
133.02943	6.0
134.03772	5.3
134.06139	39.4
135.04492	9.2
137.02460	12.6
139.02705	2.7
145.02960	2.7
146.06136	2.8
148.04059	2.9
149.02464	4.4
151.03943	6.3
151.05836	2.5
152.01172	94.9
152.07188	32.2
153.01979	23.1
156.69894	2.6
160.01711	2.8
161.02391	2.8
163.04042	17.7
164.04492	5.5
165.01953	6.9
166.00208	2.5
173.04579	16.1
174.89543	2.3
175.04048	4.6
177.01929	7.5
179.03465	6.9
180.04248	3.0
181.04994	3.0
190.02748	6.5
191.05612	10.8
193.04970	3.7
205.05103	3.3
207.10173	2.8
227.11935	2.4
239.11806	4.0
251.08211	5.2
251.11928	3.2
265.09756	4.4
267.11398	7.0
277.09836	7.5
279.07669	4.5
279.11292	7.2
285.12357	5.4
286.12802	3.4
291.07758	3.1
292.08435	3.4
293.09326	10.0
295.10953	4.7
305.09344	3.7
307.10928	6.9
315.07196	20.1
321.08762	7.1
329.06607	3.5
333.08804	3.4
339.09787	4.4
351.09995	2.9
358.15579	2.8
368.10187	3.6
384.13431	11.3
398.14874	5.4
400.16608	5.4
412.16278	7.9
426.14844	3.0
438.14609	3.7
440.16013	4.7
444.15344	3.3
449.14584	5.7
458.17514	4.6
468.15604	8.1
486.16840	13.7
573.22046	3.0
591.22321	3.5
802.25208	17.1
834.27368	8.5
848.28247	6.7
907.30396	54.4
908.30603	9.4
939.33252	100.0
940.33093	19.5
971.35358	91.8
972.35876	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	971.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01408	11.5
71.56020	10.9
101.02467	9.2
144.95724	10.6
145.88403	10.1
185.13231	10.3
206.73030	8.6
277.21774	100.0
397.13467	44.3
450.82718	10.5
689.33618	11.2
971.54901	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5959
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99847	0.3
69.03439	1.0
71.01392	16.9
72.99307	1.2
73.02961	2.6
75.00881	0.4
78.52995	0.2
81.03463	0.8
83.01395	1.9
85.02966	4.0
87.00419	0.3
87.00893	3.9
89.02457	15.4
91.04041	0.4
93.83677	0.3
95.01404	1.0
96.96023	0.3
97.02969	2.8
98.19889	0.7
99.00870	1.0
100.52090	0.3
101.02458	14.1
103.04093	0.3
109.02953	0.4
111.04539	0.5
113.02470	6.5
115.04046	0.4
119.03510	4.4
125.02457	6.1
126.02753	0.3
127.59801	0.2
131.03465	0.8
133.05052	0.7
137.02307	0.3
139.04036	0.6
141.01894	0.4
143.03511	2.5
149.04613	0.5
161.04610	3.4
167.03574	0.4
167.10812	0.4
179.05655	2.9
179.14430	0.9
192.69295	0.2
195.13921	7.8
196.14670	0.5
205.12340	0.8
205.15919	0.6
211.13458	0.7
221.06723	1.3
223.13408	6.1
224.13661	0.3
228.13715	0.9
229.16104	0.3
231.21227	0.3
235.08247	7.2
235.10645	0.4
237.38710	0.3
239.12830	0.4
245.06752	0.5
249.18452	0.3
253.09265	1.3
256.13248	1.5
261.21988	0.4
263.07617	0.5
265.21869	0.7
275.20178	4.4
276.46768	0.3
277.09222	0.5
279.23315	47.1
280.23700	2.4
287.07693	2.6
293.21262	100.0
294.18518	0.2
294.21588	5.3
305.08737	2.9
323.09869	1.1
397.13541	73.4
398.13895	2.4
415.14615	25.5
416.14859	1.2
677.37408	3.5
678.37866	0.4
719.80963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.4
69.31636	4.9
71.01389	22.4
72.99315	2.5
73.02969	4.5
81.03460	1.6
83.01403	3.3
85.02960	5.1
87.00893	5.7
89.02454	21.5
91.04006	0.7
95.01395	1.7
96.96016	1.8
97.02975	4.8
97.06565	0.7
99.00878	1.3
101.02451	19.8
109.06654	0.7
111.00884	0.9
111.04498	1.3
113.02463	10.6
113.09736	10.4
116.92885	0.7
119.03511	6.1
121.02917	0.8
125.02460	9.3
125.82775	0.6
131.03491	1.1
133.05058	1.1
139.03972	0.7
139.11290	1.4
143.03532	3.9
161.04578	4.4
167.10802	2.1
172.62111	0.7
179.05620	4.6
179.10753	1.4
195.13902	1.4
217.07210	0.8
221.06729	1.2
221.15457	1.2
221.53130	0.6
235.08263	9.4
249.22369	1.0
253.09261	1.6
255.23355	2.0
263.07883	0.9
275.20117	1.2
277.09183	0.8
277.21756	3.0
281.24884	68.6
282.25177	4.1
287.07672	3.2
293.21255	57.0
294.21619	2.9
305.08923	3.5
323.09802	1.2
379.12543	1.7
397.13531	100.0
398.13959	5.0
415.14597	32.3
416.14832	2.6
679.38818	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	977.258
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88392	0.7
70.88731	0.3
71.01396	2.6
81.03438	0.3
81.35722	0.3
83.01378	0.4
83.99672	0.3
85.02943	1.2
88.72283	0.3
89.02444	1.4
93.03462	5.5
96.96014	0.8
99.00893	0.3
99.71910	0.3
101.02441	1.2
109.02982	0.7
111.00870	1.0
111.04540	1.1
112.77830	0.3
113.02464	0.7
117.03481	0.5
121.02987	0.7
133.02969	3.8
134.03749	4.2
135.00819	0.3
135.04449	0.6
137.02472	1.1
152.01155	0.3
153.01709	0.3
155.03496	0.5
161.02388	0.6
163.00375	1.0
173.04561	17.7
174.04805	0.4
175.00348	1.6
175.04044	0.5
191.01891	0.4
191.05602	1.1
193.05037	2.7
199.04114	0.6
201.01985	0.6
211.03958	0.4
225.05728	0.4
237.05623	0.5
253.04979	0.8
255.03114	0.5
263.03241	0.3
269.04544	0.8
270.05341	0.6
281.04504	0.5
282.05310	0.7
284.03238	2.1
285.04019	5.8
286.04388	0.5
293.04703	0.3
297.04059	7.6
298.04834	31.6
299.05368	3.5
309.04068	17.3
309.07700	0.7
310.04477	1.5
311.05521	1.8
323.05533	0.5
325.03671	1.6
326.04349	2.4
327.05078	10.1
328.05591	0.4
330.03925	2.7
337.03625	0.6
338.04324	1.0
339.05109	4.3
341.06689	0.8
351.05167	2.0
353.02991	1.4
357.06140	5.1
358.06427	0.6
367.06229	0.5
367.10394	4.9
369.06198	2.0
371.09375	0.5
381.06210	1.1
393.06107	0.4
399.07507	0.4
411.07040	0.6
429.08212	6.8
430.08835	0.4
447.09354	1.2
489.10422	10.4
490.11081	0.5
609.14642	100.0
610.14905	8.5
818.65692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76218	1.8
71.01385	2.4
73.02962	0.9
79.90921	0.3
83.01397	0.5
84.01119	0.3
85.02957	1.8
87.00883	1.0
88.98824	0.5
89.02430	0.6
93.03471	4.8
95.01390	0.5
96.96015	3.3
97.02963	0.4
101.02426	1.5
108.02216	0.8
109.02976	0.7
111.00876	0.4
111.04545	0.5
113.02452	1.5
117.03481	1.2
119.05058	0.7
120.78717	0.3
121.02972	0.7
123.04527	0.6
125.02477	0.7
132.02187	32.2
133.03011	2.3
134.03760	19.2
135.04599	2.1
136.01649	0.6
137.02448	2.4
139.04053	0.4
143.03641	0.3
148.05391	0.3
148.19859	0.3
149.02478	0.5
149.06102	2.6
150.03255	0.6
160.01675	100.0
161.02390	5.5
161.04628	0.3
165.01903	0.5
165.05573	0.4
166.02708	0.3
167.03543	0.6
173.02303	0.3
173.04579	3.4
175.04016	86.1
176.04366	2.9
178.02705	3.1
179.03534	2.2
180.04256	0.5
183.01826	0.3
187.03891	0.4
190.02759	0.8
191.01939	0.4
191.05615	1.7
192.04291	0.4
193.05072	12.6
195.06648	0.4
202.02763	0.4
205.05072	0.8
207.06570	0.3
208.03909	0.3
209.02988	0.3
223.06042	0.5
229.01430	0.5
231.10255	0.4
235.06197	0.6
247.06190	0.7
265.07181	1.0
272.47870	0.3
275.09354	1.3
307.12213	0.4
319.08267	0.8
337.09332	0.8
449.14615	0.9
481.17505	1.5
513.14093	1.3
533.22894	0.4
545.50629	0.3
578.34229	0.3
583.16718	1.2
601.17816	1.8
625.17523	1.5
629.15680	0.3
643.18695	2.6
717.20667	0.7
735.21765	0.6
759.21570	3.5
760.22009	0.6
777.22601	8.4
778.23083	1.4
819.23608	51.7
820.23901	7.9
981.30182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.4
69.71600	0.3
70.29795	1.4
71.01385	2.9
73.02947	1.2
74.24832	0.3
81.03447	0.5
83.01403	1.1
85.02978	2.0
87.00880	0.9
88.98769	0.6
89.02435	1.0
89.03967	0.6
93.03469	3.2
95.01411	0.4
96.96013	3.4
97.03011	0.6
101.02435	1.7
104.72742	0.3
108.02190	1.4
109.02993	0.8
113.02457	1.8
117.03495	1.0
119.05035	1.0
121.02972	0.8
125.02469	0.7
132.02184	27.5
133.03026	2.3
134.03760	17.9
135.04561	2.0
137.02451	4.0
139.04007	0.5
139.75136	0.4
143.03470	0.7
145.02933	0.5
147.04549	0.6
149.02455	0.5
149.06100	3.1
150.03246	0.6
151.04013	0.4
152.01175	0.7
159.04544	0.6
160.01672	100.0
161.02457	5.2
163.03932	0.8
165.01971	0.6
165.05569	0.5
166.02757	0.8
167.03462	0.5
173.04585	1.5
174.03265	0.5
175.04010	86.1
176.04402	2.6
177.01987	0.7
178.02756	3.3
179.03517	1.2
181.05116	0.7
187.04109	0.5
189.05707	0.3
190.02715	0.7
191.05603	2.7
191.07162	0.6
193.05061	13.8
194.05519	0.5
195.06624	0.7
203.03540	0.4
209.02974	0.6
228.31606	0.4
229.01335	0.4
235.06085	0.5
247.06125	0.9
265.07263	1.1
268.53754	0.4
271.09717	0.9
275.09338	0.6
281.06711	1.6
299.01709	0.5
310.98535	0.4
319.08286	0.8
337.09427	1.4
449.14679	0.4
513.13965	1.1
601.17688	1.3
625.17841	1.5
643.19104	2.3
699.22522	1.0
717.22180	0.4
759.21637	3.4
777.22656	7.2
778.22754	1.1
819.23615	54.8
820.23950	7.6
861.24976	0.8
981.30341	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	985.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.7
69.30807	3.1
71.01392	14.0
72.99301	0.5
73.02957	14.9
78.93273	0.3
83.01395	5.1
85.02966	3.1
87.00895	0.7
89.02454	4.4
93.03478	1.2
95.01404	1.0
96.96030	1.4
101.02456	17.1
108.02213	0.4
113.02458	6.3
113.42954	0.3
119.03522	2.3
125.02467	0.7
131.03516	1.6
133.02881	0.5
134.03778	1.0
143.03510	2.0
149.04588	3.2
155.03491	0.8
160.01633	0.8
160.84473	0.3
161.04555	5.7
162.03241	0.4
166.75937	0.3
173.04611	1.6
179.03535	0.5
179.05566	0.7
189.05600	0.5
191.01773	0.4
191.05620	0.9
198.03319	0.8
200.01164	0.5
202.02734	1.0
203.05669	1.1
214.02759	0.4
221.06689	2.1
226.02747	2.1
231.10335	0.5
234.69635	0.4
242.02240	1.2
243.03021	4.4
256.02994	0.4
261.13580	0.5
270.01752	5.6
271.02515	10.8
271.05466	0.7
272.02762	0.5
273.61649	0.3
274.01321	0.4
275.09351	2.1
282.05362	0.6
284.03442	0.6
285.04092	12.5
286.04233	0.4
297.04047	0.5
299.02017	23.0
300.02618	2.9
303.14584	1.1
309.04187	0.4
312.02817	0.5
313.03549	14.6
314.04343	22.1
315.05054	4.6
327.05103	1.2
328.02121	0.6
328.05850	4.8
329.06683	48.2
330.07019	2.3
343.04498	0.3
369.06326	0.4
449.14590	1.3
477.10110	0.6
510.28830	0.4
607.13226	0.9
637.17792	100.0
638.18097	8.9
874.24084	0.4
960.52081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	0.7
71.01388	6.2
71.56506	0.5
72.99315	0.7
75.00888	1.0
83.01392	0.8
84.02170	1.8
85.02956	67.5
86.03318	0.9
87.00871	1.2
89.02457	3.1
93.03471	1.5
95.01431	0.6
96.96010	1.3
100.81490	0.3
101.02451	0.9
103.00362	1.6
109.03008	0.5
111.00909	0.8
115.00360	0.6
123.04575	0.4
129.01953	5.4
133.01430	3.6
133.03011	0.6
134.03740	0.7
135.00876	1.2
135.04547	5.0
137.02449	0.7
147.02998	8.0
153.01920	0.6
161.02469	1.1
167.03496	1.0
173.00951	1.0
173.04579	1.3
179.03525	3.2
191.01988	29.0
191.05576	2.9
192.02386	0.5
193.04959	0.4
209.03035	100.0
210.03311	2.0
283.05988	0.4
311.05496	0.4
335.04193	0.9
353.05121	4.7
371.06207	66.0
372.06577	3.2
431.10043	0.8
442.96295	0.3
494.92325	0.3
522.44739	0.3
533.09192	3.9
622.17456	0.4
793.24731	0.4
866.32959	0.3
895.33136	0.4
969.45105	0.3
985.30353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.6
71.01395	5.0
71.56268	0.4
72.99283	0.5
73.02956	1.0
76.22901	0.3
79.66924	0.2
81.03471	0.3
83.01438	0.3
83.05033	0.7
85.02965	1.2
87.00863	1.3
88.68391	0.3
89.02456	4.1
90.80833	0.3
95.01392	0.4
97.02965	1.5
97.06592	0.4
99.00929	0.4
101.02462	4.0
107.08650	0.4
109.06615	0.5
111.08154	1.0
113.02473	1.7
116.57153	0.2
119.03485	1.5
123.08160	0.6
125.02426	1.9
125.09755	1.9
127.11282	1.1
135.08130	0.3
137.09744	0.7
139.11267	0.6
141.12918	0.4
143.03529	0.7
143.10814	0.3
149.09680	0.3
151.07617	0.7
151.11319	1.1
151.59662	0.3
153.09248	1.0
153.12857	2.1
155.10837	0.9
155.14471	0.3
161.04585	1.0
165.09315	0.3
167.10751	1.4
169.12334	1.0
171.10271	1.0
171.13791	0.3
179.05618	1.0
179.10849	0.5
179.14447	1.4
181.12402	1.8
181.97467	0.3
183.13818	0.3
185.11897	0.5
193.12381	0.3
193.15956	0.7
197.11795	1.5
199.09756	1.5
199.13458	0.8
200.10585	0.9
201.11346	1.3
207.13872	0.8
209.11896	0.3
209.15480	0.7
213.11292	0.4
215.12906	0.6
219.17526	0.5
221.06662	0.3
227.12971	0.6
228.13742	0.4
235.08250	2.0
245.18982	0.6
247.20705	4.6
253.09372	0.4
263.20184	1.0
265.21658	0.7
273.18704	1.8
277.21756	10.7
278.22021	1.4
281.21243	1.2
287.07809	0.5
291.19684	19.0
292.20157	0.9
296.20020	0.3
305.08871	1.0
307.19153	1.7
308.19455	1.2
309.20734	100.0
310.21088	5.3
397.13519	17.7
398.13824	1.2
399.14316	0.5
415.14545	5.9
416.14948	0.6
559.22998	0.3
560.63782	0.3
675.36542	0.5
758.73499	0.3
863.36456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.0
71.01395	22.3
71.56034	0.7
72.99313	1.7
73.02962	3.6
80.02682	3.1
81.03476	2.6
83.01394	2.9
83.05044	8.1
84.02157	4.0
85.02962	4.5
87.00895	6.6
89.02454	16.6
90.54935	0.7
95.01402	2.0
96.96024	2.5
97.02962	3.5
97.06606	0.9
99.00917	1.3
99.08174	1.8
100.52525	0.8
101.02461	17.5
104.90055	0.7
113.02463	7.4
115.07697	1.2
119.03525	6.3
120.21735	0.8
125.02473	8.7
125.09739	1.0
127.04002	0.9
127.11301	1.9
137.09732	13.9
139.04001	0.9
139.11296	2.4
143.03510	2.6
143.36801	0.8
151.11317	1.5
153.09227	2.7
155.10818	11.7
161.04585	4.3
171.10291	15.5
179.05629	4.4
191.05664	1.0
191.84808	0.8
193.12370	6.7
200.37801	0.9
209.11778	0.8
209.15515	1.3
211.13417	1.8
215.10173	0.8
221.06662	2.0
226.07814	0.9
235.08232	8.7
247.20654	1.9
253.09367	2.2
263.20142	1.5
265.21762	1.1
277.21741	51.9
278.22028	2.8
287.07779	3.5
291.19659	14.6
292.20160	1.1
305.08731	3.3
308.19104	1.3
309.17465	2.2
309.20731	54.7
310.17459	0.8
310.21106	3.5
323.09937	1.9
397.13538	100.0
398.13867	4.3
415.14597	34.0
416.15268	0.9
541.63354	0.8
675.36407	4.0
818.51532	0.9
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
69.24959	1.9
69.25381	1.2
71.01395	2.1
72.99342	0.3
82.80231	0.3
83.01405	0.3
83.05022	0.6
87.00865	0.5
89.02455	1.4
92.47878	0.4
96.96021	0.8
97.06583	0.4
101.02451	1.8
109.08683	0.3
113.02442	0.6
115.07676	0.7
119.03520	0.5
125.02449	0.7
127.07638	0.4
128.08455	0.3
137.09793	0.5
138.10094	0.4
161.04623	0.4
164.50629	0.4
167.14444	1.9
171.10268	0.4
183.13924	1.5
187.12291	0.4
195.13922	8.4
211.13420	1.3
212.41180	0.3
213.15001	1.2
235.08287	0.8
239.23753	0.4
242.15236	0.7
249.22104	0.6
265.21805	0.5
267.23315	0.6
275.20248	0.7
277.21753	4.0
278.22079	0.9
293.21234	7.0
294.21478	0.5
309.20721	1.8
310.21054	0.7
311.22308	100.0
312.22562	4.9
383.78891	0.4
397.13498	6.5
398.13739	1.7
415.14542	2.2
416.14908	0.6
417.52948	0.4
729.17029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.5
70.66164	0.2
70.85802	0.3
70.86159	0.5
71.01391	7.9
72.99313	0.6
73.02954	1.4
83.01389	0.7
83.26022	0.3
85.02959	2.1
87.00883	2.2
89.01931	0.5
89.02454	8.1
89.03008	0.4
95.01393	0.7
97.02947	1.5
99.00903	0.5
99.08173	0.5
101.02454	6.7
113.02457	3.6
113.09791	0.4
119.03519	2.1
121.10224	0.6
123.08150	0.5
125.02457	3.3
125.09732	1.3
127.11316	2.5
129.09224	1.3
131.03484	0.5
137.09734	0.7
139.11288	4.9
141.12909	0.4
143.03479	1.1
151.11313	0.4
153.09261	0.4
155.10765	1.5
161.04578	1.7
165.09184	0.6
169.12273	0.8
171.10283	27.7
172.10680	0.5
179.05620	1.2
181.12386	1.3
183.10297	1.7
183.13855	0.4
185.04674	0.2
185.11818	4.2
193.12277	0.5
197.11864	2.0
199.13388	1.0
201.11325	5.2
211.13417	4.4
221.06589	0.7
235.08235	3.1
249.22142	0.3
253.09253	0.7
265.21677	0.4
275.20181	2.3
276.20679	0.3
277.21738	20.4
278.22015	1.0
278.63818	0.3
287.07849	1.5
293.21246	8.8
294.21579	0.5
305.08804	1.5
311.22299	100.0
312.22647	5.8
323.09824	0.5
332.37643	0.3
397.13525	38.2
398.14023	1.6
415.14594	12.1
416.14981	0.5
416.97958	0.3
580.92090	0.3
675.35962	1.7
894.94757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23707	2.6
71.01366	1.0
74.84158	0.3
77.04013	0.7
79.01885	0.4
83.01386	0.6
85.02975	2.3
93.03452	1.4
96.96027	0.7
97.02953	0.7
101.02461	0.5
105.03447	0.5
107.01421	0.4
107.08221	0.4
108.02168	1.4
109.02963	2.7
113.02437	0.8
119.05038	1.1
121.03002	1.8
122.94405	0.3
123.00929	0.4
123.04544	1.7
125.02445	1.2
129.01898	0.4
132.02199	0.4
133.02962	10.6
134.03708	0.5
135.00882	0.5
135.04546	3.9
137.02417	1.0
143.61334	0.3
145.02957	0.6
147.03023	0.3
147.04510	1.5
148.01636	0.6
149.02417	1.3
151.00415	0.8
151.04027	0.6
152.01320	0.4
155.03456	0.4
158.03729	1.3
159.04433	1.0
161.02422	2.5
161.04514	0.5
163.00383	1.6
163.04041	3.2
165.01935	2.0
169.66371	0.4
171.04456	0.4
173.02437	0.4
173.04553	1.8
173.06100	1.2
175.03981	3.5
177.01898	1.3
179.03490	2.4
185.06174	0.4
188.04825	0.4
191.00406	0.3
191.02177	1.5
191.03551	1.7
191.05611	5.7
193.01422	1.4
198.03273	0.5
199.03973	1.3
200.04640	0.6
201.01949	1.4
202.02783	0.7
203.03453	1.0
209.03032	0.6
209.06096	0.3
211.04013	0.8
211.07594	0.4
212.04736	0.4
213.05507	0.9
215.03482	0.4
216.04228	1.0
217.05077	2.5
225.05618	0.7
226.02924	0.3
227.03400	0.6
229.01347	1.0
229.05057	0.4
231.06686	1.0
237.05617	0.9
238.06416	0.4
239.07124	0.5
240.04305	0.9
241.05089	1.4
243.02937	0.9
253.05017	1.3
254.05652	0.4
255.02913	0.9
255.06702	1.3
256.03702	0.6
257.04370	0.5
265.05023	1.3
267.06662	6.1
268.07050	0.5
269.04590	1.2
271.06018	0.5
280.07169	0.5
281.05054	0.5
281.08212	2.3
282.09018	4.3
283.06314	0.7
283.09634	1.0
284.03287	9.3
285.04065	6.7
286.04233	0.4
297.04083	15.5
297.07562	0.8
297.11279	2.4
298.04822	9.7
299.05609	19.7
300.05920	1.0
309.04062	1.0
310.04941	0.5
311.05682	3.1
323.09360	0.4
324.02908	0.6
325.03467	1.2
325.07251	1.7
326.07977	6.3
327.05109	100.0
328.05466	5.1
339.05161	4.0
339.08807	0.4
340.09549	0.8
341.06726	1.1
341.10309	18.9
342.10651	1.0
352.05704	0.5
353.08728	1.5
355.08008	0.6
355.11923	4.3
357.06165	26.4
358.06570	1.4
365.10522	0.5
367.08179	5.0
368.08972	0.8
369.06091	2.3
383.11447	6.2
384.11945	0.4
385.07703	1.2
393.06131	1.1
411.07224	0.5
413.12442	26.9
414.12631	2.1
447.09348	86.9
448.09692	6.3
547.14789	4.4
639.35413	0.4
641.15900	0.4
995.33972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.57
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21741	100.0
72.79749	24.1
104.94132	25.0
109.83340	30.6
111.01367	24.4
134.56566	24.0
278.22000	26.5
300.86157	25.6
370.13156	30.0
END